USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 825 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 937 ASN : amide:sc= 2.43 K(o=4.5,f=-6.2!) USER MOD Set 1.2: A 939 SER OG : rot 180:sc= -0.0492 USER MOD Set 1.3: A 954 THR OG1 : rot 89:sc= 1.19 USER MOD Set 1.4: A1018 HIS : no HD1:sc= 0.917 K(o=4.5,f=-2.6!) USER MOD Set 2.1: A 936 GLN : amide:sc= 0.873 K(o=1.5,f=-8.1!) USER MOD Set 2.2: A 953 TYR OH : rot 180:sc= 0.632 USER MOD Single : A 927 HIS : no HE2:sc= 1.15 K(o=1.2,f=-4.7!) USER MOD Single : A 928 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 931 THR OG1 : rot 180:sc= -1.76! USER MOD Single : A 935 TYR OH : rot -3:sc= 0.414 USER MOD Single : A 941 TYR OH : rot 180:sc= 0 USER MOD Single : A 947 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 952 THR OG1 : rot 180:sc= 0 USER MOD Single : A 957 ASN : amide:sc= 1.13 K(o=1.1,f=-0.091) USER MOD Single : A 960 LYS NZ :NH3+ -176:sc= 0.84 (180deg=0.806) USER MOD Single : A 963 SER OG : rot -109:sc= 1.71 USER MOD Single : A 965 SER OG : rot 180:sc= 0 USER MOD Single : A 968 THR OG1 : rot 180:sc= 0.00875 USER MOD Single : A 969 CYS SG : rot -125:sc= 0.12 USER MOD Single : A 981 SER OG : rot 180:sc= 0 USER MOD Single : A 982 TYR OH : rot 180:sc= 0 USER MOD Single : A 985 ASN : amide:sc= -0.798 K(o=-0.8,f=-0.25) USER MOD Single : A 991 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 995 TYR OH : rot 180:sc= 0 USER MOD Single : A 998 THR OG1 : rot 180:sc= 0 USER MOD Single : A1003 HIS : no HD1:sc= -0.736 X(o=-0.74,f=-0.26) USER MOD Single : A1004 LYS NZ :NH3+ -179:sc= 1.22 (180deg=1.18) USER MOD Single : A1006 LYS NZ :NH3+ -122:sc= 1.12 (180deg=-0.52) USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1013 LYS NZ :NH3+ 163:sc=-0.00919 (180deg=-0.194) USER MOD Single : A1014 MET CE :methyl 145:sc= -0.297 (180deg=-0.956) USER MOD Single : A1015 TYR OH : rot 180:sc= 0 USER MOD Single : A1016 HIS : no HE2:sc= -9.81! C(o=-9.8!,f=-14!) USER MOD Single : A1017 THR OG1 : rot -110:sc= -1.04 USER MOD Single : A1026 LYS NZ :NH3+ 157:sc= 0.684 (180deg=-0.524) USER MOD Single : A1028 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1029 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1032 THR OG1 : rot 180:sc= 0.0449 USER MOD Single : A1033 GLN : amide:sc= -4.07! C(o=-4.1!,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 121 N HIS A 927 -0.688 -19.387 13.853 1.00 0.00 N ATOM 122 CA HIS A 927 -0.426 -19.040 12.471 1.00 0.00 C ATOM 123 C HIS A 927 0.723 -18.061 12.515 1.00 0.00 C ATOM 124 O HIS A 927 1.571 -18.100 13.407 1.00 0.00 O ATOM 125 CB HIS A 927 -1.591 -18.300 11.765 1.00 0.00 C ATOM 126 CG HIS A 927 -2.989 -18.684 12.163 1.00 0.00 C ATOM 127 ND1 HIS A 927 -3.656 -19.784 11.681 1.00 0.00 N ATOM 128 CD2 HIS A 927 -3.848 -18.082 13.015 1.00 0.00 C ATOM 129 CE1 HIS A 927 -4.854 -19.845 12.225 1.00 0.00 C ATOM 130 NE2 HIS A 927 -5.002 -18.822 13.041 1.00 0.00 N ATOM 0 HA HIS A 927 -0.247 -19.964 11.921 1.00 0.00 H new ATOM 0 HB2 HIS A 927 -1.470 -17.232 11.943 1.00 0.00 H new ATOM 0 HB3 HIS A 927 -1.490 -18.457 10.691 1.00 0.00 H new ATOM 0 HD1 HIS A 927 -3.281 -20.451 11.006 1.00 0.00 H new ATOM 0 HD2 HIS A 927 -3.659 -17.179 13.576 1.00 0.00 H new ATOM 0 HE1 HIS A 927 -5.593 -20.608 12.033 1.00 0.00 H new ATOM 139 N THR A 928 0.747 -17.224 11.519 1.00 0.00 N ATOM 140 CA THR A 928 1.587 -16.071 11.428 1.00 0.00 C ATOM 141 C THR A 928 0.951 -15.330 10.291 1.00 0.00 C ATOM 142 O THR A 928 0.844 -15.899 9.223 1.00 0.00 O ATOM 143 CB THR A 928 3.020 -16.386 10.992 1.00 0.00 C ATOM 144 OG1 THR A 928 3.454 -17.647 11.521 1.00 0.00 O ATOM 145 CG2 THR A 928 3.970 -15.302 11.469 1.00 0.00 C ATOM 0 H THR A 928 0.145 -17.337 10.703 1.00 0.00 H new ATOM 0 HA THR A 928 1.661 -15.563 12.389 1.00 0.00 H new ATOM 0 HB THR A 928 3.029 -16.432 9.903 1.00 0.00 H new ATOM 0 HG1 THR A 928 4.372 -17.827 11.227 1.00 0.00 H new ATOM 0 HG21 THR A 928 4.985 -15.541 11.151 1.00 0.00 H new ATOM 0 HG22 THR A 928 3.672 -14.344 11.043 1.00 0.00 H new ATOM 0 HG23 THR A 928 3.936 -15.241 12.557 1.00 0.00 H new ATOM 153 N GLU A 929 0.414 -14.181 10.501 1.00 0.00 N ATOM 154 CA GLU A 929 -0.154 -13.450 9.406 1.00 0.00 C ATOM 155 C GLU A 929 0.123 -11.965 9.604 1.00 0.00 C ATOM 156 O GLU A 929 -0.005 -11.446 10.717 1.00 0.00 O ATOM 157 CB GLU A 929 -1.659 -13.728 9.251 1.00 0.00 C ATOM 158 CG GLU A 929 -2.529 -13.252 10.366 1.00 0.00 C ATOM 159 CD GLU A 929 -2.360 -13.971 11.688 1.00 0.00 C ATOM 160 OE1 GLU A 929 -2.373 -15.223 11.719 1.00 0.00 O ATOM 161 OE2 GLU A 929 -2.187 -13.287 12.713 1.00 0.00 O ATOM 0 H GLU A 929 0.352 -13.723 11.410 1.00 0.00 H new ATOM 0 HA GLU A 929 0.314 -13.782 8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 929 -2.001 -13.264 8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 929 -1.800 -14.803 9.139 1.00 0.00 H new ATOM 0 HG2 GLU A 929 -2.336 -12.191 10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 929 -3.569 -13.344 10.054 1.00 0.00 H new ATOM 168 N PHE A 930 0.522 -11.281 8.559 1.00 0.00 N ATOM 169 CA PHE A 930 0.870 -9.875 8.629 1.00 0.00 C ATOM 170 C PHE A 930 0.285 -9.170 7.412 1.00 0.00 C ATOM 171 O PHE A 930 0.274 -9.733 6.317 1.00 0.00 O ATOM 172 CB PHE A 930 2.402 -9.746 8.670 1.00 0.00 C ATOM 173 CG PHE A 930 2.942 -8.344 8.580 1.00 0.00 C ATOM 174 CD1 PHE A 930 2.869 -7.476 9.655 1.00 0.00 C ATOM 175 CD2 PHE A 930 3.539 -7.899 7.410 1.00 0.00 C ATOM 176 CE1 PHE A 930 3.374 -6.192 9.564 1.00 0.00 C ATOM 177 CE2 PHE A 930 4.047 -6.617 7.316 1.00 0.00 C ATOM 178 CZ PHE A 930 3.964 -5.762 8.394 1.00 0.00 C ATOM 0 H PHE A 930 0.616 -11.684 7.627 1.00 0.00 H new ATOM 0 HA PHE A 930 0.462 -9.412 9.528 1.00 0.00 H new ATOM 0 HB2 PHE A 930 2.761 -10.195 9.596 1.00 0.00 H new ATOM 0 HB3 PHE A 930 2.819 -10.330 7.850 1.00 0.00 H new ATOM 0 HD1 PHE A 930 2.412 -7.805 10.576 1.00 0.00 H new ATOM 0 HD2 PHE A 930 3.608 -8.563 6.561 1.00 0.00 H new ATOM 0 HE1 PHE A 930 3.306 -5.525 10.411 1.00 0.00 H new ATOM 0 HE2 PHE A 930 4.509 -6.285 6.398 1.00 0.00 H new ATOM 0 HZ PHE A 930 4.359 -4.760 8.323 1.00 0.00 H new ATOM 188 N THR A 931 -0.275 -7.998 7.613 1.00 0.00 N ATOM 189 CA THR A 931 -0.837 -7.224 6.511 1.00 0.00 C ATOM 190 C THR A 931 0.270 -6.557 5.688 1.00 0.00 C ATOM 191 O THR A 931 1.163 -5.917 6.248 1.00 0.00 O ATOM 192 CB THR A 931 -1.798 -6.131 7.032 1.00 0.00 C ATOM 193 OG1 THR A 931 -2.715 -6.711 7.970 1.00 0.00 O ATOM 194 CG2 THR A 931 -2.583 -5.495 5.876 1.00 0.00 C ATOM 0 H THR A 931 -0.357 -7.553 8.527 1.00 0.00 H new ATOM 0 HA THR A 931 -1.390 -7.920 5.880 1.00 0.00 H new ATOM 0 HB THR A 931 -1.208 -5.354 7.518 1.00 0.00 H new ATOM 0 HG1 THR A 931 -3.324 -6.019 8.303 1.00 0.00 H new ATOM 0 HG21 THR A 931 -3.252 -4.729 6.268 1.00 0.00 H new ATOM 0 HG22 THR A 931 -1.887 -5.042 5.170 1.00 0.00 H new ATOM 0 HG23 THR A 931 -3.168 -6.262 5.368 1.00 0.00 H new ATOM 202 N ASP A 932 0.184 -6.656 4.370 1.00 0.00 N ATOM 203 CA ASP A 932 1.167 -6.025 3.507 1.00 0.00 C ATOM 204 C ASP A 932 0.437 -4.901 2.807 1.00 0.00 C ATOM 205 O ASP A 932 -0.802 -4.896 2.785 1.00 0.00 O ATOM 206 CB ASP A 932 1.770 -6.959 2.449 1.00 0.00 C ATOM 207 CG ASP A 932 3.201 -6.562 2.141 1.00 0.00 C ATOM 208 OD1 ASP A 932 3.434 -5.455 1.607 1.00 0.00 O ATOM 209 OD2 ASP A 932 4.132 -7.316 2.497 1.00 0.00 O ATOM 0 H ASP A 932 -0.552 -7.164 3.879 1.00 0.00 H new ATOM 0 HA ASP A 932 2.007 -5.697 4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 932 1.741 -7.989 2.806 1.00 0.00 H new ATOM 0 HB3 ASP A 932 1.172 -6.920 1.539 1.00 0.00 H new ATOM 214 N GLU A 933 1.152 -3.977 2.222 1.00 0.00 N ATOM 215 CA GLU A 933 0.537 -2.804 1.656 1.00 0.00 C ATOM 216 C GLU A 933 1.383 -2.296 0.489 1.00 0.00 C ATOM 217 O GLU A 933 2.599 -2.520 0.443 1.00 0.00 O ATOM 218 CB GLU A 933 0.445 -1.761 2.756 1.00 0.00 C ATOM 219 CG GLU A 933 1.804 -1.204 3.158 1.00 0.00 C ATOM 220 CD GLU A 933 1.784 -0.410 4.432 1.00 0.00 C ATOM 221 OE1 GLU A 933 1.585 -1.013 5.507 1.00 0.00 O ATOM 222 OE2 GLU A 933 1.983 0.818 4.385 1.00 0.00 O ATOM 0 H GLU A 933 2.167 -4.014 2.124 1.00 0.00 H new ATOM 0 HA GLU A 933 -0.459 -3.026 1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 933 -0.193 -0.943 2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 933 -0.034 -2.203 3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 933 2.506 -2.030 3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 933 2.179 -0.572 2.353 1.00 0.00 H new ATOM 229 N VAL A 934 0.743 -1.670 -0.465 1.00 0.00 N ATOM 230 CA VAL A 934 1.421 -1.050 -1.582 1.00 0.00 C ATOM 231 C VAL A 934 0.721 0.268 -1.821 1.00 0.00 C ATOM 232 O VAL A 934 -0.280 0.542 -1.170 1.00 0.00 O ATOM 233 CB VAL A 934 1.388 -1.968 -2.832 1.00 0.00 C ATOM 234 CG1 VAL A 934 0.000 -2.102 -3.436 1.00 0.00 C ATOM 235 CG2 VAL A 934 2.419 -1.584 -3.888 1.00 0.00 C ATOM 0 H VAL A 934 -0.272 -1.574 -0.492 1.00 0.00 H new ATOM 0 HA VAL A 934 2.477 -0.886 -1.370 1.00 0.00 H new ATOM 0 HB VAL A 934 1.670 -2.954 -2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 934 0.044 -2.756 -4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 934 -0.679 -2.527 -2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 934 -0.362 -1.119 -3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 934 2.343 -2.265 -4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 934 2.233 -0.564 -4.224 1.00 0.00 H new ATOM 0 HG23 VAL A 934 3.419 -1.648 -3.460 1.00 0.00 H new ATOM 245 N TYR A 935 1.204 1.068 -2.726 1.00 0.00 N ATOM 246 CA TYR A 935 0.653 2.373 -2.949 1.00 0.00 C ATOM 247 C TYR A 935 0.614 2.626 -4.429 1.00 0.00 C ATOM 248 O TYR A 935 1.492 2.177 -5.148 1.00 0.00 O ATOM 249 CB TYR A 935 1.467 3.436 -2.222 1.00 0.00 C ATOM 250 CG TYR A 935 1.266 3.440 -0.715 1.00 0.00 C ATOM 251 CD1 TYR A 935 1.963 2.567 0.110 1.00 0.00 C ATOM 252 CD2 TYR A 935 0.341 4.292 -0.127 1.00 0.00 C ATOM 253 CE1 TYR A 935 1.738 2.538 1.470 1.00 0.00 C ATOM 254 CE2 TYR A 935 0.121 4.279 1.237 1.00 0.00 C ATOM 255 CZ TYR A 935 0.819 3.396 2.030 1.00 0.00 C ATOM 256 OH TYR A 935 0.578 3.349 3.382 1.00 0.00 O ATOM 0 H TYR A 935 1.991 0.834 -3.331 1.00 0.00 H new ATOM 0 HA TYR A 935 -0.360 2.423 -2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 935 2.524 3.281 -2.438 1.00 0.00 H new ATOM 0 HB3 TYR A 935 1.202 4.417 -2.617 1.00 0.00 H new ATOM 0 HD1 TYR A 935 2.694 1.899 -0.321 1.00 0.00 H new ATOM 0 HD2 TYR A 935 -0.217 4.978 -0.747 1.00 0.00 H new ATOM 0 HE1 TYR A 935 2.281 1.844 2.094 1.00 0.00 H new ATOM 0 HE2 TYR A 935 -0.594 4.957 1.678 1.00 0.00 H new ATOM 0 HH TYR A 935 1.102 2.624 3.783 1.00 0.00 H new ATOM 266 N GLN A 936 -0.388 3.352 -4.854 1.00 0.00 N ATOM 267 CA GLN A 936 -0.634 3.591 -6.261 1.00 0.00 C ATOM 268 C GLN A 936 -0.612 5.080 -6.498 1.00 0.00 C ATOM 269 O GLN A 936 -1.413 5.801 -5.927 1.00 0.00 O ATOM 270 CB GLN A 936 -1.987 3.045 -6.664 1.00 0.00 C ATOM 271 CG GLN A 936 -2.236 3.075 -8.157 1.00 0.00 C ATOM 272 CD GLN A 936 -3.675 2.785 -8.453 1.00 0.00 C ATOM 273 OE1 GLN A 936 -4.489 3.692 -8.577 1.00 0.00 O ATOM 274 NE2 GLN A 936 -4.025 1.531 -8.475 1.00 0.00 N ATOM 0 H GLN A 936 -1.063 3.799 -4.233 1.00 0.00 H new ATOM 0 HA GLN A 936 0.133 3.092 -6.853 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -2.074 2.017 -6.311 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -2.765 3.621 -6.163 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -1.966 4.052 -8.557 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -1.601 2.341 -8.653 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -3.319 0.803 -8.369 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -5.005 1.277 -8.599 1.00 0.00 H new ATOM 283 N ASN A 937 0.280 5.509 -7.342 1.00 0.00 N ATOM 284 CA ASN A 937 0.553 6.912 -7.569 1.00 0.00 C ATOM 285 C ASN A 937 0.073 7.393 -8.917 1.00 0.00 C ATOM 286 O ASN A 937 0.193 6.714 -9.943 1.00 0.00 O ATOM 287 CB ASN A 937 2.050 7.209 -7.488 1.00 0.00 C ATOM 288 CG ASN A 937 2.648 7.063 -6.117 1.00 0.00 C ATOM 289 OD1 ASN A 937 2.778 8.037 -5.365 1.00 0.00 O ATOM 290 ND2 ASN A 937 3.013 5.852 -5.782 1.00 0.00 N ATOM 0 H ASN A 937 0.855 4.885 -7.908 1.00 0.00 H new ATOM 0 HA ASN A 937 0.009 7.437 -6.784 1.00 0.00 H new ATOM 0 HB2 ASN A 937 2.576 6.542 -8.171 1.00 0.00 H new ATOM 0 HB3 ASN A 937 2.224 8.226 -7.838 1.00 0.00 H new ATOM 0 HD21 ASN A 937 3.425 5.679 -4.865 1.00 0.00 H new ATOM 0 HD22 ASN A 937 2.885 5.081 -6.438 1.00 0.00 H new ATOM 297 N GLU A 938 -0.452 8.584 -8.877 1.00 0.00 N ATOM 298 CA GLU A 938 -0.820 9.364 -10.038 1.00 0.00 C ATOM 299 C GLU A 938 -0.266 10.746 -9.753 1.00 0.00 C ATOM 300 O GLU A 938 0.034 11.051 -8.585 1.00 0.00 O ATOM 301 CB GLU A 938 -2.337 9.395 -10.181 1.00 0.00 C ATOM 302 CG GLU A 938 -2.940 