USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=27 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 939 SER OG : rot 180:sc= -0.0684 USER MOD Set 1.2: A1018 HIS : no HD1:sc= -1.02 K(o=-1.1,f=0.058) USER MOD Set 2.1: A 937 ASN : amide:sc= 1.74 K(o=2.6,f=-5.7!) USER MOD Set 2.2: A 954 THR OG1 : rot 160:sc= 0.894 USER MOD Set 3.1: A 936 GLN : amide:sc= 1.55 K(o=2.1,f=-7.9!) USER MOD Set 3.2: A 953 TYR OH : rot 180:sc= 0.546 USER MOD Set 4.1: A 928 THR OG1 : rot -150:sc= -0.229 USER MOD Set 4.2: A1029 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 927 HIS : no HE2:sc= 0.736 K(o=0.74,f=-2.3!) USER MOD Single : A 931 THR OG1 : rot 180:sc= 0 USER MOD Single : A 935 TYR OH : rot 92:sc= 1.26 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= 0 X(o=0,f=0) USER MOD Single : A 960 LYS NZ :NH3+ -166:sc= 1.22 (180deg=0.858) USER MOD Single : A 963 SER OG : rot -64:sc= 0.479 USER MOD Single : A 965 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 968 THR OG1 : rot 180:sc= 0 USER MOD Single : A 969 CYS SG : rot 180:sc= 0.149 USER MOD Single : A 981 SER OG : rot 51:sc= 0.336 USER MOD Single : A 982 TYR OH : rot 180:sc= 0 USER MOD Single : A 985 ASN : amide:sc= -0.0967 X(o=-0.097,f=-0.37) 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= -0.252 USER MOD Single : A1003 HIS : no HD1:sc= -0.843 K(o=-0.84,f=0.027) USER MOD Single : A1004 LYS NZ :NH3+ 172:sc=-0.00837 (180deg=-0.0796) USER MOD Single : A1006 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1013 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00325) USER MOD Single : A1014 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1015 TYR OH : rot 180:sc= 0 USER MOD Single : A1016 HIS : no HE2:sc= -8.92! C(o=-8.9!,f=-16!) USER MOD Single : A1017 THR OG1 : rot -139:sc= 0.602 USER MOD Single : A1026 LYS NZ :NH3+ -162:sc= 1.27 (180deg=0.958) USER MOD Single : A1028 LYS NZ :NH3+ 159:sc= 1.13 (180deg=1.1) USER MOD Single : A1032 THR OG1 : rot -122:sc= 1.21 USER MOD Single : A1033 GLN : amide:sc= -3.7! C(o=-3.7!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 121 N HIS A 927 -1.450 -18.667 14.283 1.00 0.00 N ATOM 122 CA HIS A 927 -0.884 -18.626 12.954 1.00 0.00 C ATOM 123 C HIS A 927 0.177 -17.551 12.982 1.00 0.00 C ATOM 124 O HIS A 927 0.967 -17.436 13.923 1.00 0.00 O ATOM 125 CB HIS A 927 -1.926 -18.207 11.892 1.00 0.00 C ATOM 126 CG HIS A 927 -3.260 -18.872 11.993 1.00 0.00 C ATOM 127 ND1 HIS A 927 -3.452 -20.233 11.870 1.00 0.00 N ATOM 128 CD2 HIS A 927 -4.477 -18.340 12.229 1.00 0.00 C ATOM 129 CE1 HIS A 927 -4.731 -20.507 12.026 1.00 0.00 C ATOM 130 NE2 HIS A 927 -5.370 -19.379 12.247 1.00 0.00 N ATOM 0 HA HIS A 927 -0.507 -19.615 12.694 1.00 0.00 H new ATOM 0 HB2 HIS A 927 -2.072 -17.129 11.959 1.00 0.00 H new ATOM 0 HB3 HIS A 927 -1.513 -18.412 10.904 1.00 0.00 H new ATOM 0 HD1 HIS A 927 -2.719 -20.919 11.687 1.00 0.00 H new ATOM 0 HD2 HIS A 927 -4.704 -17.294 12.376 1.00 0.00 H new ATOM 0 HE1 HIS A 927 -5.178 -21.489 11.980 1.00 0.00 H new ATOM 139 N THR A 928 0.183 -16.793 11.921 1.00 0.00 N ATOM 140 CA THR A 928 0.924 -15.594 11.769 1.00 0.00 C ATOM 141 C THR A 928 0.329 -15.025 10.512 1.00 0.00 C ATOM 142 O THR A 928 0.315 -15.711 9.490 1.00 0.00 O ATOM 143 CB THR A 928 2.421 -15.779 11.499 1.00 0.00 C ATOM 144 OG1 THR A 928 2.919 -17.003 12.070 1.00 0.00 O ATOM 145 CG2 THR A 928 3.185 -14.614 12.094 1.00 0.00 C ATOM 0 H THR A 928 -0.368 -17.020 11.093 1.00 0.00 H new ATOM 0 HA THR A 928 0.865 -15.001 12.682 1.00 0.00 H new ATOM 0 HB THR A 928 2.563 -15.823 10.419 1.00 0.00 H new ATOM 0 HG1 THR A 928 3.862 -16.891 12.312 1.00 0.00 H new ATOM 0 HG21 THR A 928 4.251 -14.742 11.904 1.00 0.00 H new ATOM 0 HG22 THR A 928 2.844 -13.685 11.638 1.00 0.00 H new ATOM 0 HG23 THR A 928 3.011 -14.576 13.169 1.00 0.00 H new ATOM 153 N GLU A 929 -0.283 -13.894 10.591 1.00 0.00 N ATOM 154 CA GLU A 929 -0.771 -13.252 9.408 1.00 0.00 C ATOM 155 C GLU A 929 -0.449 -11.757 9.522 1.00 0.00 C ATOM 156 O GLU A 929 -0.685 -11.149 10.564 1.00 0.00 O ATOM 157 CB GLU A 929 -2.274 -13.503 9.191 1.00 0.00 C ATOM 158 CG GLU A 929 -3.202 -12.883 10.200 1.00 0.00 C ATOM 159 CD GLU A 929 -3.192 -13.550 11.551 1.00 0.00 C ATOM 160 OE1 GLU A 929 -3.519 -14.748 11.625 1.00 0.00 O ATOM 161 OE2 GLU A 929 -2.903 -12.873 12.561 1.00 0.00 O ATOM 0 H GLU A 929 -0.460 -13.390 11.460 1.00 0.00 H new ATOM 0 HA GLU A 929 -0.279 -13.672 8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 929 -2.544 -13.131 8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 929 -2.444 -14.580 9.184 1.00 0.00 H new ATOM 0 HG2 GLU A 929 -2.934 -11.834 10.325 1.00 0.00 H new ATOM 0 HG3 GLU A 929 -4.217 -12.908 9.804 1.00 0.00 H new ATOM 168 N PHE A 930 0.149 -11.188 8.504 1.00 0.00 N ATOM 169 CA PHE A 930 0.549 -9.797 8.506 1.00 0.00 C ATOM 170 C PHE A 930 -0.143 -9.101 7.334 1.00 0.00 C ATOM 171 O PHE A 930 -0.288 -9.697 6.272 1.00 0.00 O ATOM 172 CB PHE A 930 2.079 -9.757 8.362 1.00 0.00 C ATOM 173 CG PHE A 930 2.730 -8.406 8.477 1.00 0.00 C ATOM 174 CD1 PHE A 930 3.114 -7.918 9.714 1.00 0.00 C ATOM 175 CD2 PHE A 930 2.991 -7.644 7.351 1.00 0.00 C ATOM 176 CE1 PHE A 930 3.741 -6.690 9.826 1.00 0.00 C ATOM 177 CE2 PHE A 930 3.613 -6.414 7.458 1.00 0.00 C ATOM 178 CZ PHE A 930 3.989 -5.938 8.696 1.00 0.00 C ATOM 0 H PHE A 930 0.375 -11.681 7.640 1.00 0.00 H new ATOM 0 HA PHE A 930 0.265 -9.285 9.425 1.00 0.00 H new ATOM 0 HB2 PHE A 930 2.510 -10.409 9.122 1.00 0.00 H new ATOM 0 HB3 PHE A 930 2.341 -10.180 7.392 1.00 0.00 H new ATOM 0 HD1 PHE A 930 2.922 -8.502 10.602 1.00 0.00 H new ATOM 0 HD2 PHE A 930 2.705 -8.015 6.378 1.00 0.00 H new ATOM 0 HE1 PHE A 930 4.036 -6.320 10.797 1.00 0.00 H new ATOM 0 HE2 PHE A 930 3.804 -5.826 6.572 1.00 0.00 H new ATOM 0 HZ PHE A 930 4.477 -4.978 8.781 1.00 0.00 H new ATOM 188 N THR A 931 -0.644 -7.900 7.541 1.00 0.00 N ATOM 189 CA THR A 931 -1.238 -7.146 6.450 1.00 0.00 C ATOM 190 C THR A 931 -0.132 -6.538 5.591 1.00 0.00 C ATOM 191 O THR A 931 0.683 -5.750 6.081 1.00 0.00 O ATOM 192 CB THR A 931 -2.171 -6.028 6.968 1.00 0.00 C ATOM 193 OG1 THR A 931 -3.132 -6.590 7.875 1.00 0.00 O ATOM 194 CG2 THR A 931 -2.908 -5.344 5.811 1.00 0.00 C ATOM 0 H THR A 931 -0.653 -7.427 8.444 1.00 0.00 H new ATOM 0 HA THR A 931 -1.841 -7.832 5.855 1.00 0.00 H new ATOM 0 HB THR A 931 -1.562 -5.283 7.479 1.00 0.00 H new ATOM 0 HG1 THR A 931 -3.723 -5.882 8.205 1.00 0.00 H new ATOM 0 HG21 THR A 931 -3.557 -4.562 6.205 1.00 0.00 H new ATOM 0 HG22 THR A 931 -2.182 -4.903 5.127 1.00 0.00 H new ATOM 0 HG23 THR A 931 -3.509 -6.080 5.277 1.00 0.00 H new ATOM 202 N ASP A 932 -0.136 -6.866 4.310 1.00 0.00 N ATOM 203 CA ASP A 932 0.902 -6.383 3.419 1.00 0.00 C ATOM 204 C ASP A 932 0.317 -5.156 2.746 1.00 0.00 C ATOM 205 O ASP A 932 -0.895 -4.900 2.889 1.00 0.00 O ATOM 206 CB ASP A 932 1.293 -7.442 2.373 1.00 0.00 C ATOM 207 CG ASP A 932 2.703 -7.258 1.821 1.00 0.00 C ATOM 208 OD1 ASP A 932 3.021 -6.203 1.230 1.00 0.00 O ATOM 209 OD2 ASP A 932 3.534 -8.177 1.992 1.00 0.00 O ATOM 0 H ASP A 932 -0.839 -7.459 3.868 1.00 0.00 H new ATOM 0 HA ASP A 932 1.815 -6.154 3.968 1.00 0.00 H new ATOM 0 HB2 ASP A 932 1.213 -8.432 2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 932 0.581 -7.408 1.549 1.00 0.00 H new ATOM 214 N GLU A 933 1.094 -4.459 1.953 1.00 0.00 N ATOM 215 CA GLU A 933 0.659 -3.187 1.438 1.00 0.00 C ATOM 216 C GLU A 933 1.591 -2.697 0.340 1.00 0.00 C ATOM 217 O GLU A 933 2.801 -2.947 0.361 1.00 0.00 O ATOM 218 CB GLU A 933 0.572 -2.158 2.572 1.00 0.00 C ATOM 219 CG GLU A 933 1.911 -1.702 3.145 1.00 0.00 C ATOM 220 CD GLU A 933 1.745 -0.721 4.286 1.00 0.00 C ATOM 221 OE1 GLU A 933 1.590 0.501 4.033 1.00 0.00 O ATOM 222 OE2 GLU A 933 1.738 -1.153 5.459 1.00 0.00 O ATOM 0 H GLU A 933 2.024 -4.750 1.653 1.00 0.00 H new ATOM 0 HA GLU A 933 -0.333 -3.313 1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 933 0.036 -1.283 2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 933 -0.024 -2.582 3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 933 2.469 -2.571 3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 933 2.503 -1.240 2.355 1.00 0.00 H new ATOM 229 N VAL A 934 1.002 -2.063 -0.637 1.00 0.00 N ATOM 230 CA VAL A 934 1.734 -1.397 -1.703 1.00 0.00 C ATOM 231 C VAL A 934 1.070 -0.049 -1.901 1.00 0.00 C ATOM 232 O VAL A 934 0.145 0.274 -1.164 1.00 0.00 O ATOM 233 CB VAL A 934 1.733 -2.265 -2.991 1.00 0.00 C ATOM 234 CG1 VAL A 934 0.344 -2.434 -3.587 1.00 0.00 C ATOM 235 CG2 VAL A 934 2.733 -1.804 -4.054 1.00 0.00 C ATOM 0 H VAL A 934 -0.011 -1.988 -0.725 1.00 0.00 H new ATOM 0 HA VAL A 934 2.785 -1.255 -1.450 1.00 0.00 H new ATOM 0 HB VAL A 934 2.072 -3.245 -2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 934 0.406 -3.049 -4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 934 -0.308 -2.918 -2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 934 -0.063 -1.456 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 934 2.671 -2.461 -4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 934 2.499 -0.783 -4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 934 3.742 -1.839 -3.644 1.00 0.00 H new ATOM 245 N TYR A 935 1.511 0.738 -2.844 1.00 0.00 N ATOM 246 CA TYR A 935 0.943 2.037 -3.055 1.00 0.00 C ATOM 247 C TYR A 935 0.773 2.266 -4.534 1.00 0.00 C ATOM 248 O TYR A 935 1.587 1.816 -5.335 1.00 0.00 O ATOM 249 CB TYR A 935 1.841 3.108 -2.476 1.00 0.00 C ATOM 250 CG TYR A 935 2.064 3.001 -0.984 1.00 0.00 C ATOM 251 CD1 TYR A 935 1.081 3.369 -0.070 1.00 0.00 C ATOM 252 CD2 TYR A 935 3.258 2.508 -0.492 1.00 0.00 C ATOM 253 CE1 TYR A 935 1.296 3.250 1.293 1.00 0.00 C ATOM 254 CE2 TYR A 935 3.475 2.385 0.862 1.00 0.00 C ATOM 255 CZ TYR A 935 2.501 2.759 1.749 1.00 0.00 C ATOM 256 OH TYR A 935 2.728 2.615 3.097 1.00 0.00 O ATOM 0 H TYR A 935 2.269 0.497 -3.483 1.00 0.00 H new ATOM 0 HA TYR A 935 -0.025 2.088 -2.556 1.00 0.00 H new ATOM 0 HB2 TYR A 935 2.807 3.065 -2.979 1.00 0.00 H new ATOM 0 HB3 TYR A 935 1.410 4.084 -2.697 1.00 0.00 H new ATOM 0 HD1 TYR A 935 0.137 3.753 -0.429 1.00 0.00 H new ATOM 0 HD2 TYR A 935 4.035 2.214 -1.182 1.00 0.00 H new ATOM 0 HE1 TYR A 935 0.526 3.539 1.993 1.00 0.00 H new ATOM 0 HE2 TYR A 935 4.414 1.993 1.225 1.00 0.00 H new ATOM 0 HH TYR A 935 2.481 1.709 3.375 1.00 0.00 H new ATOM 266 N GLN A 936 -0.269 2.982 -4.863 1.00 0.00 N ATOM 267 CA GLN A 936 -0.612 3.307 -6.224 1.00 0.00 C ATOM 268 C GLN A 936 -0.521 4.810 -6.339 1.00 0.00 C ATOM 269 O GLN A 936 -1.215 5.521 -5.621 1.00 0.00 O ATOM 270 CB GLN A 936 -2.029 2.867 -6.533 1.00 0.00 C ATOM 271 CG GLN A 936 -2.408 3.000 -7.993 1.00 0.00 C ATOM 272 CD GLN A 936 -3.882 2.786 -8.177 1.00 0.00 C ATOM 273 OE1 GLN A 936 -4.662 3.723 -8.180 1.00 0.00 O ATOM 274 NE2 GLN A 936 -4.285 1.553 -8.239 1.00 0.00 N ATOM 0 H GLN A 936 -0.919 3.365 -4.177 1.00 0.00 H new ATOM 0 HA GLN A 936 0.057 2.803 -6.922 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -2.150 1.827 -6.229 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -2.721 3.457 -5.933 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -2.130 3.989 -8.358 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -1.853 2.274 -8.586 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -3.605 0.793 -8.234 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -5.282 1.344 -8.292 1.00 0.00 H new ATOM 283 N ASN A 937 0.360 5.271 -7.181 1.00 0.00 N ATOM 284 CA ASN A 937 0.633 6.683 -7.334 1.00 0.00 C ATOM 285 C ASN A 937 0.117 7.207 -8.650 1.00 0.00 C ATOM 286 O ASN A 937 0.182 6.545 -9.693 1.00 0.00 O ATOM 287 CB ASN A 937 2.137 6.965 -7.303 1.00 0.00 C ATOM 288 CG ASN A 937 2.830 6.527 -6.042 1.00 0.00 C ATOM 289 OD1 ASN A 937 3.016 7.299 -5.098 1.00 0.00 O ATOM 290 ND2 ASN A 937 3.203 5.277 -6.017 1.00 0.00 N ATOM 0 H ASN A 937 0.919 4.674 -7.791 1.00 0.00 H new ATOM 0 HA ASN A 937 0.130 7.178 -6.503 1.00 0.00 H new ATOM 0 HB2 ASN A 937 2.605 6.465 -8.151 1.00 0.00 H new ATOM 0 HB3 ASN A 937 2.296 8.035 -7.436 1.00 0.00 H new ATOM 0 HD21 ASN A 937 3.670 4.901 -5.192 1.00 0.00 H new ATOM 0 HD22 ASN A 937 3.028 4.676 -6.822 1.00 0.00 H new ATOM 297 N GLU A 938 -0.378 8.402 -8.569 1.00 0.00 N ATOM 298 CA GLU A 938 -0.755 9.199 -9.716 1.00 0.00 C ATOM 299 C GLU A 938 -0.083 10.537 -9.532 1.00 0.00 C ATOM 300 O GLU A 938 0.376 10.856 -8.422 1.00 0.00 O ATOM 301 CB GLU A 938 -2.262 9.387 -9.795 1.00 0.00 C ATOM 302 CG GLU A 938 -3.042 8.116 -10.051 1.00 0.00 C ATOM 303 CD GLU A 938 -4.521 8.375 -10.171 1.00 0.00 C ATOM 304 OE1 GLU A 938 -5.100 9.012 -9.272 1.00 0.00 O ATOM 305 OE2 GLU A 938 -5.122 7.971 -11.187 1.00 0.00 O ATOM 0 H GLU A 938 -0.540 8.873 -7.679 1.00 0.00 H new ATOM 