USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=29 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 998 THR OG1 : rot 180:sc= 0.00324 USER MOD Set 1.2: A1017 THR OG1 : rot 110:sc= 0.3 USER MOD Set 2.1: A 995 TYR OH : rot 15:sc= 0.887 USER MOD Set 2.2: A1013 LYS NZ :NH3+ -173:sc= 1.04 (180deg=0) USER MOD Set 3.1: A 937 ASN : amide:sc= -1.58! C(o=-0.75!,f=-5.4!) USER MOD Set 3.2: A 954 THR OG1 : rot -100:sc= 0.822 USER MOD Set 4.1: A 939 SER OG : rot 160:sc= -0.234 USER MOD Set 4.2: A1018 HIS : no HD1:sc= 0 X(o=-0.23,f=-0.24) USER MOD Set 5.1: A 928 THR OG1 : rot -160:sc=-0.00634 USER MOD Set 5.2: A1029 LYS NZ :NH3+ 178:sc= -0.0936 (180deg=-0.112) USER MOD Single : A 927 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 931 THR OG1 : rot 180:sc= -0.516 USER MOD Single : A 935 TYR OH : rot 180:sc= 0.937 USER MOD Single : A 936 GLN : amide:sc= -3.6 K(o=-3.6,f=-8.1!) USER MOD Single : A 941 TYR OH : rot 180:sc= 0 USER MOD Single : A 947 LYS NZ :NH3+ -165:sc= -0.0286 (180deg=-0.219) USER MOD Single : A 952 THR OG1 : rot 180:sc= 0 USER MOD Single : A 953 TYR OH : rot 180:sc= 0 USER MOD Single : A 957 ASN : amide:sc= -2.2! C(o=-2.2!,f=-6.6!) USER MOD Single : A 960 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 963 SER OG : rot 84:sc= 1.13 USER MOD Single : A 965 SER OG : rot 180:sc= 0.0487 USER MOD Single : A 968 THR OG1 : rot 180:sc= 0 USER MOD Single : A 969 CYS SG : rot 180:sc= 0.126 USER MOD Single : A 981 SER OG : rot 69:sc= 0.345 USER MOD Single : A 982 TYR OH : rot 180:sc= 0 USER MOD Single : A 985 ASN : amide:sc= -0.753 K(o=-0.75,f=-0.041) USER MOD Single : A 991 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00788) USER MOD Single : A1003 HIS : no HD1:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A1004 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.2) USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1014 MET CE :methyl 155:sc= -0.168 (180deg=-0.926) USER MOD Single : A1015 TYR OH : rot 180:sc= 0 USER MOD Single : A1016 HIS : no HE2:sc= -7.78! C(o=-7.8!,f=-16!) USER MOD Single : A1026 LYS NZ :NH3+ 174:sc= 1.18 (180deg=1.05) USER MOD Single : A1028 LYS NZ :NH3+ 145:sc= 0.0259 (180deg=0) USER MOD Single : A1032 THR OG1 : rot 180:sc= 0.0461 USER MOD Single : A1033 GLN : amide:sc= -3.04! C(o=-3!,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 121 N HIS A 927 -0.838 -17.820 13.940 1.00 0.00 N ATOM 122 CA HIS A 927 -1.102 -17.467 12.554 1.00 0.00 C ATOM 123 C HIS A 927 0.157 -16.941 11.961 1.00 0.00 C ATOM 124 O HIS A 927 0.667 -17.489 10.992 1.00 0.00 O ATOM 125 CB HIS A 927 -2.083 -16.314 12.310 1.00 0.00 C ATOM 126 CG HIS A 927 -3.345 -16.301 13.107 1.00 0.00 C ATOM 127 ND1 HIS A 927 -4.380 -17.173 12.909 1.00 0.00 N ATOM 128 CD2 HIS A 927 -3.741 -15.473 14.092 1.00 0.00 C ATOM 129 CE1 HIS A 927 -5.361 -16.877 13.734 1.00 0.00 C ATOM 130 NE2 HIS A 927 -5.000 -15.846 14.466 1.00 0.00 N ATOM 0 HA HIS A 927 -1.515 -18.384 12.134 1.00 0.00 H new ATOM 0 HB2 HIS A 927 -1.556 -15.379 12.499 1.00 0.00 H new ATOM 0 HB3 HIS A 927 -2.353 -16.320 11.254 1.00 0.00 H new ATOM 0 HD2 HIS A 927 -3.166 -14.660 14.511 1.00 0.00 H new ATOM 0 HE1 HIS A 927 -6.306 -17.395 13.799 1.00 0.00 H new ATOM 0 HE2 HIS A 927 -5.564 -15.401 15.190 1.00 0.00 H new ATOM 139 N THR A 928 0.644 -15.853 12.559 1.00 0.00 N ATOM 140 CA THR A 928 1.659 -15.006 12.005 1.00 0.00 C ATOM 141 C THR A 928 1.115 -14.399 10.750 1.00 0.00 C ATOM 142 O THR A 928 1.228 -14.959 9.683 1.00 0.00 O ATOM 143 CB THR A 928 2.964 -15.691 11.659 1.00 0.00 C ATOM 144 OG1 THR A 928 3.262 -16.726 12.609 1.00 0.00 O ATOM 145 CG2 THR A 928 4.094 -14.675 11.649 1.00 0.00 C ATOM 0 H THR A 928 0.320 -15.541 13.474 1.00 0.00 H new ATOM 0 HA THR A 928 1.898 -14.279 12.781 1.00 0.00 H new ATOM 0 HB THR A 928 2.864 -16.139 10.670 1.00 0.00 H new ATOM 0 HG1 THR A 928 4.218 -16.938 12.573 1.00 0.00 H new ATOM 0 HG21 THR A 928 5.030 -15.174 11.399 1.00 0.00 H new ATOM 0 HG22 THR A 928 3.884 -13.905 10.907 1.00 0.00 H new ATOM 0 HG23 THR A 928 4.179 -14.216 12.634 1.00 0.00 H new ATOM 153 N GLU A 929 0.455 -13.303 10.879 1.00 0.00 N ATOM 154 CA GLU A 929 -0.088 -12.660 9.731 1.00 0.00 C ATOM 155 C GLU A 929 0.821 -11.484 9.402 1.00 0.00 C ATOM 156 O GLU A 929 1.685 -11.110 10.207 1.00 0.00 O ATOM 157 CB GLU A 929 -1.519 -12.175 9.995 1.00 0.00 C ATOM 158 CG GLU A 929 -1.590 -11.133 11.068 1.00 0.00 C ATOM 159 CD GLU A 929 -1.479 -11.684 12.477 1.00 0.00 C ATOM 160 OE1 GLU A 929 -0.348 -11.803 12.998 1.00 0.00 O ATOM 161 OE2 GLU A 929 -2.521 -12.012 13.072 1.00 0.00 O ATOM 0 H GLU A 929 0.277 -12.832 11.766 1.00 0.00 H new ATOM 0 HA GLU A 929 -0.138 -13.358 8.895 1.00 0.00 H new ATOM 0 HB2 GLU A 929 -1.936 -11.770 9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 929 -2.139 -13.025 10.279 1.00 0.00 H new ATOM 0 HG2 GLU A 929 -0.791 -10.409 10.909 1.00 0.00 H new ATOM 0 HG3 GLU A 929 -2.533 -10.594 10.974 1.00 0.00 H new ATOM 168 N PHE A 930 0.633 -10.910 8.250 1.00 0.00 N ATOM 169 CA PHE A 930 1.400 -9.747 7.832 1.00 0.00 C ATOM 170 C PHE A 930 0.590 -8.933 6.826 1.00 0.00 C ATOM 171 O PHE A 930 0.161 -9.466 5.816 1.00 0.00 O ATOM 172 CB PHE A 930 2.735 -10.194 7.213 1.00 0.00 C ATOM 173 CG PHE A 930 3.614 -9.069 6.741 1.00 0.00 C ATOM 174 CD1 PHE A 930 4.325 -8.301 7.649 1.00 0.00 C ATOM 175 CD2 PHE A 930 3.730 -8.781 5.390 1.00 0.00 C ATOM 176 CE1 PHE A 930 5.135 -7.268 7.218 1.00 0.00 C ATOM 177 CE2 PHE A 930 4.539 -7.750 4.953 1.00 0.00 C ATOM 178 CZ PHE A 930 5.242 -6.993 5.867 1.00 0.00 C ATOM 0 H PHE A 930 -0.054 -11.226 7.565 1.00 0.00 H new ATOM 0 HA PHE A 930 1.613 -9.123 8.700 1.00 0.00 H new ATOM 0 HB2 PHE A 930 3.283 -10.781 7.949 1.00 0.00 H new ATOM 0 HB3 PHE A 930 2.527 -10.853 6.370 1.00 0.00 H new ATOM 0 HD1 PHE A 930 4.245 -8.512 8.705 1.00 0.00 H new ATOM 0 HD2 PHE A 930 3.181 -9.370 4.670 1.00 0.00 H new ATOM 0 HE1 PHE A 930 5.684 -6.676 7.935 1.00 0.00 H new ATOM 0 HE2 PHE A 930 4.621 -7.537 3.897 1.00 0.00 H new ATOM 0 HZ PHE A 930 5.875 -6.186 5.528 1.00 0.00 H new ATOM 188 N THR A 931 0.312 -7.679 7.124 1.00 0.00 N ATOM 189 CA THR A 931 -0.341 -6.840 6.138 1.00 0.00 C ATOM 190 C THR A 931 0.708 -6.372 5.142 1.00 0.00 C ATOM 191 O THR A 931 1.715 -5.764 5.524 1.00 0.00 O ATOM 192 CB THR A 931 -1.033 -5.609 6.761 1.00 0.00 C ATOM 193 OG1 THR A 931 -1.801 -6.018 7.903 1.00 0.00 O ATOM 194 CG2 THR A 931 -1.960 -4.941 5.737 1.00 0.00 C ATOM 0 H THR A 931 0.521 -7.228 8.015 1.00 0.00 H new ATOM 0 HA THR A 931 -1.119 -7.432 5.656 1.00 0.00 H new ATOM 0 HB THR A 931 -0.269 -4.894 7.066 1.00 0.00 H new ATOM 0 HG1 THR A 931 -2.239 -5.236 8.300 1.00 0.00 H new ATOM 0 HG21 THR A 931 -2.440 -4.075 6.192 1.00 0.00 H new ATOM 0 HG22 THR A 931 -1.377 -4.621 4.873 1.00 0.00 H new ATOM 0 HG23 THR A 931 -2.722 -5.652 5.418 1.00 0.00 H new ATOM 202 N ASP A 932 0.495 -6.686 3.891 1.00 0.00 N ATOM 203 CA ASP A 932 1.407 -6.295 2.845 1.00 0.00 C ATOM 204 C ASP A 932 0.727 -5.129 2.148 1.00 0.00 C ATOM 205 O ASP A 932 -0.503 -5.094 2.091 1.00 0.00 O ATOM 206 CB ASP A 932 1.648 -7.462 1.879 1.00 0.00 C ATOM 207 CG ASP A 932 2.992 -7.388 1.184 1.00 0.00 C ATOM 208 OD1 ASP A 932 3.308 -6.350 0.565 1.00 0.00 O ATOM 209 OD2 ASP A 932 3.760 -8.380 1.250 1.00 0.00 O ATOM 0 H ASP A 932 -0.313 -7.218 3.568 1.00 0.00 H new ATOM 0 HA ASP A 932 2.387 -6.014 3.231 1.00 0.00 H new ATOM 0 HB2 ASP A 932 1.581 -8.401 2.428 1.00 0.00 H new ATOM 0 HB3 ASP A 932 0.857 -7.474 1.129 1.00 0.00 H new ATOM 214 N GLU A 933 1.476 -4.172 1.666 1.00 0.00 N ATOM 215 CA GLU A 933 0.884 -2.967 1.117 1.00 0.00 C ATOM 216 C GLU A 933 1.703 -2.443 -0.057 1.00 0.00 C ATOM 217 O GLU A 933 2.927 -2.620 -0.099 1.00 0.00 O ATOM 218 CB GLU A 933 0.761 -1.916 2.221 1.00 0.00 C ATOM 219 CG GLU A 933 2.087 -1.362 2.725 1.00 0.00 C ATOM 220 CD GLU A 933 1.916 -0.289 3.772 1.00 0.00 C ATOM 221 OE1 GLU A 933 1.617 -0.614 4.943 1.00 0.00 O ATOM 222 OE2 GLU A 933 2.055 0.901 3.434 1.00 0.00 O ATOM 0 H GLU A 933 2.495 -4.197 1.640 1.00 0.00 H new ATOM 0 HA GLU A 933 -0.111 -3.197 0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 933 0.155 -1.089 1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 933 0.223 -2.354 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 933 2.681 -2.176 3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 933 2.648 -0.955 1.884 1.00 0.00 H new ATOM 229 N VAL A 934 1.037 -1.830 -1.016 1.00 0.00 N ATOM 230 CA VAL A 934 1.710 -1.216 -2.167 1.00 0.00 C ATOM 231 C VAL A 934 0.885 -0.062 -2.697 1.00 0.00 C ATOM 232 O VAL A 934 -0.323 -0.160 -2.822 1.00 0.00 O ATOM 233 CB VAL A 934 2.025 -2.222 -3.299 1.00 0.00 C ATOM 234 CG1 VAL A 934 0.789 -2.987 -3.740 1.00 0.00 C ATOM 235 CG2 VAL A 934 2.675 -1.547 -4.504 1.00 0.00 C ATOM 0 H VAL A 934 0.021 -1.738 -1.029 1.00 0.00 H new ATOM 0 HA VAL A 934 2.671 -0.847 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 934 2.738 -2.932 -2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 934 1.056 -3.682 -4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 934 0.384 -3.542 -2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 934 0.039 -2.286 -4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 934 2.878 -2.292 -5.273 1.00 0.00 H new ATOM 0 HG22 VAL A 934 2.002 -0.788 -4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 934 3.610 -1.078 -4.198 1.00 0.00 H new ATOM 245 N TYR A 935 1.534 1.041 -2.957 1.00 0.00 N ATOM 246 CA TYR A 935 0.883 2.258 -3.366 1.00 0.00 C ATOM 247 C TYR A 935 0.797 2.432 -4.875 1.00 0.00 C ATOM 248 O TYR A 935 1.651 1.960 -5.631 1.00 0.00 O ATOM 249 CB TYR A 935 1.629 3.431 -2.770 1.00 0.00 C ATOM 250 CG TYR A 935 1.530 3.525 -1.268 1.00 0.00 C ATOM 251 CD1 TYR A 935 2.422 2.852 -0.447 1.00 0.00 C ATOM 252 CD2 TYR A 935 0.546 4.295 -0.670 1.00 0.00 C ATOM 253 CE1 TYR A 935 2.336 2.946 0.923 1.00 0.00 C ATOM 254 CE2 TYR A 935 0.456 4.397 0.700 1.00 0.00 C ATOM 255 CZ TYR A 935 1.354 3.723 1.491 1.00 0.00 C ATOM 256 OH TYR A 935 1.270 3.825 2.856 1.00 0.00 O ATOM 0 H TYR A 935 2.549 1.121 -2.889 1.00 0.00 H new ATOM 0 HA TYR A 935 -0.144 2.207 -3.004 1.00 0.00 H new ATOM 0 HB2 TYR A 935 2.680 3.360 -3.050 1.00 0.00 H new ATOM 0 HB3 TYR A 935 1.244 4.352 -3.207 1.00 0.00 H new ATOM 0 HD1 TYR A 935 3.197 2.244 -0.890 1.00 0.00 H new ATOM 0 HD2 TYR A 935 -0.163 4.825 -1.289 1.00 0.00 H new ATOM 0 HE1 TYR A 935 3.036 2.412 1.549 1.00 0.00 H new ATOM 0 HE2 TYR A 935 -0.316 5.003 1.150 1.00 0.00 H new ATOM 0 HH TYR A 935 0.523 4.412 3.095 1.00 0.00 H new ATOM 266 N GLN A 936 -0.234 3.159 -5.262 1.00 0.00 N ATOM 267 CA GLN A 936 -0.465 3.552 -6.637 1.00 0.00 C ATOM 268 C GLN A 936 -0.266 5.055 -6.666 1.00 0.00 C ATOM 269 O GLN A 936 -1.015 5.776 -6.005 1.00 0.00 O ATOM 270 CB GLN A 936 -1.888 3.228 -7.106 1.00 0.00 C ATOM 271 CG GLN A 936 -2.268 1.762 -7.021 1.00 0.00 C ATOM 272 CD GLN A 936 -3.638 1.470 -7.614 1.00 0.00 C ATOM 273 OE1 GLN A 936 -4.333 0.558 -7.189 1.00 0.00 O ATOM 274 NE2 GLN A 936 -4.042 2.218 -8.615 1.00 0.00 N ATOM 0 H GLN A 936 -0.947 3.499 -4.617 1.00 0.00 H new ATOM 0 HA GLN A 936 0.212 3.012 -7.299 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -2.593 3.807 -6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -1.999 3.558 -8.139 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -1.518 1.167 -7.542 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -2.255 1.449 -5.977 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -3.450 2.975 -8.957 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -4.948 2.042 -9.050 1.00 0.00 H new ATOM 283 N ASN A 937 0.757 5.517 -7.352 1.00 0.00 N ATOM 284 CA ASN A 937 1.092 6.943 -7.380 1.00 0.00 C ATOM 285 C ASN A 937 0.742 7.627 -8.704 1.00 0.00 C ATOM 286 O ASN A 937 0.982 7.090 -9.789 1.00 0.00 O ATOM 287 CB ASN A 937 2.578 7.170 -7.071 1.00 0.00 C ATOM 288 CG ASN A 937 2.883 7.363 -5.597 1.00 0.00 C ATOM 289 OD1 ASN A 937 2.833 8.484 -5.090 1.00 0.00 O ATOM 290 ND2 ASN A 937 3.272 6.316 -4.900 1.00 0.00 N ATOM 0 H ASN A 937 1.381 4.929 -7.905 1.00 0.00 H new ATOM 0 HA ASN A 937 0.477 7.399 -6.604 1.00 0.00 H new ATOM 0 HB2 ASN A 937 3.149 6.318 -7.440 1.00 0.00 H new ATOM 0 HB3 ASN A 937 2.922 8.047 -7.620 1.00 0.00 H new ATOM 0 HD21 ASN A 937 3.539 6.425 -3.922 1.00 0.00 H new ATOM 0 HD22 ASN A 937 3.307 5.396 -5.338 1.00 0.00 H new ATOM 297 N GLU A 938 0.220 8.845 -8.589 1.00 0.00 N ATOM 298 CA GLU A 938 -0.122 9.700 -9.727 1.00 0.00 C ATOM 299 C GLU A 938 0.389 11.097 -9.417 1.00 0.00 C ATOM 300 O GLU A 938 0.552 11.451 -8.237 1.00 0.00 O ATOM 301 CB GLU A 938 -1.638 9.746 -9.962 1.00 0.00 C ATOM 302 CG GLU A 938 -2.223 8.434 -10.454 1.00 0.00 C ATOM 303 CD GLU A 938 -3.728 8.475 -10.607 1.00 0.00 C ATOM 304 OE1 GLU A 938 -4.318 9.577 -10.644 1.00 0.00 O ATOM 305 OE2 GLU A 938 -4.350 7.396 -10.708 1.00 0.00 O ATOM 0 H GLU A 938 0.018 9.275 -7.687 1.00 0.00 H new ATOM 0 HA GLU A 938 0.335 9.301 -10.633 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -2.132 10.027 -9.032 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -1.860 10.527 -10.689 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -1.773 8.180 -11.414 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -1.956 7.640 -9.757 1.00 0.00 H new ATOM 312 N SER A 939 0.698 11.870 -10.438 1.00 0.00 N ATOM 313 CA SER A 939 1.200 13.215 -10.255 1.00 0.00 C ATOM 314 C SER A 939 0.711 14.150 -11.353 1.00 0.00 C ATOM 315 O SER A 939 0.719 13.805 -12.532 1.00 0.00 O ATOM 316 CB SER A 939 2.719 13.192 -10.169 1.00 0.00 C ATOM 317 OG SER A 939 3.110 12.367 -9.089 1.00 0.00 O ATOM 0 H SER A 939 0.609 11.585 -11.413 1.00 0.00 H new ATOM 0 HA SER A 939 0.808 13.607 -9.317 1.00 0.00 H new ATOM 0 HB2 SER A 939 3.143 12.817 -11.101 1.00 0.00 H new ATOM 0 HB3 SER A 939 3.103 14.202 -10.028 1.00 0.00 H new ATOM 0 HG SER A 939 4.041 12.087 -9.211 1.00 0.00 H new ATOM 323 N ARG A 940 0.325 15.335 -10.938 1.00 0.00 N ATOM 324 CA ARG A 940 -0.280 16.338 -11.781 1.00 0.00 C ATOM 325 C ARG A 940 0.286 17.681 -11.391 1.00 0.00 C ATOM 326 O ARG A 940 0.891 17.805 -10.329 1.00 0.00 O ATOM 327 CB ARG A 940 -1.797 16.405 -11.587 1.00 0.00 C ATOM 328 CG ARG A 940 -2.225 16.830 -10.191 1.00 0.00 C ATOM 329 CD ARG A 940 -3.682 17.251 -10.154 1.00 0.00 C ATOM 330 NE ARG A 940 -3.990 17.963 -8.915 1.00 0.00 N ATOM 331 CZ ARG A 940 -5.205 18.095 -8.370 1.00 0.00 C ATOM 332 NH1 ARG A 940 -6.260 17.482 -8.891 1.00 0.00 N ATOM 333 NH2 ARG A 940 -5.356 18.851 -7.293 1.00 0.00 N ATOM 0 H ARG A 940 0.428 15.637 -9.969 1.00 0.00 H new ATOM 0 HA ARG A 940 -0.069 16.082 -12.819 1.00 0.00 H new ATOM 0 HB2 ARG A 940 -2.215 17.103 -12.312 1.00 0.00 H new ATOM 0 HB3 ARG A 940 -2.224 15.426 -11.804 1.00 0.00 H new ATOM 0 HG2 ARG A 940 -2.067 16.006 -9.495 1.00 0.00 H new ATOM 0 HG3 ARG A 940 -1.599 17.656 -9.854 1.00 0.00 H new ATOM 0 HD2 ARG A 940 -3.901 17.890 -11.009 1.00 0.00 H new ATOM 0 HD3 ARG A 940 -4.321 16.372 -10.241 1.00 0.00 H new ATOM 0 HE ARG A 940 -3.210 18.398 -8.422 1.00 0.00 H new ATOM 0 HH11 ARG A 940 -6.153 16.898 -9.721 1.00 0.00 H new ATOM 0 HH12 ARG A 940 -7.179 17.594 -8.462 1.00 0.00 H new ATOM 0 HH21 ARG A 940 -4.550 19.326 -6.886 1.00 0.00 H new ATOM 0 HH22 ARG A 940 -6.278 18.958 -6.870 1.00 0.00 H new ATOM 347 N TYR A 941 0.156 18.660 -12.259 1.00 0.00 N ATOM 348 CA TYR A 941 0.476 20.035 -11.894 1.00 0.00 C ATOM 349 C TYR A 941 -0.531 20.450 -10.823 1.00 0.00 C ATOM 350 O TYR A 941 -1.583 19.809 -10.711 1.00 0.00 O ATOM 351 CB TYR A 941 0.287 20.958 -13.091 1.00 0.00 C ATOM 352 CG TYR A 941 0.762 20.345 -14.386 1.00 0.00 C ATOM 353 CD1 TYR A 941 2.114 20.150 -14.614 1.00 0.00 C ATOM 354 CD2 TYR A 941 -0.140 19.912 -15.353 1.00 0.00 C ATOM 355 CE1 TYR A 941 2.560 19.552 -15.770 1.00 0.00 C ATOM 356 CE2 TYR A 941 0.300 19.300 -16.511 1.00 0.00 C ATOM 357 CZ TYR A 941 1.650 19.126 -16.714 1.00 0.00 C ATOM 358 OH TYR A 941 2.101 18.491 -17.848 1.00 0.00 O ATOM 0 H TYR A 941 -0.167 18.538 -13.219 1.00 0.00 H new ATOM 0 HA TYR A 941 1.508 20.102 -11.549 1.00 0.00 H new ATOM 0 HB2 TYR A 941 -0.768 21.215 -13.182 1.00 0.00 H new ATOM 0 HB3 TYR A 941 0.828 21.888 -12.915 1.00 0.00 H new ATOM 0 HD1 TYR A 941 2.830 20.473 -13.872 1.00 0.00 H new ATOM 0 HD2 TYR A 941 -1.199 20.056 -15.196 1.00 0.00 H new ATOM 0 HE1 TYR A 941 3.618 19.417 -15.937 1.00 0.00 H new ATOM 0 HE2 TYR A 941 -0.410 18.961 -17.251 1.00 0.00 H new ATOM 0 HH TYR A 941 1.338 18.251 -18.414 1.00 0.00 H new ATOM 368 N PRO A 942 -0.271 21.503 -10.040 1.00 0.00 N ATOM 369 CA PRO A 942 -1.215 21.943 -9.016 1.00 0.00 C ATOM 370 C PRO A 942 -2.511 22.475 -9.626 1.00 0.00 C ATOM 371 O PRO A 942 -2.638 23.668 -9.915 1.00 0.00 O ATOM 372 CB PRO A 942 -0.475 23.054 -8.276 1.00 0.00 C ATOM 373 CG PRO A 942 0.948 22.975 -8.720 1.00 0.00 C ATOM 374 CD PRO A 942 0.935 22.347 -10.078 1.00 0.00 C ATOM 0 HA PRO A 942 -1.515 21.122 -8.364 1.00 0.00 H new ATOM 0 HB2 PRO A 942 -0.902 24.029 -8.510 1.00 0.00 H new ATOM 0 HB3 PRO A 942 -0.554 22.922 -7.197 1.00 0.00 H new ATOM 0 HG2 PRO A 942 1.399 23.967 -8.756 1.00 0.00 H new ATOM 0 HG3 PRO A 942 1.539 22.381 -8.023 1.00 0.00 H new ATOM 0 HD2 PRO A 942 0.879 23.095 -10.868 1.00 0.00 H new ATOM 0 HD3 PRO A 942 1.834 21.758 -10.259 1.00 0.00 H new ATOM 382 N GLY A 943 -3.447 21.577 -9.882 1.00 0.00 N ATOM 383 CA GLY A 943 -4.670 21.942 -10.538 1.00 0.00 C ATOM 384 C GLY A 943 -4.542 21.563 -11.992 1.00 0.00 C ATOM 385 O GLY A 943 -4.422 22.431 -12.860 1.00 0.00 O ATOM 0 H GLY A 943 -3.373 20.589 -9.641 1.00 0.00 H new ATOM 0 HA2 GLY A 943 -5.516 21.428 -10.082 1.00 0.00 H new ATOM 0 HA3 GLY A 943 -4.854 23.012 -10.436 1.00 0.00 H new ATOM 389 N GLY A 944 -4.541 20.264 -12.257 1.00 0.00 N ATOM 390 CA GLY A 944 -4.285 19.788 -13.596 1.00 0.00 C ATOM 391 C GLY A 944 -4.653 18.326 -13.775 1.00 0.00 C ATOM 392 O GLY A 944 -5.541 17.813 -13.097 1.00 0.00 O ATOM 0 H GLY A 944 -4.713 19.533 -11.567 1.00 0.00 H new ATOM 0 HA2 GLY A 944 -4.850 20.391 -14.307 1.00 0.00 H new ATOM 0 HA3 GLY A 944 -3.229 19.925 -13.831 1.00 0.00 H new ATOM 396 N ASP A 945 -3.910 17.657 -14.637 1.00 0.00 N ATOM 397 CA ASP A 945 -4.176 16.256 -14.997 1.00 0.00 C ATOM 398 C ASP A 945 -3.095 15.340 -14.452 1.00 0.00 C ATOM 399 O ASP A 945 -1.908 15.616 -14.652 1.00 0.00 O ATOM 400 CB ASP A 945 -4.230 16.072 -16.517 1.00 0.00 C ATOM 401 CG ASP A 945 -5.399 16.748 -17.191 1.00 0.00 C ATOM 402 OD1 ASP A 945 -6.487 16.134 -17.294 1.00 0.00 O ATOM 403 OD2 ASP A 945 -5.250 17.889 -17.663 1.00 0.00 O ATOM 0 H ASP A 945 -3.103 18.060 -15.113 1.00 0.00 H new ATOM 0 HA ASP A 945 -5.141 15.998 -14.560 1.00 0.00 H new ATOM 0 HB2 ASP A 945 -3.306 16.457 -16.949 1.00 0.00 H new ATOM 0 HB3 ASP A 945 -4.266 15.006 -16.740 1.00 0.00 H new ATOM 408 N TRP A 946 -3.481 14.274 -13.739 1.00 0.00 N ATOM 409 CA TRP A 946 -2.526 13.317 -13.247 1.00 0.00 C ATOM 410 C TRP A 946 -2.015 12.461 -14.401 1.00 0.00 C ATOM 411 O TRP A 946 -2.686 12.275 -15.421 1.00 0.00 O ATOM 412 CB TRP A 946 -3.140 12.364 -12.206 1.00 0.00 C ATOM 413 CG TRP A 946 -3.878 12.976 -11.064 1.00 0.00 C ATOM 414 CD1 TRP A 946 -5.217 13.122 -10.973 1.00 0.00 C ATOM 415 CD2 TRP A 946 -3.337 13.466 -9.829 1.00 0.00 C ATOM 416 NE1 TRP A 946 -5.548 13.686 -9.780 1.00 0.00 N ATOM 417 CE2 TRP A 946 -4.418 13.921 -9.060 1.00 0.00 C ATOM 418 CE3 TRP A 946 -2.053 13.581 -9.305 1.00 0.00 C ATOM 419 CZ2 TRP A 946 -4.260 14.480 -7.795 1.00 0.00 C ATOM 420 CZ3 TRP A 946 -1.892 14.137 -8.051 1.00 0.00 C ATOM 421 CH2 TRP A 946 -2.990 14.582 -7.309 1.00 0.00 C ATOM 0 H TRP A 946 -4.451 14.067 -13.499 1.00 0.00 H new ATOM 0 HA TRP A 946 -1.722 13.886 -12.780 1.00 0.00 H new ATOM 0 HB2 TRP A 946 -3.823 11.692 -12.726 1.00 0.00 H new ATOM 0 HB3 TRP A 946 -2.338 11.750 -11.798 1.00 0.00 H new ATOM 0 HD1 TRP A 946 -5.923 12.833 -11.737 1.00 0.00 H new ATOM 0 HE1 TRP A 946 -6.497 13.900 -9.473 1.00 0.00 H new ATOM 0 HE3 TRP A 946 -1.197 13.241 -9.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 946 -5.110 14.819 -7.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 946 -0.899 14.230 -7.636 1.00 0.00 H new ATOM 0 HH2 TRP A 946 -2.829 15.015 -6.333 1.00 0.00 H new ATOM 432 N LYS A 947 -0.818 11.987 -14.218 1.00 0.00 N ATOM 433 CA LYS A 947 -0.159 11.020 -15.063 1.00 0.00 C ATOM 434 C LYS A 947 0.415 10.025 -14.078 1.00 0.00 C ATOM 435 O LYS A 947 0.349 10.309 -12.878 1.00 0.00 O ATOM 436 CB LYS A 947 0.989 11.675 -15.845 1.00 0.00 C ATOM 437 CG LYS A 947 0.562 12.687 -16.891 1.00 0.00 C ATOM 438 CD LYS A 947 1.767 13.379 -17.498 1.00 0.00 C ATOM 439 CE LYS A 947 1.389 14.264 -18.673 1.00 0.00 C ATOM 440 NZ LYS A 947 0.870 13.475 -19.817 1.00 0.00 N ATOM 0 H LYS A 947 -0.238 12.278 -13.431 1.00 0.00 H new ATOM 0 HA LYS A 947 -0.834 10.578 -15.796 1.00 0.00 H new ATOM 0 HB2 LYS A 947 1.655 12.167 -15.137 1.00 0.00 H new ATOM 0 HB3 LYS A 947 1.567 10.892 -16.335 1.00 0.00 H new ATOM 0 HG2 LYS A 947 -0.008 12.188 -17.674 1.00 0.00 H new ATOM 0 HG3 LYS A 947 -0.098 13.427 -16.439 1.00 0.00 H new ATOM 0 HD2 LYS A 947 2.260 13.982 -16.735 1.00 0.00 H new ATOM 0 HD3 LYS A 947 2.487 12.629 -17.827 1.00 0.00 H new ATOM 0 HE2 LYS A 947 0.634 14.984 -18.357 1.00 0.00 H new ATOM 0 HE3 LYS A 947 2.261 14.835 -18.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 947 0.864 14.067 -20.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 947 1.480 12.647 -19.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 947 -0.098 13.157 -19.609 1.00 0.00 H new ATOM 454 N PRO A 948 0.922 8.857 -14.491 1.00 0.00 N ATOM 455 CA PRO A 948 1.652 8.008 -13.559 1.00 0.00 C ATOM 456 C PRO A 948 2.799 8.830 -12.972 1.00 0.00 C ATOM 457 O PRO A 948 3.602 9.376 -13.732 1.00 0.00 O ATOM 458 CB PRO A 948 2.174 6.870 -14.440 1.00 0.00 C ATOM 459 CG PRO A 948 1.259 6.845 -15.617 1.00 0.00 C ATOM 460 CD PRO A 948 0.809 8.264 -15.830 1.00 0.00 C ATOM 0 HA PRO A 948 1.060 7.630 -12.726 1.00 0.00 H new ATOM 0 HB2 PRO A 948 3.205 7.048 -14.745 1.00 0.00 H new ATOM 0 HB3 PRO A 948 2.159 5.919 -13.907 1.00 0.00 H new ATOM 0 HG2 PRO A 948 1.771 6.463 -16.500 1.00 0.00 H new ATOM 0 HG3 PRO A 948 0.407 6.190 -15.434 1.00 0.00 H new ATOM 0 HD2 PRO A 948 1.438 8.782 -16.554 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -0.213 8.310 -16.206 1.00 0.00 H new ATOM 468 N ALA A 949 2.835 8.908 -11.634 1.00 0.00 N ATOM 469 CA ALA A 949 3.747 9.793 -10.869 1.00 0.00 C ATOM 470 C ALA A 949 5.134 9.915 -11.472 1.00 0.00 C ATOM 471 O ALA A 949 5.597 11.009 -11.809 1.00 0.00 O ATOM 472 CB ALA A 949 3.862 9.309 -9.438 1.00 0.00 C ATOM 0 H ALA A 949 2.224 8.352 -11.036 1.00 0.00 H new ATOM 0 HA ALA A 949 3.301 10.787 -10.906 1.00 0.00 H new ATOM 0 HB1 ALA A 949 4.534 9.965 -8.885 1.00 0.00 H new ATOM 0 HB2 ALA A 949 2.878 9.320 -8.970 1.00 0.00 H new ATOM 0 HB3 ALA A 949 4.258 8.293 -9.428 1.00 0.00 H new ATOM 478 N GLU A 950 5.762 8.785 -11.599 1.00 0.00 N ATOM 479 CA GLU A 950 7.088 8.641 -12.154 1.00 0.00 C ATOM 480 C GLU A 950 7.255 7.158 -12.361 1.00 0.00 C ATOM 481 O GLU A 950 7.770 6.677 -13.368 1.00 0.00 O ATOM 482 CB GLU A 950 8.140 9.247 -11.206 1.00 0.00 C ATOM 483 CG GLU A 950 8.124 8.713 -9.775 1.00 0.00 C ATOM 484 CD GLU A 950 9.124 9.410 -8.882 1.00 0.00 C ATOM 485 OE1 GLU A 950 8.795 10.479 -8.328 1.00 0.00 O ATOM 486 OE2 GLU A 950 10.261 8.915 -8.717 1.00 0.00 O ATOM 0 H GLU A 950 5.353 7.897 -11.309 1.00 0.00 H new ATOM 0 HA GLU A 950 7.223 9.176 -13.094 1.00 0.00 H new ATOM 0 HB2 GLU A 950 9.129 9.071 -11.629 1.00 0.00 H new ATOM 0 HB3 GLU A 950 7.995 10.327 -11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 950 7.124 8.833 -9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 950 8.337 7.644 -9.788 1.00 0.00 H new ATOM 493 N ASP A 951 6.747 6.458 -11.379 1.00 0.00 N ATOM 494 CA ASP A 951 6.544 5.039 -11.412 1.00 0.00 C ATOM 495 C ASP A 951 5.127 4.844 -10.939 1.00 0.00 C ATOM 496 O ASP A 951 4.572 5.757 -10.313 1.00 0.00 O ATOM 497 CB ASP A 951 7.534 4.314 -10.504 1.00 0.00 C ATOM 498 CG ASP A 951 8.970 4.527 -10.933 1.00 0.00 C ATOM 499 OD1 ASP A 951 9.370 4.022 -12.005 1.00 0.00 O ATOM 500 OD2 ASP A 951 9.740 5.173 -10.196 1.00 0.00 O ATOM 0 H ASP A 951 6.452 6.883 -10.500 1.00 0.00 H new ATOM 0 HA ASP A 951 6.705 4.627 -12.408 1.00 0.00 H new ATOM 0 HB2 ASP A 951 7.408 4.664 -9.480 1.00 0.00 H new ATOM 0 HB3 ASP A 951 7.311 3.247 -10.506 1.00 0.00 H new ATOM 505 N THR A 952 4.530 3.722 -11.228 1.00 0.00 N ATOM 506 CA THR A 952 3.147 3.512 -10.880 1.00 0.00 C ATOM 507 C THR A 952 3.039 2.813 -9.525 1.00 0.00 C ATOM 508 O THR A 952 2.438 3.345 -8.579 1.00 0.00 O ATOM 509 CB THR A 952 2.448 2.700 -11.984 1.00 0.00 C ATOM 510 OG1 THR A 952 2.675 3.337 -13.258 1.00 0.00 O ATOM 511 CG2 THR A 952 0.949 2.601 -11.721 1.00 0.00 C ATOM 0 H THR A 952 4.976 2.937 -11.703 1.00 0.00 H new ATOM 0 HA THR A 952 2.648 4.477 -10.797 1.00 0.00 H new ATOM 0 HB THR A 952 2.862 1.692 -11.992 1.00 0.00 H new ATOM 0 HG1 THR A 952 2.233 2.822 -13.965 1.00 0.00 H new ATOM 0 HG21 THR A 952 0.478 2.022 -12.515 1.00 0.00 H new ATOM 0 HG22 THR A 952 0.779 2.108 -10.764 1.00 0.00 H new ATOM 0 HG23 THR A 952 0.517 3.601 -11.696 1.00 0.00 H new ATOM 519 N TYR A 953 3.649 1.643 -9.421 1.00 0.00 N ATOM 520 CA TYR A 953 3.617 0.891 -8.185 1.00 0.00 C ATOM 521 C TYR A 953 4.875 1.128 -7.382 1.00 0.00 C ATOM 522 O TYR A 953 5.996 0.976 -7.866 1.00 0.00 O ATOM 523 CB TYR A 953 3.339 -0.589 -8.432 1.00 0.00 C ATOM 524 CG TYR A 953 1.893 -0.795 -8.805 1.00 0.00 C ATOM 525 CD1 TYR A 953 0.909 -0.654 -7.839 1.00 0.00 C ATOM 526 CD2 TYR A 953 1.504 -1.090 -10.104 1.00 0.00 C ATOM 527 CE1 TYR A 953 -0.423 -0.794 -8.152 1.00 0.00 C ATOM 528 CE2 TYR A 953 0.168 -1.242 -10.426 1.00 0.00 C ATOM 529 CZ TYR A 953 -0.792 -1.087 -9.446 1.00 0.00 C ATOM 530 OH TYR A 953 -2.123 -1.219 -9.757 1.00 0.00 O ATOM 0 H TYR A 953 4.170 1.198 -10.177 1.00 0.00 H new ATOM 0 HA TYR A 953 2.783 1.255 -7.584 1.00 0.00 H new ATOM 0 HB2 TYR A 953 3.983 -0.959 -9.229 1.00 0.00 H new ATOM 0 HB3 TYR A 953 3.576 -1.165 -7.537 1.00 0.00 H new ATOM 0 HD1 TYR A 953 1.194 -0.430 -6.822 1.00 0.00 H new ATOM 0 HD2 TYR A 953 2.254 -1.202 -10.873 1.00 0.00 H new ATOM 0 HE1 TYR A 953 -1.176 -0.675 -7.387 1.00 0.00 H new ATOM 0 HE2 TYR A 953 -0.123 -1.481 -11.438 1.00 0.00 H new ATOM 0 HH TYR A 953 -2.217 -1.425 -10.710 1.00 0.00 H new ATOM 540 N THR A 954 4.671 1.499 -6.146 1.00 0.00 N ATOM 541 CA THR A 954 5.731 1.974 -5.283 1.00 0.00 C ATOM 542 C THR A 954 5.498 1.509 -3.858 1.00 0.00 C ATOM 543 O THR A 954 4.409 1.049 -3.521 1.00 0.00 O ATOM 544 CB THR A 954 5.743 3.508 -5.347 1.00 0.00 C ATOM 545 OG1 THR A 954 4.392 3.957 -5.504 1.00 0.00 O ATOM 546 CG2 THR A 954 6.587 4.028 -6.504 1.00 0.00 C ATOM 0 H THR A 954 3.754 1.481 -5.700 1.00 0.00 H new ATOM 0 HA THR A 954 6.691 1.576 -5.612 1.00 0.00 H new ATOM 0 HB THR A 954 6.185 3.891 -4.427 1.00 0.00 H new ATOM 0 HG1 THR A 954 4.227 4.175 -6.445 1.00 0.00 H new ATOM 0 HG21 THR A 954 6.566 5.118 -6.509 1.00 0.00 H new ATOM 0 HG22 THR A 954 7.615 3.686 -6.387 1.00 0.00 H new ATOM 0 HG23 THR A 954 6.185 3.653 -7.445 1.00 0.00 H new ATOM 554 N ASP A 955 6.500 1.640 -3.022 1.00 0.00 N ATOM 555 CA ASP A 955 6.362 1.242 -1.638 1.00 0.00 C ATOM 556 C ASP A 955 6.045 2.505 -0.828 1.00 0.00 C ATOM 557 O ASP A 955 5.843 3.572 -1.416 1.00 0.00 O ATOM 558 CB ASP A 955 7.651 0.547 -1.157 1.00 0.00 C ATOM 559 CG ASP A 955 7.466 -0.249 0.128 1.00 0.00 C ATOM 560 OD1 ASP A 955 7.547 0.327 1.221 1.00 0.00 O ATOM 561 OD2 ASP A 955 7.224 -1.475 0.061 1.00 0.00 O ATOM 0 H ASP A 955 7.415 2.016 -3.271 1.00 0.00 H new ATOM 0 HA ASP A 955 5.555 0.521 -1.508 1.00 0.00 H new ATOM 0 HB2 ASP A 955 8.009 -0.121 -1.941 1.00 0.00 H new ATOM 0 HB3 ASP A 955 8.424 1.299 -1.001 1.00 0.00 H new ATOM 566 N ALA A 956 6.007 2.378 0.486 1.00 0.00 N ATOM 567 CA ALA A 956 5.660 3.455 1.418 1.00 0.00 C ATOM 568 C ALA A 956 6.443 4.755 1.210 1.00 0.00 C ATOM 569 O ALA A 956 5.948 5.833 1.541 1.00 0.00 O ATOM 570 CB ALA A 956 5.850 2.969 2.838 1.00 0.00 C ATOM 0 H ALA A 956 6.222 1.499 0.956 1.00 0.00 H new ATOM 0 HA ALA A 956 4.617 3.702 1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 956 5.593 3.768 3.533 1.00 0.00 H new ATOM 0 HB2 ALA A 956 5.204 2.109 3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 956 6.890 2.679 2.987 1.00 0.00 H new ATOM 576 N ASN A 957 7.640 4.666 0.676 1.00 0.00 N ATOM 577 CA ASN A 957 8.449 5.853 0.405 1.00 0.00 C ATOM 578 C ASN A 957 8.237 6.364 -1.027 1.00 0.00 C ATOM 579 O ASN A 957 8.135 7.571 -1.269 1.00 0.00 O ATOM 580 CB ASN A 957 9.940 5.555 0.649 1.00 0.00 C ATOM 581 CG ASN A 957 10.489 4.423 -0.214 1.00 0.00 C ATOM 582 OD1 ASN A 957 9.771 3.486 -0.586 1.00 0.00 O ATOM 583 ND2 ASN A 957 11.753 4.501 -0.564 1.00 0.00 N ATOM 0 H ASN A 957 8.084 3.785 0.417 1.00 0.00 H new ATOM 0 HA ASN A 957 8.127 6.636 1.091 1.00 0.00 H new ATOM 0 HB2 ASN A 957 10.518 6.459 0.457 1.00 0.00 H new ATOM 0 HB3 ASN A 957 10.083 5.301 1.699 1.00 0.00 H new ATOM 0 HD21 ASN A 957 12.164 3.779 -1.156 1.00 0.00 H new ATOM 0 HD22 ASN A 957 12.323 5.284 -0.244 1.00 0.00 H new ATOM 590 N GLY A 958 8.091 5.441 -1.956 1.00 0.00 N ATOM 591 CA GLY A 958 8.020 5.778 -3.361 1.00 0.00 C ATOM 592 C GLY A 958 9.253 5.306 -4.039 1.00 0.00 C ATOM 593 O GLY A 958 9.942 6.057 -4.733 1.00 0.00 O ATOM 0 H GLY A 958 8.019 4.443 -1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 958 7.142 5.317 -3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 958 7.913 6.856 -3.484 1.00 0.00 H new ATOM 597 N ASP A 959 9.526 4.060 -3.824 1.00 0.00 N ATOM 598 CA ASP A 959 10.625 3.412 -4.445 1.00 0.00 C ATOM 599 C ASP A 959 9.931 2.313 -5.175 1.00 0.00 C ATOM 600 O ASP A 959 9.311 1.457 -4.537 1.00 0.00 O ATOM 601 CB ASP A 959 11.627 2.861 -3.424 1.00 0.00 C ATOM 602 CG ASP A 959 12.888 2.329 -4.073 1.00 0.00 C ATOM 603 OD1 ASP A 959 12.929 1.138 -4.435 1.00 0.00 O ATOM 604 OD2 ASP A 959 13.856 3.114 -4.232 1.00 0.00 O ATOM 0 H ASP A 959 8.983 3.460 -3.204 1.00 0.00 H new ATOM 0 HA ASP A 959 11.226 4.068 -5.074 1.00 0.00 H new ATOM 0 HB2 ASP A 959 11.891 3.649 -2.718 1.00 0.00 H new ATOM 0 HB3 ASP A 959 11.154 2.064 -2.850 1.00 0.00 H new ATOM 609 N LYS A 960 9.857 2.482 -6.477 1.00 0.00 N ATOM 610 CA LYS A 960 9.148 1.542 -7.359 1.00 0.00 C ATOM 611 C LYS A 960 9.454 0.090 -7.019 1.00 0.00 C ATOM 612 O LYS A 960 10.601 -0.359 -7.046 1.00 0.00 O ATOM 613 CB LYS A 960 9.513 1.756 -8.828 1.00 0.00 C ATOM 614 CG LYS A 960 8.764 0.811 -9.763 1.00 0.00 C ATOM 615 CD LYS A 960 9.305 0.833 -11.181 1.00 0.00 C ATOM 616 CE LYS A 960 10.753 0.369 -11.235 1.00 0.00 C ATOM 617 NZ LYS A 960 11.269 0.328 -12.621 1.00 0.00 N ATOM 0 H LYS A 960 10.282 3.270 -6.967 1.00 0.00 H new ATOM 0 HA LYS A 960 8.089 1.743 -7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 960 9.293 2.787 -9.107 1.00 0.00 H new ATOM 0 HB3 LYS A 960 10.586 1.613 -8.956 1.00 0.00 H new ATOM 0 HG2 LYS A 960 8.826 -0.204 -9.371 1.00 0.00 H new ATOM 0 HG3 LYS A 960 7.709 1.083 -9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 960 8.693 0.191 -11.815 1.00 0.00 H new ATOM 0 HD3 LYS A 960 9.231 1.843 -11.584 1.00 0.00 H new ATOM 0 HE2 LYS A 960 11.371 1.039 -10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 960 10.833 -0.622 -10.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 960 12.258 0.007 -12.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 960 10.695 -0.331 -13.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 960 11.217 1.279 -13.039 1.00 0.00 H new ATOM 631 N ALA A 961 8.381 -0.621 -6.764 1.00 0.00 N ATOM 632 CA ALA A 961 8.424 -1.995 -6.327 1.00 0.00 C ATOM 633 C ALA A 961 7.651 -2.848 -7.311 1.00 0.00 C ATOM 634 O ALA A 961 7.213 -2.345 -8.355 1.00 0.00 O ATOM 635 CB ALA A 961 7.831 -2.104 -4.928 1.00 0.00 C ATOM 0 H ALA A 961 7.435 -0.252 -6.857 1.00 0.00 H new ATOM 0 HA ALA A 961 9.455 -2.347 -6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 961 7.864 -3.143 -4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 961 8.408 -1.487 -4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 961 6.796 -1.761 -4.944 1.00 0.00 H new ATOM 641 N ALA A 962 7.500 -4.121 -7.011 1.00 0.00 N ATOM 642 CA ALA A 962 6.723 -4.999 -7.853 1.00 0.00 C ATOM 643 C ALA A 962 5.246 -4.665 -7.709 1.00 0.00 C ATOM 644 O ALA A 962 4.795 -4.236 -6.645 1.00 0.00 O ATOM 645 CB ALA A 962 6.989 -6.453 -7.495 1.00 0.00 C ATOM 0 H ALA A 962 7.906 -4.569 -6.189 1.00 0.00 H new ATOM 0 HA ALA A 962 7.016 -4.853 -8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 962 6.395 -7.101 -8.140 1.00 0.00 H new ATOM 0 HB2 ALA A 962 8.047 -6.674 -7.634 1.00 0.00 H new ATOM 0 HB3 ALA A 962 6.716 -6.627 -6.454 1.00 0.00 H new ATOM 651 N SER A 963 4.504 -4.849 -8.776 1.00 0.00 N ATOM 652 CA SER A 963 3.086 -4.566 -8.785 1.00 0.00 C ATOM 653 C SER A 963 2.367 -5.685 -8.022 1.00 0.00 C ATOM 654 O SER A 963 2.933 -6.763 -7.877 1.00 0.00 O ATOM 655 CB SER A 963 2.628 -4.503 -10.240 1.00 0.00 C ATOM 656 OG SER A 963 3.565 -3.773 -11.022 1.00 0.00 O ATOM 0 H SER A 963 4.866 -5.199 -9.663 1.00 0.00 H new ATOM 0 HA SER A 963 2.858 -3.616 -8.302 1.00 0.00 H new ATOM 0 HB2 SER A 963 2.520 -5.512 -10.638 1.00 0.00 H new ATOM 0 HB3 SER A 963 1.648 -4.030 -10.300 1.00 0.00 H new ATOM 0 HG SER A 963 4.297 -4.366 -11.294 1.00 0.00 H new ATOM 662 N PRO A 964 1.137 -5.461 -7.516 1.00 0.00 N ATOM 663 CA PRO A 964 0.386 -6.478 -6.751 1.00 0.00 C ATOM 664 C PRO A 964 0.206 -7.819 -7.482 1.00 0.00 C ATOM 665 O PRO A 964 -0.049 -8.844 -6.850 1.00 0.00 O ATOM 666 CB PRO A 964 -0.972 -5.840 -6.507 1.00 0.00 C ATOM 667 CG PRO A 964 -0.793 -4.378 -6.718 1.00 0.00 C ATOM 668 CD PRO A 964 0.405 -4.189 -7.607 1.00 0.00 C ATOM 0 HA PRO A 964 0.933 -6.735 -5.844 1.00 0.00 H new ATOM 0 HB2 PRO A 964 -1.719 -6.243 -7.191 1.00 0.00 H new ATOM 0 HB3 PRO A 964 -1.322 -6.046 -5.496 1.00 0.00 H new ATOM 0 HG2 PRO A 964 -1.682 -3.946 -7.177 1.00 0.00 H new ATOM 0 HG3 PRO A 964 -0.647 -3.869 -5.765 1.00 0.00 H new ATOM 0 HD2 PRO A 964 0.107 -3.975 -8.634 1.00 0.00 H new ATOM 0 HD3 PRO A 964 1.019 -3.353 -7.272 1.00 0.00 H new ATOM 676 N SER A 965 0.319 -7.811 -8.797 1.00 0.00 N ATOM 677 CA SER A 965 0.273 -9.027 -9.587 1.00 0.00 C ATOM 678 C SER A 965 1.590 -9.791 -9.418 1.00 0.00 C ATOM 679 O SER A 965 1.613 -10.995 -9.139 1.00 0.00 O ATOM 680 CB SER A 965 0.037 -8.629 -11.038 1.00 0.00 C ATOM 681 OG SER A 965 0.860 -7.517 -11.373 1.00 0.00 O ATOM 0 H SER A 965 0.445 -6.962 -9.347 1.00 0.00 H new ATOM 0 HA SER A 965 -0.533 -9.684 -9.261 1.00 0.00 H new ATOM 0 HB2 SER A 965 0.260 -9.469 -11.696 1.00 0.00 H new ATOM 0 HB3 SER A 965 -1.012 -8.375 -11.189 1.00 0.00 H new ATOM 0 HG SER A 965 0.706 -7.266 -12.308 1.00 0.00 H new ATOM 687 N GLU A 966 2.674 -9.052 -9.590 1.00 0.00 N ATOM 688 CA GLU A 966 4.035 -9.548 -9.422 1.00 0.00 C ATOM 689 C GLU A 966 4.294 -9.933 -7.961 1.00 0.00 C ATOM 690 O GLU A 966 5.115 -10.804 -7.672 1.00 0.00 O ATOM 691 CB GLU A 966 5.026 -8.466 -9.855 1.00 0.00 C ATOM 692 CG GLU A 966 4.739 -7.889 -11.231 1.00 0.00 C ATOM 693 CD GLU A 966 5.699 -6.787 -11.612 1.00 0.00 C ATOM 694 OE1 GLU A 966 5.548 -5.651 -11.119 1.00 0.00 O ATOM 695 OE2 GLU A 966 6.620 -7.039 -12.421 1.00 0.00 O ATOM 0 H GLU A 966 2.634 -8.068 -9.856 1.00 0.00 H new ATOM 0 HA GLU A 966 4.165 -10.436 -10.041 1.00 0.00 H new ATOM 0 HB2 GLU A 966 5.012 -7.659 -9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 966 6.032 -8.884 -9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 966 4.793 -8.685 -11.973 1.00 0.00 H new ATOM 0 HG3 GLU A 966 3.720 -7.502 -11.253 1.00 0.00 H new ATOM 702 N LEU A 967 3.620 -9.251 -7.051 1.00 0.00 N ATOM 703 CA LEU A 967 3.694 -9.531 -5.631 1.00 0.00 C ATOM 704 C LEU A 967 3.061 -10.886 -5.345 1.00 0.00 C ATOM 705 O LEU A 967 1.849 -11.066 -5.482 1.00 0.00 O ATOM 706 CB LEU A 967 3.014 -8.391 -4.863 1.00 0.00 C ATOM 707 CG LEU A 967 3.802 -7.076 -4.837 1.00 0.00 C ATOM 708 CD1 LEU A 967 3.012 -5.977 -4.156 1.00 0.00 C ATOM 709 CD2 LEU A 967 5.139 -7.260 -4.138 1.00 0.00 C ATOM 0 H LEU A 967 2.998 -8.477 -7.283 1.00 0.00 H new ATOM 0 HA LEU A 967 4.731 -9.584 -5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 967 2.036 -8.204 -5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 967 2.841 -8.715 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 967 3.982 -6.782 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 967 3.597 -5.057 -4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 967 2.079 -5.812 -4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 967 2.791 -6.270 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 967 5.680 -6.314 -4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 967 4.971 -7.588 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 967 5.726 -8.010 -4.668 1.00 0.00 H new ATOM 721 N THR A 968 3.892 -11.832 -4.957 1.00 0.00 N ATOM 722 CA THR A 968 3.462 -13.205 -4.820 1.00 0.00 C ATOM 723 C THR A 968 3.542 -13.742 -3.393 1.00 0.00 C ATOM 724 O THR A 968 4.096 -13.109 -2.479 1.00 0.00 O ATOM 725 CB THR A 968 4.246 -14.128 -5.779 1.00 0.00 C ATOM 726 OG1 THR A 968 5.660 -13.878 -5.705 1.00 0.00 O ATOM 727 CG2 THR A 968 3.780 -13.947 -7.209 1.00 0.00 C ATOM 0 H THR A 968 4.874 -11.672 -4.730 1.00 0.00 H new ATOM 0 HA THR A 968 2.406 -13.206 -5.090 1.00 0.00 H new ATOM 0 HB THR A 968 4.052 -15.154 -5.466 1.00 0.00 H new ATOM 0 HG1 THR A 968 6.131 -14.477 -6.321 1.00 0.00 H new ATOM 0 HG21 THR A 968 4.348 -14.608 -7.863 1.00 0.00 H new ATOM 0 HG22 THR A 968 2.720 -14.190 -7.280 1.00 0.00 H new ATOM 0 HG23 THR A 968 3.936 -12.912 -7.514 1.00 0.00 H new ATOM 735 N CYS A 969 2.939 -14.898 -3.202 1.00 0.00 N ATOM 736 CA CYS A 969 2.989 -15.596 -1.944 1.00 0.00 C ATOM 737 C CYS A 969 4.085 -16.662 -1.970 1.00 0.00 C ATOM 738 O CYS A 969 4.098 -17.538 -2.838 1.00 0.00 O ATOM 739 CB CYS A 969 1.633 -16.215 -1.639 1.00 0.00 C ATOM 740 SG CYS A 969 0.915 -17.125 -3.026 1.00 0.00 S ATOM 0 H CYS A 969 2.399 -15.378 -3.922 1.00 0.00 H new ATOM 0 HA CYS A 969 3.229 -14.886 -1.152 1.00 0.00 H new ATOM 0 HB2 CYS A 969 1.735 -16.889 -0.789 