8.011 -10.353 1.00 0.00 C ATOM 303 CD GLU A 938 -4.440 8.007 -10.489 1.00 0.00 C ATOM 304 OE1 GLU A 938 -5.131 8.665 -9.685 1.00 0.00 O ATOM 305 OE2 GLU A 938 -4.950 7.278 -11.367 1.00 0.00 O ATOM 0 H GLU A 938 -0.646 9.065 -7.999 1.00 0.00 H new ATOM 0 HA GLU A 938 -0.430 8.956 -10.970 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -2.771 9.869 -9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -2.604 10.012 -11.039 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -2.504 7.544 -11.236 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -2.662 7.396 -9.497 1.00 0.00 H new ATOM 312 N SER A 939 -0.055 11.567 -10.756 1.00 0.00 N ATOM 313 CA SER A 939 0.538 12.864 -10.527 1.00 0.00 C ATOM 314 C SER A 939 -0.077 13.923 -11.425 1.00 0.00 C ATOM 315 O SER A 939 -0.593 13.616 -12.500 1.00 0.00 O ATOM 316 CB SER A 939 2.048 12.779 -10.734 1.00 0.00 C ATOM 317 OG SER A 939 2.584 11.729 -9.947 1.00 0.00 O ATOM 0 H SER A 939 -0.283 11.363 -11.729 1.00 0.00 H new ATOM 0 HA SER A 939 0.336 13.162 -9.498 1.00 0.00 H new ATOM 0 HB2 SER A 939 2.270 12.606 -11.787 1.00 0.00 H new ATOM 0 HB3 SER A 939 2.515 13.725 -10.461 1.00 0.00 H new ATOM 0 HG SER A 939 3.553 11.679 -10.085 1.00 0.00 H new ATOM 323 N ARG A 940 -0.061 15.149 -10.938 1.00 0.00 N ATOM 324 CA ARG A 940 -0.561 16.290 -11.651 1.00 0.00 C ATOM 325 C ARG A 940 0.234 17.495 -11.242 1.00 0.00 C ATOM 326 O ARG A 940 0.894 17.479 -10.213 1.00 0.00 O ATOM 327 CB ARG A 940 -2.025 16.563 -11.336 1.00 0.00 C ATOM 328 CG ARG A 940 -2.355 16.851 -9.873 1.00 0.00 C ATOM 329 CD ARG A 940 -3.807 17.253 -9.788 1.00 0.00 C ATOM 330 NE ARG A 940 -4.306 17.585 -8.454 1.00 0.00 N ATOM 331 CZ ARG A 940 -5.447 18.258 -8.246 1.00 0.00 C ATOM 332 NH1 ARG A 940 -6.065 18.861 -9.265 1.00 0.00 N ATOM 333 NH2 ARG A 940 -5.964 18.331 -7.027 1.00 0.00 N ATOM 0 H ARG A 940 0.310 15.376 -10.015 1.00 0.00 H new ATOM 0 HA ARG A 940 -0.470 16.085 -12.718 1.00 0.00 H new ATOM 0 HB2 ARG A 940 -2.352 17.413 -11.935 1.00 0.00 H new ATOM 0 HB3 ARG A 940 -2.611 15.702 -11.657 1.00 0.00 H new ATOM 0 HG2 ARG A 940 -2.168 15.969 -9.260 1.00 0.00 H new ATOM 0 HG3 ARG A 940 -1.717 17.647 -9.489 1.00 0.00 H new ATOM 0 HD2 ARG A 940 -3.963 18.115 -10.437 1.00 0.00 H new ATOM 0 HD3 ARG A 940 -4.412 16.439 -10.188 1.00 0.00 H new ATOM 0 HE ARG A 940 -3.761 17.291 -7.644 1.00 0.00 H new ATOM 0 HH11 ARG A 940 -5.669 18.810 -10.204 1.00 0.00 H new ATOM 0 HH12 ARG A 940 -6.933 19.372 -9.105 1.00 0.00 H new ATOM 0 HH21 ARG A 940 -5.494 17.875 -6.245 1.00 0.00 H new ATOM 0 HH22 ARG A 940 -6.832 18.843 -6.871 1.00 0.00 H new ATOM 347 N TYR A 941 0.208 18.507 -12.060 1.00 0.00 N ATOM 348 CA TYR A 941 0.787 19.776 -11.683 1.00 0.00 C ATOM 349 C TYR A 941 -0.233 20.459 -10.793 1.00 0.00 C ATOM 350 O TYR A 941 -1.395 20.016 -10.760 1.00 0.00 O ATOM 351 CB TYR A 941 1.002 20.647 -12.912 1.00 0.00 C ATOM 352 CG TYR A 941 1.652 19.914 -14.065 1.00 0.00 C ATOM 353 CD1 TYR A 941 3.018 19.674 -14.074 1.00 0.00 C ATOM 354 CD2 TYR A 941 0.898 19.452 -15.136 1.00 0.00 C ATOM 355 CE1 TYR A 941 3.617 18.994 -15.113 1.00 0.00 C ATOM 356 CE2 TYR A 941 1.488 18.770 -16.180 1.00 0.00 C ATOM 357 CZ TYR A 941 2.848 18.543 -16.164 1.00 0.00 C ATOM 358 OH TYR A 941 3.442 17.862 -17.205 1.00 0.00 O ATOM 0 H TYR A 941 -0.206 18.485 -12.992 1.00 0.00 H new ATOM 0 HA TYR A 941 1.746 19.627 -11.187 1.00 0.00 H new ATOM 0 HB2 TYR A 941 0.041 21.043 -13.239 1.00 0.00 H new ATOM 0 HB3 TYR A 941 1.622 21.501 -12.639 1.00 0.00 H new ATOM 0 HD1 TYR A 941 3.624 20.026 -13.252 1.00 0.00 H new ATOM 0 HD2 TYR A 941 -0.167 19.629 -15.152 1.00 0.00 H new ATOM 0 HE1 TYR A 941 4.682 18.816 -15.103 1.00 0.00 H new ATOM 0 HE2 TYR A 941 0.888 18.416 -17.005 1.00 0.00 H new ATOM 0 HH TYR A 941 2.761 17.613 -17.864 1.00 0.00 H new ATOM 368 N PRO A 942 0.142 21.500 -10.044 1.00 0.00 N ATOM 369 CA PRO A 942 -0.836 22.290 -9.310 1.00 0.00 C ATOM 370 C PRO A 942 -1.778 22.986 -10.285 1.00 0.00 C ATOM 371 O PRO A 942 -1.465 24.056 -10.819 1.00 0.00 O ATOM 372 CB PRO A 942 0.013 23.306 -8.550 1.00 0.00 C ATOM 373 CG PRO A 942 1.377 22.702 -8.500 1.00 0.00 C ATOM 374 CD PRO A 942 1.521 21.956 -9.792 1.00 0.00 C ATOM 0 HA PRO A 942 -1.463 21.694 -8.646 1.00 0.00 H new ATOM 0 HB2 PRO A 942 0.026 24.270 -9.058 1.00 0.00 H new ATOM 0 HB3 PRO A 942 -0.380 23.479 -7.548 1.00 0.00 H new ATOM 0 HG2 PRO A 942 2.145 23.469 -8.400 1.00 0.00 H new ATOM 0 HG3 PRO A 942 1.481 22.034 -7.645 1.00 0.00 H new ATOM 0 HD2 PRO A 942 1.891 22.596 -10.593 1.00 0.00 H new ATOM 0 HD3 PRO A 942 2.216 21.121 -9.705 1.00 0.00 H new ATOM 382 N GLY A 943 -2.882 22.327 -10.598 1.00 0.00 N ATOM 383 CA GLY A 943 -3.803 22.838 -11.580 1.00 0.00 C ATOM 384 C GLY A 943 -4.032 21.821 -12.688 1.00 0.00 C ATOM 385 O GLY A 943 -4.791 22.075 -13.615 1.00 0.00 O ATOM 0 H GLY A 943 -3.155 21.437 -10.182 1.00 0.00 H new ATOM 0 HA2 GLY A 943 -4.752 23.082 -11.103 1.00 0.00 H new ATOM 0 HA3 GLY A 943 -3.413 23.763 -12.004 1.00 0.00 H new ATOM 389 N GLY A 944 -3.384 20.657 -12.583 1.00 0.00 N ATOM 390 CA GLY A 944 -3.568 19.622 -13.584 1.00 0.00 C ATOM 391 C GLY A 944 -4.516 18.589 -13.038 1.00 0.00 C ATOM 392 O GLY A 944 -5.068 18.807 -11.950 1.00 0.00 O ATOM 0 H GLY A 944 -2.741 20.418 -11.828 1.00 0.00 H new ATOM 0 HA2 GLY A 944 -3.965 20.052 -14.504 1.00 0.00 H new ATOM 0 HA3 GLY A 944 -2.611 19.163 -13.834 1.00 0.00 H new ATOM 396 N ASP A 945 -4.767 17.490 -13.731 1.00 0.00 N ATOM 397 CA ASP A 945 -5.487 16.385 -13.133 1.00 0.00 C ATOM 398 C ASP A 945 -4.537 15.192 -13.176 1.00 0.00 C ATOM 399 O ASP A 945 -3.511 15.264 -13.863 1.00 0.00 O ATOM 400 CB ASP A 945 -6.794 16.099 -13.892 1.00 0.00 C ATOM 401 CG ASP A 945 -7.615 14.991 -13.263 1.00 0.00 C ATOM 402 OD1 ASP A 945 -7.504 14.775 -12.043 1.00 0.00 O ATOM 403 OD2 ASP A 945 -8.363 14.292 -13.983 1.00 0.00 O ATOM 0 H ASP A 945 -4.484 17.343 -14.700 1.00 0.00 H new ATOM 0 HA ASP A 945 -5.783 16.610 -12.108 1.00 0.00 H new ATOM 0 HB2 ASP A 945 -7.392 17.010 -13.930 1.00 0.00 H new ATOM 0 HB3 ASP A 945 -6.558 15.829 -14.921 1.00 0.00 H new ATOM 408 N TRP A 946 -4.838 14.133 -12.462 1.00 0.00 N ATOM 409 CA TRP A 946 -3.926 13.033 -12.299 1.00 0.00 C ATOM 410 C TRP A 946 -3.775 12.212 -13.570 1.00 0.00 C ATOM 411 O TRP A 946 -4.736 11.943 -14.296 1.00 0.00 O ATOM 412 CB TRP A 946 -4.401 12.159 -11.146 1.00 0.00 C ATOM 413 CG TRP A 946 -4.723 12.952 -9.945 1.00 0.00 C ATOM 414 CD1 TRP A 946 -5.946 13.369 -9.538 1.00 0.00 C ATOM 415 CD2 TRP A 946 -3.786 13.453 -9.009 1.00 0.00 C ATOM 416 NE1 TRP A 946 -5.815 14.114 -8.404 1.00 0.00 N ATOM 417 CE2 TRP A 946 -4.502 14.169 -8.051 1.00 0.00 C ATOM 418 CE3 TRP A 946 -2.410 13.359 -8.893 1.00 0.00 C ATOM 419 CZ2 TRP A 946 -3.884 14.794 -6.984 1.00 0.00 C ATOM 420 CZ3 TRP A 946 -1.795 13.981 -7.839 1.00 0.00 C ATOM 421 CH2 TRP A 946 -2.531 14.689 -6.894 1.00 0.00 C ATOM 0 H TRP A 946 -5.727 14.013 -11.977 1.00 0.00 H new ATOM 0 HA TRP A 946 -2.940 13.440 -12.075 1.00 0.00 H new ATOM 0 HB2 TRP A 946 -5.282 11.598 -11.456 1.00 0.00 H new ATOM 0 HB3 TRP A 946 -3.628 11.430 -10.902 1.00 0.00 H new ATOM 0 HD1 TRP A 946 -6.879 13.146 -10.034 1.00 0.00 H new ATOM 0 HE1 TRP A 946 -6.581 14.560 -7.899 1.00 0.00 H new ATOM 0 HE3 TRP A 946 -1.833 12.806 -9.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 946 -4.454 15.345 -6.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 946 -0.721 13.921 -7.740 1.00 0.00 H new ATOM 0 HH2 TRP A 946 -2.017 15.165 -6.072 1.00 0.00 H new ATOM 432 N LYS A 947 -2.546 11.844 -13.821 1.00 0.00 N ATOM 433 CA LYS A 947 -2.143 10.976 -14.904 1.00 0.00 C ATOM 434 C LYS A 947 -1.289 9.923 -14.223 1.00 0.00 C ATOM 435 O LYS A 947 -1.060 10.064 -13.025 1.00 0.00 O ATOM 436 CB LYS A 947 -1.288 11.733 -15.928 1.00 0.00 C ATOM 437 CG LYS A 947 -1.967 12.899 -16.612 1.00 0.00 C ATOM 438 CD LYS A 947 -1.029 13.508 -17.635 1.00 0.00 C ATOM 439 CE LYS A 947 -1.614 14.733 -18.305 1.00 0.00 C ATOM 440 NZ LYS A 947 -0.686 15.273 -19.325 1.00 0.00 N ATOM 0 H LYS A 947 -1.759 12.154 -13.251 1.00 0.00 H new ATOM 0 HA LYS A 947 -2.998 10.569 -15.443 1.00 0.00 H new ATOM 0 HB2 LYS A 947 -0.393 12.100 -15.426 1.00 0.00 H new ATOM 0 HB3 LYS A 947 -0.959 11.028 -16.692 1.00 0.00 H new ATOM 0 HG2 LYS A 947 -2.883 12.564 -17.098 1.00 0.00 H new ATOM 0 HG3 LYS A 947 -2.253 13.649 -15.875 1.00 0.00 H new ATOM 0 HD2 LYS A 947 -0.092 13.778 -17.148 1.00 0.00 H new ATOM 0 HD3 LYS A 947 -0.791 12.762 -18.394 1.00 0.00 H new ATOM 0 HE2 LYS A 947 -2.565 14.477 -18.772 1.00 0.00 H new ATOM 0 HE3 LYS A 947 -1.822 15.497 -17.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 947 -1.109 16.112 -19.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 947 0.212 15.537 -18.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 947 -0.508 14.549 -20.050 1.00 0.00 H new ATOM 454 N PRO A 948 -0.820 8.868 -14.894 1.00 0.00 N ATOM 455 CA PRO A 948 0.102 7.925 -14.264 1.00 0.00 C ATOM 456 C PRO A 948 1.354 8.635 -13.741 1.00 0.00 C ATOM 457 O PRO A 948 1.927 9.487 -14.426 1.00 0.00 O ATOM 458 CB PRO A 948 0.460 6.960 -15.396 1.00 0.00 C ATOM 459 CG PRO A 948 -0.682 7.055 -16.344 1.00 0.00 C ATOM 460 CD PRO A 948 -1.154 8.476 -16.270 1.00 0.00 C ATOM 0 HA PRO A 948 -0.337 7.427 -13.399 1.00 0.00 H new ATOM 0 HB2 PRO A 948 1.398 7.241 -15.875 1.00 0.00 H new ATOM 0 HB3 PRO A 948 0.584 5.942 -15.025 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -0.372 6.798 -17.357 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -1.478 6.363 -16.069 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -0.650 9.107 -17.002 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -2.224 8.556 -16.463 1.00 0.00 H new ATOM 468 N ALA A 949 1.727 8.315 -12.509 1.00 0.00 N ATOM 469 CA ALA A 949 2.937 8.871 -11.890 1.00 0.00 C ATOM 470 C ALA A 949 4.222 8.388 -12.577 1.00 0.00 C ATOM 471 O ALA A 949 4.190 7.691 -13.599 1.00 0.00 O ATOM 472 CB ALA A 949 2.982 8.508 -10.423 1.00 0.00 C ATOM 0 H ALA A 949 1.210 7.670 -11.911 1.00 0.00 H new ATOM 0 HA ALA A 949 2.887 9.954 -12.007 1.00 0.00 H new ATOM 0 HB1 ALA A 949 3.883 8.925 -9.973 1.00 0.00 H new ATOM 0 HB2 ALA A 949 2.104 8.914 -9.921 1.00 0.00 H new ATOM 0 HB3 ALA A 949 2.992 7.423 -10.317 1.00 0.00 H new ATOM 478 N GLU A 950 5.347 8.700 -11.954 1.00 0.00 N ATOM 479 CA GLU A 950 6.652 8.354 -12.494 1.00 0.00 C ATOM 480 C GLU A 950 7.051 6.998 -11.933 1.00 0.00 C ATOM 481 O GLU A 950 7.664 6.175 -12.615 1.00 0.00 O ATOM 482 CB GLU A 950 7.709 9.442 -12.199 1.00 0.00 C ATOM 483 CG GLU A 950 8.060 9.680 -10.731 1.00 0.00 C ATOM 484 CD GLU A 950 6.874 10.045 -9.877 1.00 0.00 C ATOM 485 OE1 GLU A 950 6.430 11.211 -9.914 1.00 0.00 O ATOM 486 OE2 GLU A 950 6.331 9.159 -9.183 1.00 0.00 O ATOM 0 H GLU A 950 5.382 9.198 -11.064 1.00 0.00 H new ATOM 0 HA GLU A 950 6.595 8.295 -13.581 1.00 0.00 H new ATOM 0 HB2 GLU A 950 8.624 9.179 -12.729 1.00 0.00 H new ATOM 0 HB3 GLU A 950 7.355 10.383 -12.621 1.00 0.00 H new ATOM 0 HG2 GLU A 950 8.524 8.780 -10.327 1.00 0.00 H new ATOM 0 HG3 GLU A 950 8.801 10.477 -10.668 1.00 0.00 H new ATOM 493 N ASP A 951 6.689 6.787 -10.678 1.00 0.00 N ATOM 494 CA ASP A 951 6.767 5.494 -10.030 1.00 0.00 C ATOM 495 C ASP A 951 5.350 5.181 -9.616 1.00 0.00 C ATOM 496 O ASP A 951 4.836 5.832 -8.698 1.00 0.00 O ATOM 497 CB ASP A 951 7.632 5.491 -8.754 1.00 0.00 C ATOM 498 CG ASP A 951 9.044 5.999 -8.922 1.00 0.00 C ATOM 499 OD1 ASP A 951 9.782 5.501 -9.786 1.00 0.00 O ATOM 500 OD2 ASP A 951 9.446 6.909 -8.162 1.00 0.00 O ATOM 0 H ASP A 951 6.327 7.524 -10.073 1.00 0.00 H new ATOM 0 HA ASP A 951 7.219 4.778 -10.716 1.00 0.00 H new ATOM 0 HB2 ASP A 951 7.134 6.098 -7.998 1.00 0.00 H new ATOM 0 HB3 ASP A 951 7.675 4.473 -8.368 1.00 0.00 H new ATOM 505 N THR A 952 4.692 4.273 -10.314 1.00 0.00 N ATOM 506 CA THR A 952 3.306 3.984 -10.012 1.00 0.00 C ATOM 507 C THR A 952 3.167 3.336 -8.639 1.00 0.00 C ATOM 508 O THR A 952 2.594 3.922 -7.736 1.00 0.00 O ATOM 509 CB THR A 952 2.653 3.097 -11.088 1.00 0.00 C ATOM 510 OG1 THR A 952 2.853 3.678 -12.387 1.00 0.00 O ATOM 511 CG2 THR A 952 1.158 2.960 -10.830 1.00 0.00 C ATOM 0 H THR A 952 5.089 3.732 -11.082 1.00 0.00 H new ATOM 0 HA THR A 952 2.779 4.938 -10.004 1.00 0.00 H new ATOM 0 HB THR A 952 3.116 2.111 -11.048 1.00 0.00 H new ATOM 0 HG1 THR A 952 2.437 3.109 -13.068 1.00 0.00 H new ATOM 0 HG21 THR A 952 0.712 2.330 -11.600 1.00 0.00 H new ATOM 0 HG22 THR A 952 0.998 2.506 -9.852 1.00 0.00 H new ATOM 0 HG23 THR A 952 0.693 3.946 -10.853 1.00 0.00 H new ATOM 519 N TYR A 953 3.705 2.158 -8.444 1.00 0.00 N ATOM 520 CA TYR A 953 3.586 1.547 -7.147 1.00 0.00 C ATOM 521 C TYR A 953 4.790 1.882 -6.292 1.00 0.00 C ATOM 522 O TYR A 