0 HA GLU A 938 -0.450 8.707 -10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -2.609 9.829 -8.861 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -2.485 10.101 -10.588 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -2.681 7.647 -10.966 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -2.862 7.411 -9.239 1.00 0.00 H new ATOM 312 N SER A 939 0.023 11.307 -10.578 1.00 0.00 N ATOM 313 CA SER A 939 0.665 12.589 -10.482 1.00 0.00 C ATOM 314 C SER A 939 0.027 13.587 -11.426 1.00 0.00 C ATOM 315 O SER A 939 -0.578 13.210 -12.433 1.00 0.00 O ATOM 316 CB SER A 939 2.160 12.446 -10.760 1.00 0.00 C ATOM 317 OG SER A 939 2.759 11.505 -9.870 1.00 0.00 O ATOM 0 H SER A 939 -0.326 11.070 -11.507 1.00 0.00 H new ATOM 0 HA SER A 939 0.536 12.969 -9.468 1.00 0.00 H new ATOM 0 HB2 SER A 939 2.313 12.125 -11.790 1.00 0.00 H new ATOM 0 HB3 SER A 939 2.648 13.415 -10.652 1.00 0.00 H new ATOM 0 HG SER A 939 3.716 11.430 -10.069 1.00 0.00 H new ATOM 323 N ARG A 940 0.121 14.846 -11.050 1.00 0.00 N ATOM 324 CA ARG A 940 -0.367 15.945 -11.829 1.00 0.00 C ATOM 325 C ARG A 940 0.491 17.150 -11.561 1.00 0.00 C ATOM 326 O ARG A 940 1.233 17.171 -10.578 1.00 0.00 O ATOM 327 CB ARG A 940 -1.809 16.293 -11.491 1.00 0.00 C ATOM 328 CG ARG A 940 -2.115 16.631 -10.033 1.00 0.00 C ATOM 329 CD ARG A 940 -3.509 17.196 -9.983 1.00 0.00 C ATOM 330 NE ARG A 940 -4.060 17.472 -8.660 1.00 0.00 N ATOM 331 CZ ARG A 940 -5.061 18.338 -8.466 1.00 0.00 C ATOM 332 NH1 ARG A 940 -5.464 19.119 -9.463 1.00 0.00 N ATOM 333 NH2 ARG A 940 -5.692 18.398 -7.308 1.00 0.00 N ATOM 0 H ARG A 940 0.551 15.131 -10.170 1.00 0.00 H new ATOM 0 HA ARG A 940 -0.326 15.652 -12.878 1.00 0.00 H new ATOM 0 HB2 ARG A 940 -2.106 17.143 -12.106 1.00 0.00 H new ATOM 0 HB3 ARG A 940 -2.438 15.453 -11.784 1.00 0.00 H new ATOM 0 HG2 ARG A 940 -2.040 15.741 -9.409 1.00 0.00 H new ATOM 0 HG3 ARG A 940 -1.395 17.352 -9.647 1.00 0.00 H new ATOM 0 HD2 ARG A 940 -3.521 18.123 -10.556 1.00 0.00 H new ATOM 0 HD3 ARG A 940 -4.176 16.499 -10.490 1.00 0.00 H new ATOM 0 HE ARG A 940 -3.667 16.987 -7.853 1.00 0.00 H new ATOM 0 HH11 ARG A 940 -5.010 19.058 -10.374 1.00 0.00 H new ATOM 0 HH12 ARG A 940 -6.227 19.780 -9.317 1.00 0.00 H new ATOM 0 HH21 ARG A 940 -5.418 17.778 -6.545 1.00 0.00 H new ATOM 0 HH22 ARG A 940 -6.453 19.064 -7.176 1.00 0.00 H new ATOM 347 N TYR A 941 0.457 18.103 -12.462 1.00 0.00 N ATOM 348 CA TYR A 941 1.084 19.384 -12.190 1.00 0.00 C ATOM 349 C TYR A 941 0.139 20.105 -11.235 1.00 0.00 C ATOM 350 O TYR A 941 -1.032 19.700 -11.129 1.00 0.00 O ATOM 351 CB TYR A 941 1.200 20.255 -13.445 1.00 0.00 C ATOM 352 CG TYR A 941 1.448 19.526 -14.743 1.00 0.00 C ATOM 353 CD1 TYR A 941 2.676 18.949 -15.046 1.00 0.00 C ATOM 354 CD2 TYR A 941 0.428 19.433 -15.679 1.00 0.00 C ATOM 355 CE1 TYR A 941 2.874 18.296 -16.252 1.00 0.00 C ATOM 356 CE2 TYR A 941 0.618 18.790 -16.879 1.00 0.00 C ATOM 357 CZ TYR A 941 1.838 18.223 -17.164 1.00 0.00 C ATOM 358 OH TYR A 941 2.013 17.584 -18.372 1.00 0.00 O ATOM 0 H TYR A 941 0.011 18.024 -13.376 1.00 0.00 H new ATOM 0 HA TYR A 941 2.088 19.220 -11.799 1.00 0.00 H new ATOM 0 HB2 TYR A 941 0.281 20.833 -13.547 1.00 0.00 H new ATOM 0 HB3 TYR A 941 2.010 20.968 -13.293 1.00 0.00 H new ATOM 0 HD1 TYR A 941 3.485 19.010 -14.333 1.00 0.00 H new ATOM 0 HD2 TYR A 941 -0.533 19.874 -15.461 1.00 0.00 H new ATOM 0 HE1 TYR A 941 3.830 17.848 -16.478 1.00 0.00 H new ATOM 0 HE2 TYR A 941 -0.188 18.730 -17.595 1.00 0.00 H new ATOM 0 HH TYR A 941 1.181 17.627 -18.888 1.00 0.00 H new ATOM 368 N PRO A 942 0.580 21.140 -10.508 1.00 0.00 N ATOM 369 CA PRO A 942 -0.347 21.957 -9.734 1.00 0.00 C ATOM 370 C PRO A 942 -1.268 22.711 -10.689 1.00 0.00 C ATOM 371 O PRO A 942 -0.915 23.771 -11.213 1.00 0.00 O ATOM 372 CB PRO A 942 0.558 22.914 -8.953 1.00 0.00 C ATOM 373 CG PRO A 942 1.923 22.309 -9.028 1.00 0.00 C ATOM 374 CD PRO A 942 1.975 21.566 -10.332 1.00 0.00 C ATOM 0 HA PRO A 942 -0.989 21.381 -9.068 1.00 0.00 H new ATOM 0 HB2 PRO A 942 0.545 23.913 -9.389 1.00 0.00 H new ATOM 0 HB3 PRO A 942 0.227 23.014 -7.919 1.00 0.00 H new ATOM 0 HG2 PRO A 942 2.694 23.079 -8.986 1.00 0.00 H new ATOM 0 HG3 PRO A 942 2.098 21.636 -8.188 1.00 0.00 H new ATOM 0 HD2 PRO A 942 2.311 22.203 -11.150 1.00 0.00 H new ATOM 0 HD3 PRO A 942 2.657 20.717 -10.289 1.00 0.00 H new ATOM 382 N GLY A 943 -2.413 22.119 -10.972 1.00 0.00 N ATOM 383 CA GLY A 943 -3.300 22.648 -11.988 1.00 0.00 C ATOM 384 C GLY A 943 -3.522 21.633 -13.106 1.00 0.00 C ATOM 385 O GLY A 943 -4.041 21.963 -14.172 1.00 0.00 O ATOM 0 H GLY A 943 -2.749 21.273 -10.513 1.00 0.00 H new ATOM 0 HA2 GLY A 943 -4.257 22.913 -11.538 1.00 0.00 H new ATOM 0 HA3 GLY A 943 -2.878 23.564 -12.402 1.00 0.00 H new ATOM 389 N GLY A 944 -3.079 20.403 -12.860 1.00 0.00 N ATOM 390 CA GLY A 944 -3.300 19.322 -13.801 1.00 0.00 C ATOM 391 C GLY A 944 -4.301 18.380 -13.205 1.00 0.00 C ATOM 392 O GLY A 944 -4.857 18.701 -12.150 1.00 0.00 O ATOM 0 H GLY A 944 -2.567 20.136 -12.019 1.00 0.00 H new ATOM 0 HA2 GLY A 944 -3.665 19.713 -14.751 1.00 0.00 H new ATOM 0 HA3 GLY A 944 -2.365 18.802 -14.009 1.00 0.00 H new ATOM 396 N ASP A 945 -4.582 17.250 -13.822 1.00 0.00 N ATOM 397 CA ASP A 945 -5.379 16.237 -13.165 1.00 0.00 C ATOM 398 C ASP A 945 -4.505 14.998 -13.119 1.00 0.00 C ATOM 399 O ASP A 945 -3.537 14.917 -13.887 1.00 0.00 O ATOM 400 CB ASP A 945 -6.687 15.966 -13.915 1.00 0.00 C ATOM 401 CG ASP A 945 -7.601 15.037 -13.142 1.00 0.00 C ATOM 402 OD1 ASP A 945 -8.289 15.505 -12.209 1.00 0.00 O ATOM 403 OD2 ASP A 945 -7.618 13.830 -13.427 1.00 0.00 O ATOM 0 H ASP A 945 -4.275 17.013 -14.765 1.00 0.00 H new ATOM 0 HA ASP A 945 -5.678 16.558 -12.167 1.00 0.00 H new ATOM 0 HB2 ASP A 945 -7.201 16.909 -14.100 1.00 0.00 H new ATOM 0 HB3 ASP A 945 -6.463 15.528 -14.888 1.00 0.00 H new ATOM 408 N TRP A 946 -4.793 14.070 -12.235 1.00 0.00 N ATOM 409 CA TRP A 946 -3.934 12.948 -12.005 1.00 0.00 C ATOM 410 C TRP A 946 -3.964 11.984 -13.168 1.00 0.00 C ATOM 411 O TRP A 946 -5.024 11.526 -13.595 1.00 0.00 O ATOM 412 CB TRP A 946 -4.366 12.220 -10.740 1.00 0.00 C ATOM 413 CG TRP A 946 -4.554 13.112 -9.583 1.00 0.00 C ATOM 414 CD1 TRP A 946 -5.709 13.686 -9.163 1.00 0.00 C ATOM 415 CD2 TRP A 946 -3.538 13.535 -8.697 1.00 0.00 C ATOM 416 NE1 TRP A 946 -5.459 14.445 -8.059 1.00 0.00 N ATOM 417 CE2 TRP A 946 -4.134 14.365 -7.748 1.00 0.00 C ATOM 418 CE3 TRP A 946 -2.179 13.286 -8.618 1.00 0.00 C ATOM 419 CZ2 TRP A 946 -3.411 14.954 -6.724 1.00 0.00 C ATOM 420 CZ3 TRP A 946 -1.463 13.870 -7.611 1.00 0.00 C ATOM 421 CH2 TRP A 946 -2.078 14.697 -6.672 1.00 0.00 C ATOM 0 H TRP A 946 -5.634 14.079 -11.657 1.00 0.00 H new ATOM 0 HA TRP A 946 -2.916 13.323 -11.893 1.00 0.00 H new ATOM 0 HB2 TRP A 946 -5.298 11.691 -10.936 1.00 0.00 H new ATOM 0 HB3 TRP A 946 -3.618 11.467 -10.490 1.00 0.00 H new ATOM 0 HD1 TRP A 946 -6.675 13.561 -9.630 1.00 0.00 H new ATOM 0 HE1 TRP A 946 -6.154 14.988 -7.546 1.00 0.00 H new ATOM 0 HE3 TRP A 946 -1.694 12.643 -9.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 946 -3.888 15.593 -5.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 946 -0.401 13.687 -7.541 1.00 0.00 H new ATOM 0 HH2 TRP A 946 -1.483 15.142 -5.888 1.00 0.00 H new ATOM 432 N LYS A 947 -2.804 11.691 -13.674 1.00 0.00 N ATOM 433 CA LYS A 947 -2.623 10.642 -14.638 1.00 0.00 C ATOM 434 C LYS A 947 -1.763 9.652 -13.891 1.00 0.00 C ATOM 435 O LYS A 947 -1.354 9.984 -12.782 1.00 0.00 O ATOM 436 CB LYS A 947 -1.897 11.140 -15.891 1.00 0.00 C ATOM 437 CG LYS A 947 -2.629 12.208 -16.676 1.00 0.00 C ATOM 438 CD LYS A 947 -1.923 12.444 -17.995 1.00 0.00 C ATOM 439 CE LYS A 947 -2.544 13.567 -18.800 1.00 0.00 C ATOM 440 NZ LYS A 947 -1.942 13.641 -20.155 1.00 0.00 N ATOM 0 H LYS A 947 -1.943 12.179 -13.427 1.00 0.00 H new ATOM 0 HA LYS A 947 -3.567 10.231 -14.996 1.00 0.00 H new ATOM 0 HB2 LYS A 947 -0.923 11.531 -15.596 1.00 0.00 H new ATOM 0 HB3 LYS A 947 -1.714 10.290 -16.548 1.00 0.00 H new ATOM 0 HG2 LYS A 947 -3.660 11.901 -16.854 1.00 0.00 H new ATOM 0 HG3 LYS A 947 -2.667 13.134 -16.102 1.00 0.00 H new ATOM 0 HD2 LYS A 947 -0.875 12.676 -17.805 1.00 0.00 H new ATOM 0 HD3 LYS A 947 -1.945 11.526 -18.583 1.00 0.00 H new ATOM 0 HE2 LYS A 947 -3.619 13.409 -18.883 1.00 0.00 H new ATOM 0 HE3 LYS A 947 -2.400 14.515 -18.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 947 -2.383 14.417 -20.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 947 -0.920 13.814 -20.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 947 -2.101 12.743 -20.655 1.00 0.00 H new ATOM 454 N PRO A 948 -1.484 8.450 -14.393 1.00 0.00 N ATOM 455 CA PRO A 948 -0.582 7.545 -13.692 1.00 0.00 C ATOM 456 C PRO A 948 0.771 8.200 -13.403 1.00 0.00 C ATOM 457 O PRO A 948 1.247 9.062 -14.156 1.00 0.00 O ATOM 458 CB PRO A 948 -0.419 6.377 -14.665 1.00 0.00 C ATOM 459 CG PRO A 948 -1.658 6.404 -15.489 1.00 0.00 C ATOM 460 CD PRO A 948 -2.029 7.852 -15.623 1.00 0.00 C ATOM 0 HA PRO A 948 -0.971 7.246 -12.719 1.00 0.00 H new ATOM 0 HB2 PRO A 948 0.471 6.496 -15.283 1.00 0.00 H new ATOM 0 HB3 PRO A 948 -0.315 5.430 -14.135 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -1.488 5.952 -16.466 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -2.458 5.838 -15.011 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -1.593 8.299 -16.516 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -3.108 7.987 -15.693 1.00 0.00 H new ATOM 468 N ALA A 949 1.365 7.809 -12.293 1.00 0.00 N ATOM 469 CA ALA A 949 2.707 8.272 -11.943 1.00 0.00 C ATOM 470 C ALA A 949 3.733 7.660 -12.902 1.00 0.00 C ATOM 471 O ALA A 949 3.381 6.987 -13.877 1.00 0.00 O ATOM 472 CB ALA A 949 3.044 7.900 -10.512 1.00 0.00 C ATOM 0 H ALA A 949 0.946 7.173 -11.614 1.00 0.00 H new ATOM 0 HA ALA A 949 2.736 9.358 -12.031 1.00 0.00 H new ATOM 0 HB1 ALA A 949 4.047 8.253 -10.271 1.00 0.00 H new ATOM 0 HB2 ALA A 949 2.324 8.362 -9.837 1.00 0.00 H new ATOM 0 HB3 ALA A 949 3.004 6.817 -10.399 1.00 0.00 H new ATOM 478 N GLU A 950 4.993 7.824 -12.588 1.00 0.00 N ATOM 479 CA GLU A 950 6.054 7.301 -13.433 1.00 0.00 C ATOM 480 C GLU A 950 6.496 5.980 -12.821 1.00 0.00 C ATOM 481 O GLU A 950 6.898 5.037 -13.510 1.00 0.00 O ATOM 482 CB GLU A 950 7.226 8.290 -13.570 1.00 0.00 C ATOM 483 CG GLU A 950 7.968 8.635 -12.282 1.00 0.00 C ATOM 484 CD GLU A 950 7.114 9.352 -11.270 1.00 0.00 C ATOM 485 OE1 GLU A 950 6.436 8.686 -10.461 1.00 0.00 O ATOM 486 OE2 GLU A 950 7.085 10.593 -11.291 1.00 0.00 O ATOM 0 H GLU A 950 5.317 8.315 -11.754 1.00 0.00 H new ATOM 0 HA GLU A 950 5.689 7.149 -14.449 1.00 0.00 H new ATOM 0 HB2 GLU A 950 7.943 7.876 -14.279 1.00 0.00 H new ATOM 0 HB3 GLU A 950 6.846 9.214 -14.005 1.00 0.00 H new ATOM 0 HG2 GLU A 950 8.352 7.717 -11.836 1.00 0.00 H new ATOM 0 HG3 GLU A 950 8.830 9.257 -12.524 1.00 0.00 H new ATOM 493 N ASP A 951 6.336 5.918 -11.511 1.00 0.00 N ATOM 494 CA ASP A 951 6.545 4.730 -10.736 1.00 0.00 C ATOM 495 C ASP A 951 5.210 4.486 -10.088 1.00 0.00 C ATOM 496 O ASP A 951 4.905 5.052 -9.044 1.00 0.00 O ATOM 497 CB ASP A 951 7.639 4.896 -9.669 1.00 0.00 C ATOM 498 CG ASP A 951 8.979 5.283 -10.249 1.00 0.00 C ATOM 499 OD1 ASP A 951 9.452 4.609 -11.188 1.00 0.00 O ATOM 500 OD2 ASP A 951 9.593 6.261 -9.768 1.00 0.00 O ATOM 0 H ASP A 951 6.049 6.721 -10.951 1.00 0.00 H new ATOM 0 HA ASP A 951 6.888 3.904 -11.359 1.00 0.00 H new ATOM 0 HB2 ASP A 951 7.327 5.656 -8.952 1.00 0.00 H new ATOM 0 HB3 ASP A 951 7.745 3.962 -9.117 1.00 0.00 H new ATOM 505 N THR A 952 4.365 3.760 -10.794 1.00 0.00 N ATOM 506 CA THR A 952 2.995 3.574 -10.374 1.00 0.00 C ATOM 507 C THR A 952 2.928 2.859 -9.029 1.00 0.00 C ATOM 508 O THR A 952 2.301 3.347 -8.100 1.00 0.00 O ATOM 509 CB THR A 952 2.202 2.815 -11.451 1.00 0.00 C ATOM 510 OG1 THR A 952 2.432 3.454 -12.719 1.00 0.00 O ATOM 511 CG2 THR A 952 0.709 2.834 -11.145 1.00 0.00 C ATOM 0 H THR A 952 4.608 3.288 -11.665 1.00 0.00 H new ATOM 0 HA THR A 952 2.538 4.555 -10.246 1.00 0.00 H new ATOM 0 HB THR A 952 2.534 1.777 -11.472 1.00 0.00 H new ATOM 0 HG1 THR A 952 1.935 2.981 -13.419 1.00 0.00 H new ATOM 0 HG21 THR A 952 0.171 2.290 -11.922 1.00 0.00 H new ATOM 0 HG22 THR A 952 0.529 2.360 -10.180 1.00 0.00 H new ATOM 0 HG23 THR A 952 0.357 3.865 -11.114 1.00 0.00 H new ATOM 519 N TYR A 953 3.593 1.737 -8.902 1.00 0.00 N ATOM 520 CA TYR A 953 3.595 1.053 -7.637 1.00 0.00 C ATOM 521 C TYR A 953 4.899 1.266 -6.906 1.00 0.00 C ATOM 522 O TYR A 953 5.988 1.130 -7.475 1.00 0.00 O ATOM 523 CB TYR A 953 3.198 -0.409 -7.799 1.00 0.00 C ATOM 524 CG TYR A 953 1.721 -0.498 -8.108 1.00 0.00 C ATOM 525 CD1 TYR A 953 0.790 -0.514 -7.081 1.00 0.00 C ATOM 526 CD2 TYR