USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=26 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= 0.327 USER MOD Set 1.2: A1017 THR OG1 : rot 134:sc= 0.176 USER MOD Set 2.1: A 936 GLN : amide:sc= 0.996 K(o=2.2,f=-6.6!) USER MOD Set 2.2: A 953 TYR OH : rot 66:sc= 1.17 USER MOD Set 3.1: A 937 ASN :FLIP amide:sc= -0.0416 F(o=-0.87!,f=0.95) USER MOD Set 3.2: A 954 THR OG1 : rot -123:sc= 0.991 USER MOD Single : A 927 HIS : no HE2:sc= 0.0731 K(o=0.073,f=-0.87) USER MOD Single : A 928 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 931 THR OG1 : rot 180:sc= 0 USER MOD Single : A 935 TYR OH : rot -25:sc= 0.345 USER MOD Single : A 939 SER OG : rot 180:sc= -2.06! USER MOD Single : A 941 TYR OH : rot 180:sc= 0 USER MOD Single : A 947 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 952 THR OG1 : rot 180:sc= -0.0775 USER MOD Single : A 957 ASN : amide:sc= -0.913 K(o=-0.91,f=-12!) USER MOD Single : A 960 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 963 SER OG : rot 180:sc= 0 USER MOD Single : A 965 SER OG : rot 180:sc= 0.0681 USER MOD Single : A 968 THR OG1 : rot -75:sc= 0.0743 USER MOD Single : A 969 CYS SG : rot 32:sc= 0.0535 USER MOD Single : A 981 SER OG : rot 180:sc= 0 USER MOD Single : A 982 TYR OH : rot 180:sc= 0 USER MOD Single : A 985 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.56) USER MOD Single : A 991 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 995 TYR OH : rot 180:sc= 0 USER MOD Single : A1003 HIS : no HD1:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A1004 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1013 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1014 MET CE :methyl 158:sc= -0.175 (180deg=-0.733) USER MOD Single : A1015 TYR OH : rot 180:sc= 0 USER MOD Single : A1016 HIS : no HE2:sc= -8.45! C(o=-8.4!,f=-14!) USER MOD Single : A1018 HIS : no HD1:sc= -0.418 X(o=-0.42,f=0.072) USER MOD Single : A1026 LYS NZ :NH3+ -170:sc= 0.96 (180deg=0.895) USER MOD Single : A1028 LYS NZ :NH3+ 174:sc= 1.16 (180deg=1.14) USER MOD Single : A1029 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1032 THR OG1 : rot -131:sc= 1.33 USER MOD Single : A1033 GLN : amide:sc= -3.14! C(o=-3.1!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 121 N HIS A 927 -1.237 -19.109 13.770 1.00 0.00 N ATOM 122 CA HIS A 927 -0.737 -18.969 12.416 1.00 0.00 C ATOM 123 C HIS A 927 0.390 -17.980 12.502 1.00 0.00 C ATOM 124 O HIS A 927 1.109 -17.891 13.500 1.00 0.00 O ATOM 125 CB HIS A 927 -1.762 -18.355 11.441 1.00 0.00 C ATOM 126 CG HIS A 927 -3.137 -18.917 11.512 1.00 0.00 C ATOM 127 ND1 HIS A 927 -3.477 -20.175 11.067 1.00 0.00 N ATOM 128 CD2 HIS A 927 -4.271 -18.368 11.990 1.00 0.00 C ATOM 129 CE1 HIS A 927 -4.762 -20.373 11.269 1.00 0.00 C ATOM 130 NE2 HIS A 927 -5.265 -19.294 11.828 1.00 0.00 N ATOM 0 HA HIS A 927 -0.470 -19.959 12.046 1.00 0.00 H new ATOM 0 HB2 HIS A 927 -1.818 -17.283 11.629 1.00 0.00 H new ATOM 0 HB3 HIS A 927 -1.390 -18.482 10.424 1.00 0.00 H new ATOM 0 HD1 HIS A 927 -2.834 -20.847 10.647 1.00 0.00 H new ATOM 0 HD2 HIS A 927 -4.375 -17.383 12.420 1.00 0.00 H new ATOM 0 HE1 HIS A 927 -5.310 -21.269 11.018 1.00 0.00 H new ATOM 139 N THR A 928 0.530 -17.246 11.443 1.00 0.00 N ATOM 140 CA THR A 928 1.352 -16.097 11.386 1.00 0.00 C ATOM 141 C THR A 928 0.826 -15.373 10.192 1.00 0.00 C ATOM 142 O THR A 928 0.661 -15.990 9.146 1.00 0.00 O ATOM 143 CB THR A 928 2.833 -16.384 11.141 1.00 0.00 C ATOM 144 OG1 THR A 928 3.233 -17.599 11.798 1.00 0.00 O ATOM 145 CG2 THR A 928 3.677 -15.238 11.668 1.00 0.00 C ATOM 0 H THR A 928 0.052 -17.446 10.564 1.00 0.00 H new ATOM 0 HA THR A 928 1.316 -15.565 12.337 1.00 0.00 H new ATOM 0 HB THR A 928 2.983 -16.493 10.067 1.00 0.00 H new ATOM 0 HG1 THR A 928 4.184 -17.765 11.628 1.00 0.00 H new ATOM 0 HG21 THR A 928 4.731 -15.450 11.490 1.00 0.00 H new ATOM 0 HG22 THR A 928 3.401 -14.317 11.155 1.00 0.00 H new ATOM 0 HG23 THR A 928 3.506 -15.123 12.738 1.00 0.00 H new ATOM 153 N GLU A 929 0.447 -14.157 10.366 1.00 0.00 N ATOM 154 CA GLU A 929 -0.044 -13.377 9.270 1.00 0.00 C ATOM 155 C GLU A 929 0.205 -11.905 9.548 1.00 0.00 C ATOM 156 O GLU A 929 0.211 -11.483 10.704 1.00 0.00 O ATOM 157 CB GLU A 929 -1.528 -13.672 9.020 1.00 0.00 C ATOM 158 CG GLU A 929 -2.475 -13.192 10.088 1.00 0.00 C ATOM 159 CD GLU A 929 -2.286 -13.827 11.450 1.00 0.00 C ATOM 160 OE1 GLU A 929 -2.396 -15.064 11.571 1.00 0.00 O ATOM 161 OE2 GLU A 929 -2.024 -13.091 12.424 1.00 0.00 O ATOM 0 H GLU A 929 0.465 -13.671 11.263 1.00 0.00 H new ATOM 0 HA GLU A 929 0.491 -13.646 8.359 1.00 0.00 H new ATOM 0 HB2 GLU A 929 -1.816 -13.217 8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 929 -1.652 -14.749 8.907 1.00 0.00 H new ATOM 0 HG2 GLU A 929 -2.365 -12.112 10.190 1.00 0.00 H new ATOM 0 HG3 GLU A 929 -3.496 -13.379 9.756 1.00 0.00 H new ATOM 168 N PHE A 930 0.476 -11.157 8.514 1.00 0.00 N ATOM 169 CA PHE A 930 0.734 -9.737 8.623 1.00 0.00 C ATOM 170 C PHE A 930 0.081 -9.047 7.432 1.00 0.00 C ATOM 171 O PHE A 930 0.005 -9.628 6.353 1.00 0.00 O ATOM 172 CB PHE A 930 2.256 -9.504 8.644 1.00 0.00 C ATOM 173 CG PHE A 930 2.683 -8.071 8.786 1.00 0.00 C ATOM 174 CD1 PHE A 930 2.526 -7.401 9.987 1.00 0.00 C ATOM 175 CD2 PHE A 930 3.243 -7.394 7.716 1.00 0.00 C ATOM 176 CE1 PHE A 930 2.920 -6.083 10.118 1.00 0.00 C ATOM 177 CE2 PHE A 930 3.638 -6.076 7.840 1.00 0.00 C ATOM 178 CZ PHE A 930 3.475 -5.420 9.043 1.00 0.00 C ATOM 0 H PHE A 930 0.526 -11.514 7.560 1.00 0.00 H new ATOM 0 HA PHE A 930 0.318 -9.326 9.543 1.00 0.00 H new ATOM 0 HB2 PHE A 930 2.684 -10.077 9.467 1.00 0.00 H new ATOM 0 HB3 PHE A 930 2.681 -9.903 7.723 1.00 0.00 H new ATOM 0 HD1 PHE A 930 2.090 -7.914 10.832 1.00 0.00 H new ATOM 0 HD2 PHE A 930 3.373 -7.903 6.772 1.00 0.00 H new ATOM 0 HE1 PHE A 930 2.794 -5.572 11.061 1.00 0.00 H new ATOM 0 HE2 PHE A 930 4.074 -5.560 6.997 1.00 0.00 H new ATOM 0 HZ PHE A 930 3.781 -4.389 9.143 1.00 0.00 H new ATOM 188 N THR A 931 -0.454 -7.862 7.635 1.00 0.00 N ATOM 189 CA THR A 931 -1.051 -7.105 6.545 1.00 0.00 C ATOM 190 C THR A 931 0.046 -6.528 5.649 1.00 0.00 C ATOM 191 O THR A 931 0.917 -5.791 6.122 1.00 0.00 O ATOM 192 CB THR A 931 -1.933 -5.957 7.079 1.00 0.00 C ATOM 193 OG1 THR A 931 -2.863 -6.469 8.047 1.00 0.00 O ATOM 194 CG2 THR A 931 -2.709 -5.282 5.944 1.00 0.00 C ATOM 0 H THR A 931 -0.490 -7.398 8.543 1.00 0.00 H new ATOM 0 HA THR A 931 -1.679 -7.784 5.969 1.00 0.00 H new ATOM 0 HB THR A 931 -1.280 -5.217 7.542 1.00 0.00 H new ATOM 0 HG1 THR A 931 -3.420 -5.737 8.385 1.00 0.00 H new ATOM 0 HG21 THR A 931 -3.322 -4.477 6.350 1.00 0.00 H new ATOM 0 HG22 THR A 931 -2.008 -4.872 5.217 1.00 0.00 H new ATOM 0 HG23 THR A 931 -3.351 -6.015 5.456 1.00 0.00 H new ATOM 202 N ASP A 932 -0.020 -6.803 4.358 1.00 0.00 N ATOM 203 CA ASP A 932 1.011 -6.316 3.464 1.00 0.00 C ATOM 204 C ASP A 932 0.405 -5.113 2.784 1.00 0.00 C ATOM 205 O ASP A 932 -0.824 -4.994 2.740 1.00 0.00 O ATOM 206 CB ASP A 932 1.436 -7.372 2.433 1.00 0.00 C ATOM 207 CG ASP A 932 2.847 -7.140 1.907 1.00 0.00 C ATOM 208 OD1 ASP A 932 3.070 -6.216 1.099 1.00 0.00 O ATOM 209 OD2 ASP A 932 3.776 -7.865 2.337 1.00 0.00 O ATOM 0 H ASP A 932 -0.759 -7.348 3.915 1.00 0.00 H new ATOM 0 HA ASP A 932 1.920 -6.070 4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 932 1.379 -8.361 2.887 1.00 0.00 H new ATOM 0 HB3 ASP A 932 0.735 -7.363 1.599 1.00 0.00 H new ATOM 214 N GLU A 933 1.209 -4.212 2.288 1.00 0.00 N ATOM 215 CA GLU A 933 0.680 -2.990 1.743 1.00 0.00 C ATOM 216 C GLU A 933 1.548 -2.501 0.595 1.00 0.00 C ATOM 217 O GLU A 933 2.742 -2.808 0.521 1.00 0.00 O ATOM 218 CB GLU A 933 0.607 -1.945 2.852 1.00 0.00 C ATOM 219 CG GLU A 933 1.968 -1.490 3.356 1.00 0.00 C ATOM 220 CD GLU A 933 1.881 -0.535 4.516 1.00 0.00 C ATOM 221 OE1 GLU A 933 1.792 -0.999 5.670 1.00 0.00 O ATOM 222 OE2 GLU A 933 1.912 0.688 4.298 1.00 0.00 O ATOM 0 H GLU A 933 2.225 -4.299 2.250 1.00 0.00 H new ATOM 0 HA GLU A 933 -0.321 -3.167 1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 933 0.057 -1.078 2.486 1.00 0.00 H new ATOM 0 HB3 GLU A 933 0.039 -2.354 3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 933 2.548 -2.363 3.655 1.00 0.00 H new ATOM 0 HG3 GLU A 933 2.509 -1.012 2.540 1.00 0.00 H new ATOM 229 N VAL A 934 0.934 -1.786 -0.307 1.00 0.00 N ATOM 230 CA VAL A 934 1.637 -1.161 -1.411 1.00 0.00 C ATOM 231 C VAL A 934 0.984 0.184 -1.624 1.00 0.00 C ATOM 232 O VAL A 934 -0.011 0.480 -0.973 1.00 0.00 O ATOM 233 CB VAL A 934 1.575 -2.046 -2.684 1.00 0.00 C ATOM 234 CG1 VAL A 934 0.162 -2.177 -3.231 1.00 0.00 C ATOM 235 CG2 VAL A 934 2.545 -1.618 -3.785 1.00 0.00 C ATOM 0 H VAL A 934 -0.072 -1.615 -0.304 1.00 0.00 H new ATOM 0 HA VAL A 934 2.697 -1.038 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 934 1.903 -3.030 -2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 934 0.173 -2.806 -4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 934 -0.480 -2.629 -2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 934 -0.221 -1.190 -3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 934 2.441 -2.285 -4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 934 2.320 -0.597 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 934 3.567 -1.667 -3.409 1.00 0.00 H new ATOM 245 N TYR A 935 1.506 0.988 -2.500 1.00 0.00 N ATOM 246 CA TYR A 935 0.968 2.294 -2.741 1.00 0.00 C ATOM 247 C TYR A 935 0.905 2.527 -4.223 1.00 0.00 C ATOM 248 O TYR A 935 1.709 1.996 -4.983 1.00 0.00 O ATOM 249 CB TYR A 935 1.808 3.373 -2.088 1.00 0.00 C ATOM 250 CG TYR A 935 1.714 3.431 -0.574 1.00 0.00 C ATOM 251 CD1 TYR A 935 2.447 2.569 0.231 1.00 0.00 C ATOM 252 CD2 TYR A 935 0.880 4.352 0.048 1.00 0.00 C ATOM 253 CE1 TYR A 935 2.346 2.618 1.608 1.00 0.00 C ATOM 254 CE2 TYR A 935 0.778 4.410 1.425 1.00 0.00 C ATOM 255 CZ TYR A 935 1.511 3.539 2.200 1.00 0.00 C ATOM 256 OH TYR A 935 1.404 3.583 3.572 1.00 0.00 O ATOM 0 H TYR A 935 2.320 0.757 -3.070 1.00 0.00 H new ATOM 0 HA TYR A 935 -0.030 2.344 -2.305 1.00 0.00 H new ATOM 0 HB2 TYR A 935 2.851 3.219 -2.367 1.00 0.00 H new ATOM 0 HB3 TYR A 935 1.509 4.340 -2.493 1.00 0.00 H new ATOM 0 HD1 TYR A 935 3.107 1.848 -0.227 1.00 0.00 H new ATOM 0 HD2 TYR A 935 0.301 5.035 -0.556 1.00 0.00 H new ATOM 0 HE1 TYR A 935 2.920 1.936 2.218 1.00 0.00 H new ATOM 0 HE2 TYR A 935 0.127 5.135 1.891 1.00 0.00 H new ATOM 0 HH TYR A 935 1.632 2.706 3.946 1.00 0.00 H new ATOM 266 N GLN A 936 -0.044 3.317 -4.603 1.00 0.00 N ATOM 267 CA GLN A 936 -0.306 3.647 -5.971 1.00 0.00 C ATOM 268 C GLN A 936 -0.314 5.154 -6.083 1.00 0.00 C ATOM 269 O GLN A 936 -0.999 5.819 -5.309 1.00 0.00 O ATOM 270 CB GLN A 936 -1.650 3.074 -6.356 1.00 0.00 C ATOM 271 CG GLN A 936 -2.152 3.542 -7.695 1.00 0.00 C ATOM 272 CD GLN A 936 -3.571 3.114 -7.899 1.00 0.00 C ATOM 273 OE1 GLN A 936 -3.990 2.053 -7.439 1.00 0.00 O ATOM 274 NE2 GLN A 936 -4.351 3.991 -8.458 1.00 0.00 N ATOM 0 H GLN A 936 -0.683 3.768 -3.948 1.00 0.00 H new ATOM 0 HA GLN A 936 0.451 3.235 -6.638 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -1.581 1.986 -6.365 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -2.380 3.341 -5.592 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -2.080 4.628 -7.758 