953 5.908 1.831 -6.762 1.00 0.00 O ATOM 523 CB TYR A 953 3.295 0.049 -7.264 1.00 0.00 C ATOM 524 CG TYR A 953 1.864 -0.182 -7.712 1.00 0.00 C ATOM 525 CD1 TYR A 953 0.839 -0.211 -6.777 1.00 0.00 C ATOM 526 CD2 TYR A 953 1.522 -0.311 -9.052 1.00 0.00 C ATOM 527 CE1 TYR A 953 -0.476 -0.369 -7.149 1.00 0.00 C ATOM 528 CE2 TYR A 953 0.202 -0.462 -9.439 1.00 0.00 C ATOM 529 CZ TYR A 953 -0.793 -0.491 -8.480 1.00 0.00 C ATOM 530 OH TYR A 953 -2.110 -0.632 -8.849 1.00 0.00 O ATOM 0 H TYR A 953 4.214 1.618 -9.143 1.00 0.00 H new ATOM 0 HA TYR A 953 2.723 1.965 -6.628 1.00 0.00 H new ATOM 0 HB2 TYR A 953 3.983 -0.406 -7.976 1.00 0.00 H new ATOM 0 HB3 TYR A 953 3.464 -0.436 -6.303 1.00 0.00 H new ATOM 0 HD1 TYR A 953 1.080 -0.107 -5.729 1.00 0.00 H new ATOM 0 HD2 TYR A 953 2.298 -0.293 -9.803 1.00 0.00 H new ATOM 0 HE1 TYR A 953 -1.254 -0.397 -6.400 1.00 0.00 H new ATOM 0 HE2 TYR A 953 -0.049 -0.557 -10.485 1.00 0.00 H new ATOM 0 HH TYR A 953 -2.170 -0.705 -9.824 1.00 0.00 H new ATOM 540 N THR A 954 4.541 2.234 -5.044 1.00 0.00 N ATOM 541 CA THR A 954 5.569 2.695 -4.115 1.00 0.00 C ATOM 542 C THR A 954 5.191 2.248 -2.724 1.00 0.00 C ATOM 543 O THR A 954 4.187 1.553 -2.544 1.00 0.00 O ATOM 544 CB THR A 954 5.689 4.241 -4.081 1.00 0.00 C ATOM 545 OG1 THR A 954 4.438 4.840 -3.705 1.00 0.00 O ATOM 546 CG2 THR A 954 6.157 4.808 -5.412 1.00 0.00 C ATOM 0 H THR A 954 3.606 2.209 -4.636 1.00 0.00 H new ATOM 0 HA THR A 954 6.519 2.278 -4.448 1.00 0.00 H new ATOM 0 HB THR A 954 6.443 4.485 -3.332 1.00 0.00 H new ATOM 0 HG1 THR A 954 4.395 4.923 -2.729 1.00 0.00 H new ATOM 0 HG21 THR A 954 6.226 5.893 -5.341 1.00 0.00 H new ATOM 0 HG22 THR A 954 7.136 4.397 -5.658 1.00 0.00 H new ATOM 0 HG23 THR A 954 5.444 4.540 -6.192 1.00 0.00 H new ATOM 554 N ASP A 955 5.992 2.635 -1.762 1.00 0.00 N ATOM 555 CA ASP A 955 5.649 2.463 -0.371 1.00 0.00 C ATOM 556 C ASP A 955 5.215 3.841 0.130 1.00 0.00 C ATOM 557 O ASP A 955 5.131 4.783 -0.673 1.00 0.00 O ATOM 558 CB ASP A 955 6.856 1.954 0.433 1.00 0.00 C ATOM 559 CG ASP A 955 7.835 3.049 0.806 1.00 0.00 C ATOM 560 OD1 ASP A 955 8.271 3.813 -0.071 1.00 0.00 O ATOM 561 OD2 ASP A 955 8.119 3.213 2.013 1.00 0.00 O ATOM 0 H ASP A 955 6.898 3.077 -1.920 1.00 0.00 H new ATOM 0 HA ASP A 955 4.857 1.724 -0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 955 6.500 1.470 1.342 1.00 0.00 H new ATOM 0 HB3 ASP A 955 7.377 1.194 -0.149 1.00 0.00 H new ATOM 566 N ALA A 956 4.885 3.946 1.410 1.00 0.00 N ATOM 567 CA ALA A 956 4.528 5.227 2.040 1.00 0.00 C ATOM 568 C ALA A 956 5.574 6.334 1.819 1.00 0.00 C ATOM 569 O ALA A 956 5.246 7.529 1.834 1.00 0.00 O ATOM 570 CB ALA A 956 4.302 5.028 3.526 1.00 0.00 C ATOM 0 H ALA A 956 4.855 3.151 2.048 1.00 0.00 H new ATOM 0 HA ALA A 956 3.611 5.562 1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 956 4.038 5.981 3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 956 3.492 4.315 3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 956 5.214 4.645 3.985 1.00 0.00 H new ATOM 576 N ASN A 957 6.821 5.955 1.605 1.00 0.00 N ATOM 577 CA ASN A 957 7.878 6.931 1.400 1.00 0.00 C ATOM 578 C ASN A 957 7.984 7.316 -0.072 1.00 0.00 C ATOM 579 O ASN A 957 7.878 8.497 -0.413 1.00 0.00 O ATOM 580 CB ASN A 957 9.226 6.421 1.929 1.00 0.00 C ATOM 581 CG ASN A 957 9.229 6.212 3.435 1.00 0.00 C ATOM 582 OD1 ASN A 957 9.540 7.122 4.205 1.00 0.00 O ATOM 583 ND2 ASN A 957 8.879 5.020 3.872 1.00 0.00 N ATOM 0 H ASN A 957 7.127 4.983 1.569 1.00 0.00 H new ATOM 0 HA ASN A 957 7.617 7.823 1.969 1.00 0.00 H new ATOM 0 HB2 ASN A 957 9.472 5.480 1.436 1.00 0.00 H new ATOM 0 HB3 ASN A 957 10.008 7.133 1.664 1.00 0.00 H new ATOM 0 HD21 ASN A 957 8.860 4.829 4.874 1.00 0.00 H new ATOM 0 HD22 ASN A 957 8.627 4.287 3.209 1.00 0.00 H new ATOM 590 N GLY A 958 8.076 6.339 -0.960 1.00 0.00 N ATOM 591 CA GLY A 958 8.244 6.644 -2.368 1.00 0.00 C ATOM 592 C GLY A 958 9.089 5.640 -3.079 1.00 0.00 C ATOM 593 O GLY A 958 9.253 5.740 -4.295 1.00 0.00 O ATOM 0 H GLY A 958 8.038 5.345 -0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 958 7.265 6.691 -2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 958 8.696 7.631 -2.470 1.00 0.00 H new ATOM 597 N ASP A 959 9.676 4.737 -2.322 1.00 0.00 N ATOM 598 CA ASP A 959 10.435 3.651 -2.902 1.00 0.00 C ATOM 599 C ASP A 959 9.495 2.810 -3.722 1.00 0.00 C ATOM 600 O ASP A 959 8.566 2.208 -3.176 1.00 0.00 O ATOM 601 CB ASP A 959 11.114 2.786 -1.836 1.00 0.00 C ATOM 602 CG ASP A 959 11.902 1.638 -2.447 1.00 0.00 C ATOM 603 OD1 ASP A 959 12.870 1.904 -3.194 1.00 0.00 O ATOM 604 OD2 ASP A 959 11.571 0.453 -2.198 1.00 0.00 O ATOM 0 H ASP A 959 9.642 4.734 -1.303 1.00 0.00 H new ATOM 0 HA ASP A 959 11.228 4.070 -3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 959 11.782 3.406 -1.238 1.00 0.00 H new ATOM 0 HB3 ASP A 959 10.359 2.387 -1.159 1.00 0.00 H new ATOM 609 N LYS A 960 9.660 2.909 -5.033 1.00 0.00 N ATOM 610 CA LYS A 960 8.866 2.137 -5.975 1.00 0.00 C ATOM 611 C LYS A 960 8.808 0.682 -5.554 1.00 0.00 C ATOM 612 O LYS A 960 9.831 -0.001 -5.442 1.00 0.00 O ATOM 613 CB LYS A 960 9.411 2.178 -7.411 1.00 0.00 C ATOM 614 CG LYS A 960 8.524 1.386 -8.372 1.00 0.00 C ATOM 615 CD LYS A 960 9.154 1.131 -9.725 1.00 0.00 C ATOM 616 CE LYS A 960 8.214 0.337 -10.624 1.00 0.00 C ATOM 617 NZ LYS A 960 7.898 -1.005 -10.071 1.00 0.00 N ATOM 0 H LYS A 960 10.345 3.524 -5.471 1.00 0.00 H new ATOM 0 HA LYS A 960 7.878 2.598 -5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 960 9.478 3.213 -7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 960 10.422 1.771 -7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 960 8.273 0.429 -7.914 1.00 0.00 H new ATOM 0 HG3 LYS A 960 7.588 1.926 -8.515 1.00 0.00 H new ATOM 0 HD2 LYS A 960 9.401 2.080 -10.200 1.00 0.00 H new ATOM 0 HD3 LYS A 960 10.089 0.585 -9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 960 7.289 0.897 -10.762 1.00 0.00 H new ATOM 0 HE3 LYS A 960 8.668 0.223 -11.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 960 7.311 -1.531 -10.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 960 8.781 -1.527 -9.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 960 7.380 -0.898 -9.176 1.00 0.00 H new ATOM 631 N ALA A 961 7.604 0.238 -5.323 1.00 0.00 N ATOM 632 CA ALA A 961 7.335 -1.127 -5.000 1.00 0.00 C ATOM 633 C ALA A 961 7.092 -1.830 -6.314 1.00 0.00 C ATOM 634 O ALA A 961 7.065 -1.184 -7.369 1.00 0.00 O ATOM 635 CB ALA A 961 6.132 -1.225 -4.078 1.00 0.00 C ATOM 0 H ALA A 961 6.772 0.827 -5.355 1.00 0.00 H new ATOM 0 HA ALA A 961 8.166 -1.590 -4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 961 5.940 -2.271 -3.841 1.00 0.00 H new ATOM 0 HB2 ALA A 961 6.333 -0.676 -3.158 1.00 0.00 H new ATOM 0 HB3 ALA A 961 5.259 -0.799 -4.572 1.00 0.00 H new ATOM 641 N ALA A 962 6.913 -3.119 -6.288 1.00 0.00 N ATOM 642 CA ALA A 962 6.781 -3.834 -7.531 1.00 0.00 C ATOM 643 C ALA A 962 5.454 -3.579 -8.213 1.00 0.00 C ATOM 644 O ALA A 962 5.421 -3.001 -9.291 1.00 0.00 O ATOM 645 CB ALA A 962 7.061 -5.309 -7.331 1.00 0.00 C ATOM 0 H ALA A 962 6.856 -3.688 -5.444 1.00 0.00 H new ATOM 0 HA ALA A 962 7.535 -3.446 -8.215 1.00 0.00 H new ATOM 0 HB1 ALA A 962 6.956 -5.831 -8.282 1.00 0.00 H new ATOM 0 HB2 ALA A 962 8.076 -5.439 -6.956 1.00 0.00 H new ATOM 0 HB3 ALA A 962 6.353 -5.719 -6.611 1.00 0.00 H new ATOM 651 N SER A 963 4.427 -3.794 -7.431 1.00 0.00 N ATOM 652 CA SER A 963 3.001 -3.815 -7.823 1.00 0.00 C ATOM 653 C SER A 963 2.288 -4.960 -7.122 1.00 0.00 C ATOM 654 O SER A 963 2.943 -5.905 -6.707 1.00 0.00 O ATOM 655 CB SER A 963 2.795 -3.983 -9.333 1.00 0.00 C ATOM 656 OG SER A 963 3.435 -5.134 -9.852 1.00 0.00 O ATOM 0 H SER A 963 4.550 -3.973 -6.434 1.00 0.00 H new ATOM 0 HA SER A 963 2.590 -2.849 -7.529 1.00 0.00 H new ATOM 0 HB2 SER A 963 1.727 -4.041 -9.545 1.00 0.00 H new ATOM 0 HB3 SER A 963 3.174 -3.100 -9.847 1.00 0.00 H new ATOM 0 HG SER A 963 4.202 -4.863 -10.399 1.00 0.00 H new ATOM 662 N PRO A 964 0.953 -4.891 -6.946 1.00 0.00 N ATOM 663 CA PRO A 964 0.185 -6.017 -6.422 1.00 0.00 C ATOM 664 C PRO A 964 0.323 -7.269 -7.292 1.00 0.00 C ATOM 665 O PRO A 964 0.179 -8.389 -6.804 1.00 0.00 O ATOM 666 CB PRO A 964 -1.268 -5.531 -6.413 1.00 0.00 C ATOM 667 CG PRO A 964 -1.292 -4.212 -7.102 1.00 0.00 C ATOM 668 CD PRO A 964 0.118 -3.704 -7.161 1.00 0.00 C ATOM 0 HA PRO A 964 0.541 -6.307 -5.434 1.00 0.00 H new ATOM 0 HB2 PRO A 964 -1.916 -6.244 -6.923 1.00 0.00 H new ATOM 0 HB3 PRO A 964 -1.637 -5.439 -5.392 1.00 0.00 H new ATOM 0 HG2 PRO A 964 -1.705 -4.312 -8.106 1.00 0.00 H new ATOM 0 HG3 PRO A 964 -1.929 -3.511 -6.564 1.00 0.00 H new ATOM 0 HD2 PRO A 964 0.331 -3.239 -8.124 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.299 -2.949 -6.396 1.00 0.00 H new ATOM 676 N SER A 965 0.604 -7.085 -8.576 1.00 0.00 N ATOM 677 CA SER A 965 0.847 -8.204 -9.465 1.00 0.00 C ATOM 678 C SER A 965 2.227 -8.799 -9.181 1.00 0.00 C ATOM 679 O SER A 965 2.353 -9.988 -8.889 1.00 0.00 O ATOM 680 CB SER A 965 0.733 -7.746 -10.918 1.00 0.00 C ATOM 681 OG SER A 965 -0.556 -7.202 -11.168 1.00 0.00 O ATOM 0 H SER A 965 0.668 -6.169 -9.021 1.00 0.00 H new ATOM 0 HA SER A 965 0.099 -8.978 -9.293 1.00 0.00 H new ATOM 0 HB2 SER A 965 1.497 -6.999 -11.131 1.00 0.00 H new ATOM 0 HB3 SER A 965 0.915 -8.588 -11.586 1.00 0.00 H new ATOM 0 HG SER A 965 -0.613 -6.912 -12.102 1.00 0.00 H new ATOM 687 N GLU A 966 3.251 -7.950 -9.201 1.00 0.00 N ATOM 688 CA GLU A 966 4.630 -8.375 -8.949 1.00 0.00 C ATOM 689 C GLU A 966 4.901 -8.643 -7.464 1.00 0.00 C ATOM 690 O GLU A 966 6.040 -8.906 -7.056 1.00 0.00 O ATOM 691 CB GLU A 966 5.608 -7.343 -9.489 1.00 0.00 C ATOM 692 CG GLU A 966 5.529 -7.158 -10.989 1.00 0.00 C ATOM 693 CD GLU A 966 6.272 -5.935 -11.458 1.00 0.00 C ATOM 694 OE1 GLU A 966 5.657 -4.852 -11.507 1.00 0.00 O ATOM 695 OE2 GLU A 966 7.475 -6.040 -11.790 1.00 0.00 O ATOM 0 H GLU A 966 3.152 -6.953 -9.391 1.00 0.00 H new ATOM 0 HA GLU A 966 4.775 -9.319 -9.474 1.00 0.00 H new ATOM 0 HB2 GLU A 966 5.418 -6.386 -9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 966 6.622 -7.641 -9.221 1.00 0.00 H new ATOM 0 HG2 GLU A 966 5.938 -8.039 -11.483 1.00 0.00 H new ATOM 0 HG3 GLU A 966 4.484 -7.081 -11.288 1.00 0.00 H new ATOM 702 N LEU A 967 3.863 -8.564 -6.661 1.00 0.00 N ATOM 703 CA LEU A 967 3.943 -8.952 -5.276 1.00 0.00 C ATOM 704 C LEU A 967 3.428 -10.367 -5.187 1.00 0.00 C ATOM 705 O LEU A 967 2.257 -10.629 -5.449 1.00 0.00 O ATOM 706 CB LEU A 967 3.116 -8.045 -4.376 1.00 0.00 C ATOM 707 CG LEU A 967 3.907 -7.205 -3.378 1.00 0.00 C ATOM 708 CD1 LEU A 967 4.830 -8.068 -2.547 1.00 0.00 C ATOM 709 CD2 LEU A 967 4.684 -6.097 -4.056 1.00 0.00 C ATOM 0 H LEU A 967 2.944 -8.230 -6.951 1.00 0.00 H new ATOM 0 HA LEU A 967 4.975 -8.872 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 967 2.532 -7.374 -5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 967 2.407 -8.661 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 967 3.180 -6.737 -2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 967 5.380 -7.441 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 967 4.243 -8.802 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 967 5.533 -8.584 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 967 5.232 -5.525 -3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 967 5.387 -6.529 -4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 967 3.994 -5.438 -4.582 1.00 0.00 H new ATOM 721 N THR A 968 4.302 -11.275 -4.887 1.00 0.00 N ATOM 722 CA THR A 968 3.967 -12.676 -4.886 1.00 0.00 C ATOM 723 C THR A 968 3.957 -13.245 -3.477 1.00 0.00 C ATOM 724 O THR A 968 4.288 -12.555 -2.504 1.00 0.00 O ATOM 725 CB THR A 968 5.003 -13.430 -5.735 1.00 0.00 C ATOM 726 OG1 THR A 968 6.324 -13.006 -5.344 1.00 0.00 O ATOM 727 CG2 THR A 968 4.790 -13.164 -7.218 1.00 0.00 C ATOM 0 H THR A 968 5.269 -11.073 -4.635 1.00 0.00 H new ATOM 0 HA THR A 968 2.967 -12.796 -5.302 1.00 0.00 H new ATOM 0 HB THR A 968 4.889 -14.501 -5.566 1.00 0.00 H new ATOM 0 HG1 THR A 968 6.992 -13.483 -5.879 1.00 0.00 H new ATOM 0 HG21 THR A 968 5.536 -13.709 -7.796 1.00 0.00 H new ATOM 0 HG22 THR A 968 3.793 -13.496 -7.508 1.00 0.00 H new ATOM 0 HG23 THR A 968 4.888 -12.096 -7.414 1.00 0.00 H new ATOM 735 N CYS A 969 3.550 -14.487 -3.358 1.00 0.00 N ATOM 736 CA CYS A 969 3.635 -15.176 -2.101 1.00 0.00 C ATOM 737 C CYS A 969 4.731 -16.227 -2.200 1.00 0.00 C ATOM 738 O CYS A 969 4.790 -16.986 -3.177 1.00 0.00 O ATOM 739 CB CYS A 969 2.294 -15.800 -1.708 1.00 0.00 C ATOM 740 SG CYS A 969 1.568 -16.877 -2.963 1.00 0.00 S ATOM 0 H CYS A 969 3.157 -15.038 -4.121 1.00 0.00 H new ATOM 0 HA CYS A 969 3.883 -14.464 -1.314 1.00 0.00 H new ATOM 0 HB2 CYS A 969 2.430 -16.373 -0.791 1.00 0.00 H new ATOM 0 HB3 CYS A 969 1.589 -15.000 -1.482 1.00 0.00 H new ATOM 0 HG CYS A 969 0.364 -16.472 -3.239 1.00 0.00 H new ATOM 746 N PRO A 970 5.654 -16.230 -1.237 1.00 0.00 N ATOM 747 CA PRO A 970 6.735 -17.211 -1.174 1.00 0.00 C ATOM 748 C PRO A 970 6.195 -18.567 -0.733 1.00 0.00 C ATOM 749 O PRO A 970 5.069 -18.632 -0.232 1.00 0.00 O ATOM 750 CB PRO A 970 7.661 -16.621 -0.108 1.00 0.00 C ATOM 751 CG PRO A 970 6.767 -15.854 0.780 1.00 0.00 C ATOM 752 CD PRO A 970 5.711 -15.281 -0.119 1.00 0.00 C ATOM 0 HA PRO A 970 7.231 -17.381 -2.130 1.00 0.00 H new ATOM 0 HB2 PRO A 970 8.186 -17.405 0.439 1.00 0.00 H new ATOM 0 HB3 PRO A 970 8.421 -15.980 -0.554 1.00 0.00 H new ATOM 0 HG2 PRO A 970 6.327 -16.495 1.544 1.00 0.00 H new ATOM 0 HG3 PRO A 970 7.311 -15.065 1.300 1.00 0.00 H new ATOM 0 HD2 PRO A 970 4.750 -15.204 0.390 1.00 0.00 H new ATOM 0 HD3 PRO A 970 5.974 -14.279 -0.457 1.00 0.00 H new ATOM 760 N PRO A 971 6.973 -19.658 -0.888 1.00 0.00 N ATOM 761 CA PRO A 971 6.545 -21.011 -0.503 1.00 0.00 C ATOM 762 C PRO A 971 5.970 -21.107 0.917 1.00 0.00 C ATOM 763 O PRO A 971 5.070 -21.913 1.170 1.00 0.00 O ATOM 764 CB PRO A 971 7.825 -21.853 -0.616 1.00 0.00 C ATOM 765 CG PRO A 971 8.936 -20.881 -0.830 1.00 0.00 C ATOM 766 CD PRO A 971 8.320 -19.682 -1.479 1.00 0.00 C ATOM 0 HA PRO A 971 5.730 -21.347 -1.144 1.00 0.00 H new ATOM 0 HB2 PRO A 971 7.988 -22.439 0.288 1.00 0.00 H new ATOM 0 HB3 PRO A 971 7.757 -22.557 -1.445 1.00 0.00 H new ATOM 0 HG2 PRO A 971 9.407 -20.613 0.116 1.00 0.00 H new ATOM 0 HG3 PRO A 971 9.713 -21.310 -1.463 1.00 0.00 H new ATOM 0 HD2 PRO A 971 8.876 -18.771 -1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 971 8.286 -19.780 -2.564 1.00 0.00 H new ATOM 774 N GLY A 972 6.444 -20.265 1.832 1.00 0.00 N ATOM 775 CA GLY A 972 5.976 -20.321 3.190 1.00 0.00 C ATOM 776 C GLY A 972 5.071 -19.160 3.541 1.00 0.00 C ATOM 777 O GLY A 972 4.983 -18.782 4.695 1.00 0.00 O ATOM 0 H GLY A 972 7.145 -19.547 1.648 1.00 0.00 H new ATOM 0 HA2 GLY A 972 5.439 -21.256 3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 972 6.831 -20.327 3.865 1.00 0.00 H new ATOM 781 N TRP A 973 4.450 -18.545 2.549 1.00 0.00 N ATOM 782 CA TRP A 973 3.441 -17.531 2.796 1.00 0.00 C ATOM 783 C TRP A 973 2.250 -17.744 1.891 1.00 0.00 C ATOM 784 O TRP A 973 2.388 -17.982 0.694 1.00 0.00 O ATOM 785 CB TRP A 973 3.970 -16.092 2.715 1.00 0.00 C ATOM 786 CG TRP A 973 4.685 -15.646 3.955 1.00 0.00 C ATOM 787 CD1 TRP A 973 6.031 -15.600 4.151 1.00 0.00 C ATOM 788 CD2 TRP A 973 4.087 -15.211 5.182 1.00 0.00 C ATOM 789 NE1 TRP A 973 6.309 -15.158 5.421 1.00 0.00 N ATOM 790 CE2 TRP A 973 5.132 -14.906 6.071 1.00 0.00 C ATOM 791 CE3 TRP A 973 2.774 -15.043 5.613 1.00 0.00 C ATOM 792 CZ2 TRP A 973 4.900 -14.446 7.366 1.00 0.00 C ATOM 793 CZ3 TRP A 973 2.541 -14.595 6.900 1.00 0.00 C ATOM 794 CH2 TRP A 973 3.600 -14.299 7.764 1.00 0.00 C ATOM 0 H TRP A 973 4.628 -18.731 1.562 1.00 0.00 H new ATOM 0 HA TRP A 973 3.124 -17.654 3.832 1.00 0.00 H new ATOM 0 HB2 TRP A 973 4.648 -16.010 1.865 1.00 0.00 H new ATOM 0 HB3 TRP A 973 3.136 -15.417 2.524 1.00 0.00 H new ATOM 0 HD1 TRP A 973 6.773 -15.872 3.415 1.00 0.00 H new ATOM 0 HE1 TRP A 973 7.242 -15.037 5.816 1.00 0.00 H new ATOM 0 HE3 TRP A 973 1.949 -15.260 4.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 973 5.718 -14.214 8.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 973 1.525 -14.472 7.244 1.00 0.00 H new ATOM 0 HH2 TRP A 973 3.387 -13.948 8.763 1.00 0.00 H new ATOM 805 N GLU A 974 1.093 -17.688 2.494 1.00 0.00 N ATOM 806 CA GLU A 974 -0.180 -17.937 1.868 1.00 0.00 C ATOM 807 C GLU A 974 -0.913 -16.617 1.825 1.00 0.00 C ATOM 808 O GLU A 974 -0.696 -15.778 2.682 1.00 0.00 O ATOM 809 CB GLU A 974 -0.919 -18.951 2.761 1.00 0.00 C ATOM 810 CG GLU A 974 -2.401 -19.126 2.534 1.00 0.00 C ATOM 811 CD GLU A 974 -2.741 -19.819 1.227 1.00 0.00 C ATOM 812 OE1 GLU A 974 -2.386 -19.306 0.138 1.00 0.00 O ATOM 813 OE2 GLU A 974 -3.414 -20.869 1.261 1.00 0.00 O ATOM 0 H GLU A 974 1.007 -17.456 3.484 1.00 0.00 H new ATOM 0 HA GLU A 974 -0.097 -18.335 0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 974 -0.442 -19.923 2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 974 -0.770 -18.656 3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 974 -2.821 -19.701 3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 974 -2.880 -18.147 2.551 1.00 0.00 H new ATOM 820 N TRP A 975 -1.632 -16.339 0.781 1.00 0.00 N ATOM 821 CA TRP A 975 -2.498 -15.177 0.840 1.00 0.00 C ATOM 822 C TRP A 975 -3.742 -15.462 1.670 1.00 0.00 C ATOM 823 O TRP A 975 -4.345 -16.531 1.556 1.00 0.00 O ATOM 824 CB TRP A 975 -2.865 -14.673 -0.550 1.00 0.00 C ATOM 825 CG TRP A 975 -1.706 -14.095 -1.275 1.00 0.00 C ATOM 826 CD1 TRP A 975 -1.160 -14.544 -2.428 1.00 0.00 C ATOM 827 CD2 TRP A 975 -0.939 -12.953 -0.877 1.00 0.00 C ATOM 828 NE1 TRP A 975 -0.117 -13.740 -2.788 1.00 0.00 N ATOM 829 CE2 TRP A 975 0.049 -12.759 -1.850 1.00 0.00 C ATOM 830 CE3 TRP A 975 -1.000 -12.075 0.204 1.00 0.00 C ATOM 831 CZ2 TRP A 975 0.976 -11.722 -1.775 1.00 0.00 C ATOM 832 CZ3 TRP A 975 -0.086 -11.046 0.281 1.00 0.00 C ATOM 833 CH2 TRP A 975 0.892 -10.877 -0.703 1.00 0.00 C ATOM 0 H TRP A 975 -1.647 -16.867 -0.091 1.00 0.00 H new ATOM 0 HA TRP A 975 -1.940 -14.381 1.334 1.00 0.00 H new ATOM 0 HB2 TRP A 975 -3.279 -15.496 -1.133 1.00 0.00 H new ATOM 0 HB3 TRP A 975 -3.647 -13.919 -0.464 1.00 0.00 H new ATOM 0 HD1 TRP A 975 -1.498 -15.408 -2.981 1.00 0.00 H new ATOM 0 HE1 TRP A 975 0.451 -13.854 -3.628 1.00 0.00 H new ATOM 0 HE3 TRP A 975 -1.752 -12.199 0.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 975 1.732 -11.590 -2.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 975 -0.126 -10.360 1.114 1.00 0.00 H new ATOM 0 HH2 TRP A 975 1.596 -10.063 -0.615 1.00 0.00 H new ATOM 844 N GLU A 976 -4.136 -14.497 2.487 1.00 0.00 N ATOM 845 CA GLU A 976 -5.339 -14.684 3.273 1.00 0.00 C ATOM 846 C GLU A 976 -6.395 -13.767 2.696 1.00 0.00 C ATOM 847 O GLU A 976 -7.574 -14.104 2.657 1.00 0.00 O ATOM 848 CB GLU A 976 -5.185 -14.456 4.794 1.00 0.00 C ATOM 849 CG GLU A 976 -4.981 -13.024 5.248 1.00 0.00 C ATOM 850 CD GLU A 976 -5.406 -12.820 6.693 1.00 0.00 C ATOM 851 OE1 GLU A 976 -6.594 -12.515 6.932 1.00 0.00 O ATOM 852 OE2 GLU A 976 -4.581 -12.954 7.609 1.00 0.00 O ATOM 0 H GLU A 976 -3.657 -13.606 2.619 1.00 0.00 H new ATOM 0 HA GLU A 976 -5.615 -15.736 3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 976 -6.074 -14.847 5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 976 -4.339 -15.048 5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 976 -3.931 -12.755 5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 976 -5.551 -12.355 4.604 1.00 0.00 H new ATOM 859 N ASP A 977 -5.955 -12.605 2.224 1.00 0.00 N ATOM 860 CA ASP A 977 -6.852 -11.689 1.553 1.00 0.00 C ATOM 861 C ASP A 977 -6.879 -12.083 0.084 1.00 0.00 C ATOM 862 O ASP A 977 -5.925 -12.691 -0.419 1.00 0.00 O ATOM 863 CB ASP A 977 -6.390 -10.235 1.696 1.00 0.00 C ATOM 864 CG ASP A 977 -7.536 -9.252 1.538 1.00 0.00 C ATOM 865 OD1 ASP A 977 -8.212 -9.244 0.489 1.00 0.00 O ATOM 866 OD2 ASP A 977 -7.824 -8.516 2.507 1.00 0.00 O ATOM 0 H ASP A 977 -4.990 -12.283 2.296 1.00 0.00 H new ATOM 0 HA ASP A 977 -7.844 -11.751 2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -5.927 -10.097 2.673 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -5.626 -10.023 0.948 1.00 0.00 H new ATOM 871 N ASP A 978 -7.909 -11.676 -0.612 1.00 0.00 N ATOM 872 CA ASP A 978 -8.123 -12.124 -1.979 1.00 0.00 C ATOM 873 C ASP A 978 -7.443 -11.209 -2.981 1.00 0.00 C ATOM 874 O ASP A 978 -6.950 -11.673 -4.012 1.00 0.00 O ATOM 875 CB ASP A 978 -9.611 -12.207 -2.294 1.00 0.00 C ATOM 876 CG ASP A 978 -9.889 -12.682 -3.707 1.00 0.00 C ATOM 877 OD1 ASP A 978 -9.924 -13.912 -3.942 1.00 0.00 O ATOM 878 OD2 ASP A 978 -10.103 -11.848 -4.605 1.00 0.00 O ATOM 0 H ASP A 978 -8.619 -11.033 -0.261 1.00 0.00 H new ATOM 0 HA ASP A 978 -7.681 -13.117 -2.064 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -10.090 -12.885 -1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -10.063 -11.226 -2.150 1.00 0.00 H new ATOM 883 N ALA A 979 -7.358 -9.931 -2.657 1.00 0.00 N ATOM 884 CA ALA A 979 -6.826 -8.948 -3.585 1.00 0.00 C ATOM 885 C ALA A 979 -6.325 -7.742 -2.825 1.00 0.00 C ATOM 886 O ALA A 979 -6.541 -7.636 -1.619 1.00 0.00 O ATOM 887 CB ALA A 979 -7.905 -8.521 -4.566 1.00 0.00 C ATOM 0 H ALA A 979 -7.651 -9.549 -1.758 1.00 0.00 H new ATOM 0 HA ALA A 979 -5.999 -9.395 -4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 979 -7.497 -7.784 -5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 979 -8.253 -9.390 -5.125 1.00 0.00 H new ATOM 0 HB3 ALA A 979 -8.740 -8.083 -4.020 1.00 0.00 H new ATOM 893 N TRP A 980 -5.639 -6.864 -3.526 1.00 0.00 N ATOM 894 CA TRP A 980 -5.181 -5.627 -2.933 1.00 0.00 C ATOM 895 C TRP A 980 -6.209 -4.556 -3.240 1.00 0.00 C ATOM 896 O TRP A 980 -6.372 -4.142 -4.391 1.00 0.00 O ATOM 897 CB TRP A 980 -3.819 -5.175 -3.459 1.00 0.00 C ATOM 898 CG TRP A 980 -2.711 -6.182 -3.345 1.00 0.00 C ATOM 899 CD1 TRP A 980 -2.597 -7.365 -4.019 1.00 0.00 C ATOM 900 CD2 TRP A 980 -1.527 -6.068 -2.544 1.00 0.00 C ATOM 901 NE1 TRP A 980 -1.428 -7.992 -3.675 1.00 0.00 N ATOM 902 CE2 TRP A 980 -0.752 -7.219 -2.777 1.00 0.00 C ATOM 903 CE3 TRP A 980 -1.049 -5.110 -1.648 1.00 0.00 C ATOM 904 CZ2 TRP A 980 0.472 -7.434 -2.156 1.00 0.00 C ATOM 905 CZ3 TRP A 980 0.166 -5.325 -1.030 1.00 0.00 C ATOM 906 CH2 TRP A 980 0.915 -6.477 -1.287 1.00 0.00 C ATOM 0 H TRP A 980 -5.387 -6.985 -4.507 1.00 0.00 H new ATOM 0 HA TRP A 980 -5.065 -5.791 -1.862 1.00 0.00 H new ATOM 0 HB2 TRP A 980 -3.928 -4.899 -4.508 1.00 0.00 H new ATOM 0 HB3 TRP A 980 -3.523 -4.274 -2.922 1.00 0.00 H new ATOM 0 HD1 TRP A 980 -3.322 -7.750 -4.721 1.00 0.00 H new ATOM 0 HE1 TRP A 980 -1.113 -8.894 -4.034 1.00 0.00 H new ATOM 0 HE3 TRP A 980 -1.620 -4.217 -1.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 980 1.052 -8.324 -2.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 980 0.545 -4.590 -0.335 1.00 0.00 H new ATOM 0 HH2 TRP A 980 1.863 -6.613 -0.788 1.00 0.00 H new ATOM 917 N SER A 981 -6.907 -4.134 -2.222 1.00 0.00 N ATOM 918 CA SER A 981 -7.956 -3.142 -2.352 1.00 0.00 C ATOM 919 C SER A 981 -7.641 -1.997 -1.399 1.00 0.00 C ATOM 920 O SER A 981 -6.937 -2.200 -0.436 1.00 0.00 O ATOM 921 CB SER A 981 -9.309 -3.797 -2.070 1.00 0.00 C ATOM 922 OG SER A 981 -9.531 -4.869 -2.984 1.00 0.00 O ATOM 0 H SER A 981 -6.768 -4.467 -1.268 1.00 0.00 H new ATOM 0 HA SER A 981 -8.008 -2.737 -3.363 1.00 0.00 H new ATOM 0 HB2 SER A 981 -9.336 -4.170 -1.046 1.00 0.00 H new ATOM 0 HB3 SER A 981 -10.106 -3.059 -2.162 1.00 0.00 H new ATOM 0 HG SER A 981 -10.398 -5.285 -2.796 1.00 0.00 H new ATOM 928 N TYR A 982 -8.184 -0.824 -1.622 1.00 0.00 N ATOM 929 CA TYR A 982 -7.719 0.361 -0.906 1.00 0.00 C ATOM 930 C TYR A 982 -8.179 0.416 0.543 1.00 0.00 C ATOM 931 O TYR A 982 -9.285 -0.005 0.893 1.00 0.00 O ATOM 932 CB TYR A 982 -8.061 1.656 -1.663 1.00 0.00 C ATOM 933 CG TYR A 982 -9.510 1.796 -2.072 1.00 0.00 C ATOM 934 CD1 TYR A 982 -10.018 1.022 -3.101 1.00 0.00 C ATOM 935 CD2 TYR A 982 -10.355 2.710 -1.454 1.00 0.00 C ATOM 936 CE1 TYR A 982 -11.335 1.138 -3.502 1.00 0.00 C ATOM 937 CE2 TYR A 982 -11.677 2.837 -1.851 1.00 0.00 C ATOM 938 CZ TYR A 982 -12.159 2.049 -2.874 1.00 0.00 C ATOM 939 OH TYR A 982 -13.480 2.153 -3.249 1.00 0.00 O ATOM 0 H TYR A 982 -8.941 -0.655 -2.285 1.00 0.00 H new ATOM 0 HA TYR A 982 -6.633 0.275 -0.868 1.00 0.00 H new ATOM 0 HB2 TYR A 982 -7.793 2.507 -1.036 1.00 0.00 H new ATOM 0 HB3 TYR A 982 -7.440 1.711 -2.557 1.00 0.00 H new ATOM 0 HD1 TYR A 982 -9.373 0.314 -3.600 1.00 0.00 H new ATOM 0 HD2 TYR A 982 -9.977 3.329 -0.654 1.00 0.00 H new ATOM 0 HE1 TYR A 982 -11.717 0.520 -4.301 1.00 0.00 H new ATOM 0 HE2 TYR A 982 -12.325 3.549 -1.362 1.00 0.00 H new ATOM 0 HH TYR A 982 -13.921 2.841 -2.707 1.00 0.00 H new ATOM 949 N ASP A 983 -7.297 0.950 1.367 1.00 0.00 N ATOM 950 CA ASP A 983 -7.483 1.034 2.807 1.00 0.00 C ATOM 951 C ASP A 983 -8.050 2.398 3.159 1.00 0.00 C ATOM 952 O ASP A 983 -7.450 3.427 2.851 1.00 0.00 O ATOM 953 CB ASP A 983 -6.134 0.812 3.507 1.00 0.00 C ATOM 954 CG ASP A 983 -6.177 0.933 5.021 1.00 0.00 C ATOM 955 OD1 ASP A 983 -7.263 0.770 5.621 1.00 0.00 O ATOM 956 OD2 ASP A 983 -5.111 1.172 5.636 1.00 0.00 O ATOM 0 H ASP A 983 -6.412 1.346 1.049 1.00 0.00 H new ATOM 0 HA ASP A 983 -8.181 0.266 3.141 1.00 0.00 H new ATOM 0 HB2 ASP A 983 -5.763 -0.179 3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 983 -5.415 1.534 3.119 1.00 0.00 H new ATOM 961 N ILE A 984 -9.209 