A 953 1.253 -0.501 -9.412 1.00 0.00 C ATOM 527 CE1 TYR A 953 -0.560 -0.534 -7.342 1.00 0.00 C ATOM 528 CE2 TYR A 953 -0.099 -0.532 -9.683 1.00 0.00 C ATOM 529 CZ TYR A 953 -1.001 -0.543 -8.644 1.00 0.00 C ATOM 530 OH TYR A 953 -2.352 -0.572 -8.909 1.00 0.00 O ATOM 0 H TYR A 953 4.129 1.287 -9.644 1.00 0.00 H new ATOM 0 HA TYR A 953 2.828 1.490 -6.997 1.00 0.00 H new ATOM 0 HB2 TYR A 953 3.777 -0.867 -8.601 1.00 0.00 H new ATOM 0 HB3 TYR A 953 3.424 -0.962 -6.887 1.00 0.00 H new ATOM 0 HD1 TYR A 953 1.131 -0.511 -6.056 1.00 0.00 H new ATOM 0 HD2 TYR A 953 1.958 -0.479 -10.230 1.00 0.00 H new ATOM 0 HE1 TYR A 953 -1.270 -0.543 -6.528 1.00 0.00 H new ATOM 0 HE2 TYR A 953 -0.448 -0.548 -10.705 1.00 0.00 H new ATOM 0 HH TYR A 953 -2.495 -0.574 -9.878 1.00 0.00 H new ATOM 540 N THR A 954 4.771 1.577 -5.632 1.00 0.00 N ATOM 541 CA THR A 954 5.883 2.004 -4.809 1.00 0.00 C ATOM 542 C THR A 954 5.727 1.440 -3.423 1.00 0.00 C ATOM 543 O THR A 954 4.694 0.854 -3.088 1.00 0.00 O ATOM 544 CB THR A 954 5.970 3.545 -4.692 1.00 0.00 C ATOM 545 OG1 THR A 954 4.751 4.077 -4.149 1.00 0.00 O ATOM 546 CG2 THR A 954 6.277 4.199 -6.035 1.00 0.00 C ATOM 0 H THR A 954 3.882 1.540 -5.134 1.00 0.00 H new ATOM 0 HA THR A 954 6.793 1.641 -5.287 1.00 0.00 H new ATOM 0 HB THR A 954 6.793 3.775 -4.015 1.00 0.00 H new ATOM 0 HG1 THR A 954 4.918 4.971 -3.785 1.00 0.00 H new ATOM 0 HG21 THR A 954 6.330 5.280 -5.909 1.00 0.00 H new ATOM 0 HG22 THR A 954 7.232 3.830 -6.409 1.00 0.00 H new ATOM 0 HG23 THR A 954 5.489 3.954 -6.747 1.00 0.00 H new ATOM 554 N ASP A 955 6.734 1.674 -2.620 1.00 0.00 N ATOM 555 CA ASP A 955 6.751 1.276 -1.243 1.00 0.00 C ATOM 556 C ASP A 955 6.644 2.580 -0.448 1.00 0.00 C ATOM 557 O ASP A 955 6.469 3.642 -1.065 1.00 0.00 O ATOM 558 CB ASP A 955 8.055 0.514 -0.960 1.00 0.00 C ATOM 559 CG ASP A 955 8.044 -0.265 0.340 1.00 0.00 C ATOM 560 OD1 ASP A 955 8.355 0.319 1.390 1.00 0.00 O ATOM 561 OD2 ASP A 955 7.777 -1.484 0.319 1.00 0.00 O ATOM 0 H ASP A 955 7.582 2.158 -2.916 1.00 0.00 H new ATOM 0 HA ASP A 955 5.937 0.604 -0.970 1.00 0.00 H new ATOM 0 HB2 ASP A 955 8.247 -0.175 -1.783 1.00 0.00 H new ATOM 0 HB3 ASP A 955 8.882 1.224 -0.939 1.00 0.00 H new ATOM 566 N ALA A 956 6.769 2.517 0.865 1.00 0.00 N ATOM 567 CA ALA A 956 6.567 3.669 1.755 1.00 0.00 C ATOM 568 C ALA A 956 7.353 4.921 1.345 1.00 0.00 C ATOM 569 O ALA A 956 6.843 6.040 1.444 1.00 0.00 O ATOM 570 CB ALA A 956 6.914 3.279 3.183 1.00 0.00 C ATOM 0 H ALA A 956 7.016 1.659 1.359 1.00 0.00 H new ATOM 0 HA ALA A 956 5.514 3.938 1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 956 6.763 4.135 3.841 1.00 0.00 H new ATOM 0 HB2 ALA A 956 6.272 2.458 3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 956 7.956 2.964 3.231 1.00 0.00 H new ATOM 576 N ASN A 957 8.554 4.738 0.833 1.00 0.00 N ATOM 577 CA ASN A 957 9.406 5.865 0.457 1.00 0.00 C ATOM 578 C ASN A 957 9.410 6.138 -1.044 1.00 0.00 C ATOM 579 O ASN A 957 10.230 6.916 -1.526 1.00 0.00 O ATOM 580 CB ASN A 957 10.844 5.645 0.942 1.00 0.00 C ATOM 581 CG ASN A 957 10.964 5.692 2.451 1.00 0.00 C ATOM 582 OD1 ASN A 957 11.194 6.756 3.030 1.00 0.00 O ATOM 583 ND2 ASN A 957 10.806 4.554 3.099 1.00 0.00 N ATOM 0 H ASN A 957 8.968 3.821 0.665 1.00 0.00 H new ATOM 0 HA ASN A 957 8.980 6.741 0.946 1.00 0.00 H new ATOM 0 HB2 ASN A 957 11.201 4.680 0.583 1.00 0.00 H new ATOM 0 HB3 ASN A 957 11.491 6.406 0.506 1.00 0.00 H new ATOM 0 HD21 ASN A 957 10.873 4.533 4.117 1.00 0.00 H new ATOM 0 HD22 ASN A 957 10.617 3.695 2.582 1.00 0.00 H new ATOM 590 N GLY A 958 8.512 5.519 -1.805 1.00 0.00 N ATOM 591 CA GLY A 958 8.475 5.789 -3.234 1.00 0.00 C ATOM 592 C GLY A 958 9.310 4.811 -4.001 1.00 0.00 C ATOM 593 O GLY A 958 9.460 4.934 -5.217 1.00 0.00 O ATOM 0 H GLY A 958 7.822 4.848 -1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 958 7.445 5.744 -3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 958 8.833 6.801 -3.423 1.00 0.00 H new ATOM 597 N ASP A 959 9.914 3.897 -3.263 1.00 0.00 N ATOM 598 CA ASP A 959 10.669 2.801 -3.845 1.00 0.00 C ATOM 599 C ASP A 959 9.773 2.033 -4.772 1.00 0.00 C ATOM 600 O ASP A 959 8.863 1.362 -4.303 1.00 0.00 O ATOM 601 CB ASP A 959 11.193 1.841 -2.780 1.00 0.00 C ATOM 602 CG ASP A 959 12.126 2.499 -1.810 1.00 0.00 C ATOM 603 OD1 ASP A 959 13.268 2.804 -2.197 1.00 0.00 O ATOM 604 OD2 ASP A 959 11.725 2.724 -0.652 1.00 0.00 O ATOM 0 H ASP A 959 9.895 3.893 -2.243 1.00 0.00 H new ATOM 0 HA ASP A 959 11.521 3.226 -4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 959 10.350 1.416 -2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 959 11.708 1.013 -3.267 1.00 0.00 H new ATOM 609 N LYS A 960 9.957 2.233 -6.065 1.00 0.00 N ATOM 610 CA LYS A 960 9.203 1.500 -7.071 1.00 0.00 C ATOM 611 C LYS A 960 9.264 0.015 -6.747 1.00 0.00 C ATOM 612 O LYS A 960 10.345 -0.588 -6.691 1.00 0.00 O ATOM 613 CB LYS A 960 9.724 1.806 -8.495 1.00 0.00 C ATOM 614 CG LYS A 960 8.941 1.150 -9.645 1.00 0.00 C ATOM 615 CD LYS A 960 9.291 -0.324 -9.830 1.00 0.00 C ATOM 616 CE LYS A 960 8.427 -1.013 -10.875 1.00 0.00 C ATOM 617 NZ LYS A 960 6.987 -1.028 -10.505 1.00 0.00 N ATOM 0 H LYS A 960 10.626 2.901 -6.447 1.00 0.00 H new ATOM 0 HA LYS A 960 8.161 1.820 -7.052 1.00 0.00 H new ATOM 0 HB2 LYS A 960 9.713 2.886 -8.642 1.00 0.00 H new ATOM 0 HB3 LYS A 960 10.764 1.486 -8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 960 7.872 1.244 -9.452 1.00 0.00 H new ATOM 0 HG3 LYS A 960 9.146 1.687 -10.571 1.00 0.00 H new ATOM 0 HD2 LYS A 960 10.339 -0.410 -10.119 1.00 0.00 H new ATOM 0 HD3 LYS A 960 9.180 -0.841 -8.877 1.00 0.00 H new ATOM 0 HE2 LYS A 960 8.547 -0.506 -11.832 1.00 0.00 H new ATOM 0 HE3 LYS A 960 8.774 -2.037 -11.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 960 6.479 -1.701 -11.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 960 6.887 -1.316 -9.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 960 6.586 -0.077 -10.632 1.00 0.00 H new ATOM 631 N ALA A 961 8.099 -0.540 -6.505 1.00 0.00 N ATOM 632 CA ALA A 961 7.958 -1.920 -6.113 1.00 0.00 C ATOM 633 C ALA A 961 7.075 -2.632 -7.114 1.00 0.00 C ATOM 634 O ALA A 961 6.558 -1.998 -8.044 1.00 0.00 O ATOM 635 CB ALA A 961 7.368 -2.005 -4.711 1.00 0.00 C ATOM 0 H ALA A 961 7.213 -0.039 -6.576 1.00 0.00 H new ATOM 0 HA ALA A 961 8.935 -2.402 -6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 961 7.265 -3.051 -4.423 1.00 0.00 H new ATOM 0 HB2 ALA A 961 8.028 -1.498 -4.007 1.00 0.00 H new ATOM 0 HB3 ALA A 961 6.389 -1.527 -4.699 1.00 0.00 H new ATOM 641 N ALA A 962 6.916 -3.928 -6.937 1.00 0.00 N ATOM 642 CA ALA A 962 6.089 -4.725 -7.814 1.00 0.00 C ATOM 643 C ALA A 962 4.626 -4.324 -7.684 1.00 0.00 C ATOM 644 O ALA A 962 4.183 -3.864 -6.631 1.00 0.00 O ATOM 645 CB ALA A 962 6.269 -6.205 -7.510 1.00 0.00 C ATOM 0 H ALA A 962 7.356 -4.455 -6.183 1.00 0.00 H new ATOM 0 HA ALA A 962 6.401 -4.543 -8.843 1.00 0.00 H new ATOM 0 HB1 ALA A 962 5.640 -6.793 -8.178 1.00 0.00 H new ATOM 0 HB2 ALA A 962 7.313 -6.482 -7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 962 5.983 -6.402 -6.477 1.00 0.00 H new ATOM 651 N SER A 963 3.890 -4.476 -8.761 1.00 0.00 N ATOM 652 CA SER A 963 2.490 -4.154 -8.775 1.00 0.00 C ATOM 653 C SER A 963 1.709 -5.369 -8.260 1.00 0.00 C ATOM 654 O SER A 963 2.223 -6.467 -8.327 1.00 0.00 O ATOM 655 CB SER A 963 2.108 -3.782 -10.201 1.00 0.00 C ATOM 656 OG SER A 963 2.988 -2.789 -10.712 1.00 0.00 O ATOM 0 H SER A 963 4.249 -4.826 -9.649 1.00 0.00 H new ATOM 0 HA SER A 963 2.255 -3.309 -8.128 1.00 0.00 H new ATOM 0 HB2 SER A 963 2.143 -4.668 -10.835 1.00 0.00 H new ATOM 0 HB3 SER A 963 1.082 -3.413 -10.224 1.00 0.00 H new ATOM 0 HG SER A 963 2.891 -1.966 -10.189 1.00 0.00 H new ATOM 662 N PRO A 964 0.485 -5.187 -7.739 1.00 0.00 N ATOM 663 CA PRO A 964 -0.313 -6.249 -7.091 1.00 0.00 C ATOM 664 C PRO A 964 -0.431 -7.583 -7.849 1.00 0.00 C ATOM 665 O PRO A 964 -0.531 -8.637 -7.219 1.00 0.00 O ATOM 666 CB PRO A 964 -1.698 -5.643 -6.929 1.00 0.00 C ATOM 667 CG PRO A 964 -1.634 -4.231 -7.400 1.00 0.00 C ATOM 668 CD PRO A 964 -0.204 -3.902 -7.711 1.00 0.00 C ATOM 0 HA PRO A 964 0.190 -6.530 -6.165 1.00 0.00 H new ATOM 0 HB2 PRO A 964 -2.431 -6.206 -7.507 1.00 0.00 H new ATOM 0 HB3 PRO A 964 -2.014 -5.684 -5.887 1.00 0.00 H new ATOM 0 HG2 PRO A 964 -2.255 -4.098 -8.286 1.00 0.00 H new ATOM 0 HG3 PRO A 964 -2.021 -3.558 -6.635 1.00 0.00 H new ATOM 0 HD2 PRO A 964 -0.117 -3.387 -8.668 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.222 -3.243 -6.955 1.00 0.00 H new ATOM 676 N SER A 965 -0.444 -7.558 -9.170 1.00 0.00 N ATOM 677 CA SER A 965 -0.510 -8.793 -9.943 1.00 0.00 C ATOM 678 C SER A 965 0.857 -9.476 -9.928 1.00 0.00 C ATOM 679 O SER A 965 0.990 -10.685 -9.732 1.00 0.00 O ATOM 680 CB SER A 965 -0.951 -8.466 -11.369 1.00 0.00 C ATOM 681 OG SER A 965 -0.201 -7.375 -11.888 1.00 0.00 O ATOM 0 H SER A 965 -0.410 -6.706 -9.729 1.00 0.00 H new ATOM 0 HA SER A 965 -1.236 -9.477 -9.504 1.00 0.00 H new ATOM 0 HB2 SER A 965 -0.819 -9.341 -12.006 1.00 0.00 H new ATOM 0 HB3 SER A 965 -2.013 -8.222 -11.380 1.00 0.00 H new ATOM 0 HG SER A 965 -0.496 -7.181 -12.802 1.00 0.00 H new ATOM 687 N GLU A 966 1.848 -8.646 -10.151 1.00 0.00 N ATOM 688 CA GLU A 966 3.252 -9.005 -10.139 1.00 0.00 C ATOM 689 C GLU A 966 3.689 -9.439 -8.724 1.00 0.00 C ATOM 690 O GLU A 966 4.623 -10.229 -8.566 1.00 0.00 O ATOM 691 CB GLU A 966 4.007 -7.777 -10.642 1.00 0.00 C ATOM 692 CG GLU A 966 5.487 -7.939 -10.896 1.00 0.00 C ATOM 693 CD GLU A 966 6.035 -6.684 -11.531 1.00 0.00 C ATOM 694 OE1 GLU A 966 6.354 -5.719 -10.806 1.00 0.00 O ATOM 695 OE2 GLU A 966 6.098 -6.614 -12.777 1.00 0.00 O ATOM 0 H GLU A 966 1.694 -7.658 -10.355 1.00 0.00 H new ATOM 0 HA GLU A 966 3.464 -9.860 -10.781 1.00 0.00 H new ATOM 0 HB2 GLU A 966 3.538 -7.447 -11.569 1.00 0.00 H new ATOM 0 HB3 GLU A 966 3.874 -6.976 -9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 966 6.007 -8.141 -9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 966 5.662 -8.794 -11.548 1.00 0.00 H new ATOM 702 N LEU A 967 3.000 -8.917 -7.712 1.00 0.00 N ATOM 703 CA LEU A 967 3.198 -9.278 -6.326 1.00 0.00 C ATOM 704 C LEU A 967 2.672 -10.680 -6.064 1.00 0.00 C ATOM 705 O LEU A 967 1.492 -10.977 -6.278 1.00 0.00 O ATOM 706 CB LEU A 967 2.507 -8.235 -5.440 1.00 0.00 C ATOM 707 CG LEU A 967 3.295 -6.933 -5.245 1.00 0.00 C ATOM 708 CD1 LEU A 967 2.449 -5.879 -4.551 1.00 0.00 C ATOM 709 CD2 LEU A 967 4.553 -7.200 -4.435 1.00 0.00 C ATOM 0 H LEU A 967 2.272 -8.215 -7.845 1.00 0.00 H new ATOM 0 HA LEU A 967 4.262 -9.287 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 967 1.537 -7.994 -5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 967 2.317 -8.678 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 967 3.572 -6.556 -6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 967 3.034 -4.967 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 967 1.567 -5.665 -5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 967 2.139 -6.247 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 967 5.105 -6.269 -4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 967 4.279 -7.602 -3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 967 5.179 -7.921 -4.961 1.00 0.00 H new ATOM 721 N THR A 968 3.563 -11.536 -5.620 1.00 0.00 N ATOM 722 CA THR A 968 3.249 -12.923 -5.373 1.00 0.00 C ATOM 723 C THR A 968 3.607 -13.318 -3.943 1.00 0.00 C ATOM 724 O THR A 968 4.231 -12.546 -3.203 1.00 0.00 O ATOM 725 CB THR A 968 3.996 -13.835 -6.372 1.00 0.00 C ATOM 726 OG1 THR A 968 5.395 -13.503 -6.398 1.00 0.00 O ATOM 727 CG2 THR A 968 3.420 -13.712 -7.778 1.00 0.00 C ATOM 0 H THR A 968 4.532 -11.287 -5.419 1.00 0.00 H new ATOM 0 HA THR A 968 2.175 -13.051 -5.510 1.00 0.00 H new ATOM 0 HB THR A 968 3.869 -14.864 -6.037 1.00 0.00 H new ATOM 0 HG1 THR A 968 5.858 -14.088 -7.033 1.00 0.00 H new ATOM 0 HG21 THR A 968 3.969 -14.367 -8.455 1.00 0.00 H new ATOM 0 HG22 THR A 968 2.369 -14.000 -7.767 1.00 0.00 H new ATOM 0 HG23 THR A 968 3.510 -12.681 -8.119 1.00 0.00 H new ATOM 735 N CYS A 969 3.194 -14.504 -3.554 1.00 0.00 N ATOM 736 CA CYS A 969 3.496 -15.039 -2.244 1.00 0.00 C ATOM 737 C CYS A 969 4.885 -15.674 -2.219 1.00 0.00 C ATOM 738 O CYS A 969 5.384 -16.145 -3.248 1.00 0.00 O ATOM 739 CB CYS A 969 2.439 -16.072 -1.871 1.00 0.00 C ATOM 740 SG CYS A 969 2.137 -17.277 -3.183 1.00 0.00 S ATOM 0 H CYS A 969 2.637 -15.127 -4.139 1.00 0.00 H new ATOM 0 HA CYS A 969 3.488 -14.225 -1.519 1.00 0.00 H new ATOM 0 HB2 CYS A 969 2.754 -16.596 -0.969 1.00 0.00 H new ATOM 0 HB3 CYS A 969 1.506 -15.560 -1.633 1.00 0.00 H new ATOM 0 HG CYS A 969 1.230 -18.123 -2.794 1.00 0.00 H new ATOM 746 N PRO