1.00 0.00 H new ATOM 0 HB3 CYS A 969 0.944 -15.426 -1.339 1.00 0.00 H new ATOM 0 HG CYS A 969 -0.235 -17.617 -2.673 1.00 0.00 H new ATOM 746 N PRO A 970 5.034 -16.562 -1.039 1.00 0.00 N ATOM 747 CA PRO A 970 6.144 -17.508 -0.898 1.00 0.00 C ATOM 748 C PRO A 970 5.718 -18.749 -0.100 1.00 0.00 C ATOM 749 O PRO A 970 4.578 -18.805 0.389 1.00 0.00 O ATOM 750 CB PRO A 970 7.139 -16.672 -0.096 1.00 0.00 C ATOM 751 CG PRO A 970 6.263 -15.920 0.824 1.00 0.00 C ATOM 752 CD PRO A 970 5.105 -15.507 -0.023 1.00 0.00 C ATOM 0 HA PRO A 970 6.526 -17.892 -1.844 1.00 0.00 H new ATOM 0 HB2 PRO A 970 7.851 -17.297 0.443 1.00 0.00 H new ATOM 0 HB3 PRO A 970 7.719 -16.008 -0.737 1.00 0.00 H new ATOM 0 HG2 PRO A 970 5.942 -16.539 1.662 1.00 0.00 H new ATOM 0 HG3 PRO A 970 6.777 -15.055 1.244 1.00 0.00 H new ATOM 0 HD2 PRO A 970 4.184 -15.445 0.557 1.00 0.00 H new ATOM 0 HD3 PRO A 970 5.265 -14.527 -0.472 1.00 0.00 H new ATOM 760 N PRO A 971 6.602 -19.760 0.041 1.00 0.00 N ATOM 761 CA PRO A 971 6.307 -20.945 0.845 1.00 0.00 C ATOM 762 C PRO A 971 6.027 -20.583 2.297 1.00 0.00 C ATOM 763 O PRO A 971 6.913 -20.118 3.022 1.00 0.00 O ATOM 764 CB PRO A 971 7.579 -21.793 0.753 1.00 0.00 C ATOM 765 CG PRO A 971 8.303 -21.290 -0.443 1.00 0.00 C ATOM 766 CD PRO A 971 7.934 -19.844 -0.586 1.00 0.00 C ATOM 0 HA PRO A 971 5.418 -21.463 0.485 1.00 0.00 H new ATOM 0 HB2 PRO A 971 8.186 -21.689 1.652 1.00 0.00 H new ATOM 0 HB3 PRO A 971 7.339 -22.851 0.651 1.00 0.00 H new ATOM 0 HG2 PRO A 971 9.380 -21.405 -0.322 1.00 0.00 H new ATOM 0 HG3 PRO A 971 8.020 -21.853 -1.333 1.00 0.00 H new ATOM 0 HD2 PRO A 971 8.654 -19.196 -0.086 1.00 0.00 H new ATOM 0 HD3 PRO A 971 7.904 -19.540 -1.632 1.00 0.00 H new ATOM 774 N GLY A 972 4.785 -20.749 2.701 1.00 0.00 N ATOM 775 CA GLY A 972 4.406 -20.467 4.052 1.00 0.00 C ATOM 776 C GLY A 972 3.558 -19.230 4.175 1.00 0.00 C ATOM 777 O GLY A 972 3.099 -18.910 5.257 1.00 0.00 O ATOM 0 H GLY A 972 4.026 -21.079 2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 972 3.859 -21.319 4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 972 5.304 -20.348 4.659 1.00 0.00 H new ATOM 781 N TRP A 973 3.329 -18.530 3.080 1.00 0.00 N ATOM 782 CA TRP A 973 2.546 -17.320 3.155 1.00 0.00 C ATOM 783 C TRP A 973 1.304 -17.374 2.292 1.00 0.00 C ATOM 784 O TRP A 973 1.352 -17.571 1.086 1.00 0.00 O ATOM 785 CB TRP A 973 3.404 -16.090 2.926 1.00 0.00 C ATOM 786 CG TRP A 973 4.320 -15.844 4.081 1.00 0.00 C ATOM 787 CD1 TRP A 973 5.632 -16.181 4.156 1.00 0.00 C ATOM 788 CD2 TRP A 973 3.977 -15.279 5.351 1.00 0.00 C ATOM 789 NE1 TRP A 973 6.144 -15.812 5.374 1.00 0.00 N ATOM 790 CE2 TRP A 973 5.146 -15.262 6.129 1.00 0.00 C ATOM 791 CE3 TRP A 973 2.802 -14.771 5.900 1.00 0.00 C ATOM 792 CZ2 TRP A 973 5.172 -14.758 7.426 1.00 0.00 C ATOM 793 CZ3 TRP A 973 2.821 -14.282 7.192 1.00 0.00 C ATOM 794 CH2 TRP A 973 4.001 -14.280 7.942 1.00 0.00 C ATOM 0 H TRP A 973 3.667 -18.774 2.149 1.00 0.00 H new ATOM 0 HA TRP A 973 2.167 -17.237 4.174 1.00 0.00 H new ATOM 0 HB2 TRP A 973 3.990 -16.217 2.015 1.00 0.00 H new ATOM 0 HB3 TRP A 973 2.764 -15.221 2.775 1.00 0.00 H new ATOM 0 HD1 TRP A 973 6.192 -16.669 3.371 1.00 0.00 H new ATOM 0 HE1 TRP A 973 7.113 -15.929 5.669 1.00 0.00 H new ATOM 0 HE3 TRP A 973 1.889 -14.760 5.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 973 6.085 -14.745 8.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 973 1.912 -13.896 7.629 1.00 0.00 H new ATOM 0 HH2 TRP A 973 3.986 -13.893 8.950 1.00 0.00 H new ATOM 805 N GLU A 974 0.204 -17.179 2.974 1.00 0.00 N ATOM 806 CA GLU A 974 -1.156 -17.320 2.493 1.00 0.00 C ATOM 807 C GLU A 974 -1.838 -15.965 2.332 1.00 0.00 C ATOM 808 O GLU A 974 -1.870 -15.168 3.270 1.00 0.00 O ATOM 809 CB GLU A 974 -1.912 -18.140 3.541 1.00 0.00 C ATOM 810 CG GLU A 974 -3.414 -18.230 3.350 1.00 0.00 C ATOM 811 CD GLU A 974 -3.807 -18.919 2.061 1.00 0.00 C ATOM 812 OE1 GLU A 974 -3.772 -18.284 0.990 1.00 0.00 O ATOM 813 OE2 GLU A 974 -4.158 -20.110 2.098 1.00 0.00 O ATOM 0 H GLU A 974 0.233 -16.896 3.954 1.00 0.00 H new ATOM 0 HA GLU A 974 -1.153 -17.802 1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 974 -1.504 -19.151 3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 974 -1.715 -17.710 4.523 1.00 0.00 H new ATOM 0 HG2 GLU A 974 -3.850 -18.769 4.191 1.00 0.00 H new ATOM 0 HG3 GLU A 974 -3.837 -17.225 3.362 1.00 0.00 H new ATOM 820 N TRP A 975 -2.312 -15.689 1.136 1.00 0.00 N ATOM 821 CA TRP A 975 -3.130 -14.506 0.895 1.00 0.00 C ATOM 822 C TRP A 975 -4.572 -14.715 1.349 1.00 0.00 C ATOM 823 O TRP A 975 -5.341 -15.427 0.688 1.00 0.00 O ATOM 824 CB TRP A 975 -3.181 -14.126 -0.579 1.00 0.00 C ATOM 825 CG TRP A 975 -1.906 -13.682 -1.201 1.00 0.00 C ATOM 826 CD1 TRP A 975 -1.357 -14.174 -2.338 1.00 0.00 C ATOM 827 CD2 TRP A 975 -1.038 -12.638 -0.751 1.00 0.00 C ATOM 828 NE1 TRP A 975 -0.221 -13.485 -2.647 1.00 0.00 N ATOM 829 CE2 TRP A 975 0.005 -12.537 -1.685 1.00 0.00 C ATOM 830 CE3 TRP A 975 -1.046 -11.772 0.343 1.00 0.00 C ATOM 831 CZ2 TRP A 975 1.027 -11.603 -1.561 1.00 0.00 C ATOM 832 CZ3 TRP A 975 -0.032 -10.845 0.465 1.00 0.00 C ATOM 833 CH2 TRP A 975 0.990 -10.766 -0.484 1.00 0.00 C ATOM 0 H TRP A 975 -2.148 -16.265 0.310 1.00 0.00 H new ATOM 0 HA TRP A 975 -2.655 -13.711 1.470 1.00 0.00 H new ATOM 0 HB2 TRP A 975 -3.551 -14.985 -1.139 1.00 0.00 H new ATOM 0 HB3 TRP A 975 -3.914 -13.328 -0.699 1.00 0.00 H new ATOM 0 HD1 TRP A 975 -1.760 -14.993 -2.916 1.00 0.00 H new ATOM 0 HE1 TRP A 975 0.367 -13.650 -3.464 1.00 0.00 H new ATOM 0 HE3 TRP A 975 -1.832 -11.827 1.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 975 1.821 -11.542 -2.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 975 -0.028 -10.169 1.308 1.00 0.00 H new ATOM 0 HH2 TRP A 975 1.768 -10.026 -0.363 1.00 0.00 H new ATOM 844 N GLU A 976 -4.942 -14.103 2.462 1.00 0.00 N ATOM 845 CA GLU A 976 -6.327 -14.150 2.927 1.00 0.00 C ATOM 846 C GLU A 976 -7.184 -13.268 2.057 1.00 0.00 C ATOM 847 O GLU A 976 -8.297 -13.630 1.668 1.00 0.00 O ATOM 848 CB GLU A 976 -6.459 -13.631 4.336 1.00 0.00 C ATOM 849 CG GLU A 976 -5.606 -14.362 5.310 1.00 0.00 C ATOM 850 CD GLU A 976 -5.804 -13.830 6.688 1.00 0.00 C ATOM 851 OE1 GLU A 976 -6.732 -14.281 7.393 1.00 0.00 O ATOM 852 OE2 GLU A 976 -5.042 -12.943 7.091 1.00 0.00 O ATOM 0 H GLU A 976 -4.311 -13.570 3.060 1.00 0.00 H new ATOM 0 HA GLU A 976 -6.642 -15.193 2.885 1.00 0.00 H new ATOM 0 HB2 GLU A 976 -6.195 -12.574 4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 976 -7.501 -13.705 4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 976 -5.848 -15.425 5.287 1.00 0.00 H new ATOM 0 HG3 GLU A 976 -4.558 -14.268 5.026 1.00 0.00 H new ATOM 859 N ASP A 977 -6.653 -12.090 1.776 1.00 0.00 N ATOM 860 CA ASP A 977 -7.360 -11.122 0.966 1.00 0.00 C ATOM 861 C ASP A 977 -7.520 -11.633 -0.451 1.00 0.00 C ATOM 862 O ASP A 977 -6.640 -12.333 -0.956 1.00 0.00 O ATOM 863 CB ASP A 977 -6.670 -9.754 0.950 1.00 0.00 C ATOM 864 CG ASP A 977 -7.166 -8.815 2.028 1.00 0.00 C ATOM 865 OD1 ASP A 977 -8.275 -8.271 1.873 1.00 0.00 O ATOM 866 OD2 ASP A 977 -6.445 -8.564 3.011 1.00 0.00 O ATOM 0 H ASP A 977 -5.735 -11.784 2.098 1.00 0.00 H new ATOM 0 HA ASP A 977 -8.342 -10.988 1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -5.596 -9.896 1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -6.824 -9.290 -0.024 1.00 0.00 H new ATOM 871 N ASP A 978 -8.625 -11.288 -1.081 1.00 0.00 N ATOM 872 CA ASP A 978 -8.907 -11.725 -2.446 1.00 0.00 C ATOM 873 C ASP A 978 -8.096 -10.925 -3.447 1.00 0.00 C ATOM 874 O ASP A 978 -7.655 -11.448 -4.468 1.00 0.00 O ATOM 875 CB ASP A 978 -10.399 -11.597 -2.773 1.00 0.00 C ATOM 876 CG ASP A 978 -10.707 -11.904 -4.233 1.00 0.00 C ATOM 877 OD1 ASP A 978 -10.517 -13.057 -4.674 1.00 0.00 O ATOM 878 OD2 ASP A 978 -11.131 -10.995 -4.974 1.00 0.00 O ATOM 0 H ASP A 978 -9.352 -10.702 -0.671 1.00 0.00 H new ATOM 0 HA ASP A 978 -8.624 -12.775 -2.516 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -10.966 -12.275 -2.135 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -10.733 -10.586 -2.540 1.00 0.00 H new ATOM 883 N ALA A 979 -7.839 -9.674 -3.119 1.00 0.00 N ATOM 884 CA ALA A 979 -7.139 -8.783 -4.018 1.00 0.00 C ATOM 885 C ALA A 979 -6.639 -7.592 -3.249 1.00 0.00 C ATOM 886 O ALA A 979 -7.159 -7.273 -2.175 1.00 0.00 O ATOM 887 CB ALA A 979 -8.051 -8.322 -5.145 1.00 0.00 C ATOM 0 H ALA A 979 -8.107 -9.251 -2.230 1.00 0.00 H new ATOM 0 HA ALA A 979 -6.298 -9.320 -4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 979 -7.501 -7.653 -5.807 1.00 0.00 H new ATOM 0 HB2 ALA A 979 -8.398 -9.188 -5.710 1.00 0.00 H new ATOM 0 HB3 ALA A 979 -8.908 -7.795 -4.727 1.00 0.00 H new ATOM 893 N TRP A 980 -5.627 -6.956 -3.788 1.00 0.00 N ATOM 894 CA TRP A 980 -5.087 -5.769 -3.173 1.00 0.00 C ATOM 895 C TRP A 980 -6.096 -4.673 -3.413 1.00 0.00 C ATOM 896 O TRP A 980 -6.339 -4.281 -4.551 1.00 0.00 O ATOM 897 CB TRP A 980 -3.731 -5.383 -3.752 1.00 0.00 C ATOM 898 CG TRP A 980 -2.708 -6.476 -3.692 1.00 0.00 C ATOM 899 CD1 TRP A 980 -2.705 -7.644 -4.397 1.00 0.00 C ATOM 900 CD2 TRP A 980 -1.510 -6.478 -2.913 1.00 0.00 C ATOM 901 NE1 TRP A 980 -1.603 -8.387 -4.074 1.00 0.00 N ATOM 902 CE2 TRP A 980 -0.843 -7.688 -3.180 1.00 0.00 C ATOM 903 CE3 TRP A 980 -0.939 -5.578 -2.009 1.00 0.00 C ATOM 904 CZ2 TRP A 980 0.363 -8.021 -2.581 1.00 0.00 C ATOM 905 CZ3 TRP A 980 0.260 -5.910 -1.416 1.00 0.00 C ATOM 906 CH2 TRP A 980 0.901 -7.122 -1.705 1.00 0.00 C ATOM 0 H TRP A 980 -5.162 -7.240 -4.650 1.00 0.00 H new ATOM 0 HA TRP A 980 -4.918 -5.941 -2.110 1.00 0.00 H new ATOM 0 HB2 TRP A 980 -3.864 -5.081 -4.791 1.00 0.00 H new ATOM 0 HB3 TRP A 980 -3.352 -4.515 -3.213 1.00 0.00 H new ATOM 0 HD1 TRP A 980 -3.463 -7.939 -5.107 1.00 0.00 H new ATOM 0 HE1 TRP A 980 -1.384 -9.313 -4.441 1.00 0.00 H new ATOM 0 HE3 TRP A 980 -1.427 -4.642 -1.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 980 0.858 -8.956 -2.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 980 0.714 -5.224 -0.716 1.00 0.00 H new ATOM 0 HH2 TRP A 980 1.841 -7.350 -1.225 1.00 0.00 H new ATOM 917 N SER A 981 -6.704 -4.210 -2.359 1.00 0.00 N ATOM 918 CA SER A 981 -7.796 -3.270 -2.473 1.00 0.00 C ATOM 919 C SER A 981 -7.397 -2.016 -1.731 1.00 0.00 C ATOM 920 O SER A 981 -6.664 -2.106 -0.766 1.00 0.00 O ATOM 921 CB SER A 981 -9.051 -3.892 -1.865 1.00 0.00 C ATOM 922 OG SER A 981 -9.303 -5.166 -2.446 1.00 0.00 O ATOM 0 H SER A 981 -6.464 -4.467 -1.401 1.00 0.00 H new ATOM 0 HA SER A 981 -8.009 -3.025 -3.514 1.00 0.00 H new ATOM 0 HB2 SER A 981 -8.928 -3.995 -0.787 1.00 0.00 H new ATOM 0 HB3 SER A 981 -9.906 -3.235 -2.028 1.00 0.00 H new ATOM 0 HG SER A 981 -8.613 -5.799 -2.157 1.00 0.00 H new ATOM 928 N TYR A 982 -7.876 -0.868 -2.136 1.00 0.00 N ATOM 929 CA TYR A 982 -7.438 0.359 -1.504 1.00 0.00 C ATOM 930 C TYR A 982 -8.058 0.506 -0.136 1.00 0.00 C ATOM 931 O TYR A 982 -9.283 0.437 0.034 1.00 0.00 O ATOM 932 CB TYR A 982 -7.628 1.590 -2.400 1.00 0.00 C ATOM 933 CG TYR A 982 -8.789 1.532 -3.364 1.00 0.00 C ATOM 934 CD1 TYR A 982 -8.713 0.731 -4.494 1.00 0.00 C ATOM 935 CD2 TYR A 982 -9.926 2.297 -3.174 1.00 0.00 C ATOM 936 CE1 TYR A 982 -9.744 0.687 -5.409 1.00 0.00 C ATOM 937 CE2 TYR A 982 -10.961 2.272 -4.090 1.00 0.00 C ATOM 938 CZ TYR A 982 -10.863 1.465 -5.204 1.00 0.00 C ATOM 939 OH TYR A 982 -11.880 1.456 -6.132 1.00 0.00 O ATOM 0 H TYR A 982 -8.557 -0.752 -2.886 1.00 0.00 H new ATOM 0 HA TYR A 982 -6.360 0.292 -1.357 1.00 0.00 H new ATOM 0 HB2 TYR A 982 -7.755 2.464 -1.761 1.00 0.00 H new ATOM 0 HB3 TYR A 982 -6.713 1.743 -2.972 1.00 0.00 H new ATOM 0 HD1 TYR A 982 -7.831 0.131 -4.660 1.00 0.00 H new ATOM 0 HD2 TYR A 982 -10.006 2.923 -2.297 1.00 0.00 H new ATOM 0 HE1 TYR A 982 -9.675 0.049 -6.278 1.00 0.00 H new ATOM 0 HE2 TYR A 982 -11.840 2.880 -3.934 1.00 0.00 H new ATOM 0 HH TYR A 982 -12.596 2.057 -5.838 1.00 0.00 H new ATOM 949 N ASP A 983 -7.174 0.713 0.824 1.00 0.00 N ATOM 950 CA ASP A 983 -7.491 0.625 2.239 1.00 0.00 C ATOM 951 C ASP A 983 -8.100 1.910 2.738 1.00 0.00 C ATOM 952 O ASP A 983 -7.723 2.986 2.294 1.00 0.00 O ATOM 953 CB ASP A 983 -6.216 0.336 3.029 1.00 0.00 C ATOM 954 CG ASP A 983 -6.449 0.186 4.518 1.00 0.00 C ATOM 955 OD1 ASP A 983 -6.792 -0.927 4.966 1.00 0.00 O ATOM 956 OD2 ASP A 983 -6.272 1.159 5.274 1.00 0.00 O ATOM 0 H ASP A 983 -6.199 0.951 0.639 1.00 0.00 H new ATOM 0 HA ASP A 983 -8.212 -0.180 2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 983 -5.760 -0.577 2.647 1.00 0.00 H new ATOM 0 HB3 ASP A 983 -5.503 1.143 2.860 1.00 0.00 H new ATOM 961 N ILE A 984 -9.054 1.779 3.638 1.00 0.00 N ATOM 962 CA ILE A 984 -9.685 2.920 4.272 1.00 0.00 C ATOM 963 