2.401 3.781 1.00 0.00 N ATOM 962 CA ILE A 984 -9.885 3.635 4.130 1.00 0.00 C ATOM 963 C ILE A 984 -9.791 3.932 5.618 1.00 0.00 C ATOM 964 O ILE A 984 -10.375 4.898 6.107 1.00 0.00 O ATOM 965 CB ILE A 984 -11.360 3.641 3.633 1.00 0.00 C ATOM 966 CG1 ILE A 984 -12.140 2.362 4.020 1.00 0.00 C ATOM 967 CG2 ILE A 984 -11.391 3.832 2.125 1.00 0.00 C ATOM 968 CD1 ILE A 984 -12.516 2.237 5.486 1.00 0.00 C ATOM 0 H ILE A 984 -9.708 1.555 4.058 1.00 0.00 H new ATOM 0 HA ILE A 984 -9.366 4.442 3.612 1.00 0.00 H new ATOM 0 HB ILE A 984 -11.859 4.472 4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -13.053 2.322 3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -11.540 1.495 3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -12.425 3.836 1.780 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -10.919 4.781 1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -10.851 3.017 1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -13.058 1.305 5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -11.612 2.239 6.095 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -13.148 3.078 5.773 1.00 0.00 H new ATOM 980 N ASN A 985 -8.973 3.163 6.320 1.00 0.00 N ATOM 981 CA ASN A 985 -8.815 3.314 7.762 1.00 0.00 C ATOM 982 C ASN A 985 -7.611 4.226 8.011 1.00 0.00 C ATOM 983 O ASN A 985 -6.868 4.096 8.978 1.00 0.00 O ATOM 984 CB ASN A 985 -8.632 1.923 8.400 1.00 0.00 C ATOM 985 CG ASN A 985 -8.532 1.917 9.924 1.00 0.00 C ATOM 986 OD1 ASN A 985 -7.864 1.059 10.500 1.00 0.00 O ATOM 987 ND2 ASN A 985 -9.222 2.813 10.605 1.00 0.00 N ATOM 0 H ASN A 985 -8.403 2.422 5.912 1.00 0.00 H new ATOM 0 HA ASN A 985 -9.696 3.767 8.217 1.00 0.00 H new ATOM 0 HB2 ASN A 985 -9.470 1.292 8.104 1.00 0.00 H new ATOM 0 HB3 ASN A 985 -7.730 1.468 7.990 1.00 0.00 H new ATOM 0 HD21 ASN A 985 -9.207 2.801 11.625 1.00 0.00 H new ATOM 0 HD22 ASN A 985 -9.770 3.517 10.111 1.00 0.00 H new ATOM 994 N ARG A 986 -7.506 5.244 7.178 1.00 0.00 N ATOM 995 CA ARG A 986 -6.392 6.177 7.176 1.00 0.00 C ATOM 996 C ARG A 986 -6.933 7.538 6.806 1.00 0.00 C ATOM 997 O ARG A 986 -8.133 7.667 6.526 1.00 0.00 O ATOM 998 CB ARG A 986 -5.316 5.770 6.157 1.00 0.00 C ATOM 999 CG ARG A 986 -4.405 4.648 6.613 1.00 0.00 C ATOM 1000 CD ARG A 986 -3.444 4.214 5.512 1.00 0.00 C ATOM 1001 NE ARG A 986 -2.649 5.313 4.937 1.00 0.00 N ATOM 1002 CZ ARG A 986 -1.367 5.575 5.225 1.00 0.00 C ATOM 1003 NH1 ARG A 986 -0.778 5.034 6.280 1.00 0.00 N ATOM 1004 NH2 ARG A 986 -0.682 6.420 4.471 1.00 0.00 N ATOM 0 H ARG A 986 -8.208 5.451 6.467 1.00 0.00 H new ATOM 0 HA ARG A 986 -5.930 6.183 8.163 1.00 0.00 H new ATOM 0 HB2 ARG A 986 -5.807 5.468 5.232 1.00 0.00 H new ATOM 0 HB3 ARG A 986 -4.706 6.643 5.924 1.00 0.00 H new ATOM 0 HG2 ARG A 986 -3.836 4.973 7.484 1.00 0.00 H new ATOM 0 HG3 ARG A 986 -5.008 3.795 6.926 1.00 0.00 H new ATOM 0 HD2 ARG A 986 -2.766 3.461 5.913 1.00 0.00 H new ATOM 0 HD3 ARG A 986 -4.014 3.737 4.715 1.00 0.00 H new ATOM 0 HE ARG A 986 -3.112 5.924 4.265 1.00 0.00 H new ATOM 0 HH11 ARG A 986 -1.301 4.406 6.890 1.00 0.00 H new ATOM 0 HH12 ARG A 986 0.199 5.245 6.483 1.00 0.00 H new ATOM 0 HH21 ARG A 986 -1.130 6.870 3.673 1.00 0.00 H new ATOM 0 HH22 ARG A 986 0.294 6.621 4.688 1.00 0.00 H new ATOM 1018 N ALA A 987 -6.079 8.540 6.812 1.00 0.00 N ATOM 1019 CA ALA A 987 -6.463 9.858 6.365 1.00 0.00 C ATOM 1020 C ALA A 987 -6.472 9.857 4.847 1.00 0.00 C ATOM 1021 O ALA A 987 -5.463 10.132 4.201 1.00 0.00 O ATOM 1022 CB ALA A 987 -5.521 10.924 6.910 1.00 0.00 C ATOM 0 H ALA A 987 -5.111 8.464 7.123 1.00 0.00 H new ATOM 0 HA ALA A 987 -7.457 10.100 6.741 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.837 11.905 6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -5.544 10.907 8.000 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -4.506 10.723 6.566 1.00 0.00 H new ATOM 1028 N VAL A 988 -7.590 9.437 4.294 1.00 0.00 N ATOM 1029 CA VAL A 988 -7.756 9.335 2.859 1.00 0.00 C ATOM 1030 C VAL A 988 -9.003 10.077 2.402 1.00 0.00 C ATOM 1031 O VAL A 988 -9.670 10.747 3.186 1.00 0.00 O ATOM 1032 CB VAL A 988 -7.837 7.853 2.399 1.00 0.00 C ATOM 1033 CG1 VAL A 988 -6.510 7.139 2.605 1.00 0.00 C ATOM 1034 CG2 VAL A 988 -8.953 7.115 3.129 1.00 0.00 C ATOM 0 H VAL A 988 -8.412 9.156 4.828 1.00 0.00 H new ATOM 0 HA VAL A 988 -6.879 9.793 2.402 1.00 0.00 H new ATOM 0 HB VAL A 988 -8.062 7.853 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 988 -6.598 6.104 2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 988 -5.734 7.640 2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 988 -6.246 7.160 3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 988 -8.988 6.080 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 988 -8.763 7.138 4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 988 -9.907 7.599 2.919 1.00 0.00 H new ATOM 1044 N ASP A 989 -9.306 9.923 1.136 1.00 0.00 N ATOM 1045 CA ASP A 989 -10.446 10.527 0.474 1.00 0.00 C ATOM 1046 C ASP A 989 -11.559 9.475 0.460 1.00 0.00 C ATOM 1047 O ASP A 989 -11.371 8.382 1.007 1.00 0.00 O ATOM 1048 CB ASP A 989 -10.015 10.874 -0.962 1.00 0.00 C ATOM 1049 CG ASP A 989 -11.035 11.666 -1.758 1.00 0.00 C ATOM 1050 OD1 ASP A 989 -11.886 11.054 -2.436 1.00 0.00 O ATOM 1051 OD2 ASP A 989 -11.001 12.912 -1.728 1.00 0.00 O ATOM 0 H ASP A 989 -8.743 9.349 0.508 1.00 0.00 H new ATOM 0 HA ASP A 989 -10.795 11.430 0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 989 -9.086 11.443 -0.920 1.00 0.00 H new ATOM 0 HB3 ASP A 989 -9.798 9.948 -1.495 1.00 0.00 H new ATOM 1056 N GLU A 990 -12.672 9.748 -0.199 1.00 0.00 N ATOM 1057 CA GLU A 990 -13.758 8.789 -0.312 1.00 0.00 C ATOM 1058 C GLU A 990 -13.303 7.614 -1.129 1.00 0.00 C ATOM 1059 O GLU A 990 -13.651 6.467 -0.852 1.00 0.00 O ATOM 1060 CB GLU A 990 -14.971 9.432 -0.959 1.00 0.00 C ATOM 1061 CG GLU A 990 -15.444 10.625 -0.181 1.00 0.00 C ATOM 1062 CD GLU A 990 -15.895 10.260 1.222 1.00 0.00 C ATOM 1063 OE1 GLU A 990 -17.053 9.827 1.391 1.00 0.00 O ATOM 1064 OE2 GLU A 990 -15.091 10.384 2.175 1.00 0.00 O ATOM 0 H GLU A 990 -12.848 10.636 -0.669 1.00 0.00 H new ATOM 0 HA GLU A 990 -14.039 8.452 0.686 1.00 0.00 H new ATOM 0 HB2 GLU A 990 -14.724 9.735 -1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 990 -15.776 8.701 -1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 990 -14.640 11.359 -0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 990 -16.269 11.098 -0.713 1.00 0.00 H new ATOM 1071 N LYS A 991 -12.460 7.891 -2.093 1.00 0.00 N ATOM 1072 CA LYS A 991 -11.969 6.836 -2.940 1.00 0.00 C ATOM 1073 C LYS A 991 -10.684 6.233 -2.413 1.00 0.00 C ATOM 1074 O LYS A 991 -10.087 5.385 -3.070 1.00 0.00 O ATOM 1075 CB LYS A 991 -11.784 7.352 -4.350 1.00 0.00 C ATOM 1076 CG LYS A 991 -13.065 7.920 -4.871 1.00 0.00 C ATOM 1077 CD LYS A 991 -12.901 8.628 -6.180 1.00 0.00 C ATOM 1078 CE LYS A 991 -14.212 9.287 -6.500 1.00 0.00 C ATOM 1079 NZ LYS A 991 -14.137 10.124 -7.725 1.00 0.00 N ATOM 0 H LYS A 991 -12.105 8.823 -2.308 1.00 0.00 H new ATOM 0 HA LYS A 991 -12.712 6.039 -2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 991 -11.007 8.117 -4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 991 -11.447 6.543 -4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 991 -13.792 7.116 -4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 991 -13.473 8.615 -4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 991 -12.104 9.369 -6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 991 -12.623 7.925 -6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 991 -14.978 8.523 -6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 991 -14.520 9.906 -5.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 991 -15.064 10.558 -7.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 991 -13.425 10.870 -7.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 991 -13.869 9.530 -8.535 1.00 0.00 H new ATOM 1093 N GLY A 992 -10.276 6.655 -1.225 1.00 0.00 N ATOM 1094 CA GLY A 992 -9.059 6.145 -0.640 1.00 0.00 C ATOM 1095 C GLY A 992 -7.851 6.591 -1.423 1.00 0.00 C ATOM 1096 O GLY A 992 -7.337 5.856 -2.242 1.00 0.00 O ATOM 0 H GLY A 992 -10.769 7.343 -0.657 1.00 0.00 H new ATOM 0 HA2 GLY A 992 -8.975 6.490 0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 992 -9.095 5.056 -0.610 1.00 0.00 H new ATOM 1100 N TRP A 993 -7.436 7.814 -1.175 1.00 0.00 N ATOM 1101 CA TRP A 993 -6.298 8.456 -1.801 1.00 0.00 C ATOM 1102 C TRP A 993 -5.785 9.465 -0.788 1.00 0.00 C ATOM 1103 O TRP A 993 -6.586 10.024 -0.041 1.00 0.00 O ATOM 1104 CB TRP A 993 -6.684 9.216 -3.078 1.00 0.00 C ATOM 1105 CG TRP A 993 -7.098 8.379 -4.256 1.00 0.00 C ATOM 1106 CD1 TRP A 993 -8.369 8.089 -4.648 1.00 0.00 C ATOM 1107 CD2 TRP A 993 -6.230 7.754 -5.214 1.00 0.00 C ATOM 1108 NE1 TRP A 993 -8.347 7.320 -5.783 1.00 0.00 N ATOM 1109 CE2 TRP A 993 -7.048 7.105 -6.152 1.00 0.00 C ATOM 1110 CE3 TRP A 993 -4.843 7.681 -5.369 1.00 0.00 C ATOM 1111 CZ2 TRP A 993 -6.527 6.396 -7.232 1.00 0.00 C ATOM 1112 CZ3 TRP A 993 -4.326 6.974 -6.435 1.00 0.00 C ATOM 1113 CH2 TRP A 993 -5.165 6.341 -7.354 1.00 0.00 C ATOM 0 H TRP A 993 -7.905 8.418 -0.499 1.00 0.00 H new ATOM 0 HA TRP A 993 -5.562 7.702 -2.082 1.00 0.00 H new ATOM 0 HB2 TRP A 993 -7.502 9.895 -2.837 1.00 0.00 H new ATOM 0 HB3 TRP A 993 -5.836 9.832 -3.378 1.00 0.00 H new ATOM 0 HD1 TRP A 993 -9.264 8.417 -4.139 1.00 0.00 H new ATOM 0 HE1 TRP A 993 -9.168 6.965 -6.273 1.00 0.00 H new ATOM 0 HE3 TRP A 993 -4.186 8.170 -4.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 993 -7.174 5.908 -7.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 993 -3.255 6.909 -6.561 1.00 0.00 H new ATOM 0 HH2 TRP A 993 -4.730 5.796 -8.179 1.00 0.00 H new ATOM 1124 N GLU A 994 -4.492 9.669 -0.734 1.00 0.00 N ATOM 1125 CA GLU A 994 -3.893 10.601 0.199 1.00 0.00 C ATOM 1126 C GLU A 994 -3.120 11.740 -0.474 1.00 0.00 C ATOM 1127 O GLU A 994 -2.663 11.644 -1.633 1.00 0.00 O ATOM 1128 CB GLU A 994 -3.059 9.854 1.249 1.00 0.00 C ATOM 1129 CG GLU A 994 -2.254 8.689 0.698 1.00 0.00 C ATOM 1130 CD GLU A 994 -1.648 7.838 1.786 1.00 0.00 C ATOM 1131 OE1 GLU A 994 -2.406 7.318 2.639 1.00 0.00 O ATOM 1132 OE2 GLU A 994 -0.415 7.684 1.826 1.00 0.00 O ATOM 0 H GLU A 994 -3.820 9.194 -1.336 1.00 0.00 H new ATOM 0 HA GLU A 994 -4.713 11.101 0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 994 -2.377 10.560 1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 994 -3.725 9.483 2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 994 -2.898 8.070 0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 994 -1.460 9.072 0.056 1.00 0.00 H new ATOM 1139 N TYR A 995 -3.010 12.791 0.324 1.00 0.00 N ATOM 1140 CA TYR A 995 -2.470 14.114 0.022 1.00 0.00 C ATOM 1141 C TYR A 995 -0.964 14.119 -0.079 1.00 0.00 C ATOM 1142 O TYR A 995 -0.286 14.046 0.919 1.00 0.00 O ATOM 1143 CB TYR A 995 -2.986 15.075 1.131 1.00 0.00 C ATOM 1144 CG TYR A 995 -2.251 16.391 1.406 1.00 0.00 C ATOM 1145 CD1 TYR A 995 -1.206 16.439 2.325 1.00 0.00 C ATOM 1146 CD2 TYR A 995 -2.641 17.586 0.821 1.00 0.00 C ATOM 1147 CE1 TYR A 995 -0.578 17.624 2.644 1.00 0.00 C ATOM 1148 CE2 TYR A 995 -2.009 18.777 1.126 1.00 0.00 C ATOM 1149 CZ TYR A 995 -0.983 18.790 2.043 1.00 0.00 C ATOM 1150 OH TYR A 995 -0.367 19.975 2.368 1.00 0.00 O ATOM 0 H TYR A 995 -3.326 12.737 1.292 1.00 0.00 H new ATOM 0 HA TYR A 995 -2.811 14.442 -0.960 1.00 0.00 H new ATOM 0 HB2 TYR A 995 -4.019 15.325 0.889 1.00 0.00 H new ATOM 0 HB3 TYR A 995 -3.005 14.513 2.065 1.00 0.00 H new ATOM 0 HD1 TYR A 995 -0.879 15.525 2.800 1.00 0.00 H new ATOM 0 HD2 TYR A 995 -3.456 17.586 0.112 1.00 0.00 H new ATOM 0 HE1 TYR A 995 0.228 17.635 3.363 1.00 0.00 H new ATOM 0 HE2 TYR A 995 -2.319 19.694 0.647 1.00 0.00 H new ATOM 0 HH TYR A 995 -0.770 20.705 1.854 1.00 0.00 H new ATOM 1160 N GLY A 996 -0.454 14.131 -1.284 1.00 0.00 N ATOM 1161 CA GLY A 996 0.962 14.280 -1.453 1.00 0.00 C ATOM 1162 C GLY A 996 1.289 15.506 -2.250 1.00 0.00 C ATOM 1163 O GLY A 996 0.954 15.610 -3.431 1.00 0.00 O ATOM 0 H GLY A 996 -0.990 14.041 -2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 996 1.443 14.339 -0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 996 1.365 13.400 -1.954 1.00 0.00 H new ATOM 1167 N ILE A 997 1.883 16.476 -1.620 1.00 0.00 N ATOM 1168 CA ILE A 997 2.303 17.634 -2.355 1.00 0.00 C ATOM 1169 C ILE A 997 3.797 17.775 -2.164 1.00 0.00 C ATOM 1170 O ILE A 997 4.332 17.397 -1.116 1.00 0.00 O ATOM 1171 CB ILE A 997 1.573 18.947 -1.935 1.00 0.00 C ATOM 1172 CG1 ILE A 997 2.122 19.502 -0.615 1.00 0.00 C ATOM 1173 CG2 ILE A 997 0.073 18.696 -1.813 1.00 0.00 C ATOM 1174 CD1 ILE A 997 1.506 20.823 -0.199 1.00 0.00 C ATOM 0 H ILE A 997 2.085 16.492 -0.620 1.00 0.00 H new