A 970 5.561 -15.625 -1.071 1.00 0.00 N ATOM 747 CA PRO A 970 6.842 -16.300 -0.872 1.00 0.00 C ATOM 748 C PRO A 970 6.645 -17.711 -0.305 1.00 0.00 C ATOM 749 O PRO A 970 5.540 -18.053 0.140 1.00 0.00 O ATOM 750 CB PRO A 970 7.488 -15.396 0.171 1.00 0.00 C ATOM 751 CG PRO A 970 6.351 -15.037 1.047 1.00 0.00 C ATOM 752 CD PRO A 970 5.171 -14.856 0.128 1.00 0.00 C ATOM 0 HA PRO A 970 7.420 -16.434 -1.786 1.00 0.00 H new ATOM 0 HB2 PRO A 970 8.275 -15.912 0.721 1.00 0.00 H new ATOM 0 HB3 PRO A 970 7.942 -14.515 -0.283 1.00 0.00 H new ATOM 0 HG2 PRO A 970 6.159 -15.820 1.781 1.00 0.00 H new ATOM 0 HG3 PRO A 970 6.558 -14.123 1.603 1.00 0.00 H new ATOM 0 HD2 PRO A 970 4.252 -15.239 0.571 1.00 0.00 H new ATOM 0 HD3 PRO A 970 4.999 -13.805 -0.105 1.00 0.00 H new ATOM 760 N PRO A 971 7.682 -18.566 -0.335 1.00 0.00 N ATOM 761 CA PRO A 971 7.612 -19.881 0.299 1.00 0.00 C ATOM 762 C PRO A 971 7.474 -19.740 1.815 1.00 0.00 C ATOM 763 O PRO A 971 8.413 -19.330 2.505 1.00 0.00 O ATOM 764 CB PRO A 971 8.948 -20.545 -0.068 1.00 0.00 C ATOM 765 CG PRO A 971 9.476 -19.749 -1.215 1.00 0.00 C ATOM 766 CD PRO A 971 8.972 -18.352 -1.011 1.00 0.00 C ATOM 0 HA PRO A 971 6.752 -20.463 -0.033 1.00 0.00 H new ATOM 0 HB2 PRO A 971 9.640 -20.530 0.774 1.00 0.00 H new ATOM 0 HB3 PRO A 971 8.806 -21.590 -0.345 1.00 0.00 H new ATOM 0 HG2 PRO A 971 10.566 -19.772 -1.238 1.00 0.00 H new ATOM 0 HG3 PRO A 971 9.129 -20.155 -2.165 1.00 0.00 H new ATOM 0 HD2 PRO A 971 9.655 -17.761 -0.401 1.00 0.00 H new ATOM 0 HD3 PRO A 971 8.850 -17.824 -1.957 1.00 0.00 H new ATOM 774 N GLY A 972 6.298 -20.046 2.326 1.00 0.00 N ATOM 775 CA GLY A 972 6.042 -19.896 3.736 1.00 0.00 C ATOM 776 C GLY A 972 4.925 -18.912 4.004 1.00 0.00 C ATOM 777 O GLY A 972 4.608 -18.644 5.154 1.00 0.00 O ATOM 0 H GLY A 972 5.509 -20.399 1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 972 5.783 -20.865 4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 972 6.950 -19.560 4.236 1.00 0.00 H new ATOM 781 N TRP A 973 4.331 -18.369 2.946 1.00 0.00 N ATOM 782 CA TRP A 973 3.218 -17.445 3.094 1.00 0.00 C ATOM 783 C TRP A 973 2.130 -17.735 2.085 1.00 0.00 C ATOM 784 O TRP A 973 2.380 -18.006 0.910 1.00 0.00 O ATOM 785 CB TRP A 973 3.646 -15.973 3.056 1.00 0.00 C ATOM 786 CG TRP A 973 4.344 -15.535 4.303 1.00 0.00 C ATOM 787 CD1 TRP A 973 5.684 -15.539 4.509 1.00 0.00 C ATOM 788 CD2 TRP A 973 3.747 -15.063 5.524 1.00 0.00 C ATOM 789 NE1 TRP A 973 5.970 -15.074 5.763 1.00 0.00 N ATOM 790 CE2 TRP A 973 4.801 -14.777 6.410 1.00 0.00 C ATOM 791 CE3 TRP A 973 2.432 -14.844 5.954 1.00 0.00 C ATOM 792 CZ2 TRP A 973 4.584 -14.285 7.696 1.00 0.00 C ATOM 793 CZ3 TRP A 973 2.218 -14.366 7.239 1.00 0.00 C ATOM 794 CH2 TRP A 973 3.291 -14.092 8.093 1.00 0.00 C ATOM 0 H TRP A 973 4.603 -18.554 1.980 1.00 0.00 H new ATOM 0 HA TRP A 973 2.810 -17.612 4.091 1.00 0.00 H new ATOM 0 HB2 TRP A 973 4.305 -15.814 2.202 1.00 0.00 H new ATOM 0 HB3 TRP A 973 2.766 -15.349 2.900 1.00 0.00 H new ATOM 0 HD1 TRP A 973 6.419 -15.863 3.787 1.00 0.00 H new ATOM 0 HE1 TRP A 973 6.906 -14.966 6.154 1.00 0.00 H new ATOM 0 HE3 TRP A 973 1.599 -15.044 5.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 973 5.410 -14.064 8.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 973 1.208 -14.203 7.585 1.00 0.00 H new ATOM 0 HH2 TRP A 973 3.093 -13.720 9.087 1.00 0.00 H new ATOM 805 N GLU A 974 0.933 -17.672 2.591 1.00 0.00 N ATOM 806 CA GLU A 974 -0.294 -18.001 1.913 1.00 0.00 C ATOM 807 C GLU A 974 -1.113 -16.727 1.884 1.00 0.00 C ATOM 808 O GLU A 974 -0.972 -15.904 2.770 1.00 0.00 O ATOM 809 CB GLU A 974 -0.970 -19.065 2.789 1.00 0.00 C ATOM 810 CG GLU A 974 -2.350 -19.534 2.403 1.00 0.00 C ATOM 811 CD GLU A 974 -2.366 -20.338 1.118 1.00 0.00 C ATOM 812 OE1 GLU A 974 -2.065 -21.551 1.163 1.00 0.00 O ATOM 813 OE2 GLU A 974 -2.673 -19.778 0.043 1.00 0.00 O ATOM 0 H GLU A 974 0.774 -17.370 3.552 1.00 0.00 H new ATOM 0 HA GLU A 974 -0.166 -18.375 0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 974 -0.317 -19.938 2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 974 -1.023 -18.675 3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 974 -2.760 -20.141 3.210 1.00 0.00 H new ATOM 0 HG3 GLU A 974 -3.004 -18.669 2.292 1.00 0.00 H new ATOM 820 N TRP A 975 -1.836 -16.460 0.842 1.00 0.00 N ATOM 821 CA TRP A 975 -2.749 -15.342 0.900 1.00 0.00 C ATOM 822 C TRP A 975 -4.054 -15.757 1.558 1.00 0.00 C ATOM 823 O TRP A 975 -4.436 -16.929 1.534 1.00 0.00 O ATOM 824 CB TRP A 975 -2.975 -14.740 -0.485 1.00 0.00 C ATOM 825 CG TRP A 975 -1.744 -14.132 -1.045 1.00 0.00 C ATOM 826 CD1 TRP A 975 -0.941 -14.647 -2.001 1.00 0.00 C ATOM 827 CD2 TRP A 975 -1.167 -12.884 -0.655 1.00 0.00 C ATOM 828 NE1 TRP A 975 0.099 -13.799 -2.239 1.00 0.00 N ATOM 829 CE2 TRP A 975 -0.006 -12.708 -1.420 1.00 0.00 C ATOM 830 CE3 TRP A 975 -1.522 -11.903 0.264 1.00 0.00 C ATOM 831 CZ2 TRP A 975 0.812 -11.588 -1.286 1.00 0.00 C ATOM 832 CZ3 TRP A 975 -0.715 -10.789 0.394 1.00 0.00 C ATOM 833 CH2 TRP A 975 0.442 -10.640 -0.376 1.00 0.00 C ATOM 0 H TRP A 975 -1.821 -16.977 -0.037 1.00 0.00 H new ATOM 0 HA TRP A 975 -2.301 -14.561 1.515 1.00 0.00 H new ATOM 0 HB2 TRP A 975 -3.334 -15.516 -1.161 1.00 0.00 H new ATOM 0 HB3 TRP A 975 -3.757 -13.983 -0.426 1.00 0.00 H new ATOM 0 HD1 TRP A 975 -1.099 -15.590 -2.502 1.00 0.00 H new ATOM 0 HE1 TRP A 975 0.841 -13.954 -2.922 1.00 0.00 H new ATOM 0 HE3 TRP A 975 -2.413 -12.010 0.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 975 1.706 -11.474 -1.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 975 -0.983 -10.020 1.103 1.00 0.00 H new ATOM 0 HH2 TRP A 975 1.054 -9.759 -0.249 1.00 0.00 H new ATOM 844 N GLU A 976 -4.728 -14.795 2.147 1.00 0.00 N ATOM 845 CA GLU A 976 -6.001 -15.061 2.786 1.00 0.00 C ATOM 846 C GLU A 976 -7.034 -14.171 2.118 1.00 0.00 C ATOM 847 O GLU A 976 -8.153 -14.586 1.802 1.00 0.00 O ATOM 848 CB GLU A 976 -5.994 -14.803 4.301 1.00 0.00 C ATOM 849 CG GLU A 976 -7.313 -15.230 4.936 1.00 0.00 C ATOM 850 CD GLU A 976 -7.395 -15.026 6.424 1.00 0.00 C ATOM 851 OE1 GLU A 976 -7.459 -13.875 6.888 1.00 0.00 O ATOM 852 OE2 GLU A 976 -7.449 -16.015 7.160 1.00 0.00 O ATOM 0 H GLU A 976 -4.419 -13.824 2.198 1.00 0.00 H new ATOM 0 HA GLU A 976 -6.230 -16.120 2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 976 -5.171 -15.349 4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 976 -5.821 -13.744 4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 976 -8.123 -14.676 4.463 1.00 0.00 H new ATOM 0 HG3 GLU A 976 -7.479 -16.285 4.719 1.00 0.00 H new ATOM 859 N ASP A 977 -6.622 -12.932 1.885 1.00 0.00 N ATOM 860 CA ASP A 977 -7.457 -11.952 1.229 1.00 0.00 C ATOM 861 C ASP A 977 -7.513 -12.186 -0.276 1.00 0.00 C ATOM 862 O ASP A 977 -6.588 -12.746 -0.856 1.00 0.00 O ATOM 863 CB ASP A 977 -6.958 -10.561 1.557 1.00 0.00 C ATOM 864 CG ASP A 977 -7.401 -10.109 2.919 1.00 0.00 C ATOM 865 OD1 ASP A 977 -6.817 -10.552 3.913 1.00 0.00 O ATOM 866 OD2 ASP A 977 -8.355 -9.316 3.010 1.00 0.00 O ATOM 0 H ASP A 977 -5.700 -12.585 2.148 1.00 0.00 H new ATOM 0 HA ASP A 977 -8.477 -12.054 1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -5.869 -10.546 1.507 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -7.322 -9.859 0.806 1.00 0.00 H new ATOM 871 N ASP A 978 -8.579 -11.710 -0.904 1.00 0.00 N ATOM 872 CA ASP A 978 -8.876 -12.012 -2.313 1.00 0.00 C ATOM 873 C ASP A 978 -8.013 -11.250 -3.334 1.00 0.00 C ATOM 874 O ASP A 978 -7.334 -11.883 -4.137 1.00 0.00 O ATOM 875 CB ASP A 978 -10.373 -11.807 -2.614 1.00 0.00 C ATOM 876 CG ASP A 978 -10.826 -10.366 -2.505 1.00 0.00 C ATOM 877 OD1 ASP A 978 -10.619 -9.740 -1.441 1.00 0.00 O ATOM 878 OD2 ASP A 978 -11.414 -9.844 -3.468 1.00 0.00 O ATOM 0 H ASP A 978 -9.267 -11.103 -0.459 1.00 0.00 H new ATOM 0 HA ASP A 978 -8.613 -13.062 -2.437 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -10.585 -12.170 -3.620 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -10.959 -12.416 -1.926 1.00 0.00 H new ATOM 883 N ALA A 979 -7.999 -9.922 -3.299 1.00 0.00 N ATOM 884 CA ALA A 979 -7.291 -9.123 -4.291 1.00 0.00 C ATOM 885 C ALA A 979 -6.987 -7.781 -3.666 1.00 0.00 C ATOM 886 O ALA A 979 -7.776 -7.319 -2.861 1.00 0.00 O ATOM 887 CB ALA A 979 -8.137 -8.947 -5.539 1.00 0.00 C ATOM 0 H ALA A 979 -8.476 -9.371 -2.585 1.00 0.00 H new ATOM 0 HA ALA A 979 -6.369 -9.622 -4.589 1.00 0.00 H new ATOM 0 HB1 ALA A 979 -7.591 -8.348 -6.267 1.00 0.00 H new ATOM 0 HB2 ALA A 979 -8.361 -9.924 -5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 979 -9.068 -8.443 -5.279 1.00 0.00 H new ATOM 893 N TRP A 980 -5.874 -7.174 -4.049 1.00 0.00 N ATOM 894 CA TRP A 980 -5.408 -5.952 -3.374 1.00 0.00 C ATOM 895 C TRP A 980 -6.449 -4.864 -3.534 1.00 0.00 C ATOM 896 O TRP A 980 -6.801 -4.466 -4.652 1.00 0.00 O ATOM 897 CB TRP A 980 -4.045 -5.442 -3.854 1.00 0.00 C ATOM 898 CG TRP A 980 -2.957 -6.478 -3.825 1.00 0.00 C ATOM 899 CD1 TRP A 980 -2.874 -7.604 -4.598 1.00 0.00 C ATOM 900 CD2 TRP A 980 -1.774 -6.469 -3.013 1.00 0.00 C ATOM 901 NE1 TRP A 980 -1.720 -8.282 -4.323 1.00 0.00 N ATOM 902 CE2 TRP A 980 -1.029 -7.612 -3.357 1.00 0.00 C ATOM 903 CE3 TRP A 980 -1.270 -5.610 -2.031 1.00 0.00 C ATOM 904 CZ2 TRP A 980 0.187 -7.918 -2.767 1.00 0.00 C ATOM 905 CZ3 TRP A 980 -0.060 -5.917 -1.436 1.00 0.00 C ATOM 906 CH2 TRP A 980 0.659 -7.061 -1.808 1.00 0.00 C ATOM 0 H TRP A 980 -5.277 -7.495 -4.812 1.00 0.00 H new ATOM 0 HA TRP A 980 -5.271 -6.216 -2.325 1.00 0.00 H new ATOM 0 HB2 TRP A 980 -4.148 -5.067 -4.872 1.00 0.00 H new ATOM 0 HB3 TRP A 980 -3.745 -4.598 -3.232 1.00 0.00 H new ATOM 0 HD1 TRP A 980 -3.614 -7.912 -5.321 1.00 0.00 H new ATOM 0 HE1 TRP A 980 -1.423 -9.150 -4.769 1.00 0.00 H new ATOM 0 HE3 TRP A 980 -1.816 -4.724 -1.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 980 0.742 -8.799 -3.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 980 0.337 -5.265 -0.672 1.00 0.00 H new ATOM 0 HH2 TRP A 980 1.604 -7.271 -1.329 1.00 0.00 H new ATOM 917 N SER A 981 -6.931 -4.399 -2.411 1.00 0.00 N ATOM 918 CA SER A 981 -7.999 -3.421 -2.359 1.00 0.00 C ATOM 919 C SER A 981 -7.395 -2.134 -1.830 1.00 0.00 C ATOM 920 O SER A 981 -6.199 -2.047 -1.756 1.00 0.00 O ATOM 921 CB SER A 981 -9.102 -3.938 -1.437 1.00 0.00 C ATOM 922 OG SER A 981 -9.581 -5.199 -1.878 1.00 0.00 O ATOM 0 H SER A 981 -6.593 -4.689 -1.493 1.00 0.00 H new ATOM 0 HA SER A 981 -8.441 -3.245 -3.340 1.00 0.00 H new ATOM 0 HB2 SER A 981 -8.720 -4.025 -0.420 1.00 0.00 H new ATOM 0 HB3 SER A 981 -9.923 -3.222 -1.409 1.00 0.00 H new ATOM 0 HG SER A 981 -8.824 -5.803 -2.027 1.00 0.00 H new ATOM 928 N TYR A 982 -8.175 -1.165 -1.436 1.00 0.00 N ATOM 929 CA TYR A 982 -7.583 0.072 -0.940 1.00 0.00 C ATOM 930 C TYR A 982 -7.780 0.243 0.554 1.00 0.00 C ATOM 931 O TYR A 982 -8.721 -0.303 1.134 1.00 0.00 O ATOM 932 CB TYR A 982 -8.027 1.284 -1.754 1.00 0.00 C ATOM 933 CG TYR A 982 -9.506 1.360 -2.015 1.00 0.00 C ATOM 934 CD1 TYR A 982 -10.041 0.710 -3.111 1.00 0.00 C ATOM 935 CD2 TYR A 982 -10.354 2.082 -1.195 1.00 0.00 C ATOM 936 CE1 TYR A 982 -11.388 0.775 -3.390 1.00 0.00 C ATOM 937 CE2 TYR A 982 -11.705 2.157 -1.468 1.00 0.00 C ATOM 938 CZ TYR A 982 -12.216 1.503 -2.566 1.00 0.00 C ATOM 939 OH TYR A 982 -13.558 1.583 -2.846 1.00 0.00 O ATOM 0 H TYR A 982 -9.195 -1.192 -1.443 1.00 0.00 H new ATOM 0 HA TYR A 982 -6.505 -0.005 -1.085 1.00 0.00 H new ATOM 0 HB2 TYR A 982 -7.718 2.189 -1.231 1.00 0.00 H new ATOM 0 HB3 TYR A 982 -7.503 1.274 -2.710 1.00 0.00 H new ATOM 0 HD1 TYR A 982 -9.391 0.141 -3.760 1.00 0.00 H new ATOM 0 HD2 TYR A 982 -9.955 2.593 -0.331 1.00 0.00 H new ATOM 0 HE1 TYR A 982 -11.792 0.259 -4.249 1.00 0.00 H new ATOM 0 HE2 TYR A 982 -12.358 2.726 -0.823 1.00 0.00 H new ATOM 0 HH TYR A 982 -14.002 2.133 -2.167 1.00 0.00 H new ATOM 949 N ASP A 983 -6.883 0.994 1.167 1.00 0.00 N ATOM 950 CA ASP A 983 -6.811 1.129 2.616 1.00 0.00 C ATOM 951 C ASP A 983 -7.462 2.414 3.092 1.00 0.00 C ATOM 952 O ASP A 983 -7.224 3.480 2.534 1.00 0.00 O ATOM 953 CB ASP A 983 -5.343 1.139 3.023 1.00 0.00 C ATOM 954 CG ASP A 983 -5.099 1.327 4.509 1.00 0.00 C ATOM 955 OD1 ASP A 983 -5.137 2.465 4.994 1.00 0.00 O ATOM 956 OD2 ASP A 983 -4.791 0.335 5.196 1.00 0.00 O ATOM 0 H ASP A 983 -6.175 1.534 0.670 1.00 0.00 H new ATOM 0 HA ASP A 983 -7.344 0.293 3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 983 -4.887 0.200 2.709 1.00 0.00 H new ATOM 0 HB3 ASP A 983 -4.835 1.937 2.481 1.00 0.00 H new ATOM 961 N ILE A 984 -8.307 2.282 4.094 1.00 0.00 N ATOM 962 CA ILE A 984 -8.917 3.413 4.775 1.00 0.00 C ATOM 963 C ILE A 984 -8.524 3.376 6.252 1.00 0.00 C ATOM 964 O ILE A 984 -9.216 3.896 7.129 1.00 0.00 