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -1.525 3.135 -8.488 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -3.961 4.859 -8.827 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -5.353 3.812 -8.528 1.00 0.00 H new ATOM 283 N ASN A 937 0.460 5.680 -7.003 1.00 0.00 N ATOM 284 CA ASN A 937 0.585 7.118 -7.164 1.00 0.00 C ATOM 285 C ASN A 937 0.586 7.568 -8.617 1.00 0.00 C ATOM 286 O ASN A 937 0.996 6.841 -9.524 1.00 0.00 O ATOM 287 CB ASN A 937 1.820 7.703 -6.441 1.00 0.00 C ATOM 288 CG ASN A 937 3.200 7.182 -6.844 1.00 0.00 C ATOM 289 OD1 ASN A 937 3.364 5.897 -7.053 1.00 0.00 O flip ATOM 290 ND2 ASN A 937 4.159 7.946 -6.845 1.00 0.00 N flip ATOM 0 H ASN A 937 1.018 5.133 -7.658 1.00 0.00 H new ATOM 0 HA ASN A 937 -0.313 7.515 -6.690 1.00 0.00 H new ATOM 0 HB2 ASN A 937 1.814 8.783 -6.590 1.00 0.00 H new ATOM 0 HB3 ASN A 937 1.696 7.528 -5.372 1.00 0.00 H new ATOM 0 HD21 ASN A 937 4.017 8.943 -6.681 1.00 0.00 H new ATOM 0 HD22 ASN A 937 5.099 7.585 -7.010 1.00 0.00 H new ATOM 297 N GLU A 938 0.125 8.793 -8.789 1.00 0.00 N ATOM 298 CA GLU A 938 0.046 9.499 -10.059 1.00 0.00 C ATOM 299 C GLU A 938 0.564 10.899 -9.784 1.00 0.00 C ATOM 300 O GLU A 938 0.612 11.313 -8.611 1.00 0.00 O ATOM 301 CB GLU A 938 -1.408 9.588 -10.541 1.00 0.00 C ATOM 302 CG GLU A 938 -2.036 8.254 -10.894 1.00 0.00 C ATOM 303 CD GLU A 938 -3.487 8.396 -11.277 1.00 0.00 C ATOM 304 OE1 GLU A 938 -4.351 8.390 -10.382 1.00 0.00 O ATOM 305 OE2 GLU A 938 -3.802 8.502 -12.482 1.00 0.00 O ATOM 0 H GLU A 938 -0.222 9.352 -8.010 1.00 0.00 H new ATOM 0 HA GLU A 938 0.620 8.984 -10.829 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -2.007 10.063 -9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -1.448 10.237 -11.416 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -1.486 7.802 -11.719 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -1.950 7.577 -10.044 1.00 0.00 H new ATOM 312 N SER A 939 0.955 11.619 -10.807 1.00 0.00 N ATOM 313 CA SER A 939 1.432 12.964 -10.630 1.00 0.00 C ATOM 314 C SER A 939 0.801 13.911 -11.636 1.00 0.00 C ATOM 315 O SER A 939 0.457 13.519 -12.749 1.00 0.00 O ATOM 316 CB SER A 939 2.958 12.985 -10.705 1.00 0.00 C ATOM 317 OG SER A 939 3.423 12.293 -11.856 1.00 0.00 O ATOM 0 H SER A 939 0.951 11.292 -11.773 1.00 0.00 H new ATOM 0 HA SER A 939 1.134 13.317 -9.643 1.00 0.00 H new ATOM 0 HB2 SER A 939 3.310 14.016 -10.730 1.00 0.00 H new ATOM 0 HB3 SER A 939 3.376 12.527 -9.808 1.00 0.00 H new ATOM 0 HG SER A 939 4.402 12.322 -11.882 1.00 0.00 H new ATOM 323 N ARG A 940 0.620 15.139 -11.207 1.00 0.00 N ATOM 324 CA ARG A 940 0.036 16.188 -11.995 1.00 0.00 C ATOM 325 C ARG A 940 0.649 17.496 -11.560 1.00 0.00 C ATOM 326 O ARG A 940 1.282 17.559 -10.505 1.00 0.00 O ATOM 327 CB ARG A 940 -1.472 16.288 -11.796 1.00 0.00 C ATOM 328 CG ARG A 940 -1.905 16.627 -10.381 1.00 0.00 C ATOM 329 CD ARG A 940 -3.350 17.057 -10.372 1.00 0.00 C ATOM 330 NE ARG A 940 -3.709 17.726 -9.131 1.00 0.00 N ATOM 331 CZ ARG A 940 -4.955 17.946 -8.712 1.00 0.00 C ATOM 332 NH1 ARG A 940 -5.987 17.365 -9.311 1.00 0.00 N ATOM 333 NH2 ARG A 940 -5.168 18.733 -7.675 1.00 0.00 N ATOM 0 H ARG A 940 0.885 15.440 -10.269 1.00 0.00 H new ATOM 0 HA ARG A 940 0.227 15.969 -13.045 1.00 0.00 H new ATOM 0 HB2 ARG A 940 -1.864 17.047 -12.473 1.00 0.00 H new ATOM 0 HB3 ARG A 940 -1.926 15.340 -12.083 1.00 0.00 H new ATOM 0 HG2 ARG A 940 -1.771 15.760 -9.734 1.00 0.00 H new ATOM 0 HG3 ARG A 940 -1.278 17.424 -9.981 1.00 0.00 H new ATOM 0 HD2 ARG A 940 -3.535 17.727 -11.212 1.00 0.00 H new ATOM 0 HD3 ARG A 940 -3.989 16.185 -10.513 1.00 0.00 H new ATOM 0 HE ARG A 940 -2.948 18.052 -8.535 1.00 0.00 H new ATOM 0 HH11 ARG A 940 -5.832 16.741 -10.103 1.00 0.00 H new ATOM 0 HH12 ARG A 940 -6.935 17.543 -8.980 1.00 0.00 H new ATOM 0 HH21 ARG A 940 -4.381 19.171 -7.197 1.00 0.00 H new ATOM 0 HH22 ARG A 940 -6.120 18.904 -7.351 1.00 0.00 H new ATOM 347 N TYR A 941 0.533 18.505 -12.395 1.00 0.00 N ATOM 348 CA TYR A 941 0.920 19.855 -12.003 1.00 0.00 C ATOM 349 C TYR A 941 -0.032 20.264 -10.883 1.00 0.00 C ATOM 350 O TYR A 941 -1.117 19.673 -10.774 1.00 0.00 O ATOM 351 CB TYR A 941 0.707 20.845 -13.146 1.00 0.00 C ATOM 352 CG TYR A 941 0.978 20.289 -14.524 1.00 0.00 C ATOM 353 CD1 TYR A 941 2.267 20.180 -15.017 1.00 0.00 C ATOM 354 CD2 TYR A 941 -0.074 19.875 -15.332 1.00 0.00 C ATOM 355 CE1 TYR A 941 2.506 19.672 -16.278 1.00 0.00 C ATOM 356 CE2 TYR A 941 0.154 19.367 -16.593 1.00 0.00 C ATOM 357 CZ TYR A 941 1.443 19.265 -17.061 1.00 0.00 C ATOM 358 OH TYR A 941 1.676 18.755 -18.320 1.00 0.00 O ATOM 0 H TYR A 941 0.176 18.424 -13.347 1.00 0.00 H new ATOM 0 HA TYR A 941 1.971 19.865 -11.714 1.00 0.00 H new ATOM 0 HB2 TYR A 941 -0.322 21.204 -13.110 1.00 0.00 H new ATOM 0 HB3 TYR A 941 1.352 21.709 -12.985 1.00 0.00 H new ATOM 0 HD1 TYR A 941 3.099 20.497 -14.405 1.00 0.00 H new ATOM 0 HD2 TYR A 941 -1.087 19.953 -14.966 1.00 0.00 H new ATOM 0 HE1 TYR A 941 3.517 19.593 -16.650 1.00 0.00 H new ATOM 0 HE2 TYR A 941 -0.675 19.051 -17.210 1.00 0.00 H new ATOM 0 HH TYR A 941 0.823 18.515 -18.739 1.00 0.00 H new ATOM 368 N PRO A 942 0.322 21.239 -10.035 1.00 0.00 N ATOM 369 CA PRO A 942 -0.603 21.736 -9.020 1.00 0.00 C ATOM 370 C PRO A 942 -1.824 22.364 -9.681 1.00 0.00 C ATOM 371 O PRO A 942 -1.781 23.526 -10.095 1.00 0.00 O ATOM 372 CB PRO A 942 0.202 22.799 -8.269 1.00 0.00 C ATOM 373 CG PRO A 942 1.631 22.537 -8.613 1.00 0.00 C ATOM 374 CD PRO A 942 1.628 21.916 -9.979 1.00 0.00 C ATOM 0 HA PRO A 942 -0.971 20.948 -8.364 1.00 0.00 H new ATOM 0 HB2 PRO A 942 -0.096 23.803 -8.571 1.00 0.00 H new ATOM 0 HB3 PRO A 942 0.038 22.728 -7.194 1.00 0.00 H new ATOM 0 HG2 PRO A 942 2.208 23.462 -8.607 1.00 0.00 H new ATOM 0 HG3 PRO A 942 2.091 21.870 -7.884 1.00 0.00 H new ATOM 0 HD2 PRO A 942 1.727 22.667 -10.763 1.00 0.00 H new ATOM 0 HD3 PRO A 942 2.452 21.213 -10.104 1.00 0.00 H new ATOM 382 N GLY A 943 -2.862 21.565 -9.878 1.00 0.00 N ATOM 383 CA GLY A 943 -4.035 22.026 -10.568 1.00 0.00 C ATOM 384 C GLY A 943 -3.950 21.603 -12.022 1.00 0.00 C ATOM 385 O GLY A 943 -3.752 22.443 -12.902 1.00 0.00 O ATOM 0 H GLY A 943 -2.906 20.595 -9.566 1.00 0.00 H new ATOM 0 HA2 GLY A 943 -4.931 21.611 -10.107 1.00 0.00 H new ATOM 0 HA3 GLY A 943 -4.113 23.111 -10.495 1.00 0.00 H new ATOM 389 N GLY A 944 -4.091 20.302 -12.280 1.00 0.00 N ATOM 390 CA GLY A 944 -3.934 19.797 -13.624 1.00 0.00 C ATOM 391 C GLY A 944 -4.573 18.429 -13.827 1.00 0.00 C ATOM 392 O GLY A 944 -5.723 18.192 -13.447 1.00 0.00 O ATOM 0 H GLY A 944 -4.311 19.595 -11.579 1.00 0.00 H new ATOM 0 HA2 GLY A 944 -4.375 20.505 -14.326 1.00 0.00 H new ATOM 0 HA3 GLY A 944 -2.872 19.734 -13.860 1.00 0.00 H new ATOM 396 N ASP A 945 -3.792 17.540 -14.417 1.00 0.00 N ATOM 397 CA ASP A 945 -4.241 16.183 -14.763 1.00 0.00 C ATOM 398 C ASP A 945 -3.175 15.154 -14.429 1.00 0.00 C ATOM 399 O ASP A 945 -2.011 15.324 -14.813 1.00 0.00 O ATOM 400 CB ASP A 945 -4.592 16.075 -16.253 1.00 0.00 C ATOM 401 CG ASP A 945 -5.747 16.950 -16.680 1.00 0.00 C ATOM 402 OD1 ASP A 945 -5.527 18.134 -17.008 1.00 0.00 O ATOM 403 OD2 ASP A 945 -6.898 16.468 -16.723 1.00 0.00 O ATOM 0 H ASP A 945 -2.824 17.730 -14.674 1.00 0.00 H new ATOM 0 HA ASP A 945 -5.134 15.982 -14.171 1.00 0.00 H new ATOM 0 HB2 ASP A 945 -3.714 16.338 -16.842 1.00 0.00 H new ATOM 0 HB3 ASP A 945 -4.832 15.037 -16.484 1.00 0.00 H new ATOM 408 N TRP A 946 -3.563 14.082 -13.739 1.00 0.00 N ATOM 409 CA TRP A 946 -2.632 13.069 -13.310 1.00 0.00 C ATOM 410 C TRP A 946 -2.289 12.140 -14.462 1.00 0.00 C ATOM 411 O TRP A 946 -3.113 11.869 -15.339 1.00 0.00 O ATOM 412 CB TRP A 946 -3.221 12.187 -12.206 1.00 0.00 C ATOM 413 CG TRP A 946 -3.878 12.861 -11.064 1.00 0.00 C ATOM 414 CD1 TRP A 946 -5.199 13.108 -10.902 1.00 0.00 C ATOM 415 CD2 TRP A 946 -3.237 13.305 -9.883 1.00 0.00 C ATOM 416 NE1 TRP A 946 -5.411 13.707 -9.696 1.00 0.00 N ATOM 417 CE2 TRP A 946 -4.222 13.844 -9.049 1.00 0.00 C ATOM 418 CE3 TRP A 946 -1.919 13.311 -9.459 1.00 0.00 C ATOM 419 CZ2 TRP A 946 -3.930 14.383 -7.806 1.00 0.00 C ATOM 420 CZ3 TRP A 946 -1.627 13.841 -8.232 1.00 0.00 C ATOM 421 CH2 TRP A 946 -2.624 14.371 -7.418 1.00 0.00 C ATOM 0 H TRP A 946 -4.530 13.902 -13.468 1.00 0.00 H new ATOM 0 HA TRP A 946 -1.752 13.599 -12.944 1.00 0.00 H new ATOM 0 HB2 TRP A 946 -3.949 11.518 -12.664 1.00 0.00 H new ATOM 0 HB3 TRP A 946 -2.419 11.564 -11.811 1.00 0.00 H new ATOM 0 HD1 TRP A 946 -5.969 12.867 -11.620 1.00 0.00 H new ATOM 0 HE1 TRP A 946 -6.317 14.005 -9.336 1.00 0.00 H new ATOM 0 HE3 TRP A 946 -1.137 12.906 -10.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 946 -4.703 14.794 -7.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 946 -0.603 13.848 -7.888 1.00 0.00 H new ATOM 0 HH2 TRP A 946 -2.356 14.782 -6.456 1.00 0.00 H new ATOM 432 N LYS A 947 -1.091 11.626 -14.404 1.00 0.00 N ATOM 433 CA LYS A 947 -0.581 10.590 -15.276 1.00 0.00 C ATOM 434 C LYS A 947 0.170 9.680 -14.333 1.00 0.00 C ATOM 435 O LYS A 947 0.346 10.090 -13.190 1.00 0.00 O ATOM 436 CB LYS A 947 0.381 11.150 -16.338 1.00 0.00 C ATOM 437 CG LYS A 947 -0.279 12.056 -17.352 1.00 0.00 C ATOM 438 CD LYS A 947 0.691 12.487 -18.441 1.00 0.00 C ATOM 439 CE LYS A 947 -0.017 13.335 -19.483 1.00 0.00 C ATOM 440 NZ LYS A 947 0.876 13.753 -20.583 1.00 0.00 N ATOM 0 H LYS A 947 -0.405 11.931 -13.714 1.00 0.00 H new ATOM 0 HA LYS A 947 -1.378 10.096 -15.831 1.00 0.00 H new ATOM 0 HB2 LYS A 947 1.177 11.702 -15.837 1.00 0.00 H new ATOM 0 HB3 LYS A 947 0.851 10.318 -16.862 1.00 0.00 H new ATOM 0 HG2 LYS A 947 -1.126 11.540 -17.804 1.00 0.00 H new ATOM 0 HG3 LYS A 947 -0.675 12.938 -16.848 1.00 0.00 H new ATOM 0 HD2 LYS A 947 1.512 13.053 -18.001 1.00 0.00 H new ATOM 0 HD3 LYS A 947 1.128 11.608 -18.915 1.00 0.00 H new ATOM 0 HE2 LYS A 947 -0.855 12.772 -19.895 1.00 0.00 H new ATOM 0 HE3 LYS A 947 -0.433 14.220 -19.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 947 0.341 14.328 -21.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 947 1.662 14.314 -20.