C ILE A 984 -9.766 2.684 5.764 1.00 0.00 C ATOM 964 O ILE A 984 -10.537 3.318 6.482 1.00 0.00 O ATOM 965 CB ILE A 984 -11.089 3.212 3.689 1.00 0.00 C ATOM 966 CG1 ILE A 984 -11.961 1.944 3.699 1.00 0.00 C ATOM 967 CG2 ILE A 984 -10.973 3.789 2.290 1.00 0.00 C ATOM 968 CD1 ILE A 984 -13.350 2.137 3.120 1.00 0.00 C ATOM 0 H ILE A 984 -9.414 0.877 3.951 1.00 0.00 H new ATOM 0 HA ILE A 984 -9.073 3.799 4.071 1.00 0.00 H new ATOM 0 HB ILE A 984 -11.578 3.954 4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -11.451 1.162 3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -12.054 1.589 4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -11.969 3.988 1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -10.404 4.718 2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -10.462 3.075 1.643 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -13.897 1.195 3.165 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -13.882 2.894 3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -13.270 2.460 2.082 1.00 0.00 H new ATOM 980 N ASN A 985 -8.882 1.826 6.233 1.00 0.00 N ATOM 981 CA ASN A 985 -8.784 1.494 7.645 1.00 0.00 C ATOM 982 C ASN A 985 -7.686 2.376 8.239 1.00 0.00 C ATOM 983 O ASN A 985 -7.240 2.199 9.370 1.00 0.00 O ATOM 984 CB ASN A 985 -8.439 -0.001 7.798 1.00 0.00 C ATOM 985 CG ASN A 985 -8.510 -0.530 9.224 1.00 0.00 C ATOM 986 OD1 ASN A 985 -7.733 -1.402 9.606 1.00 0.00 O ATOM 987 ND2 ASN A 985 -9.484 -0.087 9.999 1.00 0.00 N ATOM 0 H ASN A 985 -8.208 1.336 5.645 1.00 0.00 H new ATOM 0 HA ASN A 985 -9.725 1.671 8.165 1.00 0.00 H new ATOM 0 HB2 ASN A 985 -9.120 -0.582 7.176 1.00 0.00 H new ATOM 0 HB3 ASN A 985 -7.433 -0.169 7.413 1.00 0.00 H new ATOM 0 HD21 ASN A 985 -9.603 -0.470 10.937 1.00 0.00 H new ATOM 0 HD22 ASN A 985 -10.116 0.638 9.659 1.00 0.00 H new ATOM 994 N ARG A 986 -7.316 3.384 7.460 1.00 0.00 N ATOM 995 CA ARG A 986 -6.226 4.304 7.746 1.00 0.00 C ATOM 996 C ARG A 986 -6.733 5.706 7.475 1.00 0.00 C ATOM 997 O ARG A 986 -7.880 5.857 7.029 1.00 0.00 O ATOM 998 CB ARG A 986 -5.023 3.986 6.844 1.00 0.00 C ATOM 999 CG ARG A 986 -3.870 3.300 7.558 1.00 0.00 C ATOM 1000 CD ARG A 986 -4.311 2.068 8.326 1.00 0.00 C ATOM 1001 NE ARG A 986 -4.739 0.953 7.480 1.00 0.00 N ATOM 1002 CZ ARG A 986 -4.578 -0.336 7.807 1.00 0.00 C ATOM 1003 NH1 ARG A 986 -3.860 -0.685 8.872 1.00 0.00 N ATOM 1004 NH2 ARG A 986 -5.134 -1.278 7.063 1.00 0.00 N ATOM 0 H ARG A 986 -7.786 3.590 6.578 1.00 0.00 H new ATOM 0 HA ARG A 986 -5.902 4.211 8.783 1.00 0.00 H new ATOM 0 HB2 ARG A 986 -5.357 3.350 6.024 1.00 0.00 H new ATOM 0 HB3 ARG A 986 -4.660 4.914 6.401 1.00 0.00 H new ATOM 0 HG2 ARG A 986 -3.112 3.017 6.828 1.00 0.00 H new ATOM 0 HG3 ARG A 986 -3.402 4.005 8.246 1.00 0.00 H new ATOM 0 HD2 ARG A 986 -3.488 1.734 8.958 1.00 0.00 H new ATOM 0 HD3 ARG A 986 -5.132 2.342 8.989 1.00 0.00 H new ATOM 0 HE ARG A 986 -5.186 1.170 6.589 1.00 0.00 H new ATOM 0 HH11 ARG A 986 -3.424 0.033 9.451 1.00 0.00 H new ATOM 0 HH12 ARG A 986 -3.746 -1.670 9.109 1.00 0.00 H new ATOM 0 HH21 ARG A 986 -5.684 -1.022 6.243 1.00 0.00 H new ATOM 0 HH22 ARG A 986 -5.013 -2.260 7.310 1.00 0.00 H new ATOM 1018 N ALA A 987 -5.925 6.724 7.716 1.00 0.00 N ATOM 1019 CA ALA A 987 -6.349 8.088 7.465 1.00 0.00 C ATOM 1020 C ALA A 987 -6.027 8.462 6.029 1.00 0.00 C ATOM 1021 O ALA A 987 -4.976 9.029 5.723 1.00 0.00 O ATOM 1022 CB ALA A 987 -5.711 9.060 8.450 1.00 0.00 C ATOM 0 H ALA A 987 -4.978 6.632 8.083 1.00 0.00 H new ATOM 0 HA ALA A 987 -7.427 8.154 7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -6.050 10.073 8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -6.000 8.790 9.466 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -4.626 9.013 8.356 1.00 0.00 H new ATOM 1028 N VAL A 988 -6.915 8.052 5.156 1.00 0.00 N ATOM 1029 CA VAL A 988 -6.799 8.243 3.719 1.00 0.00 C ATOM 1030 C VAL A 988 -8.155 8.638 3.151 1.00 0.00 C ATOM 1031 O VAL A 988 -9.167 8.550 3.859 1.00 0.00 O ATOM 1032 CB VAL A 988 -6.321 6.939 3.036 1.00 0.00 C ATOM 1033 CG1 VAL A 988 -4.865 6.639 3.369 1.00 0.00 C ATOM 1034 CG2 VAL A 988 -7.197 5.773 3.460 1.00 0.00 C ATOM 0 H VAL A 988 -7.766 7.561 5.428 1.00 0.00 H new ATOM 0 HA VAL A 988 -6.070 9.030 3.528 1.00 0.00 H new ATOM 0 HB VAL A 988 -6.401 7.079 1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 988 -4.561 5.717 2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 988 -4.236 7.460 3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 988 -4.754 6.525 4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 988 -6.851 4.862 2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 988 -7.141 5.650 4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 988 -8.229 5.969 3.170 1.00 0.00 H new ATOM 1044 N ASP A 989 -8.168 9.151 1.927 1.00 0.00 N ATOM 1045 CA ASP A 989 -9.412 9.412 1.181 1.00 0.00 C ATOM 1046 C ASP A 989 -10.257 8.133 1.080 1.00 0.00 C ATOM 1047 O ASP A 989 -9.793 7.041 1.418 1.00 0.00 O ATOM 1048 CB ASP A 989 -9.052 9.924 -0.229 1.00 0.00 C ATOM 1049 CG ASP A 989 -10.237 10.191 -1.140 1.00 0.00 C ATOM 1050 OD1 ASP A 989 -10.827 11.288 -1.083 1.00 0.00 O ATOM 1051 OD2 ASP A 989 -10.596 9.293 -1.931 1.00 0.00 O ATOM 0 H ASP A 989 -7.321 9.401 1.416 1.00 0.00 H new ATOM 0 HA ASP A 989 -9.998 10.165 1.707 1.00 0.00 H new ATOM 0 HB2 ASP A 989 -8.476 10.844 -0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 989 -8.402 9.192 -0.709 1.00 0.00 H new ATOM 1056 N GLU A 990 -11.492 8.256 0.617 1.00 0.00 N ATOM 1057 CA GLU A 990 -12.365 7.108 0.423 1.00 0.00 C ATOM 1058 C GLU A 990 -11.764 6.107 -0.528 1.00 0.00 C ATOM 1059 O GLU A 990 -12.005 4.904 -0.422 1.00 0.00 O ATOM 1060 CB GLU A 990 -13.730 7.541 -0.074 1.00 0.00 C ATOM 1061 CG GLU A 990 -14.545 8.159 1.026 1.00 0.00 C ATOM 1062 CD GLU A 990 -15.955 8.464 0.599 1.00 0.00 C ATOM 1063 OE1 GLU A 990 -16.759 7.521 0.474 1.00 0.00 O ATOM 1064 OE2 GLU A 990 -16.297 9.643 0.395 1.00 0.00 O ATOM 0 H GLU A 990 -11.916 9.149 0.366 1.00 0.00 H new ATOM 0 HA GLU A 990 -12.481 6.626 1.394 1.00 0.00 H new ATOM 0 HB2 GLU A 990 -13.612 8.257 -0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 990 -14.260 6.680 -0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 990 -14.566 7.483 1.881 1.00 0.00 H new ATOM 0 HG3 GLU A 990 -14.063 9.078 1.358 1.00 0.00 H new ATOM 1071 N LYS A 991 -10.991 6.594 -1.462 1.00 0.00 N ATOM 1072 CA LYS A 991 -10.361 5.704 -2.387 1.00 0.00 C ATOM 1073 C LYS A 991 -8.912 5.422 -1.973 1.00 0.00 C ATOM 1074 O LYS A 991 -8.133 4.862 -2.747 1.00 0.00 O ATOM 1075 CB LYS A 991 -10.465 6.305 -3.780 1.00 0.00 C ATOM 1076 CG LYS A 991 -11.900 6.667 -4.112 1.00 0.00 C ATOM 1077 CD LYS A 991 -12.015 7.540 -5.338 1.00 0.00 C ATOM 1078 CE LYS A 991 -13.410 8.128 -5.420 1.00 0.00 C ATOM 1079 NZ LYS A 991 -14.451 7.096 -5.661 1.00 0.00 N ATOM 0 H LYS A 991 -10.788 7.584 -1.598 1.00 0.00 H new ATOM 0 HA LYS A 991 -10.866 4.738 -2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 991 -9.838 7.194 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 991 -10.086 5.595 -4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 991 -12.474 5.753 -4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 991 -12.346 7.183 -3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 991 -11.275 8.339 -5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 991 -11.804 6.955 -6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 991 -13.634 8.655 -4.492 1.00 0.00 H new ATOM 0 HE3 LYS A 991 -13.443 8.866 -6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 991 -15.376 7.557 -5.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 991 -14.219 6.564 -6.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 991 -14.487 6.444 -4.852 1.00 0.00 H new ATOM 1093 N GLY A 992 -8.539 5.851 -0.769 1.00 0.00 N ATOM 1094 CA GLY A 992 -7.233 5.550 -0.210 1.00 0.00 C ATOM 1095 C GLY A 992 -6.207 6.612 -0.525 1.00 0.00 C ATOM 1096 O GLY A 992 -5.102 6.584 0.006 1.00 0.00 O ATOM 0 H GLY A 992 -9.133 6.414 -0.160 1.00 0.00 H new ATOM 0 HA2 GLY A 992 -7.321 5.444 0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 992 -6.888 4.591 -0.597 1.00 0.00 H new ATOM 1100 N TRP A 993 -6.552 7.471 -1.470 1.00 0.00 N ATOM 1101 CA TRP A 993 -5.703 8.584 -1.879 1.00 0.00 C ATOM 1102 C TRP A 993 -5.233 9.434 -0.697 1.00 0.00 C ATOM 1103 O TRP A 993 -6.012 9.818 0.179 1.00 0.00 O ATOM 1104 CB TRP A 993 -6.410 9.460 -2.906 1.00 0.00 C ATOM 1105 CG TRP A 993 -6.734 8.755 -4.189 1.00 0.00 C ATOM 1106 CD1 TRP A 993 -7.974 8.469 -4.675 1.00 0.00 C ATOM 1107 CD2 TRP A 993 -5.800 8.245 -5.147 1.00 0.00 C ATOM 1108 NE1 TRP A 993 -7.867 7.828 -5.883 1.00 0.00 N ATOM 1109 CE2 TRP A 993 -6.545 7.688 -6.198 1.00 0.00 C ATOM 1110 CE3 TRP A 993 -4.405 8.214 -5.225 1.00 0.00 C ATOM 1111 CZ2 TRP A 993 -5.943 7.116 -7.314 1.00 0.00 C ATOM 1112 CZ3 TRP A 993 -3.809 7.642 -6.331 1.00 0.00 C ATOM 1113 CH2 TRP A 993 -4.577 7.103 -7.363 1.00 0.00 C ATOM 0 H TRP A 993 -7.434 7.418 -1.980 1.00 0.00 H new ATOM 0 HA TRP A 993 -4.816 8.143 -2.334 1.00 0.00 H new ATOM 0 HB2 TRP A 993 -7.333 9.841 -2.469 1.00 0.00 H new ATOM 0 HB3 TRP A 993 -5.782 10.323 -3.126 1.00 0.00 H new ATOM 0 HD1 TRP A 993 -8.904 8.711 -4.182 1.00 0.00 H new ATOM 0 HE1 TRP A 993 -8.649 7.507 -6.454 1.00 0.00 H new ATOM 0 HE3 TRP A 993 -3.802 8.631 -4.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 993 -6.535 6.697 -8.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 993 -2.732 7.611 -6.398 1.00 0.00 H new ATOM 0 HH2 TRP A 993 -4.082 6.667 -8.218 1.00 0.00 H new ATOM 1124 N GLU A 994 -3.946 9.688 -0.665 1.00 0.00 N ATOM 1125 CA GLU A 994 -3.307 10.488 0.348 1.00 0.00 C ATOM 1126 C GLU A 994 -2.896 11.817 -0.246 1.00 0.00 C ATOM 1127 O GLU A 994 -2.593 11.922 -1.455 1.00 0.00 O ATOM 1128 CB GLU A 994 -2.026 9.831 0.857 1.00 0.00 C ATOM 1129 CG GLU A 994 -2.168 8.386 1.256 1.00 0.00 C ATOM 1130 CD GLU A 994 -0.897 7.832 1.864 1.00 0.00 C ATOM 1131 OE1 GLU A 994 0.049 7.515 1.120 1.00 0.00 O ATOM 1132 OE2 GLU A 994 -0.828 7.691 3.104 1.00 0.00 O ATOM 0 H GLU A 994 -3.296 9.332 -1.366 1.00 0.00 H new ATOM 0 HA GLU A 994 -4.021 10.603 1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 994 -1.264 9.905 0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 994 -1.662 10.395 1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 994 -2.984 8.287 1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 994 -2.438 7.794 0.381 1.00 0.00 H new ATOM 1139 N TYR A 995 -2.786 12.761 0.663 1.00 0.00 N ATOM 1140 CA TYR A 995 -2.453 14.150 0.436 1.00 0.00 C ATOM 1141 C TYR A 995 -0.948 14.312 0.286 1.00 0.00 C ATOM 1142 O TYR A 995 -0.244 14.330 1.271 1.00 0.00 O ATOM 1143 CB TYR A 995 -2.986 14.942 1.656 1.00 0.00 C ATOM 1144 CG TYR A 995 -2.621 16.414 1.811 1.00 0.00 C ATOM 1145 CD1 TYR A 995 -1.414 16.806 2.390 1.00 0.00 C ATOM 1146 CD2 TYR A 995 -3.505 17.409 1.440 1.00 0.00 C ATOM 1147 CE1 TYR A 995 -1.099 18.138 2.575 1.00 0.00 C ATOM 1148 CE2 TYR A 995 -3.203 18.740 1.626 1.00 0.00 C ATOM 1149 CZ TYR A 995 -1.998 19.102 2.190 1.00 0.00 C ATOM 1150 OH TYR A 995 -1.705 20.437 2.385 1.00 0.00 O ATOM 0 H TYR A 995 -2.938 12.563 1.652 1.00 0.00 H new ATOM 0 HA TYR A 995 -2.904 14.522 -0.484 1.00 0.00 H new ATOM 0 HB2 TYR A 995 -4.074 14.875 1.639 1.00 0.00 H new ATOM 0 HB3 TYR A 995 -2.648 14.425 2.554 1.00 0.00 H new ATOM 0 HD1 TYR A 995 -0.709 16.050 2.701 1.00 0.00 H new ATOM 0 HD2 TYR A 995 -4.451 17.138 0.996 1.00 0.00 H new ATOM 0 HE1 TYR A 995 -0.155 18.419 3.018 1.00 0.00 H new ATOM 0 HE2 TYR A 995 -3.910 19.500 1.330 1.00 0.00 H new ATOM 0 HH TYR A 995 -0.749 20.537 2.578 1.00 0.00 H new ATOM 1160 N GLY A 996 -0.454 14.348 -0.937 1.00 0.00 N ATOM 1161 CA GLY A 996 0.952 14.627 -1.113 1.00 0.00 C ATOM 1162 C GLY A 996 1.179 15.840 -1.974 1.00 0.00 C ATOM 1163 O GLY A 996 0.956 15.807 -3.175 1.00 0.00 O ATOM 0 H GLY A 996 -0.986 14.193 -1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 996 1.416 14.781 -0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 996 1.440 13.764 -1.566 1.00 0.00 H new ATOM 1167 N ILE A 997 1.571 16.939 -1.396 1.00 0.00 N ATOM 1168 CA ILE A 997 1.821 18.095 -2.218 1.00 0.00 C ATOM 1169 C ILE A 997 3.309 18.371 -2.218 1.00 0.00 C ATOM 1170 O ILE A 997 4.019 18.022 -1.270 1.00 0.00 O ATOM 1171 CB ILE A 997 1.047 19.375 -1.770 1.00 0.00 C ATOM 1172 CG1 ILE A 997 1.888 20.208 -0.786 1.00 0.00 C ATOM 1173 CG2 ILE A 997 -0.302 19.012 -1.161 1.00 0.00 C ATOM 1174 CD1 ILE A 997 1.113 21.243 0.011 1.00 0.00 C ATOM 0 H ILE A 997 1.721 17.062 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 997 1.455 17.862 -3.218 1.00 0.00 H new ATOM 0 HB ILE A 997 0.862 19.983 -2.655 1.00 0.00 H new