O ATOM 965 CB ILE A 984 -10.456 3.390 4.631 1.00 0.00 C ATOM 966 CG1 ILE A 984 -11.025 2.042 5.104 1.00 0.00 C ATOM 967 CG2 ILE A 984 -10.852 3.683 3.184 1.00 0.00 C ATOM 968 CD1 ILE A 984 -12.536 1.979 5.121 1.00 0.00 C ATOM 0 H ILE A 984 -8.595 1.377 4.465 1.00 0.00 H new ATOM 0 HA ILE A 984 -8.557 4.335 4.318 1.00 0.00 H new ATOM 0 HB ILE A 984 -10.881 4.168 5.265 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -10.647 1.253 4.454 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -10.653 1.835 6.107 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -11.938 3.664 3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -10.481 4.667 2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -10.420 2.927 2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -12.855 0.996 5.466 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -12.924 2.744 5.794 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -12.919 2.152 4.115 1.00 0.00 H new ATOM 980 N ASN A 985 -7.362 2.803 6.507 1.00 0.00 N ATOM 981 CA ASN A 985 -6.856 2.595 7.860 1.00 0.00 C ATOM 982 C ASN A 985 -5.725 3.592 8.127 1.00 0.00 C ATOM 983 O ASN A 985 -4.893 3.438 9.019 1.00 0.00 O ATOM 984 CB ASN A 985 -6.388 1.134 8.005 1.00 0.00 C ATOM 985 CG ASN A 985 -6.061 0.717 9.432 1.00 0.00 C ATOM 986 OD1 ASN A 985 -4.920 0.806 9.884 1.00 0.00 O ATOM 987 ND2 ASN A 985 -7.065 0.275 10.161 1.00 0.00 N ATOM 0 H ASN A 985 -6.734 2.464 5.778 1.00 0.00 H new ATOM 0 HA ASN A 985 -7.637 2.768 8.600 1.00 0.00 H new ATOM 0 HB2 ASN A 985 -7.165 0.476 7.616 1.00 0.00 H new ATOM 0 HB3 ASN A 985 -5.504 0.985 7.384 1.00 0.00 H new ATOM 0 HD21 ASN A 985 -6.908 -0.005 11.129 1.00 0.00 H new ATOM 0 HD22 ASN A 985 -8.000 0.213 9.757 1.00 0.00 H new ATOM 994 N ARG A 986 -5.772 4.680 7.393 1.00 0.00 N ATOM 995 CA ARG A 986 -4.794 5.748 7.468 1.00 0.00 C ATOM 996 C ARG A 986 -5.568 7.050 7.373 1.00 0.00 C ATOM 997 O ARG A 986 -6.804 7.026 7.319 1.00 0.00 O ATOM 998 CB ARG A 986 -3.784 5.654 6.309 1.00 0.00 C ATOM 999 CG ARG A 986 -2.807 4.498 6.408 1.00 0.00 C ATOM 1000 CD ARG A 986 -2.038 4.260 5.110 1.00 0.00 C ATOM 1001 NE ARG A 986 -1.191 5.380 4.661 1.00 0.00 N ATOM 1002 CZ ARG A 986 0.146 5.317 4.578 1.00 0.00 C ATOM 1003 NH1 ARG A 986 0.822 4.455 5.335 1.00 0.00 N ATOM 1004 NH2 ARG A 986 0.812 6.173 3.809 1.00 0.00 N ATOM 0 H ARG A 986 -6.509 4.854 6.709 1.00 0.00 H new ATOM 0 HA ARG A 986 -4.227 5.683 8.397 1.00 0.00 H new ATOM 0 HB2 ARG A 986 -4.335 5.567 5.372 1.00 0.00 H new ATOM 0 HB3 ARG A 986 -3.219 6.585 6.261 1.00 0.00 H new ATOM 0 HG2 ARG A 986 -2.099 4.694 7.213 1.00 0.00 H new ATOM 0 HG3 ARG A 986 -3.350 3.591 6.675 1.00 0.00 H new ATOM 0 HD2 ARG A 986 -1.409 3.379 5.237 1.00 0.00 H new ATOM 0 HD3 ARG A 986 -2.754 4.029 4.321 1.00 0.00 H new ATOM 0 HE ARG A 986 -1.648 6.253 4.398 1.00 0.00 H new ATOM 0 HH11 ARG A 986 0.323 3.841 5.979 1.00 0.00 H new ATOM 0 HH12 ARG A 986 1.839 4.408 5.271 1.00 0.00 H new ATOM 0 HH21 ARG A 986 0.306 6.882 3.278 1.00 0.00 H new ATOM 0 HH22 ARG A 986 1.829 6.121 3.750 1.00 0.00 H new ATOM 1018 N ALA A 987 -4.881 8.166 7.371 1.00 0.00 N ATOM 1019 CA ALA A 987 -5.529 9.436 7.128 1.00 0.00 C ATOM 1020 C ALA A 987 -5.618 9.592 5.621 1.00 0.00 C ATOM 1021 O ALA A 987 -4.749 10.190 4.992 1.00 0.00 O ATOM 1022 CB ALA A 987 -4.758 10.586 7.766 1.00 0.00 C ATOM 0 H ALA A 987 -3.876 8.223 7.534 1.00 0.00 H new ATOM 0 HA ALA A 987 -6.521 9.459 7.579 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.273 11.525 7.564 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -4.697 10.430 8.843 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -3.752 10.626 7.348 1.00 0.00 H new ATOM 1028 N VAL A 988 -6.613 8.948 5.040 1.00 0.00 N ATOM 1029 CA VAL A 988 -6.723 8.836 3.593 1.00 0.00 C ATOM 1030 C VAL A 988 -8.142 9.085 3.099 1.00 0.00 C ATOM 1031 O VAL A 988 -9.105 9.002 3.870 1.00 0.00 O ATOM 1032 CB VAL A 988 -6.294 7.424 3.120 1.00 0.00 C ATOM 1033 CG1 VAL A 988 -4.819 7.174 3.372 1.00 0.00 C ATOM 1034 CG2 VAL A 988 -7.122 6.352 3.809 1.00 0.00 C ATOM 0 H VAL A 988 -7.366 8.489 5.553 1.00 0.00 H new ATOM 0 HA VAL A 988 -6.064 9.599 3.178 1.00 0.00 H new ATOM 0 HB VAL A 988 -6.469 7.376 2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 988 -4.555 6.174 3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 988 -4.227 7.912 2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 988 -4.613 7.256 4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 988 -6.805 5.368 3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 988 -6.980 6.420 4.888 1.00 0.00 H new ATOM 0 HG23 VAL A 988 -8.176 6.498 3.572 1.00 0.00 H new ATOM 1044 N ASP A 989 -8.229 9.486 1.835 1.00 0.00 N ATOM 1045 CA ASP A 989 -9.502 9.596 1.103 1.00 0.00 C ATOM 1046 C ASP A 989 -10.276 8.277 1.150 1.00 0.00 C ATOM 1047 O ASP A 989 -9.740 7.243 1.545 1.00 0.00 O ATOM 1048 CB ASP A 989 -9.185 9.936 -0.367 1.00 0.00 C ATOM 1049 CG ASP A 989 -10.388 10.139 -1.271 1.00 0.00 C ATOM 1050 OD1 ASP A 989 -10.867 9.154 -1.868 1.00 0.00 O ATOM 1051 OD2 ASP A 989 -10.869 11.284 -1.401 1.00 0.00 O ATOM 0 H ASP A 989 -7.415 9.748 1.278 1.00 0.00 H new ATOM 0 HA ASP A 989 -10.113 10.372 1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 989 -8.581 10.843 -0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 989 -8.573 9.135 -0.782 1.00 0.00 H new ATOM 1056 N GLU A 990 -11.521 8.321 0.700 1.00 0.00 N ATOM 1057 CA GLU A 990 -12.382 7.153 0.607 1.00 0.00 C ATOM 1058 C GLU A 990 -11.714 6.045 -0.149 1.00 0.00 C ATOM 1059 O GLU A 990 -11.928 4.866 0.127 1.00 0.00 O ATOM 1060 CB GLU A 990 -13.638 7.486 -0.158 1.00 0.00 C ATOM 1061 CG GLU A 990 -14.448 8.556 0.485 1.00 0.00 C ATOM 1062 CD GLU A 990 -15.726 8.802 -0.267 1.00 0.00 C ATOM 1063 OE1 GLU A 990 -15.663 9.219 -1.442 1.00 0.00 O ATOM 1064 OE2 GLU A 990 -16.812 8.502 0.274 1.00 0.00 O ATOM 0 H GLU A 990 -11.968 9.182 0.385 1.00 0.00 H new ATOM 0 HA GLU A 990 -12.603 6.846 1.629 1.00 0.00 H new ATOM 0 HB2 GLU A 990 -13.369 7.799 -1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 990 -14.246 6.587 -0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 990 -14.677 8.273 1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 990 -13.867 9.477 0.530 1.00 0.00 H new ATOM 1071 N LYS A 991 -10.931 6.435 -1.121 1.00 0.00 N ATOM 1072 CA LYS A 991 -10.296 5.473 -1.954 1.00 0.00 C ATOM 1073 C LYS A 991 -8.856 5.208 -1.524 1.00 0.00 C ATOM 1074 O LYS A 991 -8.139 4.472 -2.198 1.00 0.00 O ATOM 1075 CB LYS A 991 -10.344 5.953 -3.390 1.00 0.00 C ATOM 1076 CG LYS A 991 -11.743 6.305 -3.837 1.00 0.00 C ATOM 1077 CD LYS A 991 -11.737 6.964 -5.191 1.00 0.00 C ATOM 1078 CE LYS A 991 -13.103 7.513 -5.517 1.00 0.00 C ATOM 1079 NZ LYS A 991 -13.113 8.200 -6.834 1.00 0.00 N ATOM 0 H LYS A 991 -10.725 7.408 -1.347 1.00 0.00 H new ATOM 0 HA LYS A 991 -10.832 4.529 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 991 -9.701 6.826 -3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 991 -9.942 5.178 -4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 991 -12.353 5.403 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 991 -12.203 6.972 -3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 991 -11.002 7.769 -5.207 1.00 0.00 H new ATOM 0 HD3 LYS A 991 -11.437 6.243 -5.952 1.00 0.00 H new ATOM 0 HE2 LYS A 991 -13.831 6.701 -5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 991 -13.411 8.211 -4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 991 -14.067 8.566 -7.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 991 -12.436 8.989 -6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 991 -12.843 7.526 -7.579 1.00 0.00 H new ATOM 1093 N GLY A 992 -8.417 5.833 -0.438 1.00 0.00 N ATOM 1094 CA GLY A 992 -7.077 5.612 0.067 1.00 0.00 C ATOM 1095 C GLY A 992 -6.134 6.729 -0.327 1.00 0.00 C ATOM 1096 O GLY A 992 -5.027 6.822 0.184 1.00 0.00 O ATOM 0 H GLY A 992 -8.972 6.494 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 992 -7.108 5.529 1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 992 -6.697 4.664 -0.315 1.00 0.00 H new ATOM 1100 N TRP A 993 -6.557 7.513 -1.301 1.00 0.00 N ATOM 1101 CA TRP A 993 -5.762 8.625 -1.824 1.00 0.00 C ATOM 1102 C TRP A 993 -5.333 9.634 -0.743 1.00 0.00 C ATOM 1103 O TRP A 993 -6.162 10.286 -0.108 1.00 0.00 O ATOM 1104 CB TRP A 993 -6.514 9.353 -2.937 1.00 0.00 C ATOM 1105 CG TRP A 993 -6.791 8.526 -4.162 1.00 0.00 C ATOM 1106 CD1 TRP A 993 -8.017 8.203 -4.662 1.00 0.00 C ATOM 1107 CD2 TRP A 993 -5.829 7.916 -5.045 1.00 0.00 C ATOM 1108 NE1 TRP A 993 -7.878 7.445 -5.799 1.00 0.00 N ATOM 1109 CE2 TRP A 993 -6.551 7.262 -6.055 1.00 0.00 C ATOM 1110 CE3 TRP A 993 -4.432 7.864 -5.086 1.00 0.00 C ATOM 1111 CZ2 TRP A 993 -5.930 6.569 -7.089 1.00 0.00 C ATOM 1112 CZ3 TRP A 993 -3.816 7.168 -6.107 1.00 0.00 C ATOM 1113 CH2 TRP A 993 -4.565 6.529 -7.098 1.00 0.00 C ATOM 0 H TRP A 993 -7.462 7.402 -1.757 1.00 0.00 H new ATOM 0 HA TRP A 993 -4.851 8.177 -2.222 1.00 0.00 H new ATOM 0 HB2 TRP A 993 -7.462 9.714 -2.539 1.00 0.00 H new ATOM 0 HB3 TRP A 993 -5.937 10.230 -3.232 1.00 0.00 H new ATOM 0 HD1 TRP A 993 -8.960 8.500 -4.228 1.00 0.00 H new ATOM 0 HE1 TRP A 993 -8.645 7.078 -6.362 1.00 0.00 H new ATOM 0 HE3 TRP A 993 -3.843 8.361 -4.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 993 -6.508 6.079 -7.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 993 -2.738 7.117 -6.140 1.00 0.00 H new ATOM 0 HH2 TRP A 993 -4.055 5.994 -7.885 1.00 0.00 H new ATOM 1124 N GLU A 994 -4.035 9.744 -0.541 1.00 0.00 N ATOM 1125 CA GLU A 994 -3.466 10.702 0.392 1.00 0.00 C ATOM 1126 C GLU A 994 -2.956 11.931 -0.352 1.00 0.00 C ATOM 1127 O GLU A 994 -2.548 11.854 -1.538 1.00 0.00 O ATOM 1128 CB GLU A 994 -2.275 10.134 1.164 1.00 0.00 C ATOM 1129 CG GLU A 994 -2.346 8.651 1.441 1.00 0.00 C ATOM 1130 CD GLU A 994 -1.226 8.136 2.328 1.00 0.00 C ATOM 1131 OE1 GLU A 994 -0.116 7.847 1.834 1.00 0.00 O ATOM 1132 OE2 GLU A 994 -1.430 7.986 3.552 1.00 0.00 O ATOM 0 H GLU A 994 -3.341 9.170 -1.020 1.00 0.00 H new ATOM 0 HA GLU A 994 -4.268 10.952 1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 994 -1.364 10.341 0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 994 -2.190 10.663 2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 994 -3.303 8.425 1.912 1.00 0.00 H new ATOM 0 HG3 GLU A 994 -2.322 8.113 0.493 1.00 0.00 H new ATOM 1139 N TYR A 995 -2.923 13.001 0.436 1.00 0.00 N ATOM 1140 CA TYR A 995 -2.539 14.377 0.108 1.00 0.00 C ATOM 1141 C TYR A 995 -1.042 14.472 -0.163 1.00 0.00 C ATOM 1142 O TYR A 995 -0.266 14.389 0.754 1.00 0.00 O ATOM 1143 CB TYR A 995 -2.937 15.190 1.367 1.00 0.00 C ATOM 1144 CG TYR A 995 -2.618 16.678 1.454 1.00 0.00 C ATOM 1145 CD1 TYR A 995 -1.344 17.126 1.777 1.00 0.00 C ATOM 1146 CD2 TYR A 995 -3.612 17.633 1.276 1.00 0.00 C ATOM 1147 CE1 TYR A 995 -1.064 18.472 1.903 1.00 0.00 C ATOM 1148 CE2 TYR A 995 -3.340 18.985 1.401 1.00 0.00 C ATOM 1149 CZ TYR A 995 -2.063 19.399 1.713 1.00 0.00 C ATOM 1150 OH TYR A 995 -1.778 20.740 1.821 1.00 0.00 O ATOM 0 H TYR A 995 -3.190 12.922 1.417 1.00 0.00 H new ATOM 0 HA TYR A 995 -3.026 14.747 -0.794 1.00 0.00 H new ATOM 0 HB2 TYR A 995 -4.014 15.083 1.493 1.00 0.00 H new ATOM 0 HB3 TYR A 995 -2.466 14.708 2.224 1.00 0.00 H new ATOM 0 HD1 TYR A 995 -0.555 16.406 1.933 1.00 0.00 H new ATOM 0 HD2 TYR A 995 -4.616 17.315 1.036 1.00 0.00 H new ATOM 0 HE1 TYR A 995 -0.064 18.796 2.150 1.00 0.00 H new ATOM 0 HE2 TYR A 995 -4.125 19.712 1.255 1.00 0.00 H new ATOM 0 HH TYR A 995 -2.591 21.262 1.657 1.00 0.00 H new ATOM 1160 N GLY A 996 -0.636 14.551 -1.419 1.00 0.00 N ATOM 1161 CA GLY A 996 0.762 14.809 -1.698 1.00 0.00 C ATOM 1162 C GLY A 996 0.945 16.020 -2.570 1.00 0.00 C ATOM 1163 O GLY A 996 0.355 16.150 -3.650 1.00 0.00 O ATOM 0 H GLY A 996 -1.235 14.444 -2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 996 1.299 14.952 -0.760 1.00 0.00 H new ATOM 0 HA3 GLY A 996 1.201 13.940 -2.187 1.00 0.00 H new ATOM 1167 N ILE A 997 1.689 16.965 -2.082 1.00 0.00 N ATOM 1168 CA ILE A 997 1.941 18.178 -2.804 1.00 0.00 C ATOM 1169 C ILE A 997 3.424 18.492 -2.754 1.00 0.00 C ATOM 1170 O ILE A 997 4.075 18.250 -1.743 1.00 0.00 O ATOM 1171 CB ILE A 997 1.078 19.296 -2.177 1.00 0.00 C ATOM 1172 CG1 ILE A 997 1.537 20.689 -2.547 1.00 0.00 C ATOM 1173 CG2 ILE A 997 0.996 19.160 -0.669 1.00 0.00 C ATOM 1174 CD1 ILE A 997 0.677 21.750 -1.896 1.00 0.00 C ATOM 0 H ILE A 997 2.141 16.918 -1.169 1.00 0.00 H new ATOM 0 HA ILE A 997 1.669 18.084 -3.855 1.00 0.00 H new ATOM 0 HB ILE A 997 0.083 19.163 -2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 997 2.575 20.824 -2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 