ATOM 0 HA ILE A 997 2.041 17.487 -3.403 1.00 0.00 H new ATOM 0 HB ILE A 997 1.755 19.691 -2.710 1.00 0.00 H new ATOM 0 HG12 ILE A 997 1.953 18.769 0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 997 3.201 19.628 -0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -0.428 19.619 -1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -0.319 18.360 -2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -0.108 17.930 -1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 997 1.946 21.149 0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 997 1.698 21.572 -0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 997 0.430 20.699 -0.073 1.00 0.00 H new ATOM 1186 N THR A 998 4.468 18.230 -3.179 1.00 0.00 N ATOM 1187 CA THR A 998 5.870 18.468 -3.091 1.00 0.00 C ATOM 1188 C THR A 998 6.145 19.770 -3.818 1.00 0.00 C ATOM 1189 O THR A 998 5.500 20.071 -4.830 1.00 0.00 O ATOM 1190 CB THR A 998 6.693 17.289 -3.675 1.00 0.00 C ATOM 1191 OG1 THR A 998 8.095 17.479 -3.441 1.00 0.00 O ATOM 1192 CG2 THR A 998 6.452 17.109 -5.169 1.00 0.00 C ATOM 0 H THR A 998 4.057 18.445 -4.087 1.00 0.00 H new ATOM 0 HA THR A 998 6.179 18.545 -2.049 1.00 0.00 H new ATOM 0 HB THR A 998 6.356 16.388 -3.162 1.00 0.00 H new ATOM 0 HG1 THR A 998 8.594 16.724 -3.816 1.00 0.00 H new ATOM 0 HG21 THR A 998 7.048 16.273 -5.536 1.00 0.00 H new ATOM 0 HG22 THR A 998 5.396 16.906 -5.345 1.00 0.00 H new ATOM 0 HG23 THR A 998 6.740 18.019 -5.696 1.00 0.00 H new ATOM 1200 N ILE A 999 7.022 20.575 -3.281 1.00 0.00 N ATOM 1201 CA ILE A 999 7.329 21.836 -3.901 1.00 0.00 C ATOM 1202 C ILE A 999 8.703 21.808 -4.544 1.00 0.00 C ATOM 1203 O ILE A 999 9.674 21.336 -3.949 1.00 0.00 O ATOM 1204 CB ILE A 999 7.135 23.034 -2.937 1.00 0.00 C ATOM 1205 CG1 ILE A 999 7.666 22.757 -1.522 1.00 0.00 C ATOM 1206 CG2 ILE A 999 5.667 23.423 -2.874 1.00 0.00 C ATOM 1207 CD1 ILE A 999 9.166 22.850 -1.353 1.00 0.00 C ATOM 0 H ILE A 999 7.534 20.382 -2.420 1.00 0.00 H new ATOM 0 HA ILE A 999 6.607 21.992 -4.702 1.00 0.00 H new ATOM 0 HB ILE A 999 7.721 23.860 -3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 999 7.197 23.461 -0.834 1.00 0.00 H new ATOM 0 HG13 ILE A 999 7.347 21.759 -1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 999 5.543 24.266 -2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 999 5.323 23.706 -3.869 1.00 0.00 H new ATOM 0 HG23 ILE A 999 5.082 22.577 -2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 999 9.429 22.636 -0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 999 9.651 22.126 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 999 9.500 23.855 -1.612 1.00 0.00 H new ATOM 1219 N PRO A1000 8.775 22.234 -5.804 1.00 0.00 N ATOM 1220 CA PRO A1000 10.014 22.225 -6.556 1.00 0.00 C ATOM 1221 C PRO A1000 11.004 23.288 -6.080 1.00 0.00 C ATOM 1222 O PRO A1000 10.614 24.404 -5.709 1.00 0.00 O ATOM 1223 CB PRO A1000 9.571 22.472 -7.997 1.00 0.00 C ATOM 1224 CG PRO A1000 8.281 23.212 -7.887 1.00 0.00 C ATOM 1225 CD PRO A1000 7.656 22.801 -6.577 1.00 0.00 C ATOM 0 HA PRO A1000 10.555 21.286 -6.433 1.00 0.00 H new ATOM 0 HB2 PRO A1000 10.314 23.054 -8.543 1.00 0.00 H new ATOM 0 HB3 PRO A1000 9.442 21.533 -8.536 1.00 0.00 H new ATOM 0 HG2 PRO A1000 8.449 24.289 -7.915 1.00 0.00 H new ATOM 0 HG3 PRO A1000 7.624 22.970 -8.722 1.00 0.00 H new ATOM 0 HD2 PRO A1000 7.209 23.653 -6.064 1.00 0.00 H new ATOM 0 HD3 PRO A1000 6.864 22.068 -6.727 1.00 0.00 H new ATOM 1233 N PRO A1001 12.286 22.926 -6.031 1.00 0.00 N ATOM 1234 CA PRO A1001 12.733 21.583 -6.337 1.00 0.00 C ATOM 1235 C PRO A1001 12.822 20.716 -5.095 1.00 0.00 C ATOM 1236 O PRO A1001 12.942 21.214 -3.971 1.00 0.00 O ATOM 1237 CB PRO A1001 14.127 21.788 -6.923 1.00 0.00 C ATOM 1238 CG PRO A1001 14.451 23.227 -6.719 1.00 0.00 C ATOM 1239 CD PRO A1001 13.425 23.794 -5.772 1.00 0.00 C ATOM 0 HA PRO A1001 12.043 21.073 -7.009 1.00 0.00 H new ATOM 0 HB2 PRO A1001 14.857 21.149 -6.426 1.00 0.00 H new ATOM 0 HB3 PRO A1001 14.147 21.530 -7.982 1.00 0.00 H new ATOM 0 HG2 PRO A1001 15.455 23.339 -6.309 1.00 0.00 H new ATOM 0 HG3 PRO A1001 14.433 23.762 -7.668 1.00 0.00 H new ATOM 0 HD2 PRO A1001 13.752 23.744 -4.733 1.00 0.00 H new ATOM 0 HD3 PRO A1001 13.202 24.839 -5.986 1.00 0.00 H new ATOM 1247 N ASP A1002 12.744 19.433 -5.321 1.00 0.00 N ATOM 1248 CA ASP A1002 12.897 18.435 -4.263 1.00 0.00 C ATOM 1249 C ASP A1002 13.032 17.050 -4.871 1.00 0.00 C ATOM 1250 O ASP A1002 14.123 16.662 -5.283 1.00 0.00 O ATOM 1251 CB ASP A1002 11.733 18.441 -3.253 1.00 0.00 C ATOM 1252 CG ASP A1002 11.979 17.531 -2.058 1.00 0.00 C ATOM 1253 OD1 ASP A1002 11.893 16.290 -2.180 1.00 0.00 O ATOM 1254 OD2 ASP A1002 12.261 18.044 -0.961 1.00 0.00 O ATOM 0 H ASP A1002 12.572 19.034 -6.244 1.00 0.00 H new ATOM 0 HA ASP A1002 13.801 18.700 -3.714 1.00 0.00 H new ATOM 0 HB2 ASP A1002 11.571 19.459 -2.900 1.00 0.00 H new ATOM 0 HB3 ASP A1002 10.819 18.129 -3.758 1.00 0.00 H new ATOM 1259 N HIS A1003 11.901 16.359 -4.980 1.00 0.00 N ATOM 1260 CA HIS A1003 11.799 14.997 -5.480 1.00 0.00 C ATOM 1261 C HIS A1003 10.421 14.454 -5.176 1.00 0.00 C ATOM 1262 O HIS A1003 9.551 14.421 -6.042 1.00 0.00 O ATOM 1263 CB HIS A1003 12.819 14.031 -4.850 1.00 0.00 C ATOM 1264 CG HIS A1003 13.917 13.626 -5.778 1.00 0.00 C ATOM 1265 ND1 HIS A1003 15.069 13.010 -5.358 1.00 0.00 N ATOM 1266 CD2 HIS A1003 14.019 13.742 -7.114 1.00 0.00 C ATOM 1267 CE1 HIS A1003 15.836 12.764 -6.401 1.00 0.00 C ATOM 1268 NE2 HIS A1003 15.222 13.200 -7.482 1.00 0.00 N ATOM 0 H HIS A1003 10.998 16.750 -4.712 1.00 0.00 H new ATOM 0 HA HIS A1003 11.999 15.053 -6.550 1.00 0.00 H new ATOM 0 HB2 HIS A1003 13.255 14.502 -3.969 1.00 0.00 H new ATOM 0 HB3 HIS A1003 12.296 13.138 -4.508 1.00 0.00 H new ATOM 0 HD2 HIS A1003 13.287 14.182 -7.775 1.00 0.00 H new ATOM 0 HE1 HIS A1003 16.804 12.286 -6.374 1.00 0.00 H new ATOM 0 HE2 HIS A1003 15.582 13.143 -8.435 1.00 0.00 H new ATOM 1277 N LYS A1004 10.208 14.105 -3.924 1.00 0.00 N ATOM 1278 CA LYS A1004 9.009 13.395 -3.521 1.00 0.00 C ATOM 1279 C LYS A1004 8.299 14.039 -2.342 1.00 0.00 C ATOM 1280 O LYS A1004 8.947 14.551 -1.428 1.00 0.00 O ATOM 1281 CB LYS A1004 9.376 11.954 -3.145 1.00 0.00 C ATOM 1282 CG LYS A1004 9.597 11.040 -4.328 1.00 0.00 C ATOM 1283 CD LYS A1004 8.263 10.681 -4.940 1.00 0.00 C ATOM 1284 CE LYS A1004 8.415 9.970 -6.289 1.00 0.00 C ATOM 1285 NZ LYS A1004 9.150 8.677 -6.197 1.00 0.00 N ATOM 0 H LYS A1004 10.855 14.303 -3.161 1.00 0.00 H new ATOM 0 HA LYS A1004 8.326 13.425 -4.370 1.00 0.00 H new ATOM 0 HB2 LYS A1004 10.281 11.969 -2.538 1.00 0.00 H new ATOM 0 HB3 LYS A1004 8.582 11.540 -2.524 1.00 0.00 H new ATOM 0 HG2 LYS A1004 10.229 11.531 -5.068 1.00 0.00 H new ATOM 0 HG3 LYS A1004 10.119 10.137 -4.012 1.00 0.00 H new ATOM 0 HD2 LYS A1004 7.712 10.039 -4.253 1.00 0.00 H new ATOM 0 HD3 LYS A1004 7.671 11.587 -5.074 1.00 0.00 H new ATOM 0 HE2 LYS A1004 7.426 9.788 -6.709 1.00 0.00 H new ATOM 0 HE3 LYS A1004 8.939 10.629 -6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A1004 9.233 8.257 -7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A1004 10.100 8.845 -5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A1004 8.631 8.026 -5.574 1.00 0.00 H new ATOM 1299 N PRO A1005 6.951 14.046 -2.381 1.00 0.00 N ATOM 1300 CA PRO A1005 6.116 14.381 -1.229 1.00 0.00 C ATOM 1301 C PRO A1005 6.478 13.510 -0.048 1.00 0.00 C ATOM 1302 O PRO A1005 6.787 12.320 -0.209 1.00 0.00 O ATOM 1303 CB PRO A1005 4.711 14.017 -1.693 1.00 0.00 C ATOM 1304 CG PRO A1005 4.756 14.222 -3.157 1.00 0.00 C ATOM 1305 CD PRO A1005 6.132 13.797 -3.577 1.00 0.00 C ATOM 0 HA PRO A1005 6.227 15.420 -0.919 1.00 0.00 H new ATOM 0 HB2 PRO A1005 4.462 12.986 -1.441 1.00 0.00 H new ATOM 0 HB3 PRO A1005 3.958 14.651 -1.224 1.00 0.00 H new ATOM 0 HG2 PRO A1005 3.991 13.630 -3.660 1.00 0.00 H new ATOM 0 HG3 PRO A1005 4.572 15.265 -3.413 1.00 0.00 H new ATOM 0 HD2 PRO A1005 6.156 12.747 -3.868 1.00 0.00 H new ATOM 0 HD3 PRO A1005 6.486 14.373 -4.432 1.00 0.00 H new ATOM 1313 N LYS A1006 6.428 14.073 1.123 1.00 0.00 N ATOM 1314 CA LYS A1006 6.822 13.337 2.300 1.00 0.00 C ATOM 1315 C LYS A1006 5.561 12.982 3.055 1.00 0.00 C ATOM 1316 O LYS A1006 5.355 11.855 3.504 1.00 0.00 O ATOM 1317 CB LYS A1006 7.642 14.197 3.272 1.00 0.00 C ATOM 1318 CG LYS A1006 8.497 15.274 2.638 1.00 0.00 C ATOM 1319 CD LYS A1006 9.595 14.702 1.767 1.00 0.00 C ATOM 1320 CE LYS A1006 10.367 15.803 1.068 1.00 0.00 C ATOM 1321 NZ LYS A1006 11.435 15.250 0.217 1.00 0.00 N ATOM 0 H LYS A1006 6.122 15.031 1.294 1.00 0.00 H new ATOM 0 HA LYS A1006 7.410 12.479 1.975 1.00 0.00 H new ATOM 0 HB2 LYS A1006 6.957 14.670 3.975 1.00 0.00 H new ATOM 0 HB3 LYS A1006 8.290 13.539 3.852 1.00 0.00 H new ATOM 0 HG2 LYS A1006 7.865 15.929 2.038 1.00 0.00 H new ATOM 0 HG3 LYS A1006 8.941 15.889 3.421 1.00 0.00 H new ATOM 0 HD2 LYS A1006 10.275 14.108 2.377 1.00 0.00 H new ATOM 0 HD3 LYS A1006 9.162 14.030 1.026 1.00 0.00 H new ATOM 0 HE2 LYS A1006 9.686 16.398 0.460 1.00 0.00 H new ATOM 0 HE3 LYS A1006 10.801 16.474 1.810 1.00 0.00 H new ATOM 0 HZ1 LYS A1006 12.353 15.636 0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A1006 11.449 14.214 0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A1006 11.258 15.509 -0.775 1.00 0.00 H new ATOM 1335 N SER A1007 4.726 13.997 3.153 1.00 0.00 N ATOM 1336 CA SER A1007 3.564 13.999 3.994 1.00 0.00 C ATOM 1337 C SER A1007 2.305 13.639 3.205 1.00 0.00 C ATOM 1338 O SER A1007 2.185 14.000 2.038 1.00 0.00 O ATOM 1339 CB SER A1007 3.479 15.396 4.599 1.00 0.00 C ATOM 1340 OG SER A1007 4.734 15.761 5.170 1.00 0.00 O ATOM 0 H SER A1007 4.848 14.865 2.631 1.00 0.00 H new ATOM 0 HA SER A1007 3.641 13.245 4.777 1.00 0.00 H new ATOM 0 HB2 SER A1007 3.197 16.116 3.831 1.00 0.00 H new ATOM 0 HB3 SER A1007 2.702 15.423 5.363 1.00 0.00 H new ATOM 0 HG SER A1007 4.669 16.660 5.554 1.00 0.00 H new ATOM 1346 N TRP A1008 1.398 12.921 3.875 1.00 0.00 N ATOM 1347 CA TRP A1008 0.135 12.431 3.311 1.00 0.00 C ATOM 1348 C TRP A1008 -0.965 12.701 4.326 1.00 0.00 C ATOM 1349 O TRP A1008 -0.767 12.492 5.525 1.00 0.00 O ATOM 1350 CB TRP A1008 0.245 10.939 2.953 1.00 0.00 C ATOM 1351 CG TRP A1008 1.397 10.720 2.048 1.00 0.00 C ATOM 1352 CD1 TRP A1008 2.669 10.482 2.425 1.00 0.00 C ATOM 1353 CD2 TRP A1008 1.395 10.781 0.617 1.00 0.00 C ATOM 1354 NE1 TRP A1008 3.470 10.455 1.334 1.00 0.00 N ATOM 1355 CE2 TRP A1008 2.719 10.611 0.206 1.00 0.00 C ATOM 1356 CE3 TRP A1008 0.410 10.971 -0.352 1.00 0.00 C ATOM 1357 CZ2 TRP A1008 3.095 10.630 -1.134 1.00 0.00 C ATOM 1358 CZ3 TRP A1008 0.778 10.984 -1.684 1.00 0.00 C ATOM 1359 CH2 TRP A1008 2.112 10.818 -2.065 1.00 0.00 C ATOM 0 H TRP A1008 1.525 12.657 4.852 1.00 0.00 H new ATOM 0 HA TRP A1008 -0.102 12.951 2.383 1.00 0.00 H new ATOM 0 HB2 TRP A1008 0.366 10.347 3.860 1.00 0.00 H new ATOM 0 HB3 TRP A1008 -0.674 10.603 2.473 1.00 0.00 H new ATOM 0 HD1 TRP A1008 2.999 10.335 3.443 1.00 0.00 H new ATOM 0 HE1 TRP A1008 4.483 10.336 1.353 1.00 0.00 H new ATOM 0 HE3 TRP A1008 -0.623 11.106 -0.066 1.00 0.00 H new ATOM 0 HZ2 TRP A1008 4.126 10.501 -1.428 1.00 0.00 H new ATOM 0 HZ3 TRP A1008 0.022 11.125 -2.443 1.00 0.00 H new ATOM 0 HH2 TRP A1008 2.371 10.839 -3.113 1.00 0.00 H new ATOM 1370 N VAL A1009 -2.099 13.194 3.848 1.00 0.00 N ATOM 1371 CA VAL A1009 -3.207 13.671 4.692 1.00 0.00 C ATOM 1372 C VAL A1009 -4.511 13.356 3.930 1.00 0.00 C ATOM 1373 O VAL A1009 -4.437 12.906 2.804 1.00 0.00 O ATOM 1374 CB VAL A1009 -3.078 15.212 4.992 1.00 0.00 C ATOM 1375 CG1 VAL A1009 -4.182 15.725 5.898 1.00 0.00 C ATOM 1376 CG2 VAL A1009 -1.737 15.561 5.632 1.00 0.00 C ATOM 0 H VAL A1009 -2.287 13.279 2.849 1.00 0.00 H new ATOM 0 HA VAL A1009 -3.195 13.173 5.662 1.00 0.00 H new ATOM 0 HB VAL A1009 -3.159 15.697 4.019 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -4.044 16.792 6.071 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -5.149 15.557 5.424 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -4.147 15.195 6.850 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -1.692 16.634 5.821 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -1.632 15.022 6.573 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -0.928 15.277 4.959 1.00 0.00 H new ATOM 1386 N ALA A1010 -5.685 13.555 4.505 1.00 0.00 N ATOM 1387 CA ALA A1010 -6.938 13.206 3.827 1.00 0.00 C ATOM 1388 C ALA A1010 -7.419 14.211 2.767 1.00 0.00 C ATOM 1389 O ALA A1010 -8.235 13.856 1.915 1.00 0.00 O ATOM 1390 CB ALA A1010 -8.033 13.025 4.863 1.00 0.00 C ATOM 0 H ALA A1010 -5.805 13.954 5.436 1.00 0.00 H new ATOM 0 HA ALA A1010 -6.724 12.285 3.284 1.00 0.00 H new ATOM 0 HB1 ALA A1010 -8.967 12.765 4.364 1.00 0.00 H new ATOM 0 HB2 ALA A1010 -7.755 12.226 5.551 