ATOM 0 HG12 ILE A 997 2.380 19.530 -0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 997 2.674 20.717 -1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -0.821 19.921 -0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -0.903 18.481 -1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -0.148 18.374 -0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 997 1.794 21.776 0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 997 0.643 21.951 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 997 0.345 20.746 0.603 1.00 0.00 H new ATOM 1186 N THR A 998 3.772 18.942 -3.284 1.00 0.00 N ATOM 1187 CA THR A 998 5.145 19.326 -3.380 1.00 0.00 C ATOM 1188 C THR A 998 5.212 20.794 -3.789 1.00 0.00 C ATOM 1189 O THR A 998 4.935 21.120 -4.946 1.00 0.00 O ATOM 1190 CB THR A 998 5.820 18.510 -4.474 1.00 0.00 C ATOM 1191 OG1 THR A 998 5.438 17.127 -4.414 1.00 0.00 O ATOM 1192 CG2 THR A 998 7.327 18.621 -4.390 1.00 0.00 C ATOM 0 H THR A 998 3.212 19.155 -4.110 1.00 0.00 H new ATOM 0 HA THR A 998 5.638 19.162 -2.422 1.00 0.00 H new ATOM 0 HB THR A 998 5.486 18.923 -5.426 1.00 0.00 H new ATOM 0 HG1 THR A 998 5.887 16.632 -5.131 1.00 0.00 H new ATOM 0 HG21 THR A 998 7.780 18.028 -5.184 1.00 0.00 H new ATOM 0 HG22 THR A 998 7.622 19.664 -4.503 1.00 0.00 H new ATOM 0 HG23 THR A 998 7.666 18.251 -3.422 1.00 0.00 H new ATOM 1200 N ILE A 999 5.497 21.691 -2.867 1.00 0.00 N ATOM 1201 CA ILE A 999 5.652 23.084 -3.240 1.00 0.00 C ATOM 1202 C ILE A 999 7.053 23.271 -3.809 1.00 0.00 C ATOM 1203 O ILE A 999 8.039 22.925 -3.150 1.00 0.00 O ATOM 1204 CB ILE A 999 5.435 24.037 -2.036 1.00 0.00 C ATOM 1205 CG1 ILE A 999 4.048 23.807 -1.423 1.00 0.00 C ATOM 1206 CG2 ILE A 999 5.593 25.494 -2.464 1.00 0.00 C ATOM 1207 CD1 ILE A 999 3.759 24.664 -0.208 1.00 0.00 C ATOM 0 H ILE A 999 5.624 21.489 -1.875 1.00 0.00 H new ATOM 0 HA ILE A 999 4.895 23.335 -3.983 1.00 0.00 H new ATOM 0 HB ILE A 999 6.192 23.819 -1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 999 3.290 24.004 -2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 999 3.955 22.757 -1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 999 5.437 26.145 -1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 999 6.597 25.650 -2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 999 4.859 25.729 -3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 999 2.759 24.441 0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 999 4.492 24.452 0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 999 3.817 25.717 -0.483 1.00 0.00 H new ATOM 1219 N PRO A1000 7.163 23.778 -5.048 1.00 0.00 N ATOM 1220 CA PRO A1000 8.456 23.964 -5.709 1.00 0.00 C ATOM 1221 C PRO A1000 9.371 24.942 -4.966 1.00 0.00 C ATOM 1222 O PRO A1000 8.906 25.930 -4.391 1.00 0.00 O ATOM 1223 CB PRO A1000 8.084 24.518 -7.091 1.00 0.00 C ATOM 1224 CG PRO A1000 6.704 25.064 -6.936 1.00 0.00 C ATOM 1225 CD PRO A1000 6.039 24.204 -5.902 1.00 0.00 C ATOM 0 HA PRO A1000 9.020 23.032 -5.748 1.00 0.00 H new ATOM 0 HB2 PRO A1000 8.782 25.295 -7.405 1.00 0.00 H new ATOM 0 HB3 PRO A1000 8.115 23.736 -7.850 1.00 0.00 H new ATOM 0 HG2 PRO A1000 6.729 26.107 -6.620 1.00 0.00 H new ATOM 0 HG3 PRO A1000 6.161 25.030 -7.881 1.00 0.00 H new ATOM 0 HD2 PRO A1000 5.291 24.759 -5.336 1.00 0.00 H new ATOM 0 HD3 PRO A1000 5.530 23.352 -6.353 1.00 0.00 H new ATOM 1233 N PRO A1001 10.679 24.653 -4.937 1.00 0.00 N ATOM 1234 CA PRO A1001 11.245 23.453 -5.527 1.00 0.00 C ATOM 1235 C PRO A1001 11.460 22.326 -4.529 1.00 0.00 C ATOM 1236 O PRO A1001 11.839 22.537 -3.373 1.00 0.00 O ATOM 1237 CB PRO A1001 12.590 23.919 -6.059 1.00 0.00 C ATOM 1238 CG PRO A1001 12.841 25.248 -5.430 1.00 0.00 C ATOM 1239 CD PRO A1001 11.744 25.504 -4.425 1.00 0.00 C ATOM 0 HA PRO A1001 10.573 23.039 -6.279 1.00 0.00 H new ATOM 0 HB2 PRO A1001 13.378 23.211 -5.803 1.00 0.00 H new ATOM 0 HB3 PRO A1001 12.574 23.998 -7.146 1.00 0.00 H new ATOM 0 HG2 PRO A1001 13.815 25.260 -4.942 1.00 0.00 H new ATOM 0 HG3 PRO A1001 12.854 26.032 -6.188 1.00 0.00 H new ATOM 0 HD2 PRO A1001 12.041 25.226 -3.414 1.00 0.00 H new ATOM 0 HD3 PRO A1001 11.452 26.554 -4.395 1.00 0.00 H new ATOM 1247 N ASP A1002 11.274 21.147 -5.052 1.00 0.00 N ATOM 1248 CA ASP A1002 11.404 19.853 -4.367 1.00 0.00 C ATOM 1249 C ASP A1002 10.799 18.852 -5.332 1.00 0.00 C ATOM 1250 O ASP A1002 10.366 19.254 -6.416 1.00 0.00 O ATOM 1251 CB ASP A1002 10.643 19.786 -3.021 1.00 0.00 C ATOM 1252 CG ASP A1002 11.169 18.695 -2.086 1.00 0.00 C ATOM 1253 OD1 ASP A1002 11.139 17.488 -2.433 1.00 0.00 O ATOM 1254 OD2 ASP A1002 11.653 19.035 -0.982 1.00 0.00 O ATOM 0 H ASP A1002 11.010 21.036 -6.031 1.00 0.00 H new ATOM 0 HA ASP A1002 12.448 19.664 -4.119 1.00 0.00 H new ATOM 0 HB2 ASP A1002 10.717 20.751 -2.520 1.00 0.00 H new ATOM 0 HB3 ASP A1002 9.586 19.609 -3.217 1.00 0.00 H new ATOM 1259 N HIS A1003 10.761 17.586 -4.990 1.00 0.00 N ATOM 1260 CA HIS A1003 10.186 16.576 -5.853 1.00 0.00 C ATOM 1261 C HIS A1003 9.234 15.660 -5.104 1.00 0.00 C ATOM 1262 O HIS A1003 8.226 15.224 -5.663 1.00 0.00 O ATOM 1263 CB HIS A1003 11.280 15.790 -6.611 1.00 0.00 C ATOM 1264 CG HIS A1003 12.504 15.436 -5.809 1.00 0.00 C ATOM 1265 ND1 HIS A1003 13.651 16.192 -5.843 1.00 0.00 N ATOM 1266 CD2 HIS A1003 12.770 14.410 -4.975 1.00 0.00 C ATOM 1267 CE1 HIS A1003 14.566 15.650 -5.068 1.00 0.00 C ATOM 1268 NE2 HIS A1003 14.060 14.562 -4.528 1.00 0.00 N ATOM 0 H HIS A1003 11.126 17.225 -4.108 1.00 0.00 H new ATOM 0 HA HIS A1003 9.588 17.094 -6.603 1.00 0.00 H new ATOM 0 HB2 HIS A1003 10.840 14.869 -6.994 1.00 0.00 H new ATOM 0 HB3 HIS A1003 11.591 16.378 -7.474 1.00 0.00 H new ATOM 0 HD2 HIS A1003 12.092 13.613 -4.707 1.00 0.00 H new ATOM 0 HE1 HIS A1003 15.562 16.033 -4.903 1.00 0.00 H new ATOM 0 HE2 HIS A1003 14.545 13.936 -3.885 1.00 0.00 H new ATOM 1277 N LYS A1004 9.519 15.387 -3.844 1.00 0.00 N ATOM 1278 CA LYS A1004 8.690 14.477 -3.071 1.00 0.00 C ATOM 1279 C LYS A1004 7.933 15.150 -1.941 1.00 0.00 C ATOM 1280 O LYS A1004 8.498 15.939 -1.178 1.00 0.00 O ATOM 1281 CB LYS A1004 9.558 13.395 -2.467 1.00 0.00 C ATOM 1282 CG LYS A1004 10.166 12.452 -3.473 1.00 0.00 C ATOM 1283 CD LYS A1004 11.382 11.823 -2.865 1.00 0.00 C ATOM 1284 CE LYS A1004 12.000 10.765 -3.757 1.00 0.00 C ATOM 1285 NZ LYS A1004 13.264 10.250 -3.187 1.00 0.00 N ATOM 0 H LYS A1004 10.312 15.778 -3.336 1.00 0.00 H new ATOM 0 HA LYS A1004 7.955 14.074 -3.768 1.00 0.00 H new ATOM 0 HB2 LYS A1004 10.359 13.865 -1.897 1.00 0.00 H new ATOM 0 HB3 LYS A1004 8.960 12.818 -1.761 1.00 0.00 H new ATOM 0 HG2 LYS A1004 9.445 11.685 -3.756 1.00 0.00 H new ATOM 0 HG3 LYS A1004 10.433 12.990 -4.383 1.00 0.00 H new ATOM 0 HD2 LYS A1004 12.122 12.596 -2.659 1.00 0.00 H new ATOM 0 HD3 LYS A1004 11.115 11.375 -1.908 1.00 0.00 H new ATOM 0 HE2 LYS A1004 11.297 9.943 -3.889 1.00 0.00 H new ATOM 0 HE3 LYS A1004 12.189 11.185 -4.745 1.00 0.00 H new ATOM 0 HZ1 LYS A1004 13.662 9.528 -3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A1004 13.942 11.032 -3.084 1.00 0.00 H new ATOM 0 HZ3 LYS A1004 13.078 9.828 -2.255 1.00 0.00 H new ATOM 1299 N PRO A1005 6.633 14.847 -1.850 1.00 0.00 N ATOM 1300 CA PRO A1005 5.812 15.193 -0.696 1.00 0.00 C ATOM 1301 C PRO A1005 6.379 14.549 0.556 1.00 0.00 C ATOM 1302 O PRO A1005 6.726 13.362 0.563 1.00 0.00 O ATOM 1303 CB PRO A1005 4.464 14.557 -1.009 1.00 0.00 C ATOM 1304 CG PRO A1005 4.433 14.461 -2.486 1.00 0.00 C ATOM 1305 CD PRO A1005 5.847 14.192 -2.901 1.00 0.00 C ATOM 0 HA PRO A1005 5.761 16.268 -0.524 1.00 0.00 H new ATOM 0 HB2 PRO A1005 4.371 13.575 -0.545 1.00 0.00 H new ATOM 0 HB3 PRO A1005 3.641 15.166 -0.634 1.00 0.00 H new ATOM 0 HG2 PRO A1005 3.769 13.661 -2.813 1.00 0.00 H new ATOM 0 HG3 PRO A1005 4.062 15.384 -2.931 1.00 0.00 H new ATOM 0 HD2 PRO A1005 6.055 13.123 -2.953 1.00 0.00 H new ATOM 0 HD3 PRO A1005 6.064 14.608 -3.885 1.00 0.00 H new ATOM 1313 N LYS A1006 6.465 15.318 1.605 1.00 0.00 N ATOM 1314 CA LYS A1006 7.042 14.857 2.849 1.00 0.00 C ATOM 1315 C LYS A1006 5.978 14.881 3.932 1.00 0.00 C ATOM 1316 O LYS A1006 6.253 14.789 5.134 1.00 0.00 O ATOM 1317 CB LYS A1006 8.220 15.762 3.176 1.00 0.00 C ATOM 1318 CG LYS A1006 7.865 17.236 3.289 1.00 0.00 C ATOM 1319 CD LYS A1006 9.107 18.102 3.164 1.00 0.00 C ATOM 1320 CE LYS A1006 9.682 18.042 1.753 1.00 0.00 C ATOM 1321 NZ LYS A1006 10.949 18.806 1.621 1.00 0.00 N ATOM 0 H LYS A1006 6.138 16.284 1.628 1.00 0.00 H new ATOM 0 HA LYS A1006 7.401 13.831 2.774 1.00 0.00 H new ATOM 0 HB2 LYS A1006 8.665 15.434 4.116 1.00 0.00 H new ATOM 0 HB3 LYS A1006 8.981 15.642 2.404 1.00 0.00 H new ATOM 0 HG2 LYS A1006 7.150 17.503 2.511 1.00 0.00 H new ATOM 0 HG3 LYS A1006 7.379 17.425 4.246 1.00 0.00 H new ATOM 0 HD2 LYS A1006 8.861 19.134 3.416 1.00 0.00 H new ATOM 0 HD3 LYS A1006 9.859 17.770 3.880 1.00 0.00 H new ATOM 0 HE2 LYS A1006 9.859 17.002 1.480 1.00 0.00 H new ATOM 0 HE3 LYS A1006 8.949 18.436 1.049 1.00 0.00 H new ATOM 0 HZ1 LYS A1006 11.377 18.611 0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A1006 10.751 19.824 1.704 1.00 0.00 H new ATOM 0 HZ3 LYS A1006 11.607 18.519 2.373 1.00 0.00 H new ATOM 1335 N SER A1007 4.756 14.977 3.474 1.00 0.00 N ATOM 1336 CA SER A1007 3.607 15.054 4.327 1.00 0.00 C ATOM 1337 C SER A1007 2.442 14.381 3.618 1.00 0.00 C ATOM 1338 O SER A1007 2.297 14.530 2.406 1.00 0.00 O ATOM 1339 CB SER A1007 3.313 16.526 4.622 1.00 0.00 C ATOM 1340 OG SER A1007 2.155 16.685 5.417 1.00 0.00 O ATOM 0 H SER A1007 4.532 15.004 2.479 1.00 0.00 H new ATOM 0 HA SER A1007 3.778 14.545 5.276 1.00 0.00 H new ATOM 0 HB2 SER A1007 4.167 16.971 5.132 1.00 0.00 H new ATOM 0 HB3 SER A1007 3.186 17.066 3.684 1.00 0.00 H new ATOM 0 HG SER A1007 2.002 17.638 5.585 1.00 0.00 H new ATOM 1346 N TRP A1008 1.673 13.603 4.365 1.00 0.00 N ATOM 1347 CA TRP A1008 0.499 12.909 3.850 1.00 0.00 C ATOM 1348 C TRP A1008 -0.628 13.059 4.852 1.00 0.00 C ATOM 1349 O TRP A1008 -0.425 12.936 6.063 1.00 0.00 O ATOM 1350 CB TRP A1008 0.792 11.430 3.545 1.00 0.00 C ATOM 1351 CG TRP A1008 1.975 11.288 2.668 1.00 0.00 C ATOM 1352 CD1 TRP A1008 3.254 11.193 3.080 1.00 0.00 C ATOM 1353 CD2 TRP A1008 2.001 11.274 1.232 1.00 0.00 C ATOM 1354 NE1 TRP A1008 4.081 11.167 2.009 1.00 0.00 N ATOM 1355 CE2 TRP A1008 3.346 11.187 0.857 1.00 0.00 C ATOM 1356 CE3 TRP A1008 1.027 11.328 0.229 1.00 0.00 C ATOM 1357 CZ2 TRP A1008 3.750 11.157 -0.476 1.00 0.00 C ATOM 1358 CZ3 TRP A1008 1.425 11.291 -1.093 1.00 0.00 C ATOM 1359 CH2 TRP A1008 2.778 11.206 -1.435 1.00 0.00 C ATOM 0 H TRP A1008 1.847 13.433 5.356 1.00 0.00 H new ATOM 0 HA TRP A1008 0.206 13.358 2.901 1.00 0.00 H new ATOM 0 HB2 TRP A1008 0.960 10.890 4.477 1.00 0.00 H new ATOM 0 HB3 TRP A1008 -0.076 10.976 3.066 1.00 0.00 H new ATOM 0 HD1 TRP A1008 3.572 11.145 4.111 1.00 0.00 H new ATOM 0 HE1 TRP A1008 5.100 11.137 2.055 1.00 0.00 H new ATOM 0 HE3 TRP A1008 -0.020 11.398 0.485 1.00 0.00 H new ATOM 0 HZ2 TRP A1008 4.795 11.097 -0.742 1.00 0.00 H new ATOM 0 HZ3 TRP A1008 0.680 11.328 -1.874 1.00 0.00 H new ATOM 0 HH2 TRP A1008 3.060 11.179 -2.477 1.00 0.00 H new ATOM 1370 N VAL A1009 -1.806 13.322 4.332 1.00 0.00 N ATOM 1371 CA VAL A1009 -3.001 13.637 5.109 1.00 0.00 C ATOM 1372 C VAL A1009 -4.138 12.967 4.336 1.00 0.00 C ATOM 1373 O VAL A1009 -3.869 12.355 3.312 1.00 0.00 O ATOM 1374 CB VAL A1009 -3.224 15.193 5.221 1.00 0.00 C ATOM 1375 CG1 VAL A1009 -4.420 15.563 6.091 1.00 0.00 C ATOM 1376 CG2 VAL A1009 -1.990 15.904 5.763 1.00 0.00 C ATOM 0 H VAL A1009 -1.972 13.325 3.326 1.00 0.00 H new ATOM 0 HA VAL A1009 -2.930 13.282 6.137 1.00 0.00 H new ATOM 0 HB VAL A1009 -3.423 15.524 4.202 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -4.521 16.648 6.129 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -5.326 15.129 5.668 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -4.270 15.177 7.099 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -2.185 16.975 5.825 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -1.755 15.520 6.756 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -1.146 15.727 5.097 1.00 0.00 H new ATOM 1386 N ALA A1010 -5.368 13.035 4.786 1.00 0.00 N ATOM 1387 CA ALA A1010 -6.451 12.416 4.045 1.00 0.00 C ATOM 1388 C ALA A1010 -7.241 13.422 3.205 1.00 0.00 C ATOM 1389 O ALA A1010 -8.254 13.060 2.608 1.00 0.00 O ATOM 1390 CB ALA A1010 -7.381 11.694 5.004 1.00 0.00 C ATOM 0 H ALA A1010 -5.646 13.504 5.648 1.00 0.00 H new ATOM 0 HA ALA A1010 -6.004 11.704 3.351 1.00 0.00 H new ATOM 0 HB1 ALA A1010 -8.193 11.230 4.444 1.00 0.00 H new ATOM 0 HB2 ALA A1010 -6.825 10.925 5.540 1.00 0.00 H new ATOM 0 HB3 ALA A1010 -7.793 12.408 5.717 1.00 0.00 H new ATOM 1396 N ALA A1011 -6.819 14.687 3.168 1.00 0.00 