997 1.505 20.808 -3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 997 0.381 19.964 -0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 997 0.550 18.198 -0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 997 1.998 19.220 -0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 997 1.037 22.738 -2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -0.356 21.631 -2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 997 0.730 21.647 -0.812 1.00 0.00 H new ATOM 1186 N THR A 998 3.961 18.946 -3.856 1.00 0.00 N ATOM 1187 CA THR A 998 5.354 19.277 -3.940 1.00 0.00 C ATOM 1188 C THR A 998 5.475 20.652 -4.605 1.00 0.00 C ATOM 1189 O THR A 998 5.057 20.832 -5.747 1.00 0.00 O ATOM 1190 CB THR A 998 6.081 18.180 -4.744 1.00 0.00 C ATOM 1191 OG1 THR A 998 5.776 16.911 -4.136 1.00 0.00 O ATOM 1192 CG2 THR A 998 7.587 18.381 -4.729 1.00 0.00 C ATOM 0 H THR A 998 3.441 19.096 -4.721 1.00 0.00 H new ATOM 0 HA THR A 998 5.817 19.326 -2.954 1.00 0.00 H new ATOM 0 HB THR A 998 5.746 18.221 -5.781 1.00 0.00 H new ATOM 0 HG1 THR A 998 6.226 16.195 -4.631 1.00 0.00 H new ATOM 0 HG21 THR A 998 8.065 17.589 -5.305 1.00 0.00 H new ATOM 0 HG22 THR A 998 7.829 19.348 -5.170 1.00 0.00 H new ATOM 0 HG23 THR A 998 7.948 18.350 -3.701 1.00 0.00 H new ATOM 1200 N ILE A 999 6.000 21.624 -3.875 1.00 0.00 N ATOM 1201 CA ILE A 999 6.069 22.991 -4.382 1.00 0.00 C ATOM 1202 C ILE A 999 7.511 23.448 -4.593 1.00 0.00 C ATOM 1203 O ILE A 999 8.189 23.875 -3.656 1.00 0.00 O ATOM 1204 CB ILE A 999 5.276 23.994 -3.506 1.00 0.00 C ATOM 1205 CG1 ILE A 999 5.595 23.816 -2.011 1.00 0.00 C ATOM 1206 CG2 ILE A 999 3.784 23.842 -3.770 1.00 0.00 C ATOM 1207 CD1 ILE A 999 4.887 24.799 -1.105 1.00 0.00 C ATOM 0 H ILE A 999 6.382 21.497 -2.938 1.00 0.00 H new ATOM 0 HA ILE A 999 5.584 22.979 -5.358 1.00 0.00 H new ATOM 0 HB ILE A 999 5.581 25.004 -3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 999 5.325 22.803 -1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 999 6.671 23.915 -1.866 1.00 0.00 H new ATOM 0 HG21 ILE A 999 3.231 24.549 -3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 999 3.578 24.041 -4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 999 3.473 22.826 -3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 999 5.166 24.605 -0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 999 5.175 25.815 -1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 999 3.809 24.686 -1.217 1.00 0.00 H new ATOM 1219 N PRO A1000 7.990 23.350 -5.845 1.00 0.00 N ATOM 1220 CA PRO A1000 9.383 23.645 -6.209 1.00 0.00 C ATOM 1221 C PRO A1000 9.836 25.074 -5.879 1.00 0.00 C ATOM 1222 O PRO A1000 9.134 26.048 -6.177 1.00 0.00 O ATOM 1223 CB PRO A1000 9.431 23.402 -7.720 1.00 0.00 C ATOM 1224 CG PRO A1000 8.015 23.426 -8.178 1.00 0.00 C ATOM 1225 CD PRO A1000 7.196 22.944 -7.020 1.00 0.00 C ATOM 0 HA PRO A1000 10.065 23.018 -5.634 1.00 0.00 H new ATOM 0 HB2 PRO A1000 10.018 24.172 -8.222 1.00 0.00 H new ATOM 0 HB3 PRO A1000 9.900 22.445 -7.948 1.00 0.00 H new ATOM 0 HG2 PRO A1000 7.718 24.432 -8.473 1.00 0.00 H new ATOM 0 HG3 PRO A1000 7.876 22.784 -9.048 1.00 0.00 H new ATOM 0 HD2 PRO A1000 6.205 23.399 -7.012 1.00 0.00 H new ATOM 0 HD3 PRO A1000 7.051 21.864 -7.053 1.00 0.00 H new ATOM 1233 N PRO A1001 11.023 25.210 -5.256 1.00 0.00 N ATOM 1234 CA PRO A1001 11.850 24.074 -4.883 1.00 0.00 C ATOM 1235 C PRO A1001 11.366 23.414 -3.615 1.00 0.00 C ATOM 1236 O PRO A1001 10.890 24.064 -2.675 1.00 0.00 O ATOM 1237 CB PRO A1001 13.243 24.645 -4.669 1.00 0.00 C ATOM 1238 CG PRO A1001 13.124 26.107 -4.877 1.00 0.00 C ATOM 1239 CD PRO A1001 11.662 26.466 -4.884 1.00 0.00 C ATOM 0 HA PRO A1001 11.822 23.306 -5.656 1.00 0.00 H new ATOM 0 HB2 PRO A1001 13.606 24.422 -3.665 1.00 0.00 H new ATOM 0 HB3 PRO A1001 13.955 24.208 -5.369 1.00 0.00 H new ATOM 0 HG2 PRO A1001 13.644 26.647 -4.085 1.00 0.00 H new ATOM 0 HG3 PRO A1001 13.590 26.396 -5.819 1.00 0.00 H new ATOM 0 HD2 PRO A1001 11.327 26.817 -3.908 1.00 0.00 H new ATOM 0 HD3 PRO A1001 11.444 27.259 -5.600 1.00 0.00 H new ATOM 1247 N ASP A1002 11.539 22.133 -3.593 1.00 0.00 N ATOM 1248 CA ASP A1002 11.008 21.290 -2.536 1.00 0.00 C ATOM 1249 C ASP A1002 11.892 20.052 -2.435 1.00 0.00 C ATOM 1250 O ASP A1002 13.039 20.052 -2.885 1.00 0.00 O ATOM 1251 CB ASP A1002 9.551 20.908 -2.887 1.00 0.00 C ATOM 1252 CG ASP A1002 8.699 20.494 -1.690 1.00 0.00 C ATOM 1253 OD1 ASP A1002 8.897 19.391 -1.151 1.00 0.00 O ATOM 1254 OD2 ASP A1002 7.797 21.267 -1.292 1.00 0.00 O ATOM 0 H ASP A1002 12.056 21.623 -4.309 1.00 0.00 H new ATOM 0 HA ASP A1002 11.004 21.807 -1.576 1.00 0.00 H new ATOM 0 HB2 ASP A1002 9.075 21.756 -3.380 1.00 0.00 H new ATOM 0 HB3 ASP A1002 9.567 20.089 -3.606 1.00 0.00 H new ATOM 1259 N HIS A1003 11.357 19.021 -1.847 1.00 0.00 N ATOM 1260 CA HIS A1003 12.061 17.782 -1.655 1.00 0.00 C ATOM 1261 C HIS A1003 11.161 16.584 -1.944 1.00 0.00 C ATOM 1262 O HIS A1003 11.433 15.802 -2.861 1.00 0.00 O ATOM 1263 CB HIS A1003 12.723 17.724 -0.251 1.00 0.00 C ATOM 1264 CG HIS A1003 11.862 18.090 0.943 1.00 0.00 C ATOM 1265 ND1 HIS A1003 12.049 19.238 1.676 1.00 0.00 N ATOM 1266 CD2 HIS A1003 10.863 17.426 1.570 1.00 0.00 C ATOM 1267 CE1 HIS A1003 11.213 19.257 2.694 1.00 0.00 C ATOM 1268 NE2 HIS A1003 10.480 18.166 2.656 1.00 0.00 N ATOM 0 H HIS A1003 10.405 19.016 -1.481 1.00 0.00 H new ATOM 0 HA HIS A1003 12.875 17.733 -2.379 1.00 0.00 H new ATOM 0 HB2 HIS A1003 13.099 16.712 -0.098 1.00 0.00 H new ATOM 0 HB3 HIS A1003 13.588 18.388 -0.259 1.00 0.00 H new ATOM 0 HD2 HIS A1003 10.442 16.479 1.267 1.00 0.00 H new ATOM 0 HE1 HIS A1003 11.142 20.038 3.436 1.00 0.00 H new ATOM 0 HE2 HIS A1003 9.750 17.914 3.322 1.00 0.00 H new ATOM 1277 N LYS A1004 10.052 16.502 -1.235 1.00 0.00 N ATOM 1278 CA LYS A1004 9.113 15.392 -1.254 1.00 0.00 C ATOM 1279 C LYS A1004 7.891 15.974 -0.579 1.00 0.00 C ATOM 1280 O LYS A1004 8.068 16.948 0.163 1.00 0.00 O ATOM 1281 CB LYS A1004 9.615 14.172 -0.441 1.00 0.00 C ATOM 1282 CG LYS A1004 10.815 13.442 -1.033 1.00 0.00 C ATOM 1283 CD LYS A1004 11.247 12.271 -0.168 1.00 0.00 C ATOM 1284 CE LYS A1004 12.412 11.506 -0.791 1.00 0.00 C ATOM 1285 NZ LYS A1004 13.636 12.338 -0.942 1.00 0.00 N ATOM 0 H LYS A1004 9.765 17.244 -0.597 1.00 0.00 H new ATOM 0 HA LYS A1004 8.947 15.021 -2.265 1.00 0.00 H new ATOM 0 HB2 LYS A1004 9.874 14.508 0.563 1.00 0.00 H new ATOM 0 HB3 LYS A1004 8.794 13.463 -0.338 1.00 0.00 H new ATOM 0 HG2 LYS A1004 10.566 13.083 -2.032 1.00 0.00 H new ATOM 0 HG3 LYS A1004 11.646 14.139 -1.143 1.00 0.00 H new ATOM 0 HD2 LYS A1004 11.537 12.635 0.818 1.00 0.00 H new ATOM 0 HD3 LYS A1004 10.404 11.595 -0.024 1.00 0.00 H new ATOM 0 HE2 LYS A1004 12.642 10.638 -0.173 1.00 0.00 H new ATOM 0 HE3 LYS A1004 12.112 11.130 -1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A1004 14.430 11.737 -1.241 1.00 0.00 H new ATOM 0 HZ2 LYS A1004 13.470 13.074 -1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A1004 13.865 12.786 -0.032 1.00 0.00 H new ATOM 1299 N PRO A1005 6.663 15.485 -0.800 1.00 0.00 N ATOM 1300 CA PRO A1005 5.524 16.000 -0.052 1.00 0.00 C ATOM 1301 C PRO A1005 5.745 15.755 1.424 1.00 0.00 C ATOM 1302 O PRO A1005 5.950 14.620 1.864 1.00 0.00 O ATOM 1303 CB PRO A1005 4.349 15.171 -0.565 1.00 0.00 C ATOM 1304 CG PRO A1005 4.794 14.697 -1.899 1.00 0.00 C ATOM 1305 CD PRO A1005 6.273 14.470 -1.773 1.00 0.00 C ATOM 0 HA PRO A1005 5.364 17.071 -0.180 1.00 0.00 H new ATOM 0 HB2 PRO A1005 4.129 14.337 0.101 1.00 0.00 H new ATOM 0 HB3 PRO A1005 3.441 15.769 -0.637 1.00 0.00 H new ATOM 0 HG2 PRO A1005 4.279 13.779 -2.181 1.00 0.00 H new ATOM 0 HG3 PRO A1005 4.575 15.435 -2.671 1.00 0.00 H new ATOM 0 HD2 PRO A1005 6.501 13.463 -1.424 1.00 0.00 H new ATOM 0 HD3 PRO A1005 6.787 14.601 -2.725 1.00 0.00 H new ATOM 1313 N LYS A1006 5.730 16.828 2.175 1.00 0.00 N ATOM 1314 CA LYS A1006 6.004 16.792 3.606 1.00 0.00 C ATOM 1315 C LYS A1006 4.781 16.431 4.423 1.00 0.00 C ATOM 1316 O LYS A1006 4.874 16.253 5.639 1.00 0.00 O ATOM 1317 CB LYS A1006 6.487 18.180 4.013 1.00 0.00 C ATOM 1318 CG LYS A1006 5.450 19.252 3.726 1.00 0.00 C ATOM 1319 CD LYS A1006 6.016 20.651 3.809 1.00 0.00 C ATOM 1320 CE LYS A1006 4.948 21.664 3.452 1.00 0.00 C ATOM 1321 NZ LYS A1006 5.509 23.014 3.238 1.00 0.00 N ATOM 0 H LYS A1006 5.527 17.761 1.817 1.00 0.00 H new ATOM 0 HA LYS A1006 6.753 16.024 3.800 1.00 0.00 H new ATOM 0 HB2 LYS A1006 6.726 18.183 5.076 1.00 0.00 H new ATOM 0 HB3 LYS A1006 7.408 18.414 3.479 1.00 0.00 H new ATOM 0 HG2 LYS A1006 5.034 19.092 2.731 1.00 0.00 H new ATOM 0 HG3 LYS A1006 4.628 19.155 4.435 1.00 0.00 H new ATOM 0 HD2 LYS A1006 6.388 20.842 4.815 1.00 0.00 H new ATOM 0 HD3 LYS A1006 6.864 20.750 3.131 1.00 0.00 H new ATOM 0 HE2 LYS A1006 4.430 21.340 2.549 1.00 0.00 H new ATOM 0 HE3 LYS A1006 4.206 21.703 4.249 1.00 0.00 H new ATOM 0 HZ1 LYS A1006 4.743 23.674 2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A1006 5.981 23.335 4.107 1.00 0.00 H new ATOM 0 HZ3 LYS A1006 6.199 22.984 2.460 1.00 0.00 H new ATOM 1335 N SER A1007 3.647 16.356 3.775 1.00 0.00 N ATOM 1336 CA SER A1007 2.421 16.137 4.480 1.00 0.00 C ATOM 1337 C SER A1007 1.517 15.262 3.650 1.00 0.00 C ATOM 1338 O SER A1007 1.416 15.468 2.450 1.00 0.00 O ATOM 1339 CB SER A1007 1.755 17.487 4.751 1.00 0.00 C ATOM 1340 OG SER A1007 0.686 17.379 5.689 1.00 0.00 O ATOM 0 H SER A1007 3.552 16.444 2.763 1.00 0.00 H new ATOM 0 HA SER A1007 2.617 15.638 5.429 1.00 0.00 H new ATOM 0 HB2 SER A1007 2.499 18.188 5.129 1.00 0.00 H new ATOM 0 HB3 SER A1007 1.376 17.898 3.815 1.00 0.00 H new ATOM 0 HG SER A1007 0.289 18.263 5.836 1.00 0.00 H new ATOM 1346 N TRP A1008 0.920 14.287 4.313 1.00 0.00 N ATOM 1347 CA TRP A1008 -0.064 13.379 3.742 1.00 0.00 C ATOM 1348 C TRP A1008 -1.195 13.294 4.739 1.00 0.00 C ATOM 1349 O TRP A1008 -0.954 13.137 5.936 1.00 0.00 O ATOM 1350 CB TRP A1008 0.506 11.977 3.508 1.00 0.00 C ATOM 1351 CG TRP A1008 1.754 11.973 2.717 1.00 0.00 C ATOM 1352 CD1 TRP A1008 2.987 12.259 3.180 1.00 0.00 C ATOM 1353 CD2 TRP A1008 1.897 11.657 1.326 1.00 0.00 C ATOM 1354 NE1 TRP A1008 3.886 12.188 2.175 1.00 0.00 N ATOM 1355 CE2 TRP A1008 3.256 11.804 1.019 1.00 0.00 C ATOM 1356 CE3 TRP A1008 1.012 11.274 0.314 1.00 0.00 C ATOM 1357 CZ2 TRP A1008 3.759 11.579 -0.261 1.00 0.00 C ATOM 1358 CZ3 TRP A1008 1.510 11.049 -0.955 1.00 0.00 C ATOM 1359 CH2 TRP A1008 2.873 11.202 -1.232 1.00 0.00 C ATOM 0 H TRP A1008 1.112 14.098 5.297 1.00 0.00 H new ATOM 0 HA TRP A1008 -0.387 13.755 2.771 1.00 0.00 H new ATOM 0 HB2 TRP A1008 0.695 11.504 4.472 1.00 0.00 H new ATOM 0 HB3 TRP A1008 -0.241 11.370 2.996 1.00 0.00 H new ATOM 0 HD1 TRP A1008 3.222 12.508 4.204 1.00 0.00 H new ATOM 0 HE1 TRP A1008 4.882 12.389 2.262 1.00 0.00 H new ATOM 0 HE3 TRP A1008 -0.042 11.156 0.520 1.00 0.00 H new ATOM 0 HZ2 TRP A1008 4.810 11.698 -0.478 1.00 0.00 H new ATOM 0 HZ3 TRP A1008 0.837 10.750 -1.745 1.00 0.00 H new ATOM 0 HH2 TRP A1008 3.233 11.019 -2.234 1.00 0.00 H new ATOM 1370 N VAL A1009 -2.403 13.369 4.237 1.00 0.00 N ATOM 1371 CA VAL A1009 -3.627 13.419 5.021 1.00 0.00 C ATOM 1372 C VAL A1009 -4.756 13.073 4.083 1.00 0.00 C ATOM 1373 O VAL A1009 -4.505 12.748 2.918 1.00 0.00 O ATOM 1374 CB VAL A1009 -3.941 14.808 5.677 1.00 0.00 C ATOM 1375 CG1 VAL A1009 -3.135 15.048 6.945 1.00 0.00 C ATOM 1376 CG2 VAL A1009 -3.712 15.955 4.708 1.00 0.00 C ATOM 0 H VAL A1009 -2.574 13.398 3.232 1.00 0.00 H new ATOM 0 HA VAL A1009 -3.507 12.723 5.851 1.00 0.00 H new ATOM 0 HB VAL A1009 -4.997 14.776 5.944 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -3.390 16.023 7.359 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -3.366 14.272 7.675 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -2.071 15.021 6.710 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -3.941 16.899 5.202 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -2.671 15.957 4.386 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -4.360 15.833 3.840 1.00 0.00 H new ATOM 1386 N ALA A1010 -5.971 13.175 4.552 1.00 0.00 N ATOM 1387 CA ALA A1010 -7.101 12.899 3.714 1.00 0.00 C ATOM 1388 C ALA A1010 -7.611 14.226 3.191 1.00 0.00 C ATOM 1389 O ALA A1010 -8.227 14.990 3.934 1.00 0.00 O ATOM 1390 CB ALA A1010 -8.195 12.177 4.481 1.00 0.00 C ATOM 0 H ALA A1010 -6.201 13.447 5.508 1.00 0.00 H new ATOM 0 HA ALA A1010 -6.805 12.245 2.894 1.00 0.00 H new ATOM 0 HB1 ALA A1010 -9.037 11.983 3.817 1.00 0.00 H new ATOM 0 HB2 ALA A1010 -7.809 11.232 4.863 1.00 0.00 H new ATOM 0 HB3 ALA A1010 -8.525 12.797 5.314 1.00 0.00 H new ATOM 1396 N ALA A1011 -7.326 14.494 1.933 1.00 0.00 N ATOM 1397 CA ALA A1011 -7.656 15.755 1.285 1.00 0.00 C ATOM 1398 