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 947 1.254 12.911 -21.062 1.00 0.00 H new ATOM 454 N PRO A 948 0.558 8.454 -14.711 1.00 0.00 N ATOM 455 CA PRO A 948 1.402 7.627 -13.851 1.00 0.00 C ATOM 456 C PRO A 948 2.605 8.429 -13.361 1.00 0.00 C ATOM 457 O PRO A 948 3.311 9.042 -14.165 1.00 0.00 O ATOM 458 CB PRO A 948 1.839 6.494 -14.778 1.00 0.00 C ATOM 459 CG PRO A 948 0.719 6.368 -15.749 1.00 0.00 C ATOM 460 CD PRO A 948 0.179 7.757 -15.946 1.00 0.00 C ATOM 0 HA PRO A 948 0.894 7.269 -12.956 1.00 0.00 H new ATOM 0 HB2 PRO A 948 2.777 6.729 -15.280 1.00 0.00 H new ATOM 0 HB3 PRO A 948 1.996 5.566 -14.228 1.00 0.00 H new ATOM 0 HG2 PRO A 948 1.067 5.948 -16.693 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -0.054 5.700 -15.368 1.00 0.00 H new ATOM 0 HD2 PRO A 948 0.612 8.235 -16.825 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -0.902 7.751 -16.087 1.00 0.00 H new ATOM 468 N ALA A 949 2.793 8.416 -12.040 1.00 0.00 N ATOM 469 CA ALA A 949 3.826 9.220 -11.372 1.00 0.00 C ATOM 470 C ALA A 949 5.174 9.086 -12.063 1.00 0.00 C ATOM 471 O ALA A 949 5.786 10.083 -12.459 1.00 0.00 O ATOM 472 CB ALA A 949 3.941 8.834 -9.913 1.00 0.00 C ATOM 0 H ALA A 949 2.235 7.849 -11.401 1.00 0.00 H new ATOM 0 HA ALA A 949 3.521 10.265 -11.437 1.00 0.00 H new ATOM 0 HB1 ALA A 949 4.711 9.440 -9.436 1.00 0.00 H new ATOM 0 HB2 ALA A 949 2.986 9.003 -9.416 1.00 0.00 H new ATOM 0 HB3 ALA A 949 4.209 7.780 -9.835 1.00 0.00 H new ATOM 478 N GLU A 950 5.563 7.836 -12.252 1.00 0.00 N ATOM 479 CA GLU A 950 6.797 7.413 -12.906 1.00 0.00 C ATOM 480 C GLU A 950 6.995 5.962 -12.515 1.00 0.00 C ATOM 481 O GLU A 950 7.446 5.126 -13.297 1.00 0.00 O ATOM 482 CB GLU A 950 8.030 8.255 -12.516 1.00 0.00 C ATOM 483 CG GLU A 950 8.399 8.239 -11.043 1.00 0.00 C ATOM 484 CD GLU A 950 9.657 9.017 -10.770 1.00 0.00 C ATOM 485 OE1 GLU A 950 10.757 8.494 -11.030 1.00 0.00 O ATOM 486 OE2 GLU A 950 9.567 10.160 -10.276 1.00 0.00 O ATOM 0 H GLU A 950 5.000 7.046 -11.938 1.00 0.00 H new ATOM 0 HA GLU A 950 6.703 7.550 -13.983 1.00 0.00 H new ATOM 0 HB2 GLU A 950 8.886 7.900 -13.090 1.00 0.00 H new ATOM 0 HB3 GLU A 950 7.851 9.288 -12.816 1.00 0.00 H new ATOM 0 HG2 GLU A 950 7.579 8.658 -10.459 1.00 0.00 H new ATOM 0 HG3 GLU A 950 8.531 7.208 -10.713 1.00 0.00 H new ATOM 493 N ASP A 951 6.598 5.693 -11.283 1.00 0.00 N ATOM 494 CA ASP A 951 6.567 4.370 -10.705 1.00 0.00 C ATOM 495 C ASP A 951 5.196 4.286 -10.077 1.00 0.00 C ATOM 496 O ASP A 951 4.965 4.912 -9.048 1.00 0.00 O ATOM 497 CB ASP A 951 7.632 4.170 -9.610 1.00 0.00 C ATOM 498 CG ASP A 951 9.032 4.593 -10.004 1.00 0.00 C ATOM 499 OD1 ASP A 951 9.693 3.917 -10.822 1.00 0.00 O ATOM 500 OD2 ASP A 951 9.504 5.624 -9.497 1.00 0.00 O ATOM 0 H ASP A 951 6.279 6.417 -10.640 1.00 0.00 H new ATOM 0 HA ASP A 951 6.770 3.610 -11.460 1.00 0.00 H new ATOM 0 HB2 ASP A 951 7.333 4.731 -8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 951 7.651 3.117 -9.329 1.00 0.00 H new ATOM 505 N THR A 952 4.269 3.608 -10.716 1.00 0.00 N ATOM 506 CA THR A 952 2.885 3.616 -10.266 1.00 0.00 C ATOM 507 C THR A 952 2.714 2.873 -8.937 1.00 0.00 C ATOM 508 O THR A 952 2.072 3.391 -8.011 1.00 0.00 O ATOM 509 CB THR A 952 1.960 3.043 -11.357 1.00 0.00 C ATOM 510 OG1 THR A 952 2.243 3.718 -12.596 1.00 0.00 O ATOM 511 CG2 THR A 952 0.493 3.252 -11.000 1.00 0.00 C ATOM 0 H THR A 952 4.442 3.044 -11.548 1.00 0.00 H new ATOM 0 HA THR A 952 2.598 4.652 -10.086 1.00 0.00 H new ATOM 0 HB THR A 952 2.141 1.972 -11.446 1.00 0.00 H new ATOM 0 HG1 THR A 952 1.663 3.363 -13.302 1.00 0.00 H new ATOM 0 HG21 THR A 952 -0.136 2.838 -11.788 1.00 0.00 H new ATOM 0 HG22 THR A 952 0.273 2.750 -10.058 1.00 0.00 H new ATOM 0 HG23 THR A 952 0.292 4.318 -10.898 1.00 0.00 H new ATOM 519 N TYR A 953 3.302 1.691 -8.818 1.00 0.00 N ATOM 520 CA TYR A 953 3.260 0.970 -7.563 1.00 0.00 C ATOM 521 C TYR A 953 4.601 1.053 -6.854 1.00 0.00 C ATOM 522 O TYR A 953 5.661 0.800 -7.433 1.00 0.00 O ATOM 523 CB TYR A 953 2.728 -0.454 -7.729 1.00 0.00 C ATOM 524 CG TYR A 953 1.221 -0.448 -7.904 1.00 0.00 C ATOM 525 CD1 TYR A 953 0.383 -0.413 -6.794 1.00 0.00 C ATOM 526 CD2 TYR A 953 0.635 -0.445 -9.163 1.00 0.00 C ATOM 527 CE1 TYR A 953 -0.993 -0.376 -6.934 1.00 0.00 C ATOM 528 CE2 TYR A 953 -0.738 -0.412 -9.311 1.00 0.00 C ATOM 529 CZ TYR A 953 -1.546 -0.376 -8.197 1.00 0.00 C ATOM 530 OH TYR A 953 -2.915 -0.344 -8.352 1.00 0.00 O ATOM 0 H TYR A 953 3.807 1.219 -9.568 1.00 0.00 H new ATOM 0 HA TYR A 953 2.536 1.456 -6.910 1.00 0.00 H new ATOM 0 HB2 TYR A 953 3.197 -0.924 -8.593 1.00 0.00 H new ATOM 0 HB3 TYR A 953 2.995 -1.051 -6.857 1.00 0.00 H new ATOM 0 HD1 TYR A 953 0.815 -0.415 -5.804 1.00 0.00 H new ATOM 0 HD2 TYR A 953 1.263 -0.469 -10.041 1.00 0.00 H new ATOM 0 HE1 TYR A 953 -1.629 -0.347 -6.061 1.00 0.00 H new ATOM 0 HE2 TYR A 953 -1.176 -0.414 -10.298 1.00 0.00 H new ATOM 0 HH TYR A 953 -3.262 0.511 -8.021 1.00 0.00 H new ATOM 540 N THR A 954 4.523 1.410 -5.588 1.00 0.00 N ATOM 541 CA THR A 954 5.665 1.819 -4.789 1.00 0.00 C ATOM 542 C THR A 954 5.515 1.360 -3.350 1.00 0.00 C ATOM 543 O THR A 954 4.454 0.877 -2.952 1.00 0.00 O ATOM 544 CB THR A 954 5.751 3.356 -4.833 1.00 0.00 C ATOM 545 OG1 THR A 954 4.425 3.904 -4.714 1.00 0.00 O ATOM 546 CG2 THR A 954 6.388 3.848 -6.126 1.00 0.00 C ATOM 0 H THR A 954 3.643 1.425 -5.072 1.00 0.00 H new ATOM 0 HA THR A 954 6.571 1.367 -5.193 1.00 0.00 H new ATOM 0 HB THR A 954 6.378 3.686 -4.005 1.00 0.00 H new ATOM 0 HG1 THR A 954 4.234 4.471 -5.490 1.00 0.00 H new ATOM 0 HG21 THR A 954 6.431 4.937 -6.119 1.00 0.00 H new ATOM 0 HG22 THR A 954 7.398 3.446 -6.210 1.00 0.00 H new ATOM 0 HG23 THR A 954 5.792 3.514 -6.975 1.00 0.00 H new ATOM 554 N ASP A 955 6.565 1.560 -2.581 1.00 0.00 N ATOM 555 CA ASP A 955 6.581 1.276 -1.156 1.00 0.00 C ATOM 556 C ASP A 955 6.313 2.618 -0.496 1.00 0.00 C ATOM 557 O ASP A 955 6.321 3.624 -1.203 1.00 0.00 O ATOM 558 CB ASP A 955 7.967 0.726 -0.757 1.00 0.00 C ATOM 559 CG ASP A 955 8.136 0.441 0.728 1.00 0.00 C ATOM 560 OD1 ASP A 955 8.491 1.365 1.488 1.00 0.00 O ATOM 561 OD2 ASP A 955 7.945 -0.719 1.160 1.00 0.00 O ATOM 0 H ASP A 955 7.448 1.931 -2.932 1.00 0.00 H new ATOM 0 HA ASP A 955 5.846 0.528 -0.858 1.00 0.00 H new ATOM 0 HB2 ASP A 955 8.151 -0.194 -1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 955 8.729 1.442 -1.064 1.00 0.00 H new ATOM 566 N ALA A 956 6.082 2.670 0.799 1.00 0.00 N ATOM 567 CA ALA A 956 5.818 3.929 1.505 1.00 0.00 C ATOM 568 C ALA A 956 6.853 5.026 1.217 1.00 0.00 C ATOM 569 O ALA A 956 6.509 6.207 1.238 1.00 0.00 O ATOM 570 CB ALA A 956 5.752 3.684 2.998 1.00 0.00 C ATOM 0 H ALA A 956 6.070 1.847 1.401 1.00 0.00 H new ATOM 0 HA ALA A 956 4.860 4.290 1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 956 5.556 4.625 3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 956 4.951 2.977 3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 956 6.702 3.274 3.342 1.00 0.00 H new ATOM 576 N ASN A 957 8.085 4.655 0.895 1.00 0.00 N ATOM 577 CA ASN A 957 9.119 5.653 0.600 1.00 0.00 C ATOM 578 C ASN A 957 9.259 5.932 -0.910 1.00 0.00 C ATOM 579 O ASN A 957 10.113 6.715 -1.324 1.00 0.00 O ATOM 580 CB ASN A 957 10.471 5.250 1.224 1.00 0.00 C ATOM 581 CG ASN A 957 11.070 3.970 0.662 1.00 0.00 C ATOM 582 OD1 ASN A 957 10.910 3.646 -0.509 1.00 0.00 O ATOM 583 ND2 ASN A 957 11.773 3.231 1.488 1.00 0.00 N ATOM 0 H ASN A 957 8.396 3.686 0.830 1.00 0.00 H new ATOM 0 HA ASN A 957 8.797 6.588 1.059 1.00 0.00 H new ATOM 0 HB2 ASN A 957 11.181 6.064 1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 957 10.339 5.133 2.300 1.00 0.00 H new ATOM 0 HD21 ASN A 957 12.201 2.365 1.160 1.00 0.00 H new ATOM 0 HD22 ASN A 957 11.892 3.522 2.458 1.00 0.00 H new ATOM 590 N GLY A 958 8.425 5.293 -1.733 1.00 0.00 N ATOM 591 CA GLY A 958 8.458 5.547 -3.166 1.00 0.00 C ATOM 592 C GLY A 958 9.247 4.522 -3.920 1.00 0.00 C ATOM 593 O GLY A 958 9.373 4.617 -5.137 1.00 0.00 O ATOM 0 H GLY A 958 7.731 4.608 -1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 958 7.438 5.568 -3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 958 8.887 6.533 -3.346 1.00 0.00 H new ATOM 597 N ASP A 959 9.847 3.610 -3.177 1.00 0.00 N ATOM 598 CA ASP A 959 10.589 2.499 -3.760 1.00 0.00 C ATOM 599 C ASP A 959 9.739 1.779 -4.781 1.00 0.00 C ATOM 600 O ASP A 959 8.708 1.209 -4.422 1.00 0.00 O ATOM 601 CB ASP A 959 11.027 1.512 -2.679 1.00 0.00 C ATOM 602 CG ASP A 959 11.848 0.361 -3.218 1.00 0.00 C ATOM 603 OD1 ASP A 959 12.949 0.611 -3.749 1.00 0.00 O ATOM 604 OD2 ASP A 959 11.439 -0.811 -3.062 1.00 0.00 O ATOM 0 H ASP A 959 9.836 3.615 -2.157 1.00 0.00 H new ATOM 0 HA ASP A 959 11.475 2.906 -4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 959 11.609 2.043 -1.926 1.00 0.00 H new ATOM 0 HB3 ASP A 959 10.143 1.116 -2.178 1.00 0.00 H new ATOM 609 N LYS A 960 10.098 1.958 -6.045 1.00 0.00 N ATOM 610 CA LYS A 960 9.488 1.220 -7.149 1.00 0.00 C ATOM 611 C LYS A 960 9.435 -0.254 -6.791 1.00 0.00 C ATOM 612 O LYS A 960 10.461 -0.923 -6.688 1.00 0.00 O ATOM 613 CB LYS A 960 10.289 1.425 -8.444 1.00 0.00 C ATOM 614 CG LYS A 960 9.908 0.501 -9.604 1.00 0.00 C ATOM 615 CD LYS A 960 8.463 0.661 -10.055 1.00 0.00 C ATOM 616 CE LYS A 960 8.145 -0.301 -11.189 1.00 0.00 C ATOM 617 NZ LYS A 960 6.763 -0.136 -11.699 1.00 0.00 N ATOM 0 H LYS A 960 10.819 2.618 -6.337 1.00 0.00 H new ATOM 0 HA LYS A 960 8.477 1.592 -7.315 1.00 0.00 H new ATOM 0 HB2 LYS A 960 10.165 2.458 -8.769 1.00 0.00 H new ATOM 0 HB3 LYS A 960 11.347 1.285 -8.223 1.00 0.00 H new ATOM 0 HG2 LYS A 960 10.568 0.699 -10.448 1.00 0.00 H new ATOM 0 HG3 LYS A 960 10.075 -0.534 -9.304 1.00 0.00 H new ATOM 0 HD2 LYS A 960 7.792 0.476 -9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 960 8.290 1.686 -10.382 1.00 0.00 H new ATOM 0 HE2 LYS A 960 8.851 -0.144 -12.004 1.00 0.00 H new ATOM 0 HE3 LYS A 960 8.282 -1.325 -10.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 960 6.594 -0.813 -12.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 960 6.086 -0.312 -10.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 960 6.638 0.833 -12.056 1.00 0.00 H new ATOM 631 N ALA A 961 8.234 -0.733 -6.582 1.00 0.00 N ATOM 632 CA ALA A 961 8.035 -2.079 -6.123 1.00 0.00 C ATOM 633 C ALA A 961 7.193 -2.837 -7.124 1.00 0.00 C ATOM 634 O ALA A 961 6.825 -2.299 -8.177 1.00 0.00 O ATOM 635 CB ALA A 961 7.373 -2.061 -4.754 1.00 0.00 C ATOM 0 H ALA A 961 7.374 -0.203 -6.725 1.00 0.00 H new ATOM 0 HA ALA A 961 8.997 -2.584 -6.031 1.00 0.00 H new ATOM 0 HB1 ALA A 961 7.223 -3.084 -4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 961 8.011 -1.529 -4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 961 6.409 -1.557 -4.823 1.00 0.00 H new ATOM 641 N ALA A 962 6.932 -4.086 -6.826 1.00 0.00 N ATOM 642 CA ALA A 962 6.082 -4.897 -7.665 1.00 0.00 C ATOM 643 C ALA A 962 4.635 -4.483 -7.463 1.00 0.00 C ATOM 644 O ALA A 962 4.249 -4.067 -6.365 1.00 0.00 O ATOM 645 CB ALA A 962 6.268 -6.371 -7.342 1.00 0.00 C ATOM 0 H ALA A 962 7.298 -4.566 -6.004 1.00 0.00 H new ATOM 0 HA ALA A 962 6.354 -4.745 -8.709 1.00 0.00 H new ATOM 0 HB1 ALA A 962 5.620 -6.969 -7.983 1.00 0.00 H new ATOM 0 HB2 ALA A 962 7.307 -6.653 -7.513 1.00 0.00 H new ATOM 0 HB3 ALA A 962 6.010 -6.550 -6.298 1.00 0.00 H new ATOM 651 N SER A 963 3.849 -4.568 -8.511 1.00 0.00 N ATOM 652 CA SER A 963 2.446 -4.233 -8.433 1.00 0.00 C ATOM 653 C SER A 963 1.714 -5.390 -7.732 1.00 0.00 C ATOM 654 O SER A 963 2.238 -6.498 -7.718 1.00 0.00 O ATOM 655 CB SER A 963 1.929 -4.003 -9.852 1.00 0.00 C ATOM 656 OG SER A 963 2.783 -3.103 -10.556 1.00 0.00 O ATOM 0 H SER A 963 4.161 -4.869 -9.435 1.00 0.00 H new ATOM 0 HA SER A 963 2.275 -3.323 -7.858 1.00 0.00 H new ATOM 0 HB2 SER A 963 1.875 -4.953 -10.384 1.00 0.00 H new ATOM 0 HB3 SER A 963 0.917 -3.600 -9.816 1.00 0.00 H new ATOM 0 HG SER A 963 2.439 -2.968 -11.463 1.00 0.00 H new ATOM 662 N PRO A 964 0.531 -5.155 -7.119 1.00 0.00 N ATOM 663 CA PRO A 964 -0.224 -6.191 -6.366 1.00 0.00 C ATOM 664 C PRO A 964 -0.457 -7.511 -7.115 1.00 0.00 C ATOM 665 O PRO A 964 -0.633 -8.556 -6.492 1.00 0.00 O ATOM 666 CB PRO A 964 -1.558 -5.526 -6.075 1.00 0.00 C ATOM 667 CG PRO A 964 -1.300 -4.060 -6.129 1.00 0.00 C ATOM 668 CD PRO A 964 -0.149 -3.850 -7.072 1.00 0.00 C ATOM 0 HA PRO A 964 0.347 -6.492 -5.488 1.00 0.00 H new ATOM 0 HB2 PRO A 964 -2.309 -5.818 -6.809 1.00 0.00 H new ATOM 0 HB3 PRO A 964 -1.937 -5.821 -5.096 1.00 0.00 H new ATOM 0 HG2 PRO A 964 -2.185 -3.525 -6.475 1.00 0.00 H new ATOM 0 HG3 PRO A 964 -1.062 -3.674 -5.138 1.00 0.00 H new ATOM 0 HD2 PRO A 964 -0.495 -3.547 -8.060 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.519 -3.067 -6.715 1.00 0.00 H new ATOM 676 N SER A 965 -0.455 -7.462 -8.432 1.00 0.00 N ATOM 677 CA SER A 965 -0.597 -8.652 -9.244 1.00 0.00 C ATOM 678 C SER A 965 0.688 -9.481 -9.143 1.00 0.00 C ATOM 679 O SER A 965 0.665 -10.694 -8.907 1.00 0.00 O ATOM 680 CB SER A 965 -0.878 -8.212 -10.674 1.00 0.00 C ATOM 681 OG SER A 965 0.017 -7.168 -11.040 1.00 0.00 O ATOM 0 H SER A 965 -0.355 -6.599 -8.967 1.00 0.00 H new ATOM 0 HA SER A 965 -1.422 -9.277 -8.901 1.00 0.00 H new ATOM 0 HB2 SER A 965 -0.764 -9.057 -11.353 1.00 0.00 H new ATOM 0 HB3 SER A 965 -1.909 -7.868 -10.763 1.00 0.00 H new ATOM 0 HG SER A 965 -0.166 -6.889 -11.961 1.00 0.00 H new ATOM 687 N GLU A 966 1.805 -8.797 -9.343 1.00 0.00 N ATOM 688 CA GLU A 966 3.138 -9.373 -9.192 1.00 0.00 C ATOM 689 C GLU A 966 3.429 -9.748 -7.744 1.00 0.00 C ATOM 690 O GLU A 966 4.228 -10.652 -7.481 1.00 0.00 O ATOM 691 CB GLU A 966 4.202 -8.405 -9.709 1.00 0.00 C ATOM 692 CG GLU A 966 4.064 -8.100 -11.188 1.00 0.00 C ATOM 693 CD GLU A 966 4.088 -9.356 -12.021 1.00 0.00 C ATOM 694 OE1 GLU A 966 5.176 -9.902 -12.277 1.00 0.00 O ATOM 695 OE2 GLU A 966 3.013 -9.836 -12.427 1.00 0.00 O ATOM 0 H GLU A 966 1.814 -7.815 -9.618 1.00 0.00 H new ATOM 0 HA GLU A 966 3.168 -10.286 -9.786 1.00 0.00 H new ATOM 0 HB2 GLU A 966 4.141 -7.474 -9.145 1.00 0.00 H new ATOM 0 HB3 GLU A 966 5.189 -8.827 -9.522 1.00 0.00 H new ATOM 0 HG2 GLU A 966 3.131 -7.565 -11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 966 4.874 -7.440 -11.501 1.00 0.00 H new ATOM 702 N LEU A 967 2.804 -9.041 -6.813 1.00 0.00 N ATOM 703 CA LEU A 967 2.936 -9.340 -5.412 1.00 0.00 C ATOM 704 C LEU A 967 2.299 -10.688 -5.145 1.00 0.00 C ATOM 705 O LEU A 967 1.085 -10.865 -5.241 1.00 0.00 O ATOM 706 CB LEU A 967 2.314 -8.198 -4.603 1.00 0.00 C ATOM 707 CG LEU A 967 3.157 -6.915 -4.602 1.00 0.00 C ATOM 708 CD1 LEU A 967 2.447 -5.781 -3.888 1.00 0.00 C ATOM 709 CD2 LEU A 967 4.512 -7.178 -3.961 1.00 0.00 C ATOM 0 H LEU A 967 2.195 -8.248 -7.016 1.00 0.00 H new ATOM 0 HA LEU A 967 3.980 -9.412 -5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 967 1.327 -7.974 -5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 967 2.170 -8.529 -3.574 1.00 0.00 H new ATOM 0 HG LEU A 967 3.305 -6.612 -5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 967 3.074 -4.890 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 967 1.502 -5.571 -4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 967 2.254 -6.066 -2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 967 5.101 -6.261 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 967 4.370 -7.512 -2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 967 5.037 -7.950 -4.524 1.00 0.00 H new ATOM 721 N THR A 968 3.145 -11.639 -4.840 1.00 0.00 N ATOM 722 CA THR A 968 2.755 -13.012 -4.709 1.00 0.00 C ATOM 723 C THR A 968 3.197 -13.548 -3.359 1.00 0.00 C ATOM 724 O THR A 968 3.749 -12.809 -2.535 1.00 0.00 O ATOM 725 CB THR A 968 3.375 -13.836 -5.860 1.00 0.00 C ATOM 726 OG1 THR A 968 4.753 -13.461 -6.038 1.00 0.00 O ATOM 727 CG2 THR A 968 2.615 -13.621 -7.164 1.00 0.00 C ATOM 0 H THR A 968 4.138 -11.474 -4.674 1.00 0.00 H new ATOM 0 HA THR A 968 1.670 -13.093 -4.769 1.00 0.00 H new ATOM 0 HB THR A 968 3.310 -14.891 -5.596 1.00 0.00 H new ATOM 0 HG1 THR A 968 4.800 -12.590 -6.485 1.00 0.00 H new ATOM 0 HG21 THR A 968 3.075 -14.214 -7.955 1.00 0.00 H new ATOM 0 HG22 THR A 968 1.578 -13.930 -7.036 1.00 0.00 H new ATOM 0 HG23 THR A 968 2.649 -12.566 -7.435 1.00 0.00 H new ATOM 735 N CYS A 969 2.910 -14.796 -3.095 1.00 0.00 N ATOM 736 CA CYS A 969 3.324 -15.383 -1.851 1.00 0.00 C ATOM 737 C CYS A 969 4.653 -16.111 -2.015 1.00 0.00 C ATOM 738 O CYS A 969 4.819 -16.950 -2.906 1.00 0.00 O ATOM 739 CB CYS A 969 2.237 -16.300 -1.304 1.00 0.00 C ATOM 740 SG CYS A 969 1.717 -17.619 -2.423 1.00 0.00 S ATOM 0 H CYS A 969 2.396 -15.419 -3.719 1.00 0.00 H new ATOM 0 HA CYS A 969 3.478 -14.587 -1.122 1.00 0.00 H new ATOM 0 HB2 CYS A 969 2.594 -16.750 -0.378 1.00 0.00 H new ATOM 0 HB3 CYS A 969 1.366 -15.695 -1.050 1.00 0.00 H new ATOM 0 HG CYS A 969 2.723 -17.984 -3.161 1.00 0.00 H new ATOM 746 N PRO A 970 5.638 -15.748 -1.189 1.00 0.00 N ATOM 747 CA PRO A 970 6.965 -16.373 -1.198 1.00 0.00 C ATOM 748 C PRO A 970 6.927 -17.714 -0.476 1.00 0.00 C ATOM 749 O PRO A 970 5.961 -17.980 0.234 1.00 0.00 O ATOM 750 CB PRO A 970 7.792 -15.365 -0.400 1.00 0.00 C ATOM 751 CG PRO A 970 6.832 -14.823 0.588 1.00 0.00 C ATOM 752 CD PRO A 970 5.535 -14.696 -0.163 1.00 0.00 C ATOM 0 HA PRO A 970 7.352 -16.577 -2.196 1.00 0.00 H new ATOM 0 HB2 PRO A 970 8.642 -15.842 0.088 1.00 0.00 H new ATOM 0 HB3 PRO A 970 8.192 -14.580 -1.041 1.00 0.00 H new ATOM 0 HG2 PRO A 970 6.729 -15.489 1.445 1.00 0.00 H new ATOM 0 HG3 PRO A 970 7.163 -13.858 0.972 1.00 0.00 H new ATOM 0 HD2 PRO A 970 4.675 -14.851 0.489 1.00 0.00 H new ATOM 0 HD3 PRO A 970 5.423 -13.708 -0.609 1.00 0.00 H new ATOM 760 N PRO A 971 7.924 -18.597 -0.664 1.00 0.00 N ATOM 761 CA PRO A 971 7.998 -19.847 0.097 1.00 0.00 C ATOM 762 C PRO A 971 8.081 -19.569 1.597 1.00 0.00 C ATOM 763 O PRO A 971 9.129 -19.182 2.124 1.00 0.00 O ATOM 764 CB PRO A 971 9.275 -20.528 -0.412 1.00 0.00 C ATOM 765 CG PRO A 971 10.035 -19.463 -1.128 1.00 0.00 C ATOM 766 CD PRO A 971 9.017 -18.484 -1.639 1.00 0.00 C ATOM 0 HA PRO A 971 7.115 -20.471 -0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 971 9.857 -20.938 0.413 1.00 0.00 H new ATOM 0 HB3 PRO A 971 9.039 -21.357 -1.079 1.00 0.00 H new ATOM 0 HG2 PRO A 971 10.742 -18.974 -0.458 1.00 0.00 H new ATOM 0 HG3 PRO A 971 10.614 -19.885 -1.949 1.00 0.00 H new ATOM 0 HD2 PRO A 971 9.417 -17.471 -1.679 1.00 0.00 H new ATOM 0 HD3 PRO A 971 8.686 -18.736 -2.646 1.00 0.00 H new ATOM 774 N GLY A 972 6.954 -19.714 2.262 1.00 0.00 N ATOM 775 CA GLY A 972 6.869 -19.406 3.661 1.00 0.00 C ATOM 776 C GLY A 972 5.728 -18.457 3.932 1.00 0.00 C ATOM 777 O GLY A 972 5.475 -18.106 5.070 1.00 0.00 O ATOM 0 H GLY A 972 6.083 -20.046 1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 972 6.728 -20.324 4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 972 7.806 -18.961 3.998 1.00 0.00 H new ATOM 781 N TRP A 973 5.059 -18.015 2.873 1.00 0.00 N ATOM 782 CA TRP A 973 3.899 -17.147 2.984 1.00 0.00 C ATOM 783 C TRP A 973 2.854 -17.533 1.959 1.00 0.00 C ATOM 784 O TRP A 973 3.181 -18.010 0.881 1.00 0.00 O ATOM 785 CB TRP A 973 4.270 -15.659 2.908 1.00 0.00 C ATOM 786 CG TRP A 973 4.964 -15.202 4.141 1.00 0.00 C ATOM 787 CD1 TRP A 973 6.302 -15.125 4.317 1.00 0.00 C ATOM 788 CD2 TRP A 973 4.365 -14.842 5.388 1.00 0.00 C ATOM 789 NE1 TRP A 973 6.584 -14.717 5.597 1.00 0.00 N ATOM 790 CE2 TRP A 973 5.409 -14.527 6.272 1.00 0.00 C ATOM 791 CE3 TRP A 973 3.052 -14.747 5.840 1.00 0.00 C ATOM 792 CZ2 TRP A 973 5.178 -14.124 7.585 1.00 0.00 C ATOM 793 CZ3 TRP A 973 2.822 -14.359 7.146 1.00 0.00 C ATOM 794 CH2 TRP A 973 3.880 -14.050 8.005 1.00 0.00 C ATOM 0 H TRP A 973 5.309 -18.251 1.913 1.00 0.00 H new ATOM 0 HA TRP A 973 3.468 -17.291 3.975 1.00 0.00 H new ATOM 0 HB2 TRP A 973 4.912 -15.488 2.044 1.00 0.00 H new ATOM 0 HB3 TRP A 973 3.368 -15.066 2.757 1.00 0.00 H new ATOM 0 HD1 TRP A 973 7.040 -15.351 3.562 1.00 0.00 H new ATOM 0 HE1 TRP A 973 7.518 -14.578 5.982 1.00 0.00 H new ATOM 0 HE3 TRP A 973 2.227 -14.973 5.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 973 5.995 -13.879 8.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 973 1.807 -14.293 7.509 1.00 0.00 H new ATOM 0 HH2 TRP A 973 3.668 -13.747 9.020 1.00 0.00 H new ATOM 805 N GLU A 974 1.615 -17.374 2.349 1.00 0.00 N ATOM 806 CA GLU A 974 0.430 -17.756 1.603 1.00 0.00 C ATOM 807 C GLU A 974 -0.506 -16.550 1.633 1.00 0.00 C ATOM 808 O GLU A 974 -0.290 -15.654 2.427 1.00 0.00 O ATOM 809 CB GLU A 974 -0.186 -18.938 2.373 1.00 0.00 C ATOM 810 CG GLU A 974 -1.522 -19.457 1.895 1.00 0.00 C ATOM 811 CD GLU A 974 -1.433 -20.181 0.567 1.00 0.00 C ATOM 812 OE1 GLU A 974 -1.140 -19.540 -0.461 1.00 0.00 O ATOM 813 OE2 GLU A 974 -1.609 -21.418 0.535 1.00 0.00 O ATOM 0 H GLU A 974 1.387 -16.950 3.248 1.00 0.00 H new ATOM 0 HA GLU A 974 0.627 -18.041 0.569 1.00 0.00 H new ATOM 0 HB2 GLU A 974 0.525 -19.764 2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 974 -0.293 -18.641 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 974 -1.933 -20.133 2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 974 -2.218 -18.623 1.802 1.00 0.00 H new ATOM 820 N TRP A 975 -1.429 -16.415 0.715 1.00 0.00 N ATOM 821 CA TRP A 975 -2.437 -15.376 0.881 1.00 0.00 C ATOM 822 C TRP A 975 -3.670 -15.867 1.634 1.00 0.00 C ATOM 823 O TRP A 975 -4.060 -17.033 1.534 1.00 0.00 O ATOM 824 CB TRP A 975 -2.801 -14.750 -0.465 1.00 0.00 C ATOM 825 CG TRP A 975 -1.643 -14.034 -1.038 1.00 0.00 C ATOM 826 CD1 TRP A 975 -0.807 -14.470 -2.003 1.00 0.00 C ATOM 827 CD2 TRP A 975 -1.168 -12.756 -0.629 1.00 0.00 C ATOM 828 NE1 TRP A 975 0.166 -13.541 -2.218 1.00 0.00 N ATOM 829 CE2 TRP A 975 -0.028 -12.475 -1.384 1.00 0.00 C ATOM 830 CE3 TRP A 975 -1.606 -11.827 0.305 1.00 0.00 C ATOM 831 CZ2 TRP A 975 0.698 -11.297 -1.228 1.00 0.00 C ATOM 832 CZ3 TRP A 975 -0.896 -10.652 0.460 1.00 0.00 C ATOM 833 CH2 TRP A 975 0.247 -10.398 -0.301 1.00 0.00 C ATOM 0 H TRP A 975 -1.512 -16.983 -0.128 1.00 0.00 H new ATOM 0 HA TRP A 975 -1.996 -14.598 1.504 1.00 0.00 H new ATOM 0 HB2 TRP A 975 -3.133 -15.526 -1.155 1.00 0.00 H new ATOM 0 HB3 TRP A 975 -3.635 -14.060 -0.337 1.00 0.00 H new ATOM 0 HD1 TRP A 975 -0.896 -15.411 -2.525 1.00 0.00 H new ATOM 0 HE1 TRP A 975 0.923 -13.627 -2.897 1.00 0.00 H new ATOM 0 HE3 TRP A 975 -2.486 -12.019 0.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 975 1.582 -11.101 -1.