N ATOM 1397 CA ALA A1011 -7.545 15.709 2.421 1.00 0.00 C ATOM 1398 C ALA A1011 -7.119 15.767 0.952 1.00 0.00 C ATOM 1399 O ALA A1011 -6.318 14.950 0.489 1.00 0.00 O ATOM 1400 CB ALA A1011 -7.323 17.060 3.090 1.00 0.00 C ATOM 0 H ALA A1011 -5.983 15.025 3.644 1.00 0.00 H new ATOM 0 HA ALA A1011 -8.604 15.451 2.431 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -7.861 17.831 2.540 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -7.690 17.023 4.116 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -6.258 17.293 3.094 1.00 0.00 H new ATOM 1406 N GLU A1012 -7.549 16.819 0.264 1.00 0.00 N ATOM 1407 CA GLU A1012 -7.318 16.948 -1.159 1.00 0.00 C ATOM 1408 C GLU A1012 -7.450 18.419 -1.552 1.00 0.00 C ATOM 1409 O GLU A1012 -8.534 18.985 -1.571 1.00 0.00 O ATOM 1410 CB GLU A1012 -8.260 16.042 -1.971 1.00 0.00 C ATOM 1411 CG GLU A1012 -7.671 15.602 -3.314 1.00 0.00 C ATOM 1412 CD GLU A1012 -7.453 16.729 -4.285 1.00 0.00 C ATOM 1413 OE1 GLU A1012 -8.370 17.052 -5.060 1.00 0.00 O ATOM 1414 OE2 GLU A1012 -6.362 17.305 -4.288 1.00 0.00 O ATOM 0 H GLU A1012 -8.063 17.597 0.678 1.00 0.00 H new ATOM 0 HA GLU A1012 -6.307 16.613 -1.392 1.00 0.00 H new ATOM 0 HB2 GLU A1012 -8.500 15.158 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A1012 -9.197 16.570 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU A1012 -6.720 15.101 -3.135 1.00 0.00 H new ATOM 0 HG3 GLU A1012 -8.337 14.868 -3.768 1.00 0.00 H new ATOM 1421 N LYS A1013 -6.315 19.028 -1.829 1.00 0.00 N ATOM 1422 CA LYS A1013 -6.237 20.427 -2.197 1.00 0.00 C ATOM 1423 C LYS A1013 -5.779 20.553 -3.629 1.00 0.00 C ATOM 1424 O LYS A1013 -4.973 19.748 -4.088 1.00 0.00 O ATOM 1425 CB LYS A1013 -5.224 21.150 -1.328 1.00 0.00 C ATOM 1426 CG LYS A1013 -5.582 21.232 0.134 1.00 0.00 C ATOM 1427 CD LYS A1013 -4.422 21.816 0.904 1.00 0.00 C ATOM 1428 CE LYS A1013 -4.744 21.988 2.374 1.00 0.00 C ATOM 1429 NZ LYS A1013 -3.568 22.453 3.141 1.00 0.00 N ATOM 0 H LYS A1013 -5.409 18.559 -1.805 1.00 0.00 H new ATOM 0 HA LYS A1013 -7.226 20.865 -2.065 1.00 0.00 H new ATOM 0 HB2 LYS A1013 -4.262 20.647 -1.423 1.00 0.00 H new ATOM 0 HB3 LYS A1013 -5.095 22.162 -1.712 1.00 0.00 H new ATOM 0 HG2 LYS A1013 -6.470 21.850 0.268 1.00 0.00 H new ATOM 0 HG3 LYS A1013 -5.824 20.240 0.516 1.00 0.00 H new ATOM 0 HD2 LYS A1013 -3.553 21.167 0.797 1.00 0.00 H new ATOM 0 HD3 LYS A1013 -4.153 22.782 0.477 1.00 0.00 H new ATOM 0 HE2 LYS A1013 -5.558 22.704 2.487 1.00 0.00 H new ATOM 0 HE3 LYS A1013 -5.094 21.040 2.783 1.00 0.00 H new ATOM 0 HZ1 LYS A1013 -3.791 22.446 4.157 1.00 0.00 H new ATOM 0 HZ2 LYS A1013 -2.763 21.821 2.959 1.00 0.00 H new ATOM 0 HZ3 LYS A1013 -3.322 23.420 2.847 1.00 0.00 H new ATOM 1443 N MET A1014 -6.250 21.590 -4.294 1.00 0.00 N ATOM 1444 CA MET A1014 -5.873 21.918 -5.670 1.00 0.00 C ATOM 1445 C MET A1014 -4.374 21.875 -5.877 1.00 0.00 C ATOM 1446 O MET A1014 -3.905 21.385 -6.902 1.00 0.00 O ATOM 1447 CB MET A1014 -6.359 23.305 -5.997 1.00 0.00 C ATOM 1448 CG MET A1014 -6.101 23.744 -7.431 1.00 0.00 C ATOM 1449 SD MET A1014 -6.501 25.479 -7.704 1.00 0.00 S ATOM 1450 CE MET A1014 -5.324 26.279 -6.610 1.00 0.00 C ATOM 0 H MET A1014 -6.919 22.246 -3.892 1.00 0.00 H new ATOM 0 HA MET A1014 -6.329 21.174 -6.322 1.00 0.00 H new ATOM 0 HB2 MET A1014 -7.430 23.356 -5.802 1.00 0.00 H new ATOM 0 HB3 MET A1014 -5.878 24.013 -5.322 1.00 0.00 H new ATOM 0 HG2 MET A1014 -5.053 23.573 -7.677 1.00 0.00 H new ATOM 0 HG3 MET A1014 -6.692 23.127 -8.108 1.00 0.00 H new ATOM 0 HE1 MET A1014 -5.126 27.290 -6.966 1.00 0.00 H new ATOM 0 HE2 MET A1014 -5.736 26.323 -5.602 1.00 0.00 H new ATOM 0 HE3 MET A1014 -4.394 25.710 -6.597 1.00 0.00 H new ATOM 1460 N TYR A1015 -3.630 22.353 -4.881 1.00 0.00 N ATOM 1461 CA TYR A1015 -2.166 22.373 -4.913 1.00 0.00 C ATOM 1462 C TYR A1015 -1.558 20.974 -5.020 1.00 0.00 C ATOM 1463 O TYR A1015 -0.337 20.834 -5.011 1.00 0.00 O ATOM 1464 CB TYR A1015 -1.619 23.040 -3.649 1.00 0.00 C ATOM 1465 CG TYR A1015 -2.147 24.431 -3.389 1.00 0.00 C ATOM 1466 CD1 TYR A1015 -1.641 25.531 -4.068 1.00 0.00 C ATOM 1467 CD2 TYR A1015 -3.151 24.642 -2.451 1.00 0.00 C ATOM 1468 CE1 TYR A1015 -2.121 26.801 -3.820 1.00 0.00 C ATOM 1469 CE2 TYR A1015 -3.635 25.908 -2.200 1.00 0.00 C ATOM 1470 CZ TYR A1015 -3.115 26.985 -2.888 1.00 0.00 C ATOM 1471 OH TYR A1015 -3.600 28.251 -2.647 1.00 0.00 O ATOM 0 H TYR A1015 -4.026 22.740 -4.024 1.00 0.00 H new ATOM 0 HA TYR A1015 -1.886 22.937 -5.803 1.00 0.00 H new ATOM 0 HB2 TYR A1015 -1.855 22.410 -2.791 1.00 0.00 H new ATOM 0 HB3 TYR A1015 -0.532 23.086 -3.720 1.00 0.00 H new ATOM 0 HD1 TYR A1015 -0.860 25.391 -4.801 1.00 0.00 H new ATOM 0 HD2 TYR A1015 -3.558 23.801 -1.910 1.00 0.00 H new ATOM 0 HE1 TYR A1015 -1.717 27.647 -4.356 1.00 0.00 H new ATOM 0 HE2 TYR A1015 -4.416 26.056 -1.469 1.00 0.00 H new ATOM 0 HH TYR A1015 -4.299 28.208 -1.962 1.00 0.00 H new ATOM 1481 N HIS A1016 -2.386 19.937 -5.063 1.00 0.00 N ATOM 1482 CA HIS A1016 -1.877 18.575 -5.200 1.00 0.00 C ATOM 1483 C HIS A1016 -1.119 18.346 -6.481 1.00 0.00 C ATOM 1484 O HIS A1016 -1.652 18.513 -7.574 1.00 0.00 O ATOM 1485 CB HIS A1016 -2.979 17.524 -5.043 1.00 0.00 C ATOM 1486 CG HIS A1016 -3.075 17.074 -3.645 1.00 0.00 C ATOM 1487 ND1 HIS A1016 -4.219 17.125 -2.915 1.00 0.00 N ATOM 1488 CD2 HIS A1016 -2.118 16.634 -2.821 1.00 0.00 C ATOM 1489 CE1 HIS A1016 -3.966 16.761 -1.679 1.00 0.00 C ATOM 1490 NE2 HIS A1016 -2.693 16.451 -1.601 1.00 0.00 N ATOM 0 H HIS A1016 -3.402 20.009 -5.006 1.00 0.00 H new ATOM 0 HA HIS A1016 -1.169 18.457 -4.380 1.00 0.00 H new ATOM 0 HB2 HIS A1016 -3.934 17.941 -5.362 1.00 0.00 H new ATOM 0 HB3 HIS A1016 -2.771 16.672 -5.691 1.00 0.00 H new ATOM 0 HD1 HIS A1016 -5.133 17.403 -3.272 1.00 0.00 H new ATOM 0 HD2 HIS A1016 -1.083 16.457 -3.076 1.00 0.00 H new ATOM 0 HE1 HIS A1016 -4.680 16.723 -0.869 1.00 0.00 H new ATOM 1499 N THR A1017 0.135 17.998 -6.304 1.00 0.00 N ATOM 1500 CA THR A1017 1.007 17.617 -7.383 1.00 0.00 C ATOM 1501 C THR A1017 1.187 16.103 -7.356 1.00 0.00 C ATOM 1502 O THR A1017 1.636 15.486 -8.308 1.00 0.00 O ATOM 1503 CB THR A1017 2.372 18.298 -7.196 1.00 0.00 C ATOM 1504 OG1 THR A1017 2.832 18.061 -5.854 1.00 0.00 O ATOM 1505 CG2 THR A1017 2.280 19.794 -7.445 1.00 0.00 C ATOM 0 H THR A1017 0.582 17.972 -5.388 1.00 0.00 H new ATOM 0 HA THR A1017 0.578 17.923 -8.337 1.00 0.00 H new ATOM 0 HB THR A1017 3.073 17.878 -7.918 1.00 0.00 H new ATOM 0 HG1 THR A1017 3.595 17.447 -5.874 1.00 0.00 H new ATOM 0 HG21 THR A1017 3.261 20.247 -7.305 1.00 0.00 H new ATOM 0 HG22 THR A1017 1.940 19.973 -8.465 1.00 0.00 H new ATOM 0 HG23 THR A1017 1.573 20.237 -6.744 1.00 0.00 H new ATOM 1513 N HIS A1018 0.871 15.529 -6.213 1.00 0.00 N ATOM 1514 CA HIS A1018 1.025 14.101 -5.960 1.00 0.00 C ATOM 1515 C HIS A1018 -0.138 13.538 -5.143 1.00 0.00 C ATOM 1516 O HIS A1018 -0.801 14.252 -4.380 1.00 0.00 O ATOM 1517 CB HIS A1018 2.319 13.858 -5.179 1.00 0.00 C ATOM 1518 CG HIS A1018 3.549 13.539 -5.970 1.00 0.00 C ATOM 1519 ND1 HIS A1018 4.144 14.375 -6.890 1.00 0.00 N ATOM 1520 CD2 HIS A1018 4.327 12.443 -5.916 1.00 0.00 C ATOM 1521 CE1 HIS A1018 5.238 13.795 -7.360 1.00 0.00 C ATOM 1522 NE2 HIS A1018 5.368 12.620 -6.780 1.00 0.00 N ATOM 0 H HIS A1018 0.494 16.045 -5.418 1.00 0.00 H new ATOM 0 HA HIS A1018 1.048 13.599 -6.927 1.00 0.00 H new ATOM 0 HB2 HIS A1018 2.524 14.746 -4.581 1.00 0.00 H new ATOM 0 HB3 HIS A1018 2.144 13.038 -4.483 1.00 0.00 H new ATOM 0 HD2 HIS A1018 4.157 11.575 -5.297 1.00 0.00 H new ATOM 0 HE1 HIS A1018 5.910 14.215 -8.094 1.00 0.00 H new ATOM 0 HE2 HIS A1018 6.121 11.953 -6.949 1.00 0.00 H new ATOM 1531 N ARG A1019 -0.422 12.273 -5.346 1.00 0.00 N ATOM 1532 CA ARG A1019 -1.353 11.544 -4.514 1.00 0.00 C ATOM 1533 C ARG A1019 -1.010 10.084 -4.647 1.00 0.00 C ATOM 1534 O ARG A1019 -0.438 9.684 -5.670 1.00 0.00 O ATOM 1535 CB ARG A1019 -2.807 11.748 -4.940 1.00 0.00 C ATOM 1536 CG ARG A1019 -3.144 11.184 -6.313 1.00 0.00 C ATOM 1537 CD ARG A1019 -4.629 11.292 -6.555 1.00 0.00 C ATOM 1538 NE ARG A1019 -5.058 10.776 -7.855 1.00 0.00 N ATOM 1539 CZ ARG A1019 -6.337 10.573 -8.190 1.00 0.00 C ATOM 1540 NH1 ARG A1019 -7.318 11.052 -7.435 1.00 0.00 N ATOM 1541 NH2 ARG A1019 -6.630 9.958 -9.317 1.00 0.00 N ATOM 0 H ARG A1019 -0.012 11.717 -6.096 1.00 0.00 H new ATOM 0 HA ARG A1019 -1.267 11.905 -3.489 1.00 0.00 H new ATOM 0 HB2 ARG A1019 -3.458 11.284 -4.200 1.00 0.00 H new ATOM 0 HB3 ARG A1019 -3.028 12.815 -4.935 1.00 0.00 H new ATOM 0 HG2 ARG A1019 -2.599 11.728 -7.084 1.00 0.00 H new ATOM 0 HG3 ARG A1019 -2.830 10.142 -6.376 1.00 0.00 H new ATOM 0 HD2 ARG A1019 -5.155 10.751 -5.769 1.00 0.00 H new ATOM 0 HD3 ARG A1019 -4.925 12.338 -6.475 1.00 0.00 H new ATOM 0 HE ARG A1019 -4.340 10.558 -8.546 1.00 0.00 H new ATOM 0 HH11 ARG A1019 -7.100 11.581 -6.590 1.00 0.00 H new ATOM 0 HH12 ARG A1019 -8.290 10.892 -7.699 1.00 0.00 H new ATOM 0 HH21 ARG A1019 -5.882 9.638 -9.932 1.00 0.00 H new ATOM 0 HH22 ARG A1019 -7.605 9.802 -9.574 1.00 0.00 H new ATOM 1555 N ARG A1020 -1.289 9.302 -3.631 1.00 0.00 N ATOM 1556 CA ARG A1020 -1.061 7.865 -3.763 1.00 0.00 C ATOM 1557 C ARG A1020 -2.018 7.125 -2.890 1.00 0.00 C ATOM 1558 O ARG A1020 -2.591 7.702 -2.025 1.00 0.00 O ATOM 1559 CB ARG A1020 0.368 7.479 -3.379 1.00 0.00 C ATOM 1560 CG ARG A1020 0.717 7.858 -1.952 1.00 0.00 C ATOM 1561 CD ARG A1020 2.045 7.294 -1.483 1.00 0.00 C ATOM 1562 NE ARG A1020 3.224 7.874 -2.137 1.00 0.00 N ATOM 1563 CZ ARG A1020 4.440 7.866 -1.568 1.00 0.00 C ATOM 1564 NH1 ARG A1020 4.565 7.449 -0.311 1.00 0.00 N ATOM 1565 NH2 ARG A1020 5.502 8.335 -2.218 1.00 0.00 N ATOM 0 H ARG A1020 -1.660 9.611 -2.733 1.00 0.00 H new ATOM 0 HA ARG A1020 -1.216 7.600 -4.809 1.00 0.00 H new ATOM 0 HB2 ARG A1020 0.495 6.404 -3.506 1.00 0.00 H new ATOM 0 HB3 ARG A1020 1.066 7.965 -4.060 1.00 0.00 H new ATOM 0 HG2 ARG A1020 0.743 8.945 -1.869 1.00 0.00 H new ATOM 0 HG3 ARG A1020 -0.073 7.507 -1.288 1.00 0.00 H new ATOM 0 HD2 ARG A1020 2.130 7.449 -0.407 1.00 0.00 H new ATOM 0 HD3 ARG A1020 2.046 6.217 -1.651 1.00 0.00 H new ATOM 0 HE ARG A1020 3.115 8.299 -3.058 1.00 0.00 H new ATOM 0 HH11 ARG A1020 3.743 7.141 0.208 1.00 0.00 H new ATOM 0 HH12 ARG A1020 5.483 7.438 0.134 1.00 0.00 H new ATOM 0 HH21 ARG A1020 5.399 8.707 -3.162 1.00 0.00 H new ATOM 0 HH22 ARG A1020 6.419 8.322 -1.772 1.00 0.00 H new ATOM 1579 N ARG A1021 -2.190 5.858 -3.102 1.00 0.00 N ATOM 1580 CA ARG A1021 -3.120 5.130 -2.274 1.00 0.00 C ATOM 1581 C ARG A1021 -2.597 3.749 -1.962 1.00 0.00 C ATOM 1582 O ARG A1021 -1.884 3.164 -2.774 1.00 0.00 O ATOM 1583 CB ARG A1021 -4.467 5.076 -2.960 1.00 0.00 C ATOM 1584 CG ARG A1021 -4.425 4.424 -4.326 1.00 0.00 C ATOM 1585 CD ARG A1021 -5.795 4.337 -4.933 1.00 0.00 C ATOM 1586 NE ARG A1021 -5.702 4.175 -6.376 1.00 0.00 N ATOM 1587 CZ ARG A1021 -6.724 3.828 -7.170 1.00 0.00 C ATOM 1588 NH1 ARG A1021 -7.892 3.486 -6.640 1.00 0.00 N ATOM 1589 NH2 ARG A1021 -6.580 3.858 -8.491 1.00 0.00 N ATOM 0 H ARG A1021 -1.716 5.311 -3.820 1.00 0.00 H new ATOM 0 HA ARG A1021 -3.237 5.647 -1.322 1.00 0.00 H new ATOM 0 HB2 ARG A1021 -5.166 4.530 -2.327 1.00 0.00 H new ATOM 0 HB3 ARG A1021 -4.855 6.090 -3.062 1.00 0.00 H new ATOM 0 HG2 ARG A1021 -3.770 4.995 -4.984 1.00 0.00 H new ATOM 0 HG3 ARG A1021 -3.999 3.424 -4.241 1.00 0.00 H new ATOM 0 HD2 ARG A1021 -6.338 3.497 -4.501 1.00 0.00 H new ATOM 0 HD3 ARG A1021 -6.362 5.238 -4.698 1.00 0.00 H new ATOM 0 HE ARG A1021 -4.795 4.337 -6.814 1.00 0.00 H new ATOM 0 HH11 ARG A1021 -8.012 3.487 -5.627 1.00 0.00 H new ATOM 0 HH12 ARG A1021 -8.669 3.222 -7.246 1.00 0.00 H new ATOM 0 HH21 ARG A1021 -5.691 4.145 -8.901 1.00 0.00 H new ATOM 0 HH22 ARG A1021 -7.358 3.594 -9.095 1.00 0.00 H new ATOM 1603 N ARG A1022 -2.946 3.237 -0.796 1.00 0.00 N ATOM 1604 CA ARG A1022 -2.483 1.945 -0.359 1.00 0.00 C ATOM 1605 C ARG A1022 -3.428 0.840 -0.781 1.00 0.00 C ATOM 1606 O ARG A1022 -4.613 0.869 -0.457 1.00 0.00 O ATOM 1607 CB ARG A1022 -2.353 1.902 1.159 1.00 0.00 C ATOM 1608 CG ARG A1022 -2.037 0.513 1.691 1.00 0.00 C ATOM 1609 CD ARG A1022 -1.947 0.504 3.199 1.00 0.00 C ATOM 1610 NE ARG A1022 -0.855 1.328 3.637 1.00 0.00 N ATOM 1611 CZ ARG A1022 -0.708 1.816 4.874 1.00 0.00 C ATOM 1612 NH1 ARG A1022 -1.456 1.376 5.879 1.00 0.00 N ATOM 1613 NH2 ARG A1022 0.244 2.684 5.130 1.00 0.00 N ATOM 0 H ARG A1022 -3.558 3.709 -0.130 1.00 0.00 H new ATOM 0 HA ARG A1022 -1.511 1.788 -0.827 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -1.568 2.591 1.470 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -3.282 2.254 1.607 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -2.809 -0.186 1.368 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -1.095 