C ALA A1011 -7.215 15.681 -0.164 1.00 0.00 C ATOM 1399 O ALA A1011 -6.676 14.652 -0.584 1.00 0.00 O ATOM 1400 CB ALA A1011 -6.961 16.926 1.972 1.00 0.00 C ATOM 0 H ALA A1011 -6.851 13.833 1.319 1.00 0.00 H new ATOM 0 HA ALA A1011 -8.732 15.918 1.351 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -7.226 17.854 1.466 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -7.278 16.977 3.014 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -5.881 16.785 1.928 1.00 0.00 H new ATOM 1406 N GLU A1012 -7.384 16.776 -0.894 1.00 0.00 N ATOM 1407 CA GLU A1012 -7.005 16.854 -2.294 1.00 0.00 C ATOM 1408 C GLU A1012 -7.221 18.288 -2.755 1.00 0.00 C ATOM 1409 O GLU A1012 -8.326 18.811 -2.700 1.00 0.00 O ATOM 1410 CB GLU A1012 -7.772 15.839 -3.158 1.00 0.00 C ATOM 1411 CG GLU A1012 -6.874 15.137 -4.176 1.00 0.00 C ATOM 1412 CD GLU A1012 -6.414 16.024 -5.293 1.00 0.00 C ATOM 1413 OE1 GLU A1012 -5.416 16.744 -5.110 1.00 0.00 O ATOM 1414 OE2 GLU A1012 -7.003 15.972 -6.379 1.00 0.00 O ATOM 0 H GLU A1012 -7.790 17.637 -0.528 1.00 0.00 H new ATOM 0 HA GLU A1012 -5.954 16.588 -2.409 1.00 0.00 H new ATOM 0 HB2 GLU A1012 -8.234 15.093 -2.512 1.00 0.00 H new ATOM 0 HB3 GLU A1012 -8.579 16.350 -3.683 1.00 0.00 H new ATOM 0 HG2 GLU A1012 -6.001 14.736 -3.661 1.00 0.00 H new ATOM 0 HG3 GLU A1012 -7.413 14.288 -4.597 1.00 0.00 H new ATOM 1421 N LYS A1013 -6.135 18.916 -3.157 1.00 0.00 N ATOM 1422 CA LYS A1013 -6.095 20.325 -3.491 1.00 0.00 C ATOM 1423 C LYS A1013 -5.388 20.534 -4.806 1.00 0.00 C ATOM 1424 O LYS A1013 -4.517 19.755 -5.160 1.00 0.00 O ATOM 1425 CB LYS A1013 -5.359 21.095 -2.401 1.00 0.00 C ATOM 1426 CG LYS A1013 -6.221 21.442 -1.214 1.00 0.00 C ATOM 1427 CD LYS A1013 -5.407 22.072 -0.102 1.00 0.00 C ATOM 1428 CE LYS A1013 -6.304 22.723 0.939 1.00 0.00 C ATOM 1429 NZ LYS A1013 -7.168 21.736 1.649 1.00 0.00 N ATOM 0 H LYS A1013 -5.234 18.450 -3.263 1.00 0.00 H new ATOM 0 HA LYS A1013 -7.119 20.689 -3.572 1.00 0.00 H new ATOM 0 HB2 LYS A1013 -4.510 20.502 -2.061 1.00 0.00 H new ATOM 0 HB3 LYS A1013 -4.956 22.014 -2.827 1.00 0.00 H new ATOM 0 HG2 LYS A1013 -7.009 22.129 -1.524 1.00 0.00 H new ATOM 0 HG3 LYS A1013 -6.711 20.542 -0.843 1.00 0.00 H new ATOM 0 HD2 LYS A1013 -4.787 21.312 0.373 1.00 0.00 H new ATOM 0 HD3 LYS A1013 -4.732 22.818 -0.521 1.00 0.00 H new ATOM 0 HE2 LYS A1013 -5.687 23.250 1.667 1.00 0.00 H new ATOM 0 HE3 LYS A1013 -6.934 23.470 0.455 1.00 0.00 H new ATOM 0 HZ1 LYS A1013 -7.735 22.226 2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A1013 -7.802 21.275 0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A1013 -6.571 21.018 2.107 1.00 0.00 H new ATOM 1443 N MET A1014 -5.741 21.612 -5.471 1.00 0.00 N ATOM 1444 CA MET A1014 -5.216 21.982 -6.782 1.00 0.00 C ATOM 1445 C MET A1014 -3.706 22.018 -6.835 1.00 0.00 C ATOM 1446 O MET A1014 -3.117 21.526 -7.802 1.00 0.00 O ATOM 1447 CB MET A1014 -5.754 23.338 -7.165 1.00 0.00 C ATOM 1448 CG MET A1014 -5.222 23.887 -8.479 1.00 0.00 C ATOM 1449 SD MET A1014 -5.768 25.577 -8.796 1.00 0.00 S ATOM 1450 CE MET A1014 -4.934 25.900 -10.347 1.00 0.00 C ATOM 0 H MET A1014 -6.422 22.280 -5.110 1.00 0.00 H new ATOM 0 HA MET A1014 -5.541 21.212 -7.482 1.00 0.00 H new ATOM 0 HB2 MET A1014 -6.841 23.278 -7.226 1.00 0.00 H new ATOM 0 HB3 MET A1014 -5.518 24.045 -6.370 1.00 0.00 H new ATOM 0 HG2 MET A1014 -4.132 23.857 -8.466 1.00 0.00 H new ATOM 0 HG3 MET A1014 -5.549 23.244 -9.296 1.00 0.00 H new ATOM 0 HE1 MET A1014 -5.168 26.910 -10.683 1.00 0.00 H new ATOM 0 HE2 MET A1014 -3.857 25.805 -10.208 1.00 0.00 H new ATOM 0 HE3 MET A1014 -5.268 25.182 -11.096 1.00 0.00 H new ATOM 1460 N TYR A1015 -3.062 22.596 -5.824 1.00 0.00 N ATOM 1461 CA TYR A1015 -1.605 22.661 -5.793 1.00 0.00 C ATOM 1462 C TYR A1015 -0.956 21.297 -5.602 1.00 0.00 C ATOM 1463 O TYR A1015 0.250 21.222 -5.374 1.00 0.00 O ATOM 1464 CB TYR A1015 -1.106 23.575 -4.673 1.00 0.00 C ATOM 1465 CG TYR A1015 -1.546 25.015 -4.758 1.00 0.00 C ATOM 1466 CD1 TYR A1015 -1.195 25.811 -5.837 1.00 0.00 C ATOM 1467 CD2 TYR A1015 -2.279 25.585 -3.727 1.00 0.00 C ATOM 1468 CE1 TYR A1015 -1.569 27.137 -5.888 1.00 0.00 C ATOM 1469 CE2 TYR A1015 -2.665 26.908 -3.771 1.00 0.00 C ATOM 1470 CZ TYR A1015 -2.304 27.681 -4.857 1.00 0.00 C ATOM 1471 OH TYR A1015 -2.663 29.014 -4.912 1.00 0.00 O ATOM 0 H TYR A1015 -3.523 23.023 -5.021 1.00 0.00 H new ATOM 0 HA TYR A1015 -1.319 23.060 -6.766 1.00 0.00 H new ATOM 0 HB2 TYR A1015 -1.442 23.167 -3.720 1.00 0.00 H new ATOM 0 HB3 TYR A1015 -0.016 23.547 -4.665 1.00 0.00 H new ATOM 0 HD1 TYR A1015 -0.621 25.387 -6.648 1.00 0.00 H new ATOM 0 HD2 TYR A1015 -2.552 24.981 -2.874 1.00 0.00 H new ATOM 0 HE1 TYR A1015 -1.287 27.747 -6.733 1.00 0.00 H new ATOM 0 HE2 TYR A1015 -3.243 27.335 -2.965 1.00 0.00 H new ATOM 0 HH TYR A1015 -3.179 29.247 -4.112 1.00 0.00 H new ATOM 1481 N HIS A1016 -1.716 20.217 -5.681 1.00 0.00 N ATOM 1482 CA HIS A1016 -1.129 18.898 -5.522 1.00 0.00 C ATOM 1483 C HIS A1016 -0.242 18.521 -6.690 1.00 0.00 C ATOM 1484 O HIS A1016 -0.157 19.223 -7.693 1.00 0.00 O ATOM 1485 CB HIS A1016 -2.192 17.835 -5.247 1.00 0.00 C ATOM 1486 CG HIS A1016 -2.552 17.782 -3.812 1.00 0.00 C ATOM 1487 ND1 HIS A1016 -3.642 17.114 -3.334 1.00 0.00 N ATOM 1488 CD2 HIS A1016 -1.929 18.293 -2.739 1.00 0.00 C ATOM 1489 CE1 HIS A1016 -3.674 17.210 -2.026 1.00 0.00 C ATOM 1490 NE2 HIS A1016 -2.643 17.923 -1.642 1.00 0.00 N ATOM 0 H HIS A1016 -2.722 20.226 -5.851 1.00 0.00 H new ATOM 0 HA HIS A1016 -0.485 18.944 -4.644 1.00 0.00 H new ATOM 0 HB2 HIS A1016 -3.082 18.049 -5.838 1.00 0.00 H new ATOM 0 HB3 HIS A1016 -1.824 16.860 -5.566 1.00 0.00 H new ATOM 0 HD1 HIS A1016 -4.326 16.617 -3.905 1.00 0.00 H new ATOM 0 HD2 HIS A1016 -1.028 18.888 -2.745 1.00 0.00 H new ATOM 0 HE1 HIS A1016 -4.421 16.776 -1.377 1.00 0.00 H new ATOM 1499 N THR A1017 0.388 17.380 -6.566 1.00 0.00 N ATOM 1500 CA THR A1017 1.438 17.004 -7.489 1.00 0.00 C ATOM 1501 C THR A1017 1.550 15.487 -7.496 1.00 0.00 C ATOM 1502 O THR A1017 1.647 14.851 -8.534 1.00 0.00 O ATOM 1503 CB THR A1017 2.800 17.573 -7.030 1.00 0.00 C ATOM 1504 OG1 THR A1017 2.625 18.838 -6.368 1.00 0.00 O ATOM 1505 CG2 THR A1017 3.736 17.758 -8.214 1.00 0.00 C ATOM 0 H THR A1017 0.195 16.693 -5.837 1.00 0.00 H new ATOM 0 HA THR A1017 1.194 17.396 -8.476 1.00 0.00 H new ATOM 0 HB THR A1017 3.238 16.857 -6.334 1.00 0.00 H new ATOM 0 HG1 THR A1017 3.334 19.454 -6.647 1.00 0.00 H new ATOM 0 HG21 THR A1017 4.688 18.159 -7.866 1.00 0.00 H new ATOM 0 HG22 THR A1017 3.903 16.796 -8.699 1.00 0.00 H new ATOM 0 HG23 THR A1017 3.289 18.451 -8.927 1.00 0.00 H new ATOM 1513 N HIS A1018 1.468 14.919 -6.305 1.00 0.00 N ATOM 1514 CA HIS A1018 1.660 13.487 -6.076 1.00 0.00 C ATOM 1515 C HIS A1018 0.532 12.957 -5.210 1.00 0.00 C ATOM 1516 O HIS A1018 0.012 13.666 -4.373 1.00 0.00 O ATOM 1517 CB HIS A1018 3.022 13.214 -5.398 1.00 0.00 C ATOM 1518 CG HIS A1018 4.193 13.174 -6.338 1.00 0.00 C ATOM 1519 ND1 HIS A1018 5.401 12.597 -6.021 1.00 0.00 N ATOM 1520 CD2 HIS A1018 4.323 13.617 -7.606 1.00 0.00 C ATOM 1521 CE1 HIS A1018 6.209 12.684 -7.058 1.00 0.00 C ATOM 1522 NE2 HIS A1018 5.577 13.297 -8.032 1.00 0.00 N ATOM 0 H HIS A1018 1.263 15.443 -5.454 1.00 0.00 H new ATOM 0 HA HIS A1018 1.653 12.976 -7.039 1.00 0.00 H new ATOM 0 HB2 HIS A1018 3.201 13.985 -4.649 1.00 0.00 H new ATOM 0 HB3 HIS A1018 2.965 12.263 -4.869 1.00 0.00 H new ATOM 0 HD2 HIS A1018 3.568 14.133 -8.180 1.00 0.00 H new ATOM 0 HE1 HIS A1018 7.222 12.313 -7.100 1.00 0.00 H new ATOM 0 HE2 HIS A1018 5.961 13.500 -8.955 1.00 0.00 H new ATOM 1531 N ARG A1019 0.097 11.754 -5.447 1.00 0.00 N ATOM 1532 CA ARG A1019 -0.972 11.189 -4.650 1.00 0.00 C ATOM 1533 C ARG A1019 -0.809 9.711 -4.636 1.00 0.00 C ATOM 1534 O ARG A1019 -0.360 9.150 -5.638 1.00 0.00 O ATOM 1535 CB ARG A1019 -2.326 11.537 -5.246 1.00 0.00 C ATOM 1536 CG ARG A1019 -3.494 11.008 -4.452 1.00 0.00 C ATOM 1537 CD ARG A1019 -4.783 11.549 -4.993 1.00 0.00 C ATOM 1538 NE ARG A1019 -5.188 10.990 -6.288 1.00 0.00 N ATOM 1539 CZ ARG A1019 -6.416 11.132 -6.808 1.00 0.00 C ATOM 1540 NH1 ARG A1019 -7.306 11.920 -6.208 1.00 0.00 N ATOM 1541 NH2 ARG A1019 -6.740 10.522 -7.940 1.00 0.00 N ATOM 0 H ARG A1019 0.458 11.142 -6.179 1.00 0.00 H new ATOM 0 HA ARG A1019 -0.925 11.595 -3.639 1.00 0.00 H new ATOM 0 HB2 ARG A1019 -2.411 12.621 -5.322 1.00 0.00 H new ATOM 0 HB3 ARG A1019 -2.379 11.141 -6.260 1.00 0.00 H new ATOM 0 HG2 ARG A1019 -3.505 9.919 -4.491 1.00 0.00 H new ATOM 0 HG3 ARG A1019 -3.386 11.288 -3.404 1.00 0.00 H new ATOM 0 HD2 ARG A1019 -5.574 11.359 -4.267 1.00 0.00 H new ATOM 0 HD3 ARG A1019 -4.694 12.631 -5.092 1.00 0.00 H new ATOM 0 HE ARG A1019 -4.497 10.464 -6.823 1.00 0.00 H new ATOM 0 HH11 ARG A1019 -7.054 12.416 -5.353 1.00 0.00 H new ATOM 0 HH12 ARG A1019 -8.240 12.028 -6.603 1.00 0.00 H new ATOM 0 HH21 ARG A1019 -6.053 9.941 -8.421 1.00 0.00 H new ATOM 0 HH22 ARG A1019 -7.676 10.634 -8.330 1.00 0.00 H new ATOM 1555 N ARG A1020 -1.157 9.068 -3.540 1.00 0.00 N ATOM 1556 CA ARG A1020 -1.021 7.621 -3.537 1.00 0.00 C ATOM 1557 C ARG A1020 -1.937 7.006 -2.540 1.00 0.00 C ATOM 1558 O ARG A1020 -2.458 7.673 -1.692 1.00 0.00 O ATOM 1559 CB ARG A1020 0.415 7.161 -3.248 1.00 0.00 C ATOM 1560 CG ARG A1020 0.904 7.542 -1.860 1.00 0.00 C ATOM 1561 CD ARG A1020 2.251 6.927 -1.525 1.00 0.00 C ATOM 1562 NE ARG A1020 3.332 7.391 -2.395 1.00 0.00 N ATOM 1563 CZ ARG A1020 4.535 7.768 -1.957 1.00 0.00 C ATOM 1564 NH1 ARG A1020 4.762 7.872 -0.645 1.00 0.00 N ATOM 1565 NH2 ARG A1020 5.487 8.075 -2.838 1.00 0.00 N ATOM 0 H ARG A1020 -1.516 9.491 -2.684 1.00 0.00 H new ATOM 0 HA ARG A1020 -1.286 7.290 -4.541 1.00 0.00 H new ATOM 0 HB2 ARG A1020 0.471 6.078 -3.360 1.00 0.00 H new ATOM 0 HB3 ARG A1020 1.084 7.594 -3.992 1.00 0.00 H new ATOM 0 HG2 ARG A1020 0.977 8.627 -1.790 1.00 0.00 H new ATOM 0 HG3 ARG A1020 0.170 7.224 -1.120 1.00 0.00 H new ATOM 0 HD2 ARG A1020 2.502 7.160 -0.490 1.00 0.00 H new ATOM 0 HD3 ARG A1020 2.175 5.842 -1.598 1.00 0.00 H new ATOM 0 HE ARG A1020 3.155 7.429 -3.399 1.00 0.00 H new ATOM 0 HH11 ARG A1020 4.017 7.663 0.020 1.00 0.00 H new ATOM 0 HH12 ARG A1020 5.681 8.160 -0.308 1.00 0.00 H new ATOM 0 HH21 ARG A1020 5.293 8.021 -3.838 1.00 0.00 H new ATOM 0 HH22 ARG A1020 6.409 8.364 -2.512 1.00 0.00 H new ATOM 1579 N ARG A1021 -2.110 5.728 -2.658 1.00 0.00 N ATOM 1580 CA ARG A1021 -2.965 5.015 -1.758 1.00 0.00 C ATOM 1581 C ARG A1021 -2.401 3.658 -1.493 1.00 0.00 C ATOM 1582 O ARG A1021 -1.718 3.108 -2.343 1.00 0.00 O ATOM 1583 CB ARG A1021 -4.353 4.905 -2.344 1.00 0.00 C ATOM 1584 CG ARG A1021 -4.418 4.325 -3.744 1.00 0.00 C ATOM 1585 CD ARG A1021 -5.850 4.265 -4.170 1.00 0.00 C ATOM 1586 NE ARG A1021 -5.982 3.941 -5.569 1.00 0.00 N ATOM 1587 CZ ARG A1021 -7.132 3.537 -6.123 1.00 0.00 C ATOM 1588 NH1 ARG A1021 -8.194 3.316 -5.356 1.00 0.00 N ATOM 1589 NH2 ARG A1021 -7.220 3.379 -7.437 1.00 0.00 N ATOM 0 H ARG A1021 -1.668 5.151 -3.374 1.00 0.00 H new ATOM 0 HA ARG A1021 -3.028 5.558 -0.815 1.00 0.00 H new ATOM 0 HB2 ARG A1021 -4.961 4.287 -1.683 1.00 0.00 H new ATOM 0 HB3 ARG A1021 -4.804 5.897 -2.358 1.00 0.00 H new ATOM 0 HG2 ARG A1021 -3.843 4.941 -4.436 1.00 0.00 H new ATOM 0 HG3 ARG A1021 -3.976 3.329 -3.762 1.00 0.00 H new ATOM 0 HD2 ARG A1021 -6.375 3.519 -3.574 1.00 0.00 H new ATOM 0 HD3 ARG A1021 -6.328 5.225 -3.973 1.00 0.00 H new ATOM 0 HE ARG A1021 -5.159 4.024 -6.166 1.00 0.00 H new ATOM 0 HH11 ARG A1021 -8.132 3.454 -4.347 1.00 0.00 H new ATOM 0 HH12 ARG A1021 -9.071 3.008 -5.776 1.00 0.00 H new ATOM 0 HH21 ARG A1021 -6.410 3.565 -8.028 1.00 0.00 H new ATOM 0 HH22 ARG A1021 -8.098 3.071 -7.856 1.00 0.00 H new ATOM 1603 N ARG A1022 -2.682 3.122 -0.335 1.00 0.00 N ATOM 1604 CA ARG A1022 -2.238 1.811 -0.008 1.00 0.00 C ATOM 1605 C ARG A1022 -3.218 0.805 -0.579 1.00 0.00 C ATOM 1606 O ARG A1022 -4.430 0.963 -0.420 1.00 0.00 O ATOM 1607 CB ARG A1022 -2.194 1.647 1.501 1.00 0.00 C ATOM 1608 CG ARG A1022 -1.937 0.223 1.936 1.00 0.00 C ATOM 1609 CD ARG A1022 -2.137 0.065 3.421 1.00 0.00 C ATOM 1610 NE ARG A1022 -1.139 0.765 4.182 1.00 0.00 N ATOM 1611 CZ ARG A1022 -1.183 0.941 5.504 1.00 0.00 C ATOM 1612 NH1 ARG A1022 -2.327 0.827 6.181 1.00 0.00 N ATOM 1613 NH2 ARG A1022 -0.076 1.278 6.136 1.00 0.00 N ATOM 0 H ARG A1022 -3.221 3.585 0.397 1.00 0.00 H new ATOM 0 HA ARG A1022 -1.243 1.650 -0.422 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -1.414 2.291 1.908 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -3.140 1.985 1.925 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -2.608 -0.450 1.402 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -0.919 -0.064 1.670 