1.00 0.00 H new ATOM 0 HB3 ALA A1010 -8.165 13.953 5.419 1.00 0.00 H new ATOM 1396 N ALA A1011 -6.935 15.443 2.792 1.00 0.00 N ATOM 1397 CA ALA A1011 -7.526 16.488 1.964 1.00 0.00 C ATOM 1398 C ALA A1011 -6.858 16.659 0.604 1.00 0.00 C ATOM 1399 O ALA A1011 -5.717 17.127 0.512 1.00 0.00 O ATOM 1400 CB ALA A1011 -7.498 17.807 2.721 1.00 0.00 C ATOM 0 H ALA A1011 -6.147 15.743 3.366 1.00 0.00 H new ATOM 0 HA ALA A1011 -8.550 16.176 1.758 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -7.939 18.590 2.104 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -8.068 17.708 3.645 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -6.467 18.069 2.957 1.00 0.00 H new ATOM 1406 N GLU A1012 -7.544 16.234 -0.446 1.00 0.00 N ATOM 1407 CA GLU A1012 -7.117 16.500 -1.806 1.00 0.00 C ATOM 1408 C GLU A1012 -7.337 17.982 -2.139 1.00 0.00 C ATOM 1409 O GLU A1012 -8.452 18.508 -2.070 1.00 0.00 O ATOM 1410 CB GLU A1012 -7.855 15.567 -2.779 1.00 0.00 C ATOM 1411 CG GLU A1012 -7.473 15.742 -4.244 1.00 0.00 C ATOM 1412 CD GLU A1012 -5.994 15.701 -4.470 1.00 0.00 C ATOM 1413 OE1 GLU A1012 -5.331 14.732 -4.053 1.00 0.00 O ATOM 1414 OE2 GLU A1012 -5.468 16.676 -5.031 1.00 0.00 O ATOM 0 H GLU A1012 -8.409 15.697 -0.377 1.00 0.00 H new ATOM 0 HA GLU A1012 -6.051 16.297 -1.908 1.00 0.00 H new ATOM 0 HB2 GLU A1012 -7.661 14.535 -2.488 1.00 0.00 H new ATOM 0 HB3 GLU A1012 -8.928 15.731 -2.675 1.00 0.00 H new ATOM 0 HG2 GLU A1012 -7.947 14.958 -4.834 1.00 0.00 H new ATOM 0 HG3 GLU A1012 -7.864 16.693 -4.605 1.00 0.00 H new ATOM 1421 N LYS A1013 -6.246 18.631 -2.498 1.00 0.00 N ATOM 1422 CA LYS A1013 -6.199 20.065 -2.745 1.00 0.00 C ATOM 1423 C LYS A1013 -5.670 20.327 -4.129 1.00 0.00 C ATOM 1424 O LYS A1013 -4.864 19.551 -4.627 1.00 0.00 O ATOM 1425 CB LYS A1013 -5.246 20.739 -1.766 1.00 0.00 C ATOM 1426 CG LYS A1013 -5.646 20.588 -0.326 1.00 0.00 C ATOM 1427 CD LYS A1013 -4.599 21.161 0.601 1.00 0.00 C ATOM 1428 CE LYS A1013 -4.675 22.675 0.664 1.00 0.00 C ATOM 1429 NZ LYS A1013 -5.873 23.128 1.411 1.00 0.00 N ATOM 0 H LYS A1013 -5.346 18.169 -2.630 1.00 0.00 H new ATOM 0 HA LYS A1013 -7.209 20.459 -2.630 1.00 0.00 H new ATOM 0 HB2 LYS A1013 -4.248 20.323 -1.901 1.00 0.00 H new ATOM 0 HB3 LYS A1013 -5.184 21.800 -2.006 1.00 0.00 H new ATOM 0 HG2 LYS A1013 -6.598 21.091 -0.157 1.00 0.00 H new ATOM 0 HG3 LYS A1013 -5.798 19.533 -0.098 1.00 0.00 H new ATOM 0 HD2 LYS A1013 -4.732 20.748 1.601 1.00 0.00 H new ATOM 0 HD3 LYS A1013 -3.608 20.860 0.261 1.00 0.00 H new ATOM 0 HE2 LYS A1013 -3.777 23.066 1.143 1.00 0.00 H new ATOM 0 HE3 LYS A1013 -4.700 23.082 -0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A1013 -5.755 24.124 1.685 1.00 0.00 H new ATOM 0 HZ2 LYS A1013 -6.715 23.033 0.808 1.00 0.00 H new ATOM 0 HZ3 LYS A1013 -5.991 22.545 2.264 1.00 0.00 H new ATOM 1443 N MET A1014 -6.065 21.440 -4.693 1.00 0.00 N ATOM 1444 CA MET A1014 -5.623 21.867 -6.007 1.00 0.00 C ATOM 1445 C MET A1014 -4.114 21.985 -6.099 1.00 0.00 C ATOM 1446 O MET A1014 -3.546 21.633 -7.131 1.00 0.00 O ATOM 1447 CB MET A1014 -6.268 23.189 -6.349 1.00 0.00 C ATOM 1448 CG MET A1014 -5.874 23.773 -7.699 1.00 0.00 C ATOM 1449 SD MET A1014 -6.665 25.367 -8.025 1.00 0.00 S ATOM 1450 CE MET A1014 -6.094 26.328 -6.622 1.00 0.00 C ATOM 0 H MET A1014 -6.714 22.090 -4.249 1.00 0.00 H new ATOM 0 HA MET A1014 -5.928 21.104 -6.723 1.00 0.00 H new ATOM 0 HB2 MET A1014 -7.350 23.063 -6.328 1.00 0.00 H new ATOM 0 HB3 MET A1014 -6.016 23.910 -5.572 1.00 0.00 H new ATOM 0 HG2 MET A1014 -4.791 23.894 -7.736 1.00 0.00 H new ATOM 0 HG3 MET A1014 -6.143 23.070 -8.487 1.00 0.00 H new ATOM 0 HE1 MET A1014 -5.934 27.361 -6.930 1.00 0.00 H new ATOM 0 HE2 MET A1014 -6.843 26.297 -5.831 1.00 0.00 H new ATOM 0 HE3 MET A1014 -5.158 25.910 -6.252 1.00 0.00 H new ATOM 1460 N TYR A1015 -3.441 22.461 -5.042 1.00 0.00 N ATOM 1461 CA TYR A1015 -1.973 22.547 -5.060 1.00 0.00 C ATOM 1462 C TYR A1015 -1.287 21.187 -4.950 1.00 0.00 C ATOM 1463 O TYR A1015 -0.116 21.099 -4.579 1.00 0.00 O ATOM 1464 CB TYR A1015 -1.466 23.453 -3.930 1.00 0.00 C ATOM 1465 CG TYR A1015 -1.625 24.938 -4.172 1.00 0.00 C ATOM 1466 CD1 TYR A1015 -2.785 25.613 -3.816 1.00 0.00 C ATOM 1467 CD2 TYR A1015 -0.589 25.673 -4.735 1.00 0.00 C ATOM 1468 CE1 TYR A1015 -2.909 26.974 -4.014 1.00 0.00 C ATOM 1469 CE2 TYR A1015 -0.707 27.032 -4.942 1.00 0.00 C ATOM 1470 CZ TYR A1015 -1.868 27.678 -4.580 1.00 0.00 C ATOM 1471 OH TYR A1015 -1.980 29.042 -4.763 1.00 0.00 O ATOM 0 H TYR A1015 -3.878 22.787 -4.180 1.00 0.00 H new ATOM 0 HA TYR A1015 -1.715 22.971 -6.030 1.00 0.00 H new ATOM 0 HB2 TYR A1015 -1.994 23.192 -3.013 1.00 0.00 H new ATOM 0 HB3 TYR A1015 -0.410 23.240 -3.762 1.00 0.00 H new ATOM 0 HD1 TYR A1015 -3.605 25.064 -3.377 1.00 0.00 H new ATOM 0 HD2 TYR A1015 0.325 25.171 -5.016 1.00 0.00 H new ATOM 0 HE1 TYR A1015 -3.817 27.484 -3.727 1.00 0.00 H new ATOM 0 HE2 TYR A1015 0.107 27.586 -5.386 1.00 0.00 H new ATOM 0 HH TYR A1015 -1.159 29.386 -5.172 1.00 0.00 H new ATOM 1481 N HIS A1016 -2.007 20.128 -5.253 1.00 0.00 N ATOM 1482 CA HIS A1016 -1.420 18.821 -5.284 1.00 0.00 C ATOM 1483 C HIS A1016 -0.461 18.645 -6.441 1.00 0.00 C ATOM 1484 O HIS A1016 -0.372 19.468 -7.347 1.00 0.00 O ATOM 1485 CB HIS A1016 -2.502 17.788 -5.340 1.00 0.00 C ATOM 1486 CG HIS A1016 -2.763 17.127 -4.053 1.00 0.00 C ATOM 1487 ND1 HIS A1016 -3.444 17.688 -3.011 1.00 0.00 N ATOM 1488 CD2 HIS A1016 -2.521 15.879 -3.716 1.00 0.00 C ATOM 1489 CE1 HIS A1016 -3.621 16.773 -2.079 1.00 0.00 C ATOM 1490 NE2 HIS A1016 -3.071 15.647 -2.488 1.00 0.00 N ATOM 0 H HIS A1016 -3.001 20.155 -5.481 1.00 0.00 H new ATOM 0 HA HIS A1016 -0.837 18.697 -4.371 1.00 0.00 H new ATOM 0 HB2 HIS A1016 -3.422 18.258 -5.689 1.00 0.00 H new ATOM 0 HB3 HIS A1016 -2.231 17.032 -6.077 1.00 0.00 H new ATOM 0 HD1 HIS A1016 -3.763 18.656 -2.962 1.00 0.00 H new ATOM 0 HD2 HIS A1016 -1.979 15.159 -4.311 1.00 0.00 H new ATOM 0 HE1 HIS A1016 -4.131 16.921 -1.138 1.00 0.00 H new ATOM 1499 N THR A1017 0.160 17.497 -6.427 1.00 0.00 N ATOM 1500 CA THR A1017 1.231 17.150 -7.337 1.00 0.00 C ATOM 1501 C THR A1017 1.351 15.636 -7.410 1.00 0.00 C ATOM 1502 O THR A1017 1.603 15.054 -8.458 1.00 0.00 O ATOM 1503 CB THR A1017 2.575 17.774 -6.887 1.00 0.00 C ATOM 1504 OG1 THR A1017 2.587 17.928 -5.459 1.00 0.00 O ATOM 1505 CG2 THR A1017 2.825 19.121 -7.553 1.00 0.00 C ATOM 0 H THR A1017 -0.067 16.753 -5.767 1.00 0.00 H new ATOM 0 HA THR A1017 0.997 17.550 -8.324 1.00 0.00 H new ATOM 0 HB THR A1017 3.374 17.098 -7.193 1.00 0.00 H new ATOM 0 HG1 THR A1017 2.541 18.880 -5.232 1.00 0.00 H new ATOM 0 HG21 THR A1017 3.778 19.525 -7.211 1.00 0.00 H new ATOM 0 HG22 THR A1017 2.853 18.992 -8.635 1.00 0.00 H new ATOM 0 HG23 THR A1017 2.023 19.811 -7.291 1.00 0.00 H new ATOM 1513 N HIS A1018 1.111 14.998 -6.282 1.00 0.00 N ATOM 1514 CA HIS A1018 1.212 13.552 -6.180 1.00 0.00 C ATOM 1515 C HIS A1018 0.078 12.995 -5.359 1.00 0.00 C ATOM 1516 O HIS A1018 -0.449 13.650 -4.470 1.00 0.00 O ATOM 1517 CB HIS A1018 2.525 13.141 -5.534 1.00 0.00 C ATOM 1518 CG HIS A1018 3.386 12.307 -6.417 1.00 0.00 C ATOM 1519 ND1 HIS A1018 3.540 10.944 -6.262 1.00 0.00 N ATOM 1520 CD2 HIS A1018 4.172 12.660 -7.454 1.00 0.00 C ATOM 1521 CE1 HIS A1018 4.390 10.508 -7.166 1.00 0.00 C ATOM 1522 NE2 HIS A1018 4.783 11.521 -7.894 1.00 0.00 N ATOM 0 H HIS A1018 0.842 15.462 -5.414 1.00 0.00 H new ATOM 0 HA HIS A1018 1.165 13.152 -7.193 1.00 0.00 H new ATOM 0 HB2 HIS A1018 3.075 14.037 -5.245 1.00 0.00 H new ATOM 0 HB3 HIS A1018 2.313 12.588 -4.619 1.00 0.00 H new ATOM 0 HD2 HIS A1018 4.295 13.654 -7.859 1.00 0.00 H new ATOM 0 HE1 HIS A1018 4.710 9.484 -7.287 1.00 0.00 H new ATOM 0 HE2 HIS A1018 5.443 11.468 -8.670 1.00 0.00 H new ATOM 1531 N ARG A1019 -0.347 11.817 -5.692 1.00 0.00 N ATOM 1532 CA ARG A1019 -1.380 11.175 -4.931 1.00 0.00 C ATOM 1533 C ARG A1019 -1.110 9.705 -4.935 1.00 0.00 C ATOM 1534 O ARG A1019 -0.611 9.184 -5.934 1.00 0.00 O ATOM 1535 CB ARG A1019 -2.736 11.449 -5.554 1.00 0.00 C ATOM 1536 CG ARG A1019 -3.892 10.879 -4.774 1.00 0.00 C ATOM 1537 CD ARG A1019 -5.191 11.332 -5.375 1.00 0.00 C ATOM 1538 NE ARG A1019 -5.512 10.708 -6.663 1.00 0.00 N ATOM 1539 CZ ARG A1019 -6.740 10.703 -7.206 1.00 0.00 C ATOM 1540 NH1 ARG A1019 -7.739 11.366 -6.622 1.00 0.00 N ATOM 1541 NH2 ARG A1019 -6.968 10.059 -8.341 1.00 0.00 N ATOM 0 H ARG A1019 0.003 11.278 -6.484 1.00 0.00 H new ATOM 0 HA ARG A1019 -1.387 11.559 -3.911 1.00 0.00 H new ATOM 0 HB2 ARG A1019 -2.870 12.527 -5.649 1.00 0.00 H new ATOM 0 HB3 ARG A1019 -2.752 11.036 -6.563 1.00 0.00 H new ATOM 0 HG2 ARG A1019 -3.841 9.790 -4.776 1.00 0.00 H new ATOM 0 HG3 ARG A1019 -3.832 11.199 -3.734 1.00 0.00 H new ATOM 0 HD2 ARG A1019 -5.996 11.120 -4.672 1.00 0.00 H new ATOM 0 HD3 ARG A1019 -5.159 12.414 -5.507 1.00 0.00 H new ATOM 0 HE ARG A1019 -4.758 10.251 -7.176 1.00 0.00 H new ATOM 0 HH11 ARG A1019 -7.573 11.881 -5.757 1.00 0.00 H new ATOM 0 HH12 ARG A1019 -8.669 11.358 -7.040 1.00 0.00 H new ATOM 0 HH21 ARG A1019 -6.208 9.563 -8.807 1.00 0.00 H new ATOM 0 HH22 ARG A1019 -7.903 10.059 -8.748 1.00 0.00 H new ATOM 1555 N ARG A1020 -1.392 9.053 -3.836 1.00 0.00 N ATOM 1556 CA ARG A1020 -1.235 7.619 -3.790 1.00 0.00 C ATOM 1557 C ARG A1020 -2.208 7.047 -2.820 1.00 0.00 C ATOM 1558 O ARG A1020 -2.837 7.771 -2.098 1.00 0.00 O ATOM 1559 CB ARG A1020 0.195 7.164 -3.453 1.00 0.00 C ATOM 1560 CG ARG A1020 0.674 7.575 -2.072 1.00 0.00 C ATOM 1561 CD ARG A1020 2.063 7.037 -1.764 1.00 0.00 C ATOM 1562 NE ARG A1020 3.078 7.477 -2.725 1.00 0.00 N ATOM 1563 CZ ARG A1020 4.346 7.757 -2.415 1.00 0.00 C ATOM 1564 NH1 ARG A1020 4.736 7.790 -1.140 1.00 0.00 N ATOM 1565 NH2 ARG A1020 5.215 8.032 -3.388 1.00 0.00 N ATOM 0 H ARG A1020 -1.726 9.482 -2.973 1.00 0.00 H new ATOM 0 HA ARG A1020 -1.435 7.244 -4.794 1.00 0.00 H new ATOM 0 HB2 ARG A1020 0.247 6.078 -3.534 1.00 0.00 H new ATOM 0 HB3 ARG A1020 0.878 7.572 -4.198 1.00 0.00 H new ATOM 0 HG2 ARG A1020 0.683 8.663 -2.001 1.00 0.00 H new ATOM 0 HG3 ARG A1020 -0.029 7.212 -1.322 1.00 0.00 H new ATOM 0 HD2 ARG A1020 2.356 7.357 -0.764 1.00 0.00 H new ATOM 0 HD3 ARG A1020 2.030 5.948 -1.754 1.00 0.00 H new ATOM 0 HE ARG A1020 2.796 7.576 -3.700 1.00 0.00 H new ATOM 0 HH11 ARG A1020 4.064 7.601 -0.396 1.00 0.00 H new ATOM 0 HH12 ARG A1020 5.706 8.004 -0.909 1.00 0.00 H new ATOM 0 HH21 ARG A1020 4.909 8.028 -4.361 1.00 0.00 H new ATOM 0 HH22 ARG A1020 6.186 8.247 -3.159 1.00 0.00 H new ATOM 1579 N ARG A1021 -2.381 5.765 -2.877 1.00 0.00 N ATOM 1580 CA ARG A1021 -3.289 5.086 -1.984 1.00 0.00 C ATOM 1581 C ARG A1021 -2.757 3.734 -1.615 1.00 0.00 C ATOM 1582 O ARG A1021 -2.095 3.097 -2.423 1.00 0.00 O ATOM 1583 CB ARG A1021 -4.644 4.926 -2.634 1.00 0.00 C ATOM 1584 CG ARG A1021 -4.621 4.272 -4.006 1.00 0.00 C ATOM 1585 CD ARG A1021 -6.018 4.084 -4.528 1.00 0.00 C ATOM 1586 NE ARG A1021 -5.978 3.637 -5.902 1.00 0.00 N ATOM 1587 CZ ARG A1021 -6.874 2.818 -6.461 1.00 0.00 C ATOM 1588 NH1 ARG A1021 -7.843 2.288 -5.727 1.00 0.00 N ATOM 1589 NH2 ARG A1021 -6.810 2.563 -7.758 1.00 0.00 N ATOM 0 H ARG A1021 -1.903 5.153 -3.538 1.00 0.00 H new ATOM 0 HA ARG A1021 -3.387 5.690 -1.082 1.00 0.00 H new ATOM 0 HB2 ARG A1021 -5.279 4.334 -1.976 1.00 0.00 H new ATOM 0 HB3 ARG A1021 -5.106 5.909 -2.724 1.00 0.00 H new ATOM 0 HG2 ARG A1021 -4.048 4.889 -4.699 1.00 0.00 H new ATOM 0 HG3 ARG A1021 -4.117 3.307 -3.946 1.00 0.00 H new ATOM 0 HD2 ARG A1021 -6.549 3.355 -3.915 1.00 0.00 H new ATOM 0 HD3 ARG A1021 -6.570 5.021 -4.458 1.00 0.00 H new ATOM 0 HE ARG A1021 -5.211 3.970 -6.487 1.00 0.00 H new ATOM 0 HH11 ARG A1021 -7.906 2.505 -4.732 1.00 0.00 H new ATOM 0 HH12 ARG A1021 -8.525 1.663 -6.157 1.00 0.00 H new ATOM 0 HH21 ARG A1021 -6.079 2.991 -8.326 1.00 0.00 H new ATOM 0 HH22 ARG A1021 -7.492 1.939 -8.189 1.00 0.00 H new ATOM 1603 N ARG A1022 -3.072 3.296 -0.419 1.00 0.00 N ATOM 1604 CA ARG A1022 -2.658 2.007 0.045 1.00 0.00 C ATOM 1605 C ARG A1022 -3.630 0.943 -0.425 1.00 0.00 C ATOM 1606 O ARG A1022 -4.822 1.003 -0.121 1.00 0.00 O ATOM 1607 CB ARG A1022 -2.601 1.980 1.566 1.00 0.00 C ATOM 1608 CG ARG A1022 -2.397 0.586 2.118 1.00 0.00 C ATOM 1609 CD ARG A1022 -2.506 0.569 3.618 1.00 0.00 C ATOM 1610 NE ARG A1022 -1.406 1.255 4.249 1.00 0.00 N ATOM 1611 CZ ARG A1022 -1.308 1.420 5.572 1.00 0.00 C ATOM 1612 NH1 ARG A1022 -2.368 1.207 6.354 1.00 0.00 N ATOM 1613 NH2 ARG A1022 -0.181 1.867 6.103 1.00 0.00 N ATOM 0 H ARG A1022 -3.623 3.828 0.255 1.00 0.00 H new ATOM 0 HA ARG A1022 -1.666 1.806 -0.360 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -1.790 2.624 1.907 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -3.526 2.394 1.968 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -3.138 -0.089 1.690 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -1.417 0.214 1.819 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -3.444 1.036 3.918 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -2.537 -0.463 3.967 1.00 0.00 H new ATOM 0 HE ARG A1022 -0.666 1.633 3.657 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -3.255 0.918 5.943 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -2.291 1.333 7.363 1.00 0.00 H new ATOM 0 HH21 ARG A1022 0.614 2.086 5.503 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -0.107 1.992 7.113 1.00 0.00 H new ATOM 1627 N LEU A1023 -3.126 0.009 -1.187 1.00 0.00 N ATOM 1628 CA LEU A1023 -3.859 -1.183 -1.493 1.00 0.00 C ATOM 1629 C LEU A1023 -3.329 -2.210 -0.517 1.00 0.00 C ATOM 1630 O LEU A1023 -2.117 -2.377 -0.389 1.00 0.00 O ATOM 1631 CB LEU A1023 -3.645 -1.649 -2.935 1.00 0.00 C ATOM 1632 CG LEU A1023 -3.945 -0.621 -4.031 1.00 0.00 C ATOM 1633 CD1 LEU A1023 -3.676 -1.218 -5.401 1.00 0.00 C ATOM 1634 CD2 LEU A1023 -5.387 -0.139 -3.946 1.00 0.00 C ATOM 0 H LEU A1023 -2.199 0.056 -1.610 1.00 0.00 H new ATOM 0 HA LEU A1023 -4.933 -1.021 -1.404 1.00 0.00 H new ATOM 0 HB2 LEU A1023 -2.609 -1.970 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A1023 -4.269 -2.526 -3.108 1.00 0.00 H new ATOM 0 HG LEU A1023 -3.287 0.235 -3.881 1.00 0.00 H new ATOM 0 HD11 LEU A1023 -3.893 -0.477 -6.170 1.00 0.00 H new ATOM 0 HD12 LEU A1023 -2.630 -1.515 -5.469 1.00 0.00 H new ATOM 0 HD13 LEU A1023 -4.312 -2.091 -5.549 1.00 0.00 H new ATOM 0 HD21 LEU A1023 -5.574 0.590 -4.735 1.00 0.00 H new ATOM 0 HD22 LEU A1023 -6.062 -0.986 -4.067 1.00 0.00 H new ATOM 0 HD23 LEU A1023 -5.559 0.325 -2.975 1.00 0.00 H new ATOM 1646 N VAL A1024 -4.214 -2.830 0.202 1.00 0.00 N ATOM 1647 CA VAL A1024 -3.835 -3.753 1.262 1.00 0.00 C ATOM 1648 C VAL A1024 -4.038 -5.178 0.854 1.00 0.00 C ATOM 1649 O VAL A1024 -4.974 -5.501 0.125 1.00 0.00 O ATOM 1650 CB VAL A1024 -4.620 -3.558 2.587 1.00 0.00 C ATOM 1651 CG1 VAL A1024 -4.196 -2.305 3.303 1.00 0.00 C ATOM 1652 CG2 VAL A1024 -6.127 -3.542 2.358 1.00 0.00 C ATOM 0 H VAL A1024 -5.221 -2.720 0.082 1.00 0.00 H new ATOM 0 HA VAL A1024 -2.782 -3.528 1.434 1.00 0.00 H new ATOM 0 HB VAL A1024 -4.380 -4.415 3.217 1.00 0.00 H new ATOM 0 HG11 VAL A1024 -4.767 -2.202 4.226 1.00 0.00 H new ATOM 0 HG12 VAL A1024 -3.133 -2.362 3.538 1.00 0.00 H new ATOM 0 HG13 VAL A1024 -4.380 -1.441 2.664 1.00 0.00 H new ATOM 0 HG21 VAL A1024 -6.638 -3.403 3.311 1.00 0.00 H new ATOM 0 HG22 VAL A1024 -6.384 -2.724 1.686 1.00 0.00 H new ATOM 0 HG23 VAL A1024 -6.438 -4.488 1.914 1.00 0.00 H new ATOM 1662 N ARG A1025 -3.138 -6.012 1.301 1.00 0.00 N ATOM 1663 CA ARG A1025 -3.356 -7.438 1.205 1.00 0.00 C ATOM 1664 C ARG A1025 -2.700 -8.142 2.364 1.00 0.00 C ATOM 1665 O ARG A1025 -1.482 -8.151 2.494 1.00 0.00 O ATOM 1666 CB ARG A1025 -2.867 -8.072 -0.092 1.00 0.00 C ATOM 1667 CG ARG A1025 -3.225 -9.547 -0.129 1.00 0.00 C ATOM 1668 CD ARG A1025 -4.096 -9.932 -1.305 1.00 0.00 C ATOM 1669 NE ARG A1025 -3.326 -10.187 -2.517 1.00 0.00 N ATOM 1670 CZ ARG A1025 -3.404 -11.331 -3.216 1.00 0.00 C ATOM 1671 NH1 ARG A1025 -4.225 -12.304 -2.819 1.00 0.00 N ATOM 1672 NH2 ARG A1025 -2.645 -11.510 -4.288 1.00 0.00 N ATOM 0 H ARG A1025 -2.255 -5.737 1.731 1.00 0.00 H new ATOM 0 HA ARG A1025 -4.439 -7.561 1.223 1.00 0.00 H new ATOM 0 HB2 ARG A1025 -3.314 -7.561 -0.945 1.00 0.00 H new ATOM 0 HB3 ARG A1025 -1.787 -7.951 -0.179 1.00 0.00 H new ATOM 0 HG2 ARG A1025 -2.307 -10.134 -0.160 1.00 0.00 H new ATOM 0 HG3 ARG A1025 -3.740 -9.810 0.795 1.00 0.00 H new ATOM 0 HD2 ARG A1025 -4.670 -10.823 -1.050 1.00 0.00 H new ATOM 0 HD3 ARG A1025 -4.814 -9.134 -1.497 1.00 0.00 H new ATOM 0 HE ARG A1025 -2.695 -9.458 -2.851 1.00 0.00 H new ATOM 0 HH11 ARG A1025 -4.796 -12.180 -1.983 1.00 0.00 H new ATOM 0 HH12 ARG A1025 -4.282 -13.172 -3.352 1.00 0.00 H new ATOM 0 HH21 ARG A1025 -2.000 -10.778 -4.584 1.00 0.00 H new ATOM 0 HH22 ARG A1025 -2.706 -12.380 -4.817 1.00 0.00 H new ATOM 1686 N LYS A1026 -3.515 -8.720 3.204 1.00 0.00 N ATOM 1687 CA LYS A1026 -3.035 -9.477 4.336 1.00 0.00 C ATOM 1688 C LYS A1026 -2.565 -10.835 3.850 1.00 0.00 C ATOM 1689 O LYS A1026 -3.073 -11.363 2.847 1.00 0.00 O ATOM 1690 CB LYS A1026 -4.160 -9.641 5.345 1.00 0.00 C ATOM 1691 CG LYS A1026 -3.791 -9.391 6.787 1.00 0.00 C ATOM 1692 CD LYS A1026 -2.851 -10.401 7.365 1.00 0.00 C ATOM 1693 CE LYS A1026 -2.902 -10.311 8.867 1.00 0.00 C ATOM 1694 NZ LYS A1026 -4.213 -10.795 9.370 1.00 0.00 N ATOM 0 H LYS A1026 -4.531 -8.682 3.126 1.00 0.00 H new ATOM 0 HA LYS A1026 -2.206 -8.956 4.815 1.00 0.00 H new ATOM 0 HB2 LYS A1026 -4.968 -8.962 5.073 1.00 0.00 H new ATOM 0 HB3 LYS A1026 -4.553 -10.654 5.261 1.00 0.00 H new ATOM 0 HG2 LYS A1026 -3.339 -8.403 6.868 1.00 0.00 H new ATOM 0 HG3 LYS A1026 -4.702 -9.375 7.386 1.00 0.00 H new ATOM 0 HD2 LYS A1026 -3.127 -11.403 7.038 1.00 0.00 H new ATOM 0 HD3 LYS A1026 -1.837 -10.218 7.011 1.00 0.00 H new ATOM 0 HE2 LYS A1026 -2.097 -10.904 9.301 1.00 0.00 H new ATOM 0 HE3 LYS A1026 -2.743 -9.280 9.182 1.00 0.00 H new ATOM 0 HZ1 LYS A1026 -4.115 -11.096 10.361 1.00 0.00 H new ATOM 0 HZ2 LYS A1026 -4.913 -10.028 9.309 1.00 0.00 H new ATOM 0 HZ3 LYS A1026 -4.531 -11.600 8.793 1.00 0.00 H new ATOM 1708 N ARG A1027 -1.655 -11.423 4.584 1.00 0.00 N ATOM 1709 CA ARG A1027 -1.080 -12.671 4.195 1.00 0.00 C ATOM 1710 C ARG A1027 -0.901 -13.438 5.456 1.00 0.00 C ATOM 1711 O ARG A1027 -0.758 -12.854 6.507 1.00 0.00 O ATOM 1712 CB ARG A1027 0.243 -12.463 3.455 1.00 0.00 C ATOM 1713 CG ARG A1027 1.388 -11.946 4.300 1.00 0.00 C ATOM 1714 CD ARG A1027 2.519 -11.455 3.422 1.00 0.00 C ATOM 1715 NE ARG A1027 2.888 -12.405 2.378 1.00 0.00 N ATOM 1716 CZ ARG A1027 3.713 -12.082 1.374 1.00 0.00 C ATOM 1717 NH1 ARG A1027 4.564 -11.070 1.507 1.00 0.00 N ATOM 1718 NH2 ARG A1027 3.724 -12.801 0.259 1.00 0.00 N ATOM 0 H ARG A1027 -1.298 -11.047 5.462 1.00 0.00 H new ATOM 0 HA ARG A1027 -1.718 -13.212 3.497 1.00 0.00 H new ATOM 0 HB2 ARG A1027 0.543 -13.411 3.009 1.00 0.00 H new ATOM 0 HB3 ARG A1027 0.075 -11.764 2.635 1.00 0.00 H new ATOM 0 HG2 ARG A1027 1.038 -11.135 4.939 1.00 0.00 H new ATOM 0 HG3 ARG A1027 1.748 -12.737 4.957 1.00 0.00 H new ATOM 0 HD2 ARG A1027 2.229 -10.511 2.960 1.00 0.00 H new ATOM 0 HD3 ARG A1027 3.391 -11.251 4.043 1.00 0.00 H new ATOM 0 HE ARG A1027 2.504 -13.349 2.414 1.00 0.00 H new ATOM 0 HH11 ARG A1027 4.590 -10.537 2.376 1.00 0.00 H new ATOM 0 HH12 ARG A1027 5.191 -10.827 0.740 1.00 0.00 H new ATOM 0 HH21 ARG A1027 3.102 -13.604 0.164 1.00 0.00 H new ATOM 0 HH22 ARG A1027 4.354 -12.551 -0.503 1.00 0.00 H new ATOM 1732 N LYS A1028 -0.914 -14.709 5.339 1.00 0.00 N ATOM 1733 CA LYS A1028 -0.903 -15.592 6.453 1.00 0.00 C ATOM 1734 C LYS A1028 -0.042 -16.774 6.108 1.00 0.00 C ATOM 1735 O LYS A1028 -0.129 -17.290 5.038 1.00 0.00 O ATOM 1736 CB LYS A1028 -2.340 -15.986 6.740 1.00 0.00 C ATOM 1737 CG LYS A1028 -2.520 -17.030 7.807 1.00 0.00 C ATOM 1738 CD LYS A1028 -3.999 -17.215 8.070 1.00 0.00 C ATOM 1739 CE LYS A1028 -4.635 -15.971 8.687 1.00 0.00 C ATOM 1740 NZ LYS A1028 -6.116 -16.070 8.767 1.00 0.00 N ATOM 0 H LYS A1028 -0.933 -15.186 4.438 1.00 0.00 H new ATOM 0 HA LYS A1028 -0.488 -15.130 7.349 1.00 0.00 H new ATOM 0 HB2 LYS A1028 -2.893 -15.093 7.032 1.00 0.00 H new ATOM 0 HB3 LYS A1028 -2.790 -16.352 5.817 1.00 0.00 H new ATOM 0 HG2 LYS A1028 -2.073 -17.973 7.491 1.00 0.00 H new ATOM 0 HG3 LYS A1028 -2.010 -16.726 8.721 1.00 0.00 H new ATOM 0 HD2 LYS A1028 -4.505 -17.454 7.135 1.00 0.00 H new ATOM 0 HD3 LYS A1028 -4.144 -18.064 8.738 1.00 0.00 H new ATOM 0 HE2 LYS A1028 -4.230 -15.817 9.687 1.00 0.00 H new ATOM 0 HE3 LYS A1028 -4.364 -15.097 8.095 1.00 0.00 H new ATOM 0 HZ1 LYS A1028 -6.499 -15.202 9.192 1.00 0.00 H new ATOM 0 HZ2 LYS A1028 -6.508 -16.190 7.811 1.00 0.00 H new ATOM 0 HZ3 LYS A1028 -6.378 -16.888 9.353 1.00 0.00 H new ATOM 1754 N LYS A1029 0.776 -17.192 7.019 1.00 0.00 N ATOM 1755 CA LYS A1029 1.694 -18.303 6.775 1.00 0.00 C ATOM 1756 C LYS A1029 0.986 -19.576 7.174 1.00 0.00 C ATOM 1757 O LYS A1029 1.303 -20.678 6.747 1.00 0.00 O ATOM 1758 CB LYS A1029 2.939 -18.169 7.655 1.00 0.00 C ATOM 1759 CG LYS A1029 3.969 -19.258 7.425 1.00 0.00 C ATOM 1760 CD LYS A1029 5.174 -19.107 8.328 1.00 0.00 C ATOM 1761 CE LYS A1029 5.743 -17.711 8.230 1.00 0.00 C ATOM 1762 NZ LYS A1029 7.013 -17.573 8.979 1.00 0.00 N ATOM 0 H LYS A1029 0.842 -16.789 7.954 1.00 0.00 H new ATOM 0 HA LYS A1029 1.989 -18.308 5.726 1.00 0.00 H new ATOM 0 HB2 LYS A1029 3.401 -17.199 7.470 1.00 0.00 H new ATOM 0 HB3 LYS A1029 2.636 -18.183 8.702 1.00 0.00 H new ATOM 0 HG2 LYS A1029 3.510 -20.232 7.595 1.00 0.00 H new ATOM 0 HG3 LYS A1029 4.292 -19.236 6.384 1.00 0.00 H new ATOM 0 HD2 LYS A1029 4.891 -19.318 9.359 1.00 0.00 H new ATOM 0 HD3 LYS A1029 5.936 -19.836 8.051 1.00 0.00 H new ATOM 0 HE2 LYS A1029 5.912 -17.461 7.182 1.00 0.00 H new ATOM 0 HE3 LYS A1029 5.016 -16.996 8.615 1.00 0.00 H new ATOM 0 HZ1 LYS A1029 7.368 -16.600 8.885 1.00 0.00 H new ATOM 0 HZ2 LYS A1029 6.848 -17.786 9.984 1.00 0.00 H new ATOM 0 HZ3 LYS A1029 7.716 -18.237 8.596 1.00 0.00 H new ATOM 1776 N ASP A1030 0.041 -19.362 8.064 1.00 0.00 N ATOM 1777 CA ASP A1030 -0.692 -20.408 8.792 1.00 0.00 C ATOM 1778 C ASP A1030 0.277 -21.358 9.519 1.00 0.00 C ATOM 1779 O ASP A1030 -0.105 -22.412 10.015 1.00 0.00 O ATOM 1780 CB ASP A1030 -1.613 -21.181 7.851 1.00 0.00 C ATOM 1781 CG ASP A1030 -2.708 -21.903 8.608 1.00 0.00 C ATOM 1782 OD1 ASP A1030 -3.260 -21.321 9.570 1.00 0.00 O ATOM 1783 OD2 ASP A1030 -3.069 -23.033 8.233 1.00 0.00 O ATOM 0 H ASP A1030 -0.259 -18.421 8.320 1.00 0.00 H new ATOM 0 HA ASP A1030 -1.311 -19.922 9.546 1.00 0.00 H new ATOM 0 HB2 ASP A1030 -2.060 -20.493 7.133 1.00 0.00 H new ATOM 0 HB3 ASP A1030 -1.028 -21.903 7.281 1.00 0.00 H new ATOM 1788 N LEU A1031 1.540 -20.923 9.576 1.00 0.00 N ATOM 1789 CA LEU A1031 2.696 -21.625 10.134 1.00 0.00 C ATOM 1790 C LEU A1031 3.065 -22.881 9.319 1.00 0.00 C ATOM 1791 O LEU A1031 4.239 -23.122 9.030 1.00 0.00 O ATOM 1792 CB LEU A1031 2.490 -21.976 11.604 1.00 0.00 C ATOM 1793 CG LEU A1031 3.756 -22.373 12.360 1.00 0.00 C ATOM 1794 CD1 LEU A1031 4.727 -21.204 12.435 1.00 0.00 C ATOM 1795 CD2 LEU A1031 3.418 -22.875 13.754 1.00 0.00 C ATOM 0 H LEU A1031 1.797 -20.007 9.207 1.00 0.00 H new ATOM 0 HA LEU A1031 3.536 -20.933 10.068 1.00 0.00 H new ATOM 0 HB2 LEU A1031 2.039 -21.120 12.106 1.00 0.00 H new ATOM 0 HB3 LEU A1031 1.775 -22.796 11.669 1.00 0.00 H new ATOM 0 HG LEU A1031 4.236 -23.184 11.812 1.00 0.00 H new ATOM 0 HD11 LEU A1031 5.622 -21.509 12.978 1.00 0.00 H new ATOM 0 HD12 LEU A1031 5.002 -20.894 11.427 1.00 0.00 H new ATOM 0 HD13 LEU A1031 4.254 -20.371 12.954 1.00 0.00 H new ATOM 0 HD21 LEU A1031 4.335 -23.152 14.273 1.00 0.00 H new ATOM 0 HD22 LEU A1031 2.909 -22.088 14.311 1.00 0.00 H new ATOM 0 HD23 LEU A1031 2.767 -23.746 13.679 1.00 0.00 H new ATOM 1807 N THR A1032 2.064 -23.634 8.911 1.00 0.00 N ATOM 1808 CA THR A1032 2.239 -24.896 8.218 1.00 0.00 C ATOM 1809 C THR A1032 2.121 -24.774 6.691 1.00 0.00 C ATOM 1810 O THR A1032 1.696 -25.725 6.030 1.00 0.00 O ATOM 1811 CB THR A1032 1.191 -25.893 8.737 1.00 0.00 C ATOM 1812 OG1 THR A1032 -0.094 -25.251 8.788 1.00 0.00 O ATOM 1813 CG2 THR A1032 1.558 -26.409 10.121 1.00 0.00 C ATOM 0 H THR A1032 1.086 -23.382 9.054 1.00 0.00 H new ATOM 0 HA THR A1032 3.252 -25.242 8.423 1.00 0.00 H new ATOM 0 HB THR A1032 1.158 -26.743 8.055 1.00 0.00 H new ATOM 0 HG1 THR A1032 -0.764 -25.886 9.117 1.00 0.00 H new ATOM 0 HG21 THR A1032 0.797 -27.112 10.461 1.00 0.00 H new ATOM 0 HG22 THR A1032 2.524 -26.912 10.077 1.00 0.00 H new ATOM 0 HG23 THR A1032 1.616 -25.573 10.818 1.00 0.00 H new ATOM 1821 N GLN A1033 2.494 -23.625 6.127 1.00 0.00 N ATOM 1822 CA GLN A1033 2.539 -23.481 4.663 1.00 0.00 C ATOM 1823 C GLN A1033 3.475 -24.515 4.060 1.00 0.00 C ATOM 1824 O GLN A1033 3.111 -25.212 3.113 1.00 0.00 O ATOM 1825 CB GLN A1033 2.995 -22.087 4.230 1.00 0.00 C ATOM 1826 CG GLN A1033 1.876 -21.131 3.882 1.00 0.00 C ATOM 1827 CD GLN A1033 1.007 -21.590 2.727 1.00 0.00 C ATOM 1828 OE1 GLN A1033 0.029 -22.314 2.918 1.00 0.00 O ATOM 1829 NE2 GLN A1033 1.312 -21.122 1.529 1.00 0.00 N ATOM 0 H GLN A1033 2.766 -22.791 6.647 1.00 0.00 H new ATOM 0 HA GLN A1033 1.522 -23.634 4.301 1.00 0.00 H new ATOM 0 HB2 GLN A1033 3.591 -21.650 5.032 1.00 0.00 H new ATOM 0 HB3 GLN A1033 3.650 -22.187 3.365 1.00 0.00 H new ATOM 0 HG2 GLN A1033 1.248 -20.988 4.761 1.00 0.00 H new ATOM 0 HG3 GLN A1033 2.305 -20.160 3.636 1.00 0.00 H new ATOM 0 HE21 GLN A1033 2.130 -20.525 1.408 1.00 0.00 H new ATOM 0 HE22 GLN A1033 0.729 -21.358 0.726 1.00 0.00 H new