0.166 1.267 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -2.881 0.867 3.628 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -1.808 -0.516 3.556 1.00 0.00 H new ATOM 0 HE ARG A1022 -0.136 1.559 2.952 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -2.157 0.654 5.715 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -1.329 1.760 6.815 1.00 0.00 H new ATOM 0 HH21 ARG A1022 0.872 2.987 4.385 1.00 0.00 H new ATOM 0 HH22 ARG A1022 0.355 3.055 6.073 1.00 0.00 H new ATOM 1627 N LEU A1023 -2.900 -0.100 -1.517 1.00 0.00 N ATOM 1628 CA LEU A1023 -3.567 -1.347 -1.754 1.00 0.00 C ATOM 1629 C LEU A1023 -3.093 -2.287 -0.667 1.00 0.00 C ATOM 1630 O LEU A1023 -1.891 -2.397 -0.412 1.00 0.00 O ATOM 1631 CB LEU A1023 -3.204 -1.934 -3.108 1.00 0.00 C ATOM 1632 CG LEU A1023 -3.508 -1.070 -4.319 1.00 0.00 C ATOM 1633 CD1 LEU A1023 -2.988 -1.759 -5.566 1.00 0.00 C ATOM 1634 CD2 LEU A1023 -5.004 -0.823 -4.427 1.00 0.00 C ATOM 0 H LEU A1023 -1.990 -0.020 -1.971 1.00 0.00 H new ATOM 0 HA LEU A1023 -4.647 -1.201 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A1023 -2.138 -2.160 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A1023 -3.731 -2.881 -3.223 1.00 0.00 H new ATOM 0 HG LEU A1023 -3.013 -0.105 -4.212 1.00 0.00 H new ATOM 0 HD11 LEU A1023 -3.204 -1.143 -6.439 1.00 0.00 H new ATOM 0 HD12 LEU A1023 -1.911 -1.902 -5.480 1.00 0.00 H new ATOM 0 HD13 LEU A1023 -3.475 -2.728 -5.676 1.00 0.00 H new ATOM 0 HD21 LEU A1023 -5.208 -0.202 -5.299 1.00 0.00 H new ATOM 0 HD22 LEU A1023 -5.524 -1.776 -4.530 1.00 0.00 H new ATOM 0 HD23 LEU A1023 -5.354 -0.314 -3.529 1.00 0.00 H new ATOM 1646 N VAL A1024 -4.024 -2.916 -0.015 1.00 0.00 N ATOM 1647 CA VAL A1024 -3.733 -3.795 1.088 1.00 0.00 C ATOM 1648 C VAL A1024 -4.036 -5.219 0.749 1.00 0.00 C ATOM 1649 O VAL A1024 -5.031 -5.543 0.082 1.00 0.00 O ATOM 1650 CB VAL A1024 -4.489 -3.455 2.394 1.00 0.00 C ATOM 1651 CG1 VAL A1024 -3.921 -2.217 3.039 1.00 0.00 C ATOM 1652 CG2 VAL A1024 -5.983 -3.286 2.152 1.00 0.00 C ATOM 0 H VAL A1024 -5.017 -2.836 -0.232 1.00 0.00 H new ATOM 0 HA VAL A1024 -2.667 -3.649 1.265 1.00 0.00 H new ATOM 0 HB VAL A1024 -4.353 -4.297 3.073 1.00 0.00 H new ATOM 0 HG11 VAL A1024 -4.470 -2.000 3.955 1.00 0.00 H new ATOM 0 HG12 VAL A1024 -2.870 -2.380 3.276 1.00 0.00 H new ATOM 0 HG13 VAL A1024 -4.012 -1.375 2.353 1.00 0.00 H new ATOM 0 HG21 VAL A1024 -6.479 -3.048 3.093 1.00 0.00 H new ATOM 0 HG22 VAL A1024 -6.147 -2.477 1.440 1.00 0.00 H new ATOM 0 HG23 VAL A1024 -6.393 -4.212 1.749 1.00 0.00 H new ATOM 1662 N ARG A1025 -3.131 -6.040 1.159 1.00 0.00 N ATOM 1663 CA ARG A1025 -3.332 -7.469 1.091 1.00 0.00 C ATOM 1664 C ARG A1025 -2.837 -8.084 2.395 1.00 0.00 C ATOM 1665 O ARG A1025 -1.635 -8.216 2.591 1.00 0.00 O ATOM 1666 CB ARG A1025 -2.559 -8.054 -0.083 1.00 0.00 C ATOM 1667 CG ARG A1025 -3.027 -9.421 -0.534 1.00 0.00 C ATOM 1668 CD ARG A1025 -4.203 -9.346 -1.478 1.00 0.00 C ATOM 1669 NE ARG A1025 -4.631 -10.686 -1.898 1.00 0.00 N ATOM 1670 CZ ARG A1025 -4.485 -11.200 -3.123 1.00 0.00 C ATOM 1671 NH1 ARG A1025 -3.778 -10.563 -4.043 1.00 0.00 N ATOM 1672 NH2 ARG A1025 -5.006 -12.388 -3.407 1.00 0.00 N ATOM 0 H ARG A1025 -2.233 -5.755 1.550 1.00 0.00 H new ATOM 0 HA ARG A1025 -4.390 -7.688 0.948 1.00 0.00 H new ATOM 0 HB2 ARG A1025 -2.629 -7.366 -0.925 1.00 0.00 H new ATOM 0 HB3 ARG A1025 -1.506 -8.118 0.190 1.00 0.00 H new ATOM 0 HG2 ARG A1025 -2.204 -9.940 -1.025 1.00 0.00 H new ATOM 0 HG3 ARG A1025 -3.302 -10.014 0.338 1.00 0.00 H new ATOM 0 HD2 ARG A1025 -5.032 -8.832 -0.991 1.00 0.00 H new ATOM 0 HD3 ARG A1025 -3.933 -8.756 -2.354 1.00 0.00 H new ATOM 0 HE ARG A1025 -5.078 -11.275 -1.195 1.00 0.00 H new ATOM 0 HH11 ARG A1025 -3.338 -9.670 -3.820 1.00 0.00 H new ATOM 0 HH12 ARG A1025 -3.673 -10.965 -4.975 1.00 0.00 H new ATOM 0 HH21 ARG A1025 -5.516 -12.906 -2.691 1.00 0.00 H new ATOM 0 HH22 ARG A1025 -4.896 -12.783 -4.341 1.00 0.00 H new ATOM 1686 N LYS A1026 -3.736 -8.419 3.308 1.00 0.00 N ATOM 1687 CA LYS A1026 -3.307 -9.006 4.563 1.00 0.00 C ATOM 1688 C LYS A1026 -3.091 -10.479 4.291 1.00 0.00 C ATOM 1689 O LYS A1026 -3.766 -11.070 3.434 1.00 0.00 O ATOM 1690 CB LYS A1026 -4.342 -8.766 5.678 1.00 0.00 C ATOM 1691 CG LYS A1026 -3.739 -8.522 7.063 1.00 0.00 C ATOM 1692 CD LYS A1026 -3.295 -9.781 7.795 1.00 0.00 C ATOM 1693 CE LYS A1026 -4.344 -10.265 8.796 1.00 0.00 C ATOM 1694 NZ LYS A1026 -5.620 -10.668 8.168 1.00 0.00 N ATOM 0 H LYS A1026 -4.744 -8.297 3.206 1.00 0.00 H new ATOM 0 HA LYS A1026 -2.386 -8.545 4.921 1.00 0.00 H new ATOM 0 HB2 LYS A1026 -4.956 -7.907 5.407 1.00 0.00 H new ATOM 0 HB3 LYS A1026 -5.006 -9.629 5.732 1.00 0.00 H new ATOM 0 HG2 LYS A1026 -2.881 -7.857 6.959 1.00 0.00 H new ATOM 0 HG3 LYS A1026 -4.473 -8.001 7.677 1.00 0.00 H new ATOM 0 HD2 LYS A1026 -3.095 -10.570 7.070 1.00 0.00 H new ATOM 0 HD3 LYS A1026 -2.359 -9.585 8.318 1.00 0.00 H new ATOM 0 HE2 LYS A1026 -3.940 -11.110 9.353 1.00 0.00 H new ATOM 0 HE3 LYS A1026 -4.539 -9.472 9.518 1.00 0.00 H new ATOM 0 HZ1 LYS A1026 -6.247 -11.079 8.889 1.00 0.00 H new ATOM 0 HZ2 LYS A1026 -6.077 -9.835 7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A1026 -5.435 -11.374 7.427 1.00 0.00 H new ATOM 1708 N ARG A1027 -2.170 -11.079 4.990 1.00 0.00 N ATOM 1709 CA ARG A1027 -1.776 -12.419 4.687 1.00 0.00 C ATOM 1710 C ARG A1027 -1.492 -13.047 6.016 1.00 0.00 C ATOM 1711 O ARG A1027 -1.578 -12.369 7.023 1.00 0.00 O ATOM 1712 CB ARG A1027 -0.518 -12.417 3.784 1.00 0.00 C ATOM 1713 CG ARG A1027 0.789 -12.065 4.490 1.00 0.00 C ATOM 1714 CD ARG A1027 1.904 -11.680 3.524 1.00 0.00 C ATOM 1715 NE ARG A1027 2.182 -12.683 2.505 1.00 0.00 N ATOM 1716 CZ ARG A1027 2.954 -12.443 1.439 1.00 0.00 C ATOM 1717 NH1 ARG A1027 3.618 -11.293 1.331 1.00 0.00 N ATOM 1718 NH2 ARG A1027 3.037 -13.335 0.464 1.00 0.00 N ATOM 0 H ARG A1027 -1.678 -10.656 5.777 1.00 0.00 H new ATOM 0 HA ARG A1027 -2.543 -12.968 4.141 1.00 0.00 H new ATOM 0 HB2 ARG A1027 -0.414 -13.403 3.332 1.00 0.00 H new ATOM 0 HB3 ARG A1027 -0.675 -11.708 2.971 1.00 0.00 H new ATOM 0 HG2 ARG A1027 0.612 -11.239 5.179 1.00 0.00 H new ATOM 0 HG3 ARG A1027 1.113 -12.916 5.089 1.00 0.00 H new ATOM 0 HD2 ARG A1027 1.638 -10.744 3.034 1.00 0.00 H new ATOM 0 HD3 ARG A1027 2.815 -11.494 4.093 1.00 0.00 H new ATOM 0 HE ARG A1027 1.770 -13.610 2.609 1.00 0.00 H new ATOM 0 HH11 ARG A1027 3.540 -10.588 2.064 1.00 0.00 H new ATOM 0 HH12 ARG A1027 4.205 -11.117 0.515 1.00 0.00 H new ATOM 0 HH21 ARG A1027 2.512 -14.207 0.525 1.00 0.00 H new ATOM 0 HH22 ARG A1027 3.626 -13.150 -0.348 1.00 0.00 H new ATOM 1732 N LYS A1028 -1.126 -14.283 6.011 1.00 0.00 N ATOM 1733 CA LYS A1028 -0.740 -14.967 7.218 1.00 0.00 C ATOM 1734 C LYS A1028 0.022 -16.191 6.857 1.00 0.00 C ATOM 1735 O LYS A1028 -0.070 -16.670 5.757 1.00 0.00 O ATOM 1736 CB LYS A1028 -1.910 -15.322 8.138 1.00 0.00 C ATOM 1737 CG LYS A1028 -3.021 -16.109 7.481 1.00 0.00 C ATOM 1738 CD LYS A1028 -4.088 -16.503 8.488 1.00 0.00 C ATOM 1739 CE LYS A1028 -4.567 -15.308 9.292 1.00 0.00 C ATOM 1740 NZ LYS A1028 -5.818 -15.591 10.041 1.00 0.00 N ATOM 0 H LYS A1028 -1.083 -14.859 5.170 1.00 0.00 H new ATOM 0 HA LYS A1028 -0.121 -14.276 7.789 1.00 0.00 H new ATOM 0 HB2 LYS A1028 -1.528 -15.896 8.982 1.00 0.00 H new ATOM 0 HB3 LYS A1028 -2.328 -14.400 8.542 1.00 0.00 H new ATOM 0 HG2 LYS A1028 -3.470 -15.514 6.686 1.00 0.00 H new ATOM 0 HG3 LYS A1028 -2.609 -17.004 7.015 1.00 0.00 H new ATOM 0 HD2 LYS A1028 -4.933 -16.953 7.966 1.00 0.00 H new ATOM 0 HD3 LYS A1028 -3.690 -17.260 9.163 1.00 0.00 H new ATOM 0 HE2 LYS A1028 -3.787 -15.010 9.993 1.00 0.00 H new ATOM 0 HE3 LYS A1028 -4.732 -14.465 8.621 1.00 0.00 H new ATOM 0 HZ1 LYS A1028 -5.801 -15.084 10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A1028 -6.636 -15.274 9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A1028 -5.894 -16.613 10.217 1.00 0.00 H new ATOM 1754 N LYS A1029 0.750 -16.684 7.799 1.00 0.00 N ATOM 1755 CA LYS A1029 1.594 -17.852 7.610 1.00 0.00 C ATOM 1756 C LYS A1029 0.756 -19.077 7.894 1.00 0.00 C ATOM 1757 O LYS A1029 1.087 -20.215 7.545 1.00 0.00 O ATOM 1758 CB LYS A1029 2.728 -17.809 8.618 1.00 0.00 C ATOM 1759 CG LYS A1029 3.802 -18.831 8.376 1.00 0.00 C ATOM 1760 CD LYS A1029 4.807 -18.851 9.513 1.00 0.00 C ATOM 1761 CE LYS A1029 5.339 -17.466 9.784 1.00 0.00 C ATOM 1762 NZ LYS A1029 6.307 -17.434 10.912 1.00 0.00 N ATOM 0 H LYS A1029 0.788 -16.295 8.741 1.00 0.00 H new ATOM 0 HA LYS A1029 1.995 -17.874 6.597 1.00 0.00 H new ATOM 0 HB2 LYS A1029 3.176 -16.816 8.602 1.00 0.00 H new ATOM 0 HB3 LYS A1029 2.318 -17.958 9.617 1.00 0.00 H new ATOM 0 HG2 LYS A1029 3.351 -19.818 8.268 1.00 0.00 H new ATOM 0 HG3 LYS A1029 4.313 -18.610 7.439 1.00 0.00 H new ATOM 0 HD2 LYS A1029 4.336 -19.247 10.413 1.00 0.00 H new ATOM 0 HD3 LYS A1029 5.631 -19.519 9.264 1.00 0.00 H new ATOM 0 HE2 LYS A1029 5.823 -17.085 8.885 1.00 0.00 H new ATOM 0 HE3 LYS A1029 4.506 -16.798 10.006 1.00 0.00 H new ATOM 0 HZ1 LYS A1029 6.667 -16.466 11.034 1.00 0.00 H new ATOM 0 HZ2 LYS A1029 5.832 -17.739 11.786 1.00 0.00 H new ATOM 0 HZ3 LYS A1029 7.100 -18.075 10.707 1.00 0.00 H new ATOM 1776 N ASP A1030 -0.353 -18.778 8.554 1.00 0.00 N ATOM 1777 CA ASP A1030 -1.286 -19.755 9.114 1.00 0.00 C ATOM 1778 C ASP A1030 -0.558 -20.718 10.060 1.00 0.00 C ATOM 1779 O ASP A1030 -1.098 -21.742 10.471 1.00 0.00 O ATOM 1780 CB ASP A1030 -1.992 -20.500 7.977 1.00 0.00 C ATOM 1781 CG ASP A1030 -3.178 -21.311 8.437 1.00 0.00 C ATOM 1782 OD1 ASP A1030 -4.198 -20.709 8.822 1.00 0.00 O ATOM 1783 OD2 ASP A1030 -3.132 -22.552 8.388 1.00 0.00 O ATOM 0 H ASP A1030 -0.642 -17.814 8.722 1.00 0.00 H new ATOM 0 HA ASP A1030 -2.042 -19.237 9.704 1.00 0.00 H new ATOM 0 HB2 ASP A1030 -2.323 -19.778 7.230 1.00 0.00 H new ATOM 0 HB3 ASP A1030 -1.277 -21.161 7.487 1.00 0.00 H new ATOM 1788 N LEU A1031 0.645 -20.304 10.466 1.00 0.00 N ATOM 1789 CA LEU A1031 1.598 -21.093 11.241 1.00 0.00 C ATOM 1790 C LEU A1031 2.070 -22.352 10.481 1.00 0.00 C ATOM 1791 O LEU A1031 3.260 -22.522 10.221 1.00 0.00 O ATOM 1792 CB LEU A1031 1.028 -21.465 12.618 1.00 0.00 C ATOM 1793 CG LEU A1031 2.009 -22.161 13.557 1.00 0.00 C ATOM 1794 CD1 LEU A1031 3.138 -21.219 13.950 1.00 0.00 C ATOM 1795 CD2 LEU A1031 1.291 -22.692 14.788 1.00 0.00 C ATOM 0 H LEU A1031 0.994 -19.369 10.253 1.00 0.00 H new ATOM 0 HA LEU A1031 2.474 -20.463 11.395 1.00 0.00 H new ATOM 0 HB2 LEU A1031 0.667 -20.557 13.102 1.00 0.00 H new ATOM 0 HB3 LEU A1031 0.164 -22.114 12.473 1.00 0.00 H new ATOM 0 HG LEU A1031 2.445 -23.009 13.029 1.00 0.00 H new ATOM 0 HD11 LEU A1031 3.826 -21.735 14.620 1.00 0.00 H new ATOM 0 HD12 LEU A1031 3.673 -20.899 13.056 1.00 0.00 H new ATOM 0 HD13 LEU A1031 2.725 -20.347 14.456 1.00 0.00 H new ATOM 0 HD21 LEU A1031 2.009 -23.184 15.444 1.00 0.00 H new ATOM 0 HD22 LEU A1031 0.821 -21.865 15.320 1.00 0.00 H new ATOM 0 HD23 LEU A1031 0.528 -23.408 14.483 1.00 0.00 H new ATOM 1807 N THR A1032 1.138 -23.193 10.073 1.00 0.00 N ATOM 1808 CA THR A1032 1.453 -24.487 9.502 1.00 0.00 C ATOM 1809 C THR A1032 1.707 -24.500 7.985 1.00 0.00 C ATOM 1810 O THR A1032 1.975 -25.569 7.434 1.00 0.00 O ATOM 1811 CB THR A1032 0.354 -25.492 9.880 1.00 0.00 C ATOM 1812 OG1 THR A1032 -0.929 -24.884 9.690 1.00 0.00 O ATOM 1813 CG2 THR A1032 0.504 -25.930 11.329 1.00 0.00 C ATOM 0 H THR A1032 0.139 -22.996 10.129 1.00 0.00 H new ATOM 0 HA THR A1032 2.411 -24.775 9.934 1.00 0.00 H new ATOM 0 HB THR A1032 0.445 -26.371 9.242 1.00 0.00 H new ATOM 0 HG1 THR A1032 -1.632 -25.523 9.929 1.00 0.00 H new ATOM 0 HG21 THR A1032 -0.283 -26.642 11.577 1.00 0.00 H new ATOM 0 HG22 THR A1032 1.477 -26.402 11.468 1.00 0.00 H new ATOM 0 HG23 THR A1032 0.427 -25.061 11.982 1.00 0.00 H new ATOM 1821 N GLN A1033 1.643 -23.363 7.281 1.00 0.00 N ATOM 1822 CA GLN A1033 2.014 -23.405 5.866 1.00 0.00 C ATOM 1823 C GLN A1033 3.524 -23.475 5.719 1.00 0.00 C ATOM 1824 O GLN A1033 4.047 -23.824 4.659 1.00 0.00 O ATOM 1825 CB GLN A1033 1.432 -22.270 5.018 1.00 0.00 C ATOM 1826 CG GLN A1033 -0.029 -22.484 4.659 1.00 0.00 C ATOM 1827 CD GLN A1033 -0.511 -21.582 3.536 1.00 0.00 C ATOM 1828 OE1 GLN A1033 0.262 -21.180 2.658 1.00 0.00 O ATOM 1829 NE2 GLN A1033 -1.790 -21.283 3.529 1.00 0.00 N ATOM 0 H GLN A1033 1.355 -22.454 7.642 1.00 0.00 H new ATOM 0 HA GLN A1033 1.561 -24.313 5.469 1.00 0.00 H new ATOM 0 HB2 GLN A1033 1.533 -21.330 5.561 1.00 0.00 H new ATOM 0 HB3 GLN A1033 2.015 -22.173 4.102 1.00 0.00 H new ATOM 0 HG2 GLN A1033 -0.176 -23.524 4.368 1.00 0.00 H new ATOM 0 HG3 GLN A1033 -0.642 -22.311 5.543 1.00 0.00 H new ATOM 0 HE21 GLN A1033 -2.399 -21.632 4.269 1.00 0.00 H new ATOM 0 HE22 GLN A1033 -2.174 -20.702 2.784 1.00 0.00 H new