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -3.125 0.435 3.694 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -2.111 -0.994 3.678 1.00 0.00 H new ATOM 0 HE ARG A1022 -0.343 1.154 3.677 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -3.191 0.601 5.688 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -2.338 0.966 7.191 1.00 0.00 H new ATOM 0 HH21 ARG A1022 0.792 1.399 5.615 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -0.088 1.417 7.146 1.00 0.00 H new ATOM 1627 N LEU A1023 -2.714 -0.178 -1.288 1.00 0.00 N ATOM 1628 CA LEU A1023 -3.510 -1.297 -1.623 1.00 0.00 C ATOM 1629 C LEU A1023 -3.126 -2.337 -0.613 1.00 0.00 C ATOM 1630 O LEU A1023 -1.939 -2.601 -0.398 1.00 0.00 O ATOM 1631 CB LEU A1023 -3.304 -1.794 -3.053 1.00 0.00 C ATOM 1632 CG LEU A1023 -3.536 -0.755 -4.156 1.00 0.00 C ATOM 1633 CD1 LEU A1023 -3.342 -1.390 -5.517 1.00 0.00 C ATOM 1634 CD2 LEU A1023 -4.934 -0.153 -4.063 1.00 0.00 C ATOM 0 H LEU A1023 -1.756 -0.210 -1.636 1.00 0.00 H new ATOM 0 HA LEU A1023 -4.570 -1.045 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU A1023 -2.286 -2.172 -3.144 1.00 0.00 H new ATOM 0 HB3 LEU A1023 -3.974 -2.636 -3.226 1.00 0.00 H new ATOM 0 HG LEU A1023 -2.809 0.046 -4.021 1.00 0.00 H new ATOM 0 HD11 LEU A1023 -3.509 -0.644 -6.294 1.00 0.00 H new ATOM 0 HD12 LEU A1023 -2.326 -1.776 -5.597 1.00 0.00 H new ATOM 0 HD13 LEU A1023 -4.051 -2.208 -5.641 1.00 0.00 H new ATOM 0 HD21 LEU A1023 -5.068 0.580 -4.858 1.00 0.00 H new ATOM 0 HD22 LEU A1023 -5.678 -0.943 -4.168 1.00 0.00 H new ATOM 0 HD23 LEU A1023 -5.057 0.334 -3.096 1.00 0.00 H new ATOM 1646 N VAL A1024 -4.112 -2.886 0.025 1.00 0.00 N ATOM 1647 CA VAL A1024 -3.890 -3.771 1.136 1.00 0.00 C ATOM 1648 C VAL A1024 -4.120 -5.174 0.734 1.00 0.00 C ATOM 1649 O VAL A1024 -4.983 -5.445 -0.099 1.00 0.00 O ATOM 1650 CB VAL A1024 -4.810 -3.511 2.351 1.00 0.00 C ATOM 1651 CG1 VAL A1024 -4.276 -2.399 3.205 1.00 0.00 C ATOM 1652 CG2 VAL A1024 -6.238 -3.204 1.911 1.00 0.00 C ATOM 0 H VAL A1024 -5.094 -2.736 -0.206 1.00 0.00 H new ATOM 0 HA VAL A1024 -2.858 -3.582 1.431 1.00 0.00 H new ATOM 0 HB VAL A1024 -4.828 -4.424 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A1024 -4.943 -2.238 4.052 1.00 0.00 H new ATOM 0 HG12 VAL A1024 -3.284 -2.665 3.570 1.00 0.00 H new ATOM 0 HG13 VAL A1024 -4.212 -1.485 2.614 1.00 0.00 H new ATOM 0 HG21 VAL A1024 -6.859 -3.026 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A1024 -6.241 -2.316 1.279 1.00 0.00 H new ATOM 0 HG23 VAL A1024 -6.636 -4.050 1.351 1.00 0.00 H new ATOM 1662 N ARG A1025 -3.339 -6.041 1.308 1.00 0.00 N ATOM 1663 CA ARG A1025 -3.626 -7.452 1.204 1.00 0.00 C ATOM 1664 C ARG A1025 -3.013 -8.217 2.337 1.00 0.00 C ATOM 1665 O ARG A1025 -1.806 -8.312 2.451 1.00 0.00 O ATOM 1666 CB ARG A1025 -3.233 -8.059 -0.137 1.00 0.00 C ATOM 1667 CG ARG A1025 -4.102 -9.258 -0.455 1.00 0.00 C ATOM 1668 CD ARG A1025 -5.478 -8.849 -1.019 1.00 0.00 C ATOM 1669 NE ARG A1025 -6.157 -7.760 -0.285 1.00 0.00 N ATOM 1670 CZ ARG A1025 -7.466 -7.670 0.018 1.00 0.00 C ATOM 1671 NH1 ARG A1025 -8.313 -8.617 -0.347 1.00 0.00 N ATOM 1672 NH2 ARG A1025 -7.921 -6.618 0.680 1.00 0.00 N ATOM 0 H ARG A1025 -2.506 -5.806 1.848 1.00 0.00 H new ATOM 0 HA ARG A1025 -4.711 -7.538 1.269 1.00 0.00 H new ATOM 0 HB2 ARG A1025 -3.333 -7.312 -0.924 1.00 0.00 H new ATOM 0 HB3 ARG A1025 -2.185 -8.359 -0.114 1.00 0.00 H new ATOM 0 HG2 ARG A1025 -3.590 -9.894 -1.177 1.00 0.00 H new ATOM 0 HG3 ARG A1025 -4.244 -9.851 0.448 1.00 0.00 H new ATOM 0 HD2 ARG A1025 -5.351 -8.543 -2.057 1.00 0.00 H new ATOM 0 HD3 ARG A1025 -6.127 -9.725 -1.022 1.00 0.00 H new ATOM 0 HE ARG A1025 -5.567 -6.989 0.027 1.00 0.00 H new ATOM 0 HH11 ARG A1025 -7.978 -9.429 -0.865 1.00 0.00 H new ATOM 0 HH12 ARG A1025 -9.302 -8.536 -0.111 1.00 0.00 H new ATOM 0 HH21 ARG A1025 -7.280 -5.876 0.961 1.00 0.00 H new ATOM 0 HH22 ARG A1025 -8.912 -6.550 0.910 1.00 0.00 H new ATOM 1686 N LYS A1026 -3.864 -8.777 3.168 1.00 0.00 N ATOM 1687 CA LYS A1026 -3.405 -9.476 4.338 1.00 0.00 C ATOM 1688 C LYS A1026 -2.999 -10.888 3.914 1.00 0.00 C ATOM 1689 O LYS A1026 -3.619 -11.491 3.028 1.00 0.00 O ATOM 1690 CB LYS A1026 -4.522 -9.413 5.398 1.00 0.00 C ATOM 1691 CG LYS A1026 -4.125 -9.658 6.853 1.00 0.00 C ATOM 1692 CD LYS A1026 -3.779 -11.102 7.155 1.00 0.00 C ATOM 1693 CE LYS A1026 -4.934 -12.045 6.851 1.00 0.00 C ATOM 1694 NZ LYS A1026 -6.187 -11.690 7.567 1.00 0.00 N ATOM 0 H LYS A1026 -4.877 -8.760 3.051 1.00 0.00 H new ATOM 0 HA LYS A1026 -2.523 -9.027 4.795 1.00 0.00 H new ATOM 0 HB2 LYS A1026 -4.989 -8.430 5.337 1.00 0.00 H new ATOM 0 HB3 LYS A1026 -5.284 -10.145 5.129 1.00 0.00 H new ATOM 0 HG2 LYS A1026 -3.269 -9.030 7.097 1.00 0.00 H new ATOM 0 HG3 LYS A1026 -4.944 -9.347 7.501 1.00 0.00 H new ATOM 0 HD2 LYS A1026 -2.908 -11.396 6.569 1.00 0.00 H new ATOM 0 HD3 LYS A1026 -3.502 -11.196 8.205 1.00 0.00 H new ATOM 0 HE2 LYS A1026 -5.124 -12.042 5.778 1.00 0.00 H new ATOM 0 HE3 LYS A1026 -4.645 -13.061 7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A1026 -6.829 -12.508 7.570 1.00 0.00 H new ATOM 0 HZ2 LYS A1026 -5.963 -11.422 8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A1026 -6.647 -10.891 7.086 1.00 0.00 H new ATOM 1708 N ARG A1027 -1.967 -11.411 4.550 1.00 0.00 N ATOM 1709 CA ARG A1027 -1.355 -12.663 4.161 1.00 0.00 C ATOM 1710 C ARG A1027 -1.108 -13.462 5.405 1.00 0.00 C ATOM 1711 O ARG A1027 -0.691 -12.940 6.413 1.00 0.00 O ATOM 1712 CB ARG A1027 -0.065 -12.431 3.347 1.00 0.00 C ATOM 1713 CG ARG A1027 0.866 -11.369 3.910 1.00 0.00 C ATOM 1714 CD ARG A1027 1.997 -11.036 2.949 1.00 0.00 C ATOM 1715 NE ARG A1027 2.991 -12.089 2.839 1.00 0.00 N ATOM 1716 CZ ARG A1027 4.285 -11.838 2.612 1.00 0.00 C ATOM 1717 NH1 ARG A1027 4.676 -10.643 2.186 1.00 0.00 N ATOM 1718 NH2 ARG A1027 5.189 -12.780 2.805 1.00 0.00 N ATOM 0 H ARG A1027 -1.527 -10.972 5.359 1.00 0.00 H new ATOM 0 HA ARG A1027 -2.022 -13.220 3.502 1.00 0.00 H new ATOM 0 HB2 ARG A1027 0.480 -13.373 3.281 1.00 0.00 H new ATOM 0 HB3 ARG A1027 -0.340 -12.150 2.330 1.00 0.00 H new ATOM 0 HG2 ARG A1027 0.296 -10.465 4.127 1.00 0.00 H new ATOM 0 HG3 ARG A1027 1.284 -11.717 4.855 1.00 0.00 H new ATOM 0 HD2 ARG A1027 1.578 -10.837 1.962 1.00 0.00 H new ATOM 0 HD3 ARG A1027 2.485 -10.119 3.279 1.00 0.00 H new ATOM 0 HE ARG A1027 2.690 -13.059 2.939 1.00 0.00 H new ATOM 0 HH11 ARG A1027 3.987 -9.907 2.029 1.00 0.00 H new ATOM 0 HH12 ARG A1027 5.665 -10.461 2.016 1.00 0.00 H new ATOM 0 HH21 ARG A1027 4.902 -13.704 3.128 1.00 0.00 H new ATOM 0 HH22 ARG A1027 6.175 -12.584 2.631 1.00 0.00 H new ATOM 1732 N LYS A1028 -1.387 -14.712 5.313 1.00 0.00 N ATOM 1733 CA LYS A1028 -1.381 -15.592 6.434 1.00 0.00 C ATOM 1734 C LYS A1028 -0.435 -16.740 6.184 1.00 0.00 C ATOM 1735 O LYS A1028 -0.410 -17.286 5.119 1.00 0.00 O ATOM 1736 CB LYS A1028 -2.815 -16.046 6.680 1.00 0.00 C ATOM 1737 CG LYS A1028 -2.956 -17.221 7.611 1.00 0.00 C ATOM 1738 CD LYS A1028 -4.389 -17.402 8.026 1.00 0.00 C ATOM 1739 CE LYS A1028 -4.846 -16.302 8.967 1.00 0.00 C ATOM 1740 NZ LYS A1028 -6.249 -16.481 9.402 1.00 0.00 N ATOM 0 H LYS A1028 -1.633 -15.167 4.434 1.00 0.00 H new ATOM 0 HA LYS A1028 -1.020 -15.091 7.332 1.00 0.00 H new ATOM 0 HB2 LYS A1028 -3.381 -15.208 7.087 1.00 0.00 H new ATOM 0 HB3 LYS A1028 -3.269 -16.303 5.723 1.00 0.00 H new ATOM 0 HG2 LYS A1028 -2.598 -18.126 7.120 1.00 0.00 H new ATOM 0 HG3 LYS A1028 -2.333 -17.069 8.493 1.00 0.00 H new ATOM 0 HD2 LYS A1028 -5.025 -17.411 7.141 1.00 0.00 H new ATOM 0 HD3 LYS A1028 -4.507 -18.370 8.513 1.00 0.00 H new ATOM 0 HE2 LYS A1028 -4.196 -16.283 9.842 1.00 0.00 H new ATOM 0 HE3 LYS A1028 -4.742 -15.337 8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A1028 -6.410 -15.950 10.282 1.00 0.00 H new ATOM 0 HZ2 LYS A1028 -6.889 -16.128 8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A1028 -6.435 -17.491 9.568 1.00 0.00 H new ATOM 1754 N LYS A1029 0.324 -17.103 7.186 1.00 0.00 N ATOM 1755 CA LYS A1029 1.314 -18.167 7.055 1.00 0.00 C ATOM 1756 C LYS A1029 0.641 -19.487 7.389 1.00 0.00 C ATOM 1757 O LYS A1029 1.122 -20.581 7.099 1.00 0.00 O ATOM 1758 CB LYS A1029 2.421 -17.919 8.078 1.00 0.00 C ATOM 1759 CG LYS A1029 3.597 -18.865 7.988 1.00 0.00 C ATOM 1760 CD LYS A1029 4.563 -18.664 9.140 1.00 0.00 C ATOM 1761 CE LYS A1029 4.974 -17.218 9.294 1.00 0.00 C ATOM 1762 NZ LYS A1029 5.956 -17.034 10.391 1.00 0.00 N ATOM 0 H LYS A1029 0.282 -16.680 8.113 1.00 0.00 H new ATOM 0 HA LYS A1029 1.723 -18.190 6.045 1.00 0.00 H new ATOM 0 HB2 LYS A1029 2.785 -16.899 7.957 1.00 0.00 H new ATOM 0 HB3 LYS A1029 1.993 -17.989 9.078 1.00 0.00 H new ATOM 0 HG2 LYS A1029 3.238 -19.894 7.989 1.00 0.00 H new ATOM 0 HG3 LYS A1029 4.118 -18.710 7.043 1.00 0.00 H new ATOM 0 HD2 LYS A1029 4.100 -19.009 10.065 1.00 0.00 H new ATOM 0 HD3 LYS A1029 5.450 -19.277 8.980 1.00 0.00 H new ATOM 0 HE2 LYS A1029 5.405 -16.862 8.358 1.00 0.00 H new ATOM 0 HE3 LYS A1029 4.092 -16.609 9.491 1.00 0.00 H new ATOM 0 HZ1 LYS A1029 6.212 -16.028 10.463 1.00 0.00 H new ATOM 0 HZ2 LYS A1029 5.537 -17.350 11.289 1.00 0.00 H new ATOM 0 HZ3 LYS A1029 6.809 -17.594 10.191 1.00 0.00 H new ATOM 1776 N ASP A1030 -0.450 -19.315 8.113 1.00 0.00 N ATOM 1777 CA ASP A1030 -1.240 -20.359 8.796 1.00 0.00 C ATOM 1778 C ASP A1030 -0.465 -21.017 9.943 1.00 0.00 C ATOM 1779 O ASP A1030 -1.048 -21.492 10.914 1.00 0.00 O ATOM 1780 CB ASP A1030 -1.813 -21.410 7.845 1.00 0.00 C ATOM 1781 CG ASP A1030 -2.779 -22.333 8.563 1.00 0.00 C ATOM 1782 OD1 ASP A1030 -3.959 -21.962 8.718 1.00 0.00 O ATOM 1783 OD2 ASP A1030 -2.361 -23.411 9.023 1.00 0.00 O ATOM 0 H ASP A1030 -0.845 -18.386 8.258 1.00 0.00 H new ATOM 0 HA ASP A1030 -2.093 -19.834 9.227 1.00 0.00 H new ATOM 0 HB2 ASP A1030 -2.324 -20.916 7.019 1.00 0.00 H new ATOM 0 HB3 ASP A1030 -1.001 -21.995 7.413 1.00 0.00 H new ATOM 1788 N LEU A1031 0.838 -20.906 9.815 1.00 0.00 N ATOM 1789 CA LEU A1031 1.898 -21.421 10.686 1.00 0.00 C ATOM 1790 C LEU A1031 2.295 -22.839 10.281 1.00 0.00 C ATOM 1791 O LEU A1031 3.442 -23.257 10.474 1.00 0.00 O ATOM 1792 CB LEU A1031 1.545 -21.348 12.179 1.00 0.00 C ATOM 1793 CG LEU A1031 2.695 -21.645 13.140 1.00 0.00 C ATOM 1794 CD1 LEU A1031 3.762 -20.568 13.053 1.00 0.00 C ATOM 1795 CD2 LEU A1031 2.192 -21.783 14.564 1.00 0.00 C ATOM 0 H LEU A1031 1.233 -20.403 9.020 1.00 0.00 H new ATOM 0 HA LEU A1031 2.757 -20.765 10.547 1.00 0.00 H new ATOM 0 HB2 LEU A1031 1.161 -20.351 12.396 1.00 0.00 H new ATOM 0 HB3 LEU A1031 0.736 -22.051 12.379 1.00 0.00 H new ATOM 0 HG LEU A1031 3.141 -22.595 12.845 1.00 0.00 H new ATOM 0 HD11 LEU A1031 4.571 -20.800 13.746 1.00 0.00 H new ATOM 0 HD12 LEU A1031 4.155 -20.526 12.037 1.00 0.00 H new ATOM 0 HD13 LEU A1031 3.327 -19.603 13.313 1.00 0.00 H new ATOM 0 HD21 LEU A1031 3.031 -21.994 15.227 1.00 0.00 H new ATOM 0 HD22 LEU A1031 1.711 -20.854 14.872 1.00 0.00 H new ATOM 0 HD23 LEU A1031 1.472 -22.600 14.618 1.00 0.00 H new ATOM 1807 N THR A1032 1.373 -23.551 9.649 1.00 0.00 N ATOM 1808 CA THR A1032 1.619 -24.919 9.218 1.00 0.00 C ATOM 1809 C THR A1032 2.530 -24.961 7.985 1.00 0.00 C ATOM 1810 O THR A1032 3.121 -25.993 7.660 1.00 0.00 O ATOM 1811 CB THR A1032 0.290 -25.640 8.924 1.00 0.00 C ATOM 1812 OG1 THR A1032 -0.491 -24.848 8.021 1.00 0.00 O ATOM 1813 CG2 THR A1032 -0.491 -25.882 10.209 1.00 0.00 C ATOM 0 H THR A1032 0.442 -23.201 9.422 1.00 0.00 H new ATOM 0 HA THR A1032 2.128 -25.436 10.031 1.00 0.00 H new ATOM 0 HB THR A1032 0.509 -26.607 8.471 1.00 0.00 H new ATOM 0 HG1 THR A1032 -1.354 -24.636 8.434 1.00 0.00 H new ATOM 0 HG21 THR A1032 -1.426 -26.392 9.976 1.00 0.00 H new ATOM 0 HG22 THR A1032 0.101 -26.500 10.884 1.00 0.00 H new ATOM 0 HG23 THR A1032 -0.708 -24.927 10.688 1.00 0.00 H new ATOM 1821 N GLN A1033 2.668 -23.818 7.316 1.00 0.00 N ATOM 1822 CA GLN A1033 3.537 -23.712 6.144 1.00 0.00 C ATOM 1823 C GLN A1033 4.999 -23.582 6.545 1.00 0.00 C ATOM 1824 O GLN A1033 5.890 -23.595 5.693 1.00 0.00 O ATOM 1825 CB GLN A1033 3.157 -22.527 5.258 1.00 0.00 C ATOM 1826 CG GLN A1033 1.839 -22.688 4.525 1.00 0.00 C ATOM 1827 CD GLN A1033 1.520 -21.482 3.670 1.00 0.00 C ATOM 1828 OE1 GLN A1033 1.907 -20.363 3.984 1.00 0.00 O ATOM 1829 NE2 GLN A1033 0.829 -21.699 2.571 1.00 0.00 N ATOM 0 H GLN A1033 2.190 -22.952 7.565 1.00 0.00 H new ATOM 0 HA GLN A1033 3.399 -24.633 5.578 1.00 0.00 H new ATOM 0 HB2 GLN A1033 3.108 -21.629 5.874 1.00 0.00 H new ATOM 0 HB3 GLN A1033 3.949 -22.368 4.526 1.00 0.00 H new ATOM 0 HG2 GLN A1033 1.879 -23.578 3.897 1.00 0.00 H new ATOM 0 HG3 GLN A1033 1.038 -22.843 5.248 1.00 0.00 H new ATOM 0 HE21 GLN A1033 0.522 -22.644 2.340 1.00 0.00 H new ATOM 0 HE22 GLN A1033 0.600 -20.922 1.951 1.00 0.00 H new