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 975 -1.230 -9.919 1.180 1.00 0.00 H new ATOM 0 HH2 TRP A 975 0.786 -9.473 -0.155 1.00 0.00 H new ATOM 844 N GLU A 976 -4.277 -14.950 2.378 1.00 0.00 N ATOM 845 CA GLU A 976 -5.493 -15.229 3.143 1.00 0.00 C ATOM 846 C GLU A 976 -6.617 -14.413 2.516 1.00 0.00 C ATOM 847 O GLU A 976 -7.711 -14.905 2.241 1.00 0.00 O ATOM 848 CB GLU A 976 -5.373 -14.825 4.617 1.00 0.00 C ATOM 849 CG GLU A 976 -6.611 -15.229 5.415 1.00 0.00 C ATOM 850 CD GLU A 976 -6.610 -14.740 6.842 1.00 0.00 C ATOM 851 OE1 GLU A 976 -7.044 -13.602 7.081 1.00 0.00 O ATOM 852 OE2 GLU A 976 -6.176 -15.479 7.741 1.00 0.00 O ATOM 0 H GLU A 976 -3.942 -13.991 2.470 1.00 0.00 H new ATOM 0 HA GLU A 976 -5.679 -16.303 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 976 -4.490 -15.294 5.052 1.00 0.00 H new ATOM 0 HB3 GLU A 976 -5.230 -13.747 4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 976 -7.497 -14.843 4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 976 -6.692 -16.316 5.415 1.00 0.00 H new ATOM 859 N ASP A 977 -6.263 -13.166 2.223 1.00 0.00 N ATOM 860 CA ASP A 977 -7.168 -12.179 1.658 1.00 0.00 C ATOM 861 C ASP A 977 -7.359 -12.413 0.160 1.00 0.00 C ATOM 862 O ASP A 977 -6.544 -13.093 -0.468 1.00 0.00 O ATOM 863 CB ASP A 977 -6.626 -10.786 1.882 1.00 0.00 C ATOM 864 CG ASP A 977 -6.882 -10.205 3.260 1.00 0.00 C ATOM 865 OD1 ASP A 977 -7.541 -10.838 4.109 1.00 0.00 O ATOM 866 OD2 ASP A 977 -6.451 -9.050 3.486 1.00 0.00 O ATOM 0 H ASP A 977 -5.320 -12.809 2.376 1.00 0.00 H new ATOM 0 HA ASP A 977 -8.132 -12.280 2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -5.550 -10.800 1.705 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -7.063 -10.120 1.138 1.00 0.00 H new ATOM 871 N ASP A 978 -8.422 -11.858 -0.412 1.00 0.00 N ATOM 872 CA ASP A 978 -8.759 -12.067 -1.828 1.00 0.00 C ATOM 873 C ASP A 978 -8.035 -11.140 -2.816 1.00 0.00 C ATOM 874 O ASP A 978 -7.316 -11.626 -3.693 1.00 0.00 O ATOM 875 CB ASP A 978 -10.278 -11.957 -2.027 1.00 0.00 C ATOM 876 CG ASP A 978 -10.702 -11.973 -3.489 1.00 0.00 C ATOM 877 OD1 ASP A 978 -10.585 -13.022 -4.154 1.00 0.00 O ATOM 878 OD2 ASP A 978 -11.204 -10.946 -3.980 1.00 0.00 O ATOM 0 H ASP A 978 -9.076 -11.252 0.084 1.00 0.00 H new ATOM 0 HA ASP A 978 -8.405 -13.071 -2.062 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -10.765 -12.782 -1.507 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -10.631 -11.035 -1.565 1.00 0.00 H new ATOM 883 N ALA A 979 -8.164 -9.823 -2.676 1.00 0.00 N ATOM 884 CA ALA A 979 -7.659 -8.904 -3.704 1.00 0.00 C ATOM 885 C ALA A 979 -7.373 -7.536 -3.099 1.00 0.00 C ATOM 886 O ALA A 979 -8.121 -7.082 -2.257 1.00 0.00 O ATOM 887 CB ALA A 979 -8.661 -8.781 -4.847 1.00 0.00 C ATOM 0 H ALA A 979 -8.606 -9.369 -1.876 1.00 0.00 H new ATOM 0 HA ALA A 979 -6.728 -9.308 -4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 979 -8.271 -8.096 -5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 979 -8.823 -9.761 -5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 979 -9.606 -8.398 -4.463 1.00 0.00 H new ATOM 893 N TRP A 980 -6.312 -6.888 -3.554 1.00 0.00 N ATOM 894 CA TRP A 980 -5.857 -5.626 -2.945 1.00 0.00 C ATOM 895 C TRP A 980 -6.883 -4.535 -3.186 1.00 0.00 C ATOM 896 O TRP A 980 -7.359 -4.345 -4.306 1.00 0.00 O ATOM 897 CB TRP A 980 -4.485 -5.151 -3.441 1.00 0.00 C ATOM 898 CG TRP A 980 -3.392 -6.169 -3.297 1.00 0.00 C ATOM 899 CD1 TRP A 980 -3.331 -7.392 -3.899 1.00 0.00 C ATOM 900 CD2 TRP A 980 -2.181 -6.040 -2.540 1.00 0.00 C ATOM 901 NE1 TRP A 980 -2.178 -8.032 -3.549 1.00 0.00 N ATOM 902 CE2 TRP A 980 -1.449 -7.226 -2.728 1.00 0.00 C ATOM 903 CE3 TRP A 980 -1.645 -5.047 -1.719 1.00 0.00 C ATOM 904 CZ2 TRP A 980 -0.213 -7.445 -2.137 1.00 0.00 C ATOM 905 CZ3 TRP A 980 -0.415 -5.265 -1.125 1.00 0.00 C ATOM 906 CH2 TRP A 980 0.290 -6.453 -1.339 1.00 0.00 C ATOM 0 H TRP A 980 -5.745 -7.205 -4.340 1.00 0.00 H new ATOM 0 HA TRP A 980 -5.749 -5.831 -1.880 1.00 0.00 H new ATOM 0 HB2 TRP A 980 -4.568 -4.870 -4.491 1.00 0.00 H new ATOM 0 HB3 TRP A 980 -4.204 -4.252 -2.892 1.00 0.00 H new ATOM 0 HD1 TRP A 980 -4.086 -7.795 -4.557 1.00 0.00 H new ATOM 0 HE1 TRP A 980 -1.905 -8.966 -3.854 1.00 0.00 H new ATOM 0 HE3 TRP A 980 -2.181 -4.125 -1.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 980 0.332 -8.363 -2.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 980 0.008 -4.505 -0.485 1.00 0.00 H new ATOM 0 HH2 TRP A 980 1.251 -6.591 -0.865 1.00 0.00 H new ATOM 917 N SER A 981 -7.235 -3.855 -2.129 1.00 0.00 N ATOM 918 CA SER A 981 -8.216 -2.793 -2.178 1.00 0.00 C ATOM 919 C SER A 981 -7.621 -1.572 -1.520 1.00 0.00 C ATOM 920 O SER A 981 -6.630 -1.688 -0.842 1.00 0.00 O ATOM 921 CB SER A 981 -9.493 -3.229 -1.455 1.00 0.00 C ATOM 922 OG SER A 981 -10.057 -4.366 -2.079 1.00 0.00 O ATOM 0 H SER A 981 -6.849 -4.020 -1.199 1.00 0.00 H new ATOM 0 HA SER A 981 -8.477 -2.563 -3.211 1.00 0.00 H new ATOM 0 HB2 SER A 981 -9.268 -3.454 -0.413 1.00 0.00 H new ATOM 0 HB3 SER A 981 -10.214 -2.412 -1.456 1.00 0.00 H new ATOM 0 HG SER A 981 -10.871 -4.631 -1.602 1.00 0.00 H new ATOM 928 N TYR A 982 -8.221 -0.429 -1.690 1.00 0.00 N ATOM 929 CA TYR A 982 -7.682 0.796 -1.115 1.00 0.00 C ATOM 930 C TYR A 982 -7.934 0.813 0.384 1.00 0.00 C ATOM 931 O TYR A 982 -8.967 0.335 0.859 1.00 0.00 O ATOM 932 CB TYR A 982 -8.299 2.029 -1.785 1.00 0.00 C ATOM 933 CG TYR A 982 -9.808 2.057 -1.698 1.00 0.00 C ATOM 934 CD1 TYR A 982 -10.559 1.241 -2.517 1.00 0.00 C ATOM 935 CD2 TYR A 982 -10.469 2.875 -0.796 1.00 0.00 C ATOM 936 CE1 TYR A 982 -11.936 1.222 -2.443 1.00 0.00 C ATOM 937 CE2 TYR A 982 -11.851 2.874 -0.714 1.00 0.00 C ATOM 938 CZ TYR A 982 -12.579 2.040 -1.540 1.00 0.00 C ATOM 939 OH TYR A 982 -13.954 2.001 -1.450 1.00 0.00 O ATOM 0 H TYR A 982 -9.084 -0.307 -2.220 1.00 0.00 H new ATOM 0 HA TYR A 982 -6.607 0.825 -1.292 1.00 0.00 H new ATOM 0 HB2 TYR A 982 -7.897 2.928 -1.318 1.00 0.00 H new ATOM 0 HB3 TYR A 982 -8.001 2.053 -2.833 1.00 0.00 H new ATOM 0 HD1 TYR A 982 -10.059 0.604 -3.231 1.00 0.00 H new ATOM 0 HD2 TYR A 982 -9.898 3.523 -0.147 1.00 0.00 H new ATOM 0 HE1 TYR A 982 -12.506 0.570 -3.088 1.00 0.00 H new ATOM 0 HE2 TYR A 982 -12.355 3.520 -0.010 1.00 0.00 H new ATOM 0 HH TYR A 982 -14.255 2.635 -0.767 1.00 0.00 H new ATOM 949 N ASP A 983 -6.978 1.324 1.123 1.00 0.00 N ATOM 950 CA ASP A 983 -7.073 1.358 2.565 1.00 0.00 C ATOM 951 C ASP A 983 -7.551 2.720 3.021 1.00 0.00 C ATOM 952 O ASP A 983 -6.922 3.742 2.733 1.00 0.00 O ATOM 953 CB ASP A 983 -5.720 1.026 3.196 1.00 0.00 C ATOM 954 CG ASP A 983 -5.736 1.085 4.711 1.00 0.00 C ATOM 955 OD1 ASP A 983 -6.817 0.928 5.309 1.00 0.00 O ATOM 956 OD2 ASP A 983 -4.658 1.271 5.309 1.00 0.00 O ATOM 0 H ASP A 983 -6.119 1.725 0.747 1.00 0.00 H new ATOM 0 HA ASP A 983 -7.795 0.608 2.888 1.00 0.00 H new ATOM 0 HB2 ASP A 983 -5.415 0.028 2.881 1.00 0.00 H new ATOM 0 HB3 ASP A 983 -4.970 1.722 2.820 1.00 0.00 H new ATOM 961 N ILE A 984 -8.655 2.718 3.735 1.00 0.00 N ATOM 962 CA ILE A 984 -9.256 3.932 4.239 1.00 0.00 C ATOM 963 C ILE A 984 -9.205 3.957 5.758 1.00 0.00 C ATOM 964 O ILE A 984 -9.944 4.693 6.410 1.00 0.00 O ATOM 965 CB ILE A 984 -10.708 4.145 3.714 1.00 0.00 C ATOM 966 CG1 ILE A 984 -11.556 2.856 3.713 1.00 0.00 C ATOM 967 CG2 ILE A 984 -10.689 4.757 2.325 1.00 0.00 C ATOM 968 CD1 ILE A 984 -11.921 2.314 5.079 1.00 0.00 C ATOM 0 H ILE A 984 -9.163 1.869 3.983 1.00 0.00 H new ATOM 0 HA ILE A 984 -8.669 4.768 3.857 1.00 0.00 H new ATOM 0 HB ILE A 984 -11.185 4.832 4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -12.476 3.047 3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -11.012 2.084 3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -11.712 4.898 1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -10.181 5.721 2.359 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -10.161 4.092 1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -12.516 1.408 4.964 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -11.012 2.083 5.634 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -12.498 3.061 5.624 1.00 0.00 H new ATOM 980 N ASN A 985 -8.277 3.198 6.313 1.00 0.00 N ATOM 981 CA ASN A 985 -8.082 3.110 7.755 1.00 0.00 C ATOM 982 C ASN A 985 -6.931 4.054 8.119 1.00 0.00 C ATOM 983 O ASN A 985 -6.254 3.910 9.138 1.00 0.00 O ATOM 984 CB ASN A 985 -7.740 1.653 8.114 1.00 0.00 C ATOM 985 CG ASN A 985 -7.636 1.367 9.600 1.00 0.00 C ATOM 986 OD1 ASN A 985 -8.325 1.969 10.423 1.00 0.00 O ATOM 987 ND2 ASN A 985 -6.758 0.450 9.956 1.00 0.00 N ATOM 0 H ASN A 985 -7.631 2.620 5.775 1.00 0.00 H new ATOM 0 HA ASN A 985 -8.976 3.398 8.307 1.00 0.00 H new ATOM 0 HB2 ASN A 985 -8.501 1.001 7.686 1.00 0.00 H new ATOM 0 HB3 ASN A 985 -6.793 1.391 7.642 1.00 0.00 H new ATOM 0 HD21 ASN A 985 -6.633 0.219 10.942 1.00 0.00 H new ATOM 0 HD22 ASN A 985 -6.204 -0.029 9.246 1.00 0.00 H new ATOM 994 N ARG A 986 -6.776 5.080 7.299 1.00 0.00 N ATOM 995 CA ARG A 986 -5.667 6.017 7.374 1.00 0.00 C ATOM 996 C ARG A 986 -6.202 7.400 7.068 1.00 0.00 C ATOM 997 O ARG A 986 -7.402 7.553 6.827 1.00 0.00 O ATOM 998 CB ARG A 986 -4.623 5.677 6.315 1.00 0.00 C ATOM 999 CG ARG A 986 -3.992 4.307 6.435 1.00 0.00 C ATOM 1000 CD ARG A 986 -3.127 4.027 5.222 1.00 0.00 C ATOM 1001 NE ARG A 986 -2.054 5.006 5.074 1.00 0.00 N ATOM 1002 CZ ARG A 986 -1.765 5.646 3.944 1.00 0.00 C ATOM 1003 NH1 ARG A 986 -2.512 5.476 2.863 1.00 0.00 N ATOM 1004 NH2 ARG A 986 -0.745 6.481 3.895 1.00 0.00 N ATOM 0 H ARG A 986 -7.432 5.289 6.546 1.00 0.00 H new ATOM 0 HA ARG A 986 -5.216 5.969 8.365 1.00 0.00 H new ATOM 0 HB2 ARG A 986 -5.088 5.758 5.333 1.00 0.00 H new ATOM 0 HB3 ARG A 986 -3.832 6.426 6.356 1.00 0.00 H new ATOM 0 HG2 ARG A 986 -3.390 4.253 7.342 1.00 0.00 H new ATOM 0 HG3 ARG A 986 -4.768 3.546 6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 986 -2.697 3.029 5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 986 -3.748 4.032 4.326 1.00 0.00 H new ATOM 0 HE ARG A 986 -1.486 5.214 5.895 1.00 0.00 H new ATOM 0 HH11 ARG A 986 -3.317 4.850 2.892 1.00 0.00 H new ATOM 0 HH12 ARG A 986 -2.282 5.971 2.001 1.00 0.00 H new ATOM 0 HH21 ARG A 986 -0.174 6.638 4.726 1.00 0.00 H new ATOM 0 HH22 ARG A 986 -0.527 6.969 3.027 1.00 0.00 H new ATOM 1018 N ALA A 987 -5.326 8.387 7.031 1.00 0.00 N ATOM 1019 CA ALA A 987 -5.716 9.723 6.655 1.00 0.00 C ATOM 1020 C ALA A 987 -5.747 9.813 5.138 1.00 0.00 C ATOM 1021 O ALA A 987 -4.748 10.153 4.487 1.00 0.00 O ATOM 1022 CB ALA A 987 -4.777 10.763 7.251 1.00 0.00 C ATOM 0 H ALA A 987 -4.337 8.283 7.259 1.00 0.00 H new ATOM 0 HA ALA A 987 -6.709 9.934 7.051 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.099 11.760 6.948 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -4.796 10.690 8.338 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -3.763 10.585 6.893 1.00 0.00 H new ATOM 1028 N VAL A 988 -6.877 9.409 4.582 1.00 0.00 N ATOM 1029 CA VAL A 988 -7.094 9.401 3.144 1.00 0.00 C ATOM 1030 C VAL A 988 -8.515 9.831 2.791 1.00 0.00 C ATOM 1031 O VAL A 988 -9.418 9.797 3.631 1.00 0.00 O ATOM 1032 CB VAL A 988 -6.841 8.001 2.522 1.00 0.00 C ATOM 1033 CG1 VAL A 988 -5.368 7.621 2.559 1.00 0.00 C ATOM 1034 CG2 VAL A 988 -7.669 6.942 3.235 1.00 0.00 C ATOM 0 H VAL A 988 -7.676 9.075 5.120 1.00 0.00 H new ATOM 0 HA VAL A 988 -6.378 10.112 2.731 1.00 0.00 H new ATOM 0 HB VAL A 988 -7.146 8.052 1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 988 -5.235 6.635 2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 988 -4.789 8.354 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 988 -5.023 7.602 3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 988 -7.479 5.968 2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 988 -7.395 6.915 4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 988 -8.728 7.184 3.142 1.00 0.00 H new ATOM 1044 N ASP A 989 -8.654 10.302 1.555 1.00 0.00 N ATOM 1045 CA ASP A 989 -9.946 10.629 0.917 1.00 0.00 C ATOM 1046 C ASP A 989 -10.930 9.451 0.986 1.00 0.00 C ATOM 1047 O ASP A 989 -10.550 8.334 1.343 1.00 0.00 O ATOM 1048 CB ASP A 989 -9.646 10.959 -0.558 1.00 0.00 C ATOM 1049 CG ASP A 989 -10.851 11.283 -1.423 1.00 0.00 C ATOM 1050 OD1 ASP A 989 -11.285 12.456 -1.469 1.00 0.00 O ATOM 1051 OD2 ASP A 989 -11.369 10.365 -2.092 1.00 0.00 O ATOM 0 H ASP A 989 -7.855 10.475 0.945 1.00 0.00 H new ATOM 0 HA ASP A 989 -10.410 11.467 1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 989 -8.962 11.807 -0.589 1.00 0.00 H new ATOM 0 HB3 ASP A 989 -9.122 10.112 -1.001 1.00 0.00 H new ATOM 1056 N GLU A 990 -12.192 9.704 0.638 1.00 0.00 N ATOM 1057 CA GLU A 990 -13.239 8.689 0.649 1.00 0.00 C ATOM 1058 C GLU A 990 -12.881 7.484 -0.183 1.00 0.00 C ATOM 1059 O GLU A 990 -13.216 6.350 0.167 1.00 0.00 O ATOM 1060 CB GLU A 990 -14.540 9.264 0.116 1.00 0.00 C ATOM 1061 CG GLU A 990 -15.255 10.139 1.107 1.00 0.00 C ATOM 1062 CD GLU A 990 -16.569 10.650 0.565 1.00 0.00 C ATOM 1063 OE1 GLU A 990 -17.525 9.852 0.446 1.00 0.00 O ATOM 1064 OE2 GLU A 990 -16.672 11.840 0.208 1.00 0.00 O ATOM 0 H GLU A 990 -12.515 10.624 0.340 1.00 0.00 H new ATOM 0 HA GLU A 990 -13.352 8.375 1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 990 -14.331 9.842 -0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 990 -15.198 8.446 -0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 990 -15.435 9.577 2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 990 -14.618 10.984 1.371 1.00 0.00 H new ATOM 1071 N LYS A 991 -12.171 7.723 -1.259 1.00 0.00 N ATOM 1072 CA LYS A 991 -11.803 6.653 -2.150 1.00 0.00 C ATOM 1073 C LYS A 991 -10.385 6.203 -1.862 1.00 0.00 C ATOM 1074 O LYS A 991 -9.787 5.435 -2.621 1.00 0.00 O ATOM 1075 CB LYS A 991 -11.946 7.140 -3.578 1.00 0.00 C ATOM 1076 CG LYS A 991 -13.346 7.638 -3.843 1.00 0.00 C ATOM 1077 CD LYS A 991 -13.492 8.304 -5.185 1.00 0.00 C ATOM 1078 CE LYS A 991 -14.897 8.844 -5.316 1.00 0.00 C ATOM 1079 NZ LYS A 991 -15.101 9.588 -6.582 1.00 0.00 N ATOM 0 H LYS A 991 -11.838 8.646 -1.537 1.00 0.00 H new ATOM 0 HA LYS A 991 -12.458 5.795 -2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 991 -11.230 7.940 -3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 991 -11.708 6.330 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 991 -14.041 6.800 -3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 991 -13.628 8.343 -3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 991 -12.767 9.112 -5.285 1.00 0.00 H new ATOM 0 HD3 LYS A 991 -13.287 7.591 -5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 991 -15.607 8.018 -5.265 1.00 0.00 H new ATOM 0 HE3 LYS A 991 -15.111 9.501 -4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 991 -16.079 9.938 -6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 991 -14.443 10.392 -6.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 991 -14.924 8.956 -7.389 1.00 0.00 H new ATOM 1093 N GLY A 992 -9.883 6.682 -0.738 1.00 0.00 N ATOM 1094 CA GLY A 992 -8.547 6.387 -0.318 1.00 0.00 C ATOM 1095 C GLY A 992 -7.538 7.064 -1.199 1.00 0.00 C ATOM 1096 O GLY A 992 -7.028 6.454 -2.109 1.00 0.00 O ATOM 0 H GLY A 992 -10.399 7.286 -0.098 1.00 0.00 H new ATOM 0 HA2 GLY A 992 -8.408 6.710 0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 992 -8.386 5.309 -0.339 1.00 0.00 H new ATOM 1100 N TRP A 993 -7.275 8.333 -0.958 1.00 0.00 N ATOM 1101 CA TRP A 993 -6.263 9.081 -1.689 1.00 0.00 C ATOM 1102 C TRP A 993 -5.686 10.109 -0.723 1.00 0.00 C ATOM 1103 O TRP A 993 -6.440 10.784 -0.021 1.00 0.00 O ATOM 1104 CB TRP A 993 -6.840 9.809 -2.916 1.00 0.00 C ATOM 1105 CG TRP A 993 -7.334 8.922 -4.026 1.00 0.00 C ATOM 1106 CD1 TRP A 993 -8.631 8.589 -4.298 1.00 0.00 C ATOM 1107 CD2 TRP A 993 -6.538 8.259 -5.019 1.00 0.00 C ATOM 1108 NE1 TRP A 993 -8.688 7.780 -5.407 1.00 0.00 N ATOM 1109 CE2 TRP A 993 -7.422 7.566 -5.869 1.00 0.00 C ATOM 1110 CE3 TRP A 993 -5.168 8.189 -5.276 1.00 0.00 C ATOM 1111 CZ2 TRP A 993 -6.979 6.822 -6.958 1.00 0.00 C ATOM 1112 CZ3 TRP A 993 -4.729 7.447 -6.358 1.00 0.00 C ATOM 1113 CH2 TRP A 993 -5.632 6.778 -7.189 1.00 0.00 C ATOM 0 H TRP A 993 -7.758 8.880 -0.246 1.00 0.00 H new ATOM 0 HA TRP A 993 -5.507 8.389 -2.059 1.00 0.00 H new ATOM 0 HB2 TRP A 993 -7.664 10.441 -2.586 1.00 0.00 H new ATOM 0 HB3 TRP A 993 -6.072 10.470 -3.318 1.00 0.00 H new ATOM 0 HD1 TRP A 993 -9.487 8.914 -3.725 1.00 0.00 H new ATOM 0 HE1 TRP A 993 -9.540 7.400 -5.819 1.00 0.00 H new ATOM 0 HE3 TRP A 993 -4.463 8.705 -4.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 993 -7.674 6.298 -7.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 993 -3.671 7.384 -6.564 1.00 0.00 H new ATOM 0 HH2 TRP A 993 -5.258 6.215 -8.031 1.00 0.00 H new ATOM 1124 N GLU A 994 -4.380 10.214 -0.629 1.00 0.00 N ATOM 1125 CA GLU A 994 -3.752 11.135 0.298 1.00 0.00 C ATOM 1126 C GLU A 994 -3.114 12.331 -0.408 1.00 0.00 C ATOM 1127 O GLU A 994 -2.685 12.248 -1.577 1.00 0.00 O ATOM 1128 CB GLU A 994 -2.762 10.375 1.200 1.00 0.00 C ATOM 1129 CG GLU A 994 -1.814 9.443 0.452 1.00 0.00 C ATOM 1130 CD GLU A 994 -1.178 8.383 1.322 1.00 0.00 C ATOM 1131 OE1 GLU A 994 -0.360 8.701 2.214 1.00 0.00 O ATOM 1132 OE2 GLU A 994 -1.517 7.199 1.155 1.00 0.00 O ATOM 0 H GLU A 994 -3.724 9.668 -1.188 1.00 0.00 H new ATOM 0 HA GLU A 994 -4.527 11.563 0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 994 -2.172 11.099 1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 994 -3.327 9.792 1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 994 -2.362 8.956 -0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 994 -1.027 10.038 -0.011 1.00 0.00 H new ATOM 1139 N TYR A 995 -3.097 13.427 0.355 1.00 0.00 N ATOM 1140 CA TYR A 995 -2.685 14.784 -0.051 1.00 0.00 C ATOM 1141 C TYR A 995 -1.182 14.888 -0.176 1.00 0.00 C ATOM 1142 O TYR A 995 -0.505 15.124 0.810 1.00 0.00 O ATOM 1143 CB TYR A 995 -3.179 15.783 1.015 1.00 0.00 C ATOM 1144 CG TYR A 995 -3.337 17.239 0.589 1.00 0.00 C ATOM 1145 CD1 TYR A 995 -2.401 17.900 -0.202 1.00 0.00 C ATOM 1146 CD2 TYR A 995 -4.464 17.947 0.984 1.00 0.00 C ATOM 1147 CE1 TYR A 995 -2.591 19.220 -0.580 1.00 0.00 C ATOM 1148 CE2 TYR A 995 -4.661 19.259 0.609 1.00 0.00 C ATOM 1149 CZ TYR A 995 -3.723 19.894 -0.169 1.00 0.00 C ATOM 1150 OH TYR A 995 -3.930 21.200 -0.555 1.00 0.00 O ATOM 0 H TYR A 995 -3.387 13.395 1.332 1.00 0.00 H new ATOM 0 HA TYR A 995 -3.120 15.008 -1.025 1.00 0.00 H new ATOM 0 HB2 TYR A 995 -4.143 15.433 1.384 1.00 0.00 H new ATOM 0 HB3 TYR A 995 -2.485 15.751 1.855 1.00 0.00 H new ATOM 0 HD1 TYR A 995 -1.514 17.376 -0.526 1.00 0.00 H new ATOM 0 HD2 TYR A 995 -5.204 17.458 1.600 1.00 0.00 H new ATOM 0 HE1 TYR A 995 -1.856 19.719 -1.194 1.00 0.00 H new ATOM 0 HE2 TYR A 995 -5.549 19.786 0.925 1.00 0.00 H new ATOM 0 HH TYR A 995 -4.776 21.522 -0.179 1.00 0.00 H new ATOM 1160 N GLY A 996 -0.674 14.705 -1.375 1.00 0.00 N ATOM 1161 CA GLY A 996 0.739 14.848 -1.594 1.00 0.00 C ATOM 1162 C GLY A 996 1.040 16.056 -2.421 1.00 0.00 C ATOM 1163 O GLY A 996 0.840 16.082 -3.626 1.00 0.00 O ATOM 0 H GLY A 996 -1.217 14.459 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 996 1.252 14.924 -0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 996 1.124 13.958 -2.092 1.00 0.00 H new ATOM 1167 N ILE A 997 1.459 17.085 -1.768 1.00 0.00 N ATOM 1168 CA ILE A 997 1.817 18.317 -2.411 1.00 0.00 C ATOM 1169 C ILE A 997 3.328 18.496 -2.315 1.00 0.00 C ATOM 1170 O ILE A 997 3.923 18.261 -1.267 1.00 0.00 O ATOM 1171 CB ILE A 997 1.058 19.456 -1.709 1.00 0.00 C ATOM 1172 CG1 ILE A 997 1.678 20.822 -1.962 1.00 0.00 C ATOM 1173 CG2 ILE A 997 0.964 19.177 -0.227 1.00 0.00 C ATOM 1174 CD1 ILE A 997 0.995 21.911 -1.169 1.00 0.00 C ATOM 0 H ILE A 997 1.567 17.101 -0.754 1.00 0.00 H new ATOM 0 HA ILE A 997 1.546 18.318 -3.467 1.00 0.00 H new ATOM 0 HB ILE A 997 0.056 19.488 -2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 997 2.736 20.793 -1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 997 1.618 21.056 -3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 997 0.425 19.988 0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 997 0.432 18.239 -0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 997 1.967 19.102 0.193 1.00 0.00 H new ATOM 0 HD11 ILE A 997 1.471 22.868 -1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -0.057 21.959 -1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 997 1.078 21.693 -0.104 1.00 0.00 H new ATOM 1186 N THR A 998 3.950 18.844 -3.409 1.00 0.00 N ATOM 1187 CA THR A 998 5.383 18.989 -3.460 1.00 0.00 C ATOM 1188 C THR A 998 5.759 20.424 -3.819 1.00 0.00 C ATOM 1189 O THR A 998 5.707 20.812 -4.985 1.00 0.00 O ATOM 1190 CB THR A 998 5.943 18.025 -4.516 1.00 0.00 C ATOM 1191 OG1 THR A 998 5.331 16.738 -4.333 1.00 0.00 O ATOM 1192 CG2 THR A 998 7.449 17.892 -4.388 1.00 0.00 C ATOM 0 H THR A 998 3.478 19.036 -4.293 1.00 0.00 H new ATOM 0 HA THR A 998 5.805 18.756 -2.483 1.00 0.00 H new ATOM 0 HB THR A 998 5.720 18.417 -5.508 1.00 0.00 H new ATOM 0 HG1 THR A 998 5.679 16.112 -5.002 1.00 0.00 H new ATOM 0 HG21 THR A 998 7.819 17.204 -5.148 1.00 0.00 H new ATOM 0 HG22 THR A 998 7.913 18.868 -4.526 1.00 0.00 H new ATOM 0 HG23 THR A 998 7.698 17.508 -3.399 1.00 0.00 H new ATOM 1200 N ILE A 999 6.058 21.231 -2.819 1.00 0.00 N ATOM 1201 CA ILE A 999 6.474 22.592 -3.079 1.00 0.00 C ATOM 1202 C ILE A 999 7.955 22.671 -3.450 1.00 0.00 C ATOM 1203 O ILE A 999 8.807 22.021 -2.830 1.00 0.00 O ATOM 1204 CB ILE A 999 6.074 23.569 -1.937 1.00 0.00 C ATOM 1205 CG1 ILE A 999 6.334 23.008 -0.525 1.00 0.00 C ATOM 1206 CG2 ILE A 999 4.611 23.948 -2.077 1.00 0.00 C ATOM 1207 CD1 ILE A 999 7.784 22.943 -0.105 1.00 0.00 C ATOM 0 H ILE A 999 6.021 20.971 -1.833 1.00 0.00 H new ATOM 0 HA ILE A 999 5.921 22.932 -3.955 1.00 0.00 H new ATOM 0 HB ILE A 999 6.711 24.447 -2.043 1.00 0.00 H new ATOM 0 HG12 ILE A 999 5.793 23.621 0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 999 5.913 22.004 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 999 4.334 24.633 -1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 999 4.451 24.433 -3.040 1.00 0.00 H new ATOM 0 HG23 ILE A 999 3.995 23.051 -2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 999 7.853 22.534 0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 999 8.334 22.303 -0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 999 8.212 23.945 -0.120 1.00 0.00 H new ATOM 1219 N PRO A1000 8.262 23.425 -4.513 1.00 0.00 N ATOM 1220 CA PRO A1000 9.617 23.519 -5.053 1.00 0.00 C ATOM 1221 C PRO A1000 10.585 24.288 -4.155 1.00 0.00 C ATOM 1222 O PRO A1000 10.195 25.254 -3.489 1.00 0.00 O ATOM 1223 CB PRO A1000 9.423 24.245 -6.386 1.00 0.00 C ATOM 1224 CG PRO A1000 8.168 25.030 -6.223 1.00 0.00 C ATOM 1225 CD PRO A1000 7.304 24.262 -5.263 1.00 0.00 C ATOM 0 HA PRO A1000 10.071 22.532 -5.146 1.00 0.00 H new ATOM 0 HB2 PRO A1000 10.269 24.896 -6.607 1.00 0.00 H new ATOM 0 HB3 PRO A1000 9.341 23.538 -7.211 1.00 0.00 H new ATOM 0 HG2 PRO A1000 8.382 26.028 -5.839 1.00 0.00 H new ATOM 0 HG3 PRO A1000 7.664 25.158 -7.181 1.00 0.00 H new ATOM 0 HD2 PRO A1000 6.753 24.929 -4.600 1.00 0.00 H new ATOM 0 HD3 PRO A1000 6.567 23.653 -5.788 1.00 0.00 H new ATOM 1233 N PRO A1001 11.847 23.836 -4.106 1.00 0.00 N ATOM 1234 CA PRO A1001 12.288 22.643 -4.804 1.00 0.00 C ATOM 1235 C PRO A1001 12.225 21.414 -3.929 1.00 0.00 C ATOM 1236 O PRO A1001 12.518 21.458 -2.728 1.00 0.00 O ATOM 1237 CB PRO A1001 13.737 22.929 -5.164 1.00 0.00 C ATOM 1238 CG PRO A1001 14.116 24.136 -4.384 1.00 0.00 C ATOM 1239 CD PRO A1001 12.978 24.477 -3.447 1.00 0.00 C ATOM 0 HA PRO A1001 11.653 22.437 -5.666 1.00 0.00 H new ATOM 0 HB2 PRO A1001 14.377 22.083 -4.912 1.00 0.00 H new ATOM 0 HB3 PRO A1001 13.847 23.104 -6.234 1.00 0.00 H new ATOM 0 HG2 PRO A1001 15.030 23.951 -3.819 1.00 0.00 H new ATOM 0 HG3 PRO A1001 14.319 24.972 -5.054 1.00 0.00 H new ATOM 0 HD2 PRO A1001 13.143 24.084 -2.444 1.00 0.00 H new ATOM 0 HD3 PRO A1001 12.838 25.553 -3.349 1.00 0.00 H new ATOM 1247 N ASP A1002 11.875 20.336 -4.576 1.00 0.00 N ATOM 1248 CA ASP A1002 11.718 19.008 -3.962 1.00 0.00 C ATOM 1249 C ASP A1002 11.068 18.098 -4.989 1.00 0.00 C ATOM 1250 O ASP A1002 10.545 18.581 -6.001 1.00 0.00 O ATOM 1251 CB ASP A1002 10.833 19.045 -2.705 1.00 0.00 C ATOM 1252 CG ASP A1002 11.207 17.971 -1.707 1.00 0.00 C ATOM 1253 OD1 ASP A1002 10.840 16.800 -1.884 1.00 0.00 O ATOM 1254 OD2 ASP A1002 11.915 18.284 -0.728 1.00 0.00 O ATOM 0 H ASP A1002 11.681 20.338 -5.577 1.00 0.00 H new ATOM 0 HA ASP A1002 12.702 18.649 -3.659 1.00 0.00 H new ATOM 0 HB2 ASP A1002 10.919 20.023 -2.232 1.00 0.00 H new ATOM 0 HB3 ASP A1002 9.789 18.921 -2.994 1.00 0.00 H new ATOM 1259 N HIS A1003 11.070 16.806 -4.739 1.00 0.00 N ATOM 1260 CA HIS A1003 10.528 15.836 -5.673 1.00 0.00 C ATOM 1261 C HIS A1003 9.818 14.727 -4.921 1.00 0.00 C ATOM 1262 O HIS A1003 9.720 13.597 -5.405 1.00 0.00 O ATOM 1263 CB HIS A1003 11.642 15.282 -6.587 1.00 0.00 C ATOM 1264 CG HIS A1003 12.858 14.755 -5.878 1.00 0.00 C ATOM 1265 ND1 HIS A1003 14.009 15.488 -5.729 1.00 0.00 N ATOM 1266 CD2 HIS A1003 13.105 13.562 -5.295 1.00 0.00 C ATOM 1267 CE1 HIS A1003 14.910 14.772 -5.093 1.00 0.00 C ATOM 1268 NE2 HIS A1003 14.389 13.596 -4.815 1.00 0.00 N ATOM 0 H HIS A1003 11.446 16.396 -3.884 1.00 0.00 H new ATOM 0 HA HIS A1003 9.796 16.329 -6.312 1.00 0.00 H new ATOM 0 HB2 HIS A1003 11.223 14.482 -7.197 1.00 0.00 H new ATOM 0 HB3 HIS A1003 11.955 16.072 -7.269 1.00 0.00 H new ATOM 0 HD2 HIS A1003 12.417 12.733 -5.220 1.00 0.00 H new ATOM 0 HE1 HIS A1003 15.909 15.095 -4.841 1.00 0.00 H new ATOM 0 HE2 HIS A1003 14.861 12.837 -4.324 1.00 0.00 H new ATOM 1277 N LYS A1004 9.216 15.107 -3.802 1.00 0.00 N ATOM 1278 CA LYS A1004 8.563 14.175 -2.884 1.00 0.00 C ATOM 1279 C LYS A1004 7.639 14.922 -1.939 1.00 0.00 C ATOM 1280 O LYS A1004 8.053 15.887 -1.292 1.00 0.00 O ATOM 1281 CB LYS A1004 9.542 13.401 -1.995 1.00 0.00 C ATOM 1282 CG LYS A1004 10.453 12.426 -2.702 1.00 0.00 C ATOM 1283 CD LYS A1004 11.410 11.782 -1.727 1.00 0.00 C ATOM 1284 CE LYS A1004 10.706 10.826 -0.770 1.00 0.00 C ATOM 1285 NZ LYS A1004 11.664 10.174 0.155 1.00 0.00 N ATOM 0 H LYS A1004 9.165 16.080 -3.500 1.00 0.00 H new ATOM 0 HA LYS A1004 8.029 13.476 -3.528 1.00 0.00 H new ATOM 0 HB2 LYS A1004 10.160 14.120 -1.458 1.00 0.00 H new ATOM 0 HB3 LYS A1004 8.968 12.854 -1.248 1.00 0.00 H new ATOM 0 HG2 LYS A1004 9.858 11.658 -3.195 1.00 0.00 H new ATOM 0 HG3 LYS A1004 11.013 12.944 -3.480 1.00 0.00 H new ATOM 0 HD2 LYS A1004 12.177 11.240 -2.279 1.00 0.00 H new ATOM 0 HD3 LYS A1004 11.918 12.558 -1.154 1.00 0.00 H new ATOM 0 HE2 LYS A1004 9.958 11.372 -0.195 1.00 0.00 H new ATOM 0 HE3 LYS A1004 10.175 10.064 -1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A1004 11.150 9.531 0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A1004 12.363 9.633 -0.393 1.00 0.00 H new ATOM 0 HZ3 LYS A1004 12.152 10.900 0.717 1.00 0.00 H new ATOM 1299 N PRO A1005 6.371 14.546 -1.883 1.00 0.00 N ATOM 1300 CA PRO A1005 5.491 14.997 -0.818 1.00 0.00 C ATOM 1301 C PRO A1005 5.994 14.466 0.512 1.00 0.00 C ATOM 1302 O PRO A1005 6.239 13.265 0.657 1.00 0.00 O ATOM 1303 CB PRO A1005 4.162 14.346 -1.159 1.00 0.00 C ATOM 1304 CG PRO A1005 4.235 14.125 -2.620 1.00 0.00 C ATOM 1305 CD PRO A1005 5.661 13.741 -2.879 1.00 0.00 C ATOM 0 HA PRO A1005 5.429 16.082 -0.737 1.00 0.00 H new ATOM 0 HB2 PRO A1005 4.027 13.408 -0.620 1.00 0.00 H new ATOM 0 HB3 PRO A1005 3.323 14.989 -0.894 1.00 0.00 H new ATOM 0 HG2 PRO A1005 3.550 13.338 -2.936 1.00 0.00 H new ATOM 0 HG3 PRO A1005 3.962 15.025 -3.170 1.00 0.00 H new ATOM 0 HD2 PRO A1005 5.829 12.673 -2.738 1.00 0.00 H new ATOM 0 HD3 PRO A1005 5.971 13.981 -3.896 1.00 0.00 H new ATOM 1313 N LYS A1006 6.189 15.353 1.455 1.00 0.00 N ATOM 1314 CA LYS A1006 6.691 14.984 2.766 1.00 0.00 C ATOM 1315 C LYS A1006 5.556 15.079 3.783 1.00 0.00 C ATOM 1316 O LYS A1006 5.749 14.931 4.992 1.00 0.00 O ATOM 1317 CB LYS A1006 7.853 15.916 3.135 1.00 0.00 C ATOM 1318 CG LYS A1006 7.491 17.391 3.068 1.00 0.00 C ATOM 1319 CD LYS A1006 8.703 18.287 3.258 1.00 0.00 C ATOM 1320 CE LYS A1006 8.314 19.748 3.119 1.00 0.00 C ATOM 1321 NZ LYS A1006 9.472 20.664 3.263 1.00 0.00 N ATOM 0 H LYS A1006 6.007 16.350 1.342 1.00 0.00 H new ATOM 0 HA LYS A1006 7.060 13.958 2.762 1.00 0.00 H new ATOM 0 HB2 LYS A1006 8.193 15.679 4.143 1.00 0.00 H new ATOM 0 HB3 LYS A1006 8.690 15.724 2.463 1.00 0.00 H new ATOM 0 HG2 LYS A1006 7.029 17.607 2.105 1.00 0.00 H new ATOM 0 HG3 LYS A1006 6.750 17.617 3.835 1.00 0.00 H new ATOM 0 HD2 LYS A1006 9.140 18.113 4.241 1.00 0.00 H new ATOM 0 HD3 LYS A1006 9.466 18.037 2.521 1.00 0.00 H new ATOM 0 HE2 LYS A1006 7.850 19.905 2.145 1.00 0.00 H new ATOM 0 HE3 LYS A1006 7.565 19.994 3.872 1.00 0.00 H new ATOM 0 HZ1 LYS A1006 9.151 21.648 3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A1006 9.901 20.536 4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A1006 10.177 20.451 2.529 1.00 0.00 H new ATOM 1335 N SER A1007 4.370 15.305 3.256 1.00 0.00 N ATOM 1336 CA SER A1007 3.170 15.487 4.036 1.00 0.00 C ATOM 1337 C SER A1007 2.003 14.863 3.286 1.00 0.00 C ATOM 1338 O SER A1007 1.925 14.990 2.063 1.00 0.00 O ATOM 1339 CB SER A1007 2.935 16.988 4.249 1.00 0.00 C ATOM 1340 OG SER A1007 1.688 17.264 4.880 1.00 0.00 O ATOM 0 H SER A1007 4.214 15.368 2.250 1.00 0.00 H new ATOM 0 HA SER A1007 3.266 15.006 5.009 1.00 0.00 H new ATOM 0 HB2 SER A1007 3.743 17.396 4.856 1.00 0.00 H new ATOM 0 HB3 SER A1007 2.971 17.498 3.286 1.00 0.00 H new ATOM 0 HG SER A1007 1.587 18.232 4.995 1.00 0.00 H new ATOM 1346 N TRP A1008 1.143 14.171 4.023 1.00 0.00 N ATOM 1347 CA TRP A1008 -0.051 13.526 3.489 1.00 0.00 C ATOM 1348 C TRP A1008 -1.214 13.855 4.402 1.00 0.00 C ATOM 1349 O TRP A1008 -1.057 13.896 5.621 1.00 0.00 O ATOM 1350 CB TRP A1008 0.151 12.016 3.401 1.00 0.00 C ATOM 1351 CG TRP A1008 1.362 11.701 2.629 1.00 0.00 C ATOM 1352 CD1 TRP A1008 2.600 11.500 3.124 1.00 0.00 C ATOM 1353 CD2 TRP A1008 1.462 11.618 1.211 1.00 0.00 C ATOM 1354 NE1 TRP A1008 3.468 11.306 2.104 1.00 0.00 N ATOM 1355 CE2 TRP A1008 2.799 11.358 0.916 1.00 0.00 C ATOM 1356 CE3 TRP A1008 0.549 11.734 0.167 1.00 0.00 C ATOM 1357 CZ2 TRP A1008 3.256 11.213 -0.383 1.00 0.00 C ATOM 1358 CZ3 TRP A1008 1.000 11.589 -1.126 1.00 0.00 C ATOM 1359 CH2 TRP A1008 2.344 11.332 -1.391 1.00 0.00 C ATOM 0 H TRP A1008 1.258 14.040 5.028 1.00 0.00 H new ATOM 0 HA TRP A1008 -0.254 13.891 2.482 1.00 0.00 H new ATOM 0 HB2 TRP A1008 0.232 11.595 4.403 1.00 0.00 H new ATOM 0 HB3 TRP A1008 -0.717 11.554 2.931 1.00 0.00 H new ATOM 0 HD1 TRP A1008 2.859 11.495 4.172 1.00 0.00 H new ATOM 0 HE1 TRP A1008 4.470 11.145 2.208 1.00 0.00 H new ATOM 0 HE3 TRP A1008 -0.493 11.934 0.367 1.00 0.00 H new ATOM 0 HZ2 TRP A1008 4.297 11.013 -0.591 1.00 0.00 H new ATOM 0 HZ3 TRP A1008 0.303 11.676 -1.946 1.00 0.00 H new ATOM 0 HH2 TRP A1008 2.670 11.225 -2.415 1.00 0.00 H new ATOM 1370 N VAL A1009 -2.363 14.110 3.814 1.00 0.00 N ATOM 1371 CA VAL A1009 -3.545 14.546 4.542 1.00 0.00 C ATOM 1372 C VAL A1009 -4.752 13.824 3.949 1.00 0.00 C ATOM 1373 O VAL A1009 -4.714 13.434 2.781 1.00 0.00 O ATOM 1374 CB VAL A1009 -3.736 16.095 4.406 1.00 0.00 C ATOM 1375 CG1 VAL A1009 -5.008 16.588 5.076 1.00 0.00 C ATOM 1376 CG2 VAL A1009 -2.544 16.859 4.966 1.00 0.00 C ATOM 0 H VAL A1009 -2.509 14.021 2.808 1.00 0.00 H new ATOM 0 HA VAL A1009 -3.436 14.311 5.601 1.00 0.00 H new ATOM 0 HB VAL A1009 -3.817 16.289 3.337 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -5.090 17.668 4.951 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -5.871 16.103 4.620 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -4.976 16.347 6.139 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -2.713 17.930 4.854 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -2.422 16.619 6.022 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -1.642 16.575 4.423 1.00 0.00 H new ATOM 1386 N ALA A1010 -5.789 13.624 4.739 1.00 0.00 N ATOM 1387 CA ALA A1010 -7.016 13.042 4.233 1.00 0.00 C ATOM 1388 C ALA A1010 -7.766 14.138 3.513 1.00 0.00 C ATOM 1389 O ALA A1010 -8.390 14.977 4.172 1.00 0.00 O ATOM 1390 CB ALA A1010 -7.861 12.492 5.369 1.00 0.00 C ATOM 0 H ALA A1010 -5.806 13.856 5.732 1.00 0.00 H new ATOM 0 HA ALA A1010 -6.793 12.213 3.561 1.00 0.00 H new ATOM 0 HB1 ALA A1010 -8.777 12.060 4.965 1.00 0.00 H new ATOM 0 HB2 ALA A1010 -7.300 11.723 5.900 1.00 0.00 H new ATOM 0 HB3 ALA A1010 -8.113 13.298 6.058 1.00 0.00 H new ATOM 1396 N ALA A1011 -7.676 14.155 2.185 1.00 0.00 N ATOM 1397 CA ALA A1011 -8.205 15.250 1.388 1.00 0.00 C ATOM 1398 C ALA A1011 -7.899 15.034 -0.090 1.00 0.00 C ATOM 1399 O ALA A1011 -7.252 14.054 -0.471 1.00 0.00 O ATOM 1400 CB ALA A1011 -7.573 16.569 1.825 1.00 0.00 C ATOM 0 H ALA A1011 -7.237 13.414 1.638 1.00 0.00 H new ATOM 0 HA ALA A1011 -9.284 15.284 1.537 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -7.976 17.383 1.222 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -7.799 16.750 2.876 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -6.493 16.517 1.689 1.00 0.00 H new ATOM 1406 N GLU A1012 -8.242 16.048 -0.871 1.00 0.00 N ATOM 1407 CA GLU A1012 -8.006 16.095 -2.297 1.00 0.00 C ATOM 1408 C GLU A1012 -8.375 17.493 -2.748 1.00 0.00 C ATOM 1409 O GLU A1012 -9.544 17.878 -2.819 1.00 0.00 O ATOM 1410 CB GLU A1012 -8.727 15.010 -3.108 1.00 0.00 C ATOM 1411 CG GLU A1012 -7.909 14.564 -4.328 1.00 0.00 C ATOM 1412 CD GLU A1012 -7.603 15.680 -5.295 1.00 0.00 C ATOM 1413 OE1 GLU A1012 -8.432 15.953 -6.187 1.00 0.00 O ATOM 1414 OE2 GLU A1012 -6.535 16.292 -5.162 1.00 0.00 O ATOM 0 H GLU A1012 -8.706 16.883 -0.514 1.00 0.00 H new ATOM 0 HA GLU A1012 -6.956 15.875 -2.488 1.00 0.00 H new ATOM 0 HB2 GLU A1012 -8.922 14.149 -2.468 1.00 0.00 H new ATOM 0 HB3 GLU A1012 -9.695 15.388 -3.439 1.00 0.00 H new ATOM 0 HG2 GLU A1012 -6.972 14.125 -3.985 1.00 0.00 H new ATOM 0 HG3 GLU A1012 -8.455 13.780 -4.853 1.00 0.00 H new ATOM 1421 N LYS A1013 -7.327 18.243 -2.991 1.00 0.00 N ATOM 1422 CA LYS A1013 -7.375 19.657 -3.250 1.00 0.00 C ATOM 1423 C LYS A1013 -6.370 20.029 -4.318 1.00 0.00 C ATOM 1424 O LYS A1013 -5.436 19.278 -4.591 1.00 0.00 O ATOM 1425 CB LYS A1013 -7.053 20.410 -1.969 1.00 0.00 C ATOM 1426 CG LYS A1013 -8.256 20.990 -1.274 1.00 0.00 C ATOM 1427 CD LYS A1013 -7.860 21.664 0.022 1.00 0.00 C ATOM 1428 CE LYS A1013 -9.012 22.439 0.641 1.00 0.00 C ATOM 1429 NZ LYS A1013 -10.146 21.580 1.059 1.00 0.00 N ATOM 0 H LYS A1013 -6.379 17.866 -3.014 1.00 0.00 H new ATOM 0 HA LYS A1013 -8.373 19.923 -3.598 1.00 0.00 H new ATOM 0 HB2 LYS A1013 -6.542 19.735 -1.283 1.00 0.00 H new ATOM 0 HB3 LYS A1013 -6.357 21.217 -2.200 1.00 0.00 H new ATOM 0 HG2 LYS A1013 -8.746 21.711 -1.928 1.00 0.00 H new ATOM 0 HG3 LYS A1013 -8.979 20.200 -1.071 1.00 0.00 H new ATOM 0 HD2 LYS A1013 -7.509 20.912 0.728 1.00 0.00 H new ATOM 0 HD3 LYS A1013 -7.026 22.341 -0.163 1.00 0.00 H new ATOM 0 HE2 LYS A1013 -8.645 22.990 1.507 1.00 0.00 H new ATOM 0 HE3 LYS A1013 -9.371 23.177 -0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A1013 -10.895 22.171 1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A1013 -10.521 21.073 0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A1013 -9.818 20.892 1.767 1.00 0.00 H new ATOM 1443 N MET A1014 -6.520 21.230 -4.812 1.00 0.00 N ATOM 1444 CA MET A1014 -5.771 21.765 -5.942 1.00 0.00 C ATOM 1445 C MET A1014 -4.267 21.600 -5.851 1.00 0.00 C ATOM 1446 O MET A1014 -3.656 21.150 -6.822 1.00 0.00 O ATOM 1447 CB MET A1014 -6.099 23.219 -6.031 1.00 0.00 C ATOM 1448 CG MET A1014 -5.539 23.946 -7.240 1.00 0.00 C ATOM 1449 SD MET A1014 -6.016 25.688 -7.255 1.00 0.00 S ATOM 1450 CE MET A1014 -5.244 26.277 -5.748 1.00 0.00 C ATOM 0 H MET A1014 -7.191 21.896 -4.430 1.00 0.00 H new ATOM 0 HA MET A1014 -6.066 21.198 -6.825 1.00 0.00 H new ATOM 0 HB2 MET A1014 -7.183 23.329 -6.034 1.00 0.00 H new ATOM 0 HB3 MET A1014 -5.731 23.712 -5.131 1.00 0.00 H new ATOM 0 HG2 MET A1014 -4.452 23.867 -7.241 1.00 0.00 H new ATOM 0 HG3 MET A1014 -5.894 23.464 -8.151 1.00 0.00 H new ATOM 0 HE1 MET A1014 -5.107 27.357 -5.808 1.00 0.00 H new ATOM 0 HE2 MET A1014 -5.881 26.039 -4.896 1.00 0.00 H new ATOM 0 HE3 MET A1014 -4.275 25.794 -5.623 1.00 0.00 H new ATOM 1460 N TYR A1015 -3.658 21.929 -4.713 1.00 0.00 N ATOM 1461 CA TYR A1015 -2.205 21.825 -4.569 1.00 0.00 C ATOM 1462 C TYR A1015 -1.659 20.408 -4.716 1.00 0.00 C ATOM 1463 O TYR A1015 -0.455 20.207 -4.586 1.00 0.00 O ATOM 1464 CB TYR A1015 -1.734 22.384 -3.226 1.00 0.00 C ATOM 1465 CG TYR A1015 -2.032 23.847 -2.977 1.00 0.00 C ATOM 1466 CD1 TYR A1015 -1.652 24.833 -3.880 1.00 0.00 C ATOM 1467 CD2 TYR A1015 -2.667 24.242 -1.807 1.00 0.00 C ATOM 1468 CE1 TYR A1015 -1.903 26.168 -3.622 1.00 0.00 C ATOM 1469 CE2 TYR A1015 -2.927 25.567 -1.547 1.00 0.00 C ATOM 1470 CZ TYR A1015 -2.545 26.527 -2.452 1.00 0.00 C ATOM 1471 OH TYR A1015 -2.796 27.850 -2.170 1.00 0.00 O ATOM 0 H TYR A1015 -4.143 22.268 -3.882 1.00 0.00 H new ATOM 0 HA TYR A1015 -1.811 22.419 -5.394 1.00 0.00 H new ATOM 0 HB2 TYR A1015 -2.194 21.799 -2.430 1.00 0.00 H new ATOM 0 HB3 TYR A1015 -0.657 22.235 -3.150 1.00 0.00 H new ATOM 0 HD1 TYR A1015 -1.154 24.552 -4.796 1.00 0.00 H new ATOM 0 HD2 TYR A1015 -2.963 23.494 -1.087 1.00 0.00 H new ATOM 0 HE1 TYR A1015 -1.599 26.925 -4.330 1.00 0.00 H new ATOM 0 HE2 TYR A1015 -3.430 25.852 -0.635 1.00 0.00 H new ATOM 0 HH TYR A1015 -3.255 27.919 -1.307 1.00 0.00 H new ATOM 1481 N HIS A1016 -2.516 19.417 -4.936 1.00 0.00 N ATOM 1482 CA HIS A1016 -2.044 18.058 -5.184 1.00 0.00 C ATOM 1483 C HIS A1016 -1.141 17.977 -6.401 1.00 0.00 C ATOM 1484 O HIS A1016 -1.577 18.192 -7.528 1.00 0.00 O ATOM 1485 CB HIS A1016 -3.222 17.130 -5.384 1.00 0.00 C ATOM 1486 CG HIS A1016 -3.750 16.529 -4.145 1.00 0.00 C ATOM 1487 ND1 HIS A1016 -4.426 17.229 -3.192 1.00 0.00 N ATOM 1488 CD2 HIS A1016 -3.743 15.257 -3.745 1.00 0.00 C ATOM 1489 CE1 HIS A1016 -4.822 16.409 -2.252 1.00 0.00 C ATOM 1490 NE2 HIS A1016 -4.426 15.191 -2.556 1.00 0.00 N ATOM 0 H HIS A1016 -3.530 19.526 -4.948 1.00 0.00 H new ATOM 0 HA HIS A1016 -1.465 17.756 -4.311 1.00 0.00 H new ATOM 0 HB2 HIS A1016 -4.024 17.683 -5.874 1.00 0.00 H new ATOM 0 HB3 HIS A1016 -2.926 16.330 -6.062 1.00 0.00 H new ATOM 0 HD1 HIS A1016 -4.597 18.234 -3.208 1.00 0.00 H new ATOM 0 HD2 HIS A1016 -3.283 14.428 -4.263 1.00 0.00 H new ATOM 0 HE1 HIS A1016 -5.382 16.686 -1.371 1.00 0.00 H new ATOM 1499 N THR A1017 0.114 17.718 -6.145 1.00 0.00 N ATOM 1500 CA THR A1017 1.088 17.485 -7.184 1.00 0.00 C ATOM 1501 C THR A1017 1.212 15.977 -7.367 1.00 0.00 C ATOM 1502 O THR A1017 1.523 15.448 -8.428 1.00 0.00 O ATOM 1503 CB THR A1017 2.437 18.075 -6.739 1.00 0.00 C ATOM 1504 OG1 THR A1017 2.794 17.532 -5.465 1.00 0.00 O ATOM 1505 CG2 THR A1017 2.371 19.591 -6.641 1.00 0.00 C ATOM 0 H THR A1017 0.495 17.662 -5.200 1.00 0.00 H new ATOM 0 HA THR A1017 0.789 17.954 -8.122 1.00 0.00 H new ATOM 0 HB THR A1017 3.188 17.813 -7.484 1.00 0.00 H new ATOM 0 HG1 THR A1017 3.732 17.249 -5.481 1.00 0.00 H new ATOM 0 HG21 THR A1017 3.340 19.978 -6.324 1.00 0.00 H new ATOM 0 HG22 THR A1017 2.115 20.008 -7.615 1.00 0.00 H new ATOM 0 HG23 THR A1017 1.611 19.876 -5.913 1.00 0.00 H new ATOM 1513 N HIS A1018 0.951 15.314 -6.272 1.00 0.00 N ATOM 1514 CA HIS A1018 1.014 13.872 -6.133 1.00 0.00 C ATOM 1515 C HIS A1018 -0.154 13.398 -5.301 1.00 0.00 C ATOM 1516 O HIS A1018 -0.766 14.159 -4.550 1.00 0.00 O ATOM 1517 CB HIS A1018 2.298 13.412 -5.419 1.00 0.00 C ATOM 1518 CG HIS A1018 3.525 13.248 -6.269 1.00 0.00 C ATOM 1519 ND1 HIS A1018 4.468 12.271 -6.029 1.00 0.00 N ATOM 1520 CD2 HIS A1018 3.997 13.966 -7.308 1.00 0.00 C ATOM 1521 CE1 HIS A1018 5.460 12.401 -6.884 1.00 0.00 C ATOM 1522 NE2 HIS A1018 5.205 13.426 -7.671 1.00 0.00 N ATOM 0 H HIS A1018 0.675 15.781 -5.408 1.00 0.00 H new ATOM 0 HA HIS A1018 0.995 13.454 -7.139 1.00 0.00 H new ATOM 0 HB2 HIS A1018 2.524 14.130 -4.631 1.00 0.00 H new ATOM 0 HB3 HIS A1018 2.093 12.459 -4.932 1.00 0.00 H new ATOM 0 HD2 HIS A1018 3.512 14.813 -7.771 1.00 0.00 H new ATOM 0 HE1 HIS A1018 6.337 11.772 -6.932 1.00 0.00 H new ATOM 0 HE2 HIS A1018 5.805 13.762 -8.424 1.00 0.00 H new ATOM 1531 N ARG A1019 -0.506 12.165 -5.480 1.00 0.00 N ATOM 1532 CA ARG A1019 -1.469 11.531 -4.625 1.00 0.00 C ATOM 1533 C ARG A1019 -1.110 10.088 -4.591 1.00 0.00 C ATOM 1534 O ARG A1019 -0.593 9.561 -5.580 1.00 0.00 O ATOM 1535 CB ARG A1019 -2.897 11.665 -5.124 1.00 0.00 C ATOM 1536 CG ARG A1019 -3.174 10.929 -6.420 1.00 0.00 C ATOM 1537 CD ARG A1019 -4.638 10.999 -6.711 1.00 0.00 C ATOM 1538 NE ARG A1019 -5.011 10.383 -7.984 1.00 0.00 N ATOM 1539 CZ ARG A1019 -6.234 10.427 -8.519 1.00 0.00 C ATOM 1540 NH1 ARG A1019 -7.186 11.196 -7.995 1.00 0.00 N ATOM 1541 NH2 ARG A1019 -6.494 9.723 -9.605 1.00 0.00 N ATOM 0 H ARG A1019 -0.138 11.567 -6.220 1.00 0.00 H new ATOM 0 HA ARG A1019 -1.439 12.009 -3.646 1.00 0.00 H new ATOM 0 HB2 ARG A1019 -3.575 11.293 -4.356 1.00 0.00 H new ATOM 0 HB3 ARG A1019 -3.123 12.722 -5.264 1.00 0.00 H new ATOM 0 HG2 ARG A1019 -2.605 11.375 -7.236 1.00 0.00 H new ATOM 0 HG3 ARG A1019 -2.855 9.890 -6.339 1.00 0.00 H new ATOM 0 HD2 ARG A1019 -5.184 10.508 -5.905 1.00 0.00 H new ATOM 0 HD3 ARG A1019 -4.949 12.044 -6.717 1.00 0.00 H new ATOM 0 HE ARG A1019 -4.286 9.885 -8.500 1.00 0.00 H new ATOM 0 HH11 ARG A1019 -6.987 11.764 -7.172 1.00 0.00 H new ATOM 0 HH12 ARG A1019 -8.114 11.217 -8.417 1.00 0.00 H new ATOM 0 HH21 ARG A1019 -5.764 9.151 -10.029 1.00 0.00 H new ATOM 0 HH22 ARG A1019 -7.425 9.751 -10.020 1.00 0.00 H new ATOM 1555 N ARG A1020 -1.321 9.466 -3.478 1.00 0.00 N ATOM 1556 CA ARG A1020 -1.009 8.056 -3.358 1.00 0.00 C ATOM 1557 C ARG A1020 -2.040 7.454 -2.489 1.00 0.00 C ATOM 1558 O ARG A1020 -2.884 8.150 -1.972 1.00 0.00 O ATOM 1559 CB ARG A1020 0.366 7.800 -2.726 1.00 0.00 C ATOM 1560 CG ARG A1020 1.504 8.619 -3.295 1.00 0.00 C ATOM 1561 CD ARG A1020 2.811 8.340 -2.584 1.00 0.00 C ATOM 1562 NE ARG A1020 3.318 7.003 -2.841 1.00 0.00 N ATOM 1563 CZ ARG A1020 4.011 6.296 -1.959 1.00 0.00 C ATOM 1564 NH1 ARG A1020 4.040 6.643 -0.672 1.00 0.00 N ATOM 1565 NH2 ARG A1020 4.604 5.192 -2.359 1.00 0.00 N ATOM 0 H ARG A1020 -1.705 9.897 -2.637 1.00 0.00 H new ATOM 0 HA ARG A1020 -0.990 7.622 -4.358 1.00 0.00 H new ATOM 0 HB2 ARG A1020 0.298 7.998 -1.656 1.00 0.00 H new ATOM 0 HB3 ARG A1020 0.609 6.743 -2.840 1.00 0.00 H new ATOM 0 HG2 ARG A1020 1.614 8.399 -4.357 1.00 0.00 H new ATOM 0 HG3 ARG A1020 1.265 9.679 -3.212 1.00 0.00 H new ATOM 0 HD2 ARG A1020 3.554 9.072 -2.899 1.00 0.00 H new ATOM 0 HD3 ARG A1020 2.671 8.470 -1.511 1.00 0.00 H new ATOM 0 HE ARG A1020 3.130 6.584 -3.752 1.00 0.00 H new ATOM 0 HH11 ARG A1020 3.524 7.463 -0.353 1.00 0.00 H new ATOM 0 HH12 ARG A1020 4.578 6.088 -0.006 1.00 0.00 H new ATOM 0 HH21 ARG A1020 4.526 4.895 -3.332 1.00 0.00 H new ATOM 0 HH22 ARG A1020 5.142 4.633 -1.697 1.00 0.00 H new ATOM 1579 N ARG A1021 -2.064 6.171 -2.479 1.00 0.00 N ATOM 1580 CA ARG A1021 -2.937 5.452 -1.592 1.00 0.00 C ATOM 1581 C ARG A1021 -2.404 4.065 -1.375 1.00 0.00 C ATOM 1582 O ARG A1021 -1.703 3.541 -2.230 1.00 0.00 O ATOM 1583 CB ARG A1021 -4.321 5.390 -2.192 1.00 0.00 C ATOM 1584 CG ARG A1021 -4.335 4.887 -3.622 1.00 0.00 C ATOM 1585 CD ARG A1021 -5.730 4.782 -4.147 1.00 0.00 C ATOM 1586 NE ARG A1021 -5.700 4.087 -5.400 1.00 0.00 N ATOM 1587 CZ ARG A1021 -6.757 3.427 -5.897 1.00 0.00 C ATOM 1588 NH1 ARG A1021 -7.979 3.660 -5.416 1.00 0.00 N ATOM 1589 NH2 ARG A1021 -6.613 2.568 -6.887 1.00 0.00 N ATOM 0 H ARG A1021 -1.486 5.582 -3.078 1.00 0.00 H new ATOM 0 HA ARG A1021 -2.987 5.965 -0.631 1.00 0.00 H new ATOM 0 HB2 ARG A1021 -4.946 4.740 -1.580 1.00 0.00 H new ATOM 0 HB3 ARG A1021 -4.768 6.384 -2.160 1.00 0.00 H new ATOM 0 HG2 ARG A1021 -3.757 5.562 -4.253 1.00 0.00 H new ATOM 0 HG3 ARG A1021 -3.851 3.912 -3.671 1.00 0.00 H new ATOM 0 HD2 ARG A1021 -6.362 4.251 -3.436 1.00 0.00 H new ATOM 0 HD3 ARG A1021 -6.161 5.775 -4.276 1.00 0.00 H new ATOM 0 HE ARG A1021 -4.834 4.095 -5.939 1.00 0.00 H new ATOM 0 HH11 ARG A1021 -8.112 4.341 -4.669 1.00 0.00 H new ATOM 0 HH12 ARG A1021 -8.781 3.157 -5.796 1.00 0.00 H new ATOM 0 HH21 ARG A1021 -5.689 2.398 -7.285 1.00 0.00 H new ATOM 0 HH22 ARG A1021 -7.425 2.073 -7.255 1.00 0.00 H new ATOM 1603 N ARG A1022 -2.745 3.476 -0.257 1.00 0.00 N ATOM 1604 CA ARG A1022 -2.325 2.144 0.058 1.00 0.00 C ATOM 1605 C ARG A1022 -3.350 1.148 -0.453 1.00 0.00 C ATOM 1606 O ARG A1022 -4.551 1.362 -0.286 1.00 0.00 O ATOM 1607 CB ARG A1022 -2.217 1.999 1.570 1.00 0.00 C ATOM 1608 CG ARG A1022 -2.002 0.573 2.033 1.00 0.00 C ATOM 1609 CD ARG A1022 -2.139 0.460 3.532 1.00 0.00 C ATOM 1610 NE ARG A1022 -1.079 1.141 4.229 1.00 0.00 N ATOM 1611 CZ ARG A1022 -1.049 1.316 5.557 1.00 0.00 C ATOM 1612 NH1 ARG A1022 -2.155 1.158 6.295 1.00 0.00 N ATOM 1613 NH2 ARG A1022 0.074 1.717 6.125 1.00 0.00 N ATOM 0 H ARG A1022 -3.324 3.913 0.460 1.00 0.00 H new ATOM 0 HA ARG A1022 -1.360 1.952 -0.411 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -1.392 2.615 1.927 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -3.126 2.387 2.029 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -2.726 -0.083 1.548 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -1.012 0.234 1.729 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -3.099 0.875 3.839 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -2.141 -0.592 3.816 1.00 0.00 H new ATOM 0 HE ARG A1022 -0.305 1.512 3.679 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -3.035 0.901 5.847 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -2.118 1.294 7.305 1.00 0.00 H new ATOM 0 HH21 ARG A1022 0.901 1.889 5.554 1.00 0.00 H new ATOM 0 HH22 ARG A1022 0.114 1.855 7.135 1.00 0.00 H new ATOM 1627 N LEU A1023 -2.889 0.109 -1.112 1.00 0.00 N ATOM 1628 CA LEU A1023 -3.710 -1.022 -1.368 1.00 0.00 C ATOM 1629 C LEU A1023 -3.261 -2.041 -0.351 1.00 0.00 C ATOM 1630 O LEU A1023 -2.059 -2.243 -0.152 1.00 0.00 O ATOM 1631 CB LEU A1023 -3.573 -1.566 -2.792 1.00 0.00 C ATOM 1632 CG LEU A1023 -3.934 -0.598 -3.926 1.00 0.00 C ATOM 1633 CD1 LEU A1023 -3.834 -1.307 -5.259 1.00 0.00 C ATOM 1634 CD2 LEU A1023 -5.332 -0.032 -3.747 1.00 0.00 C ATOM 0 H LEU A1023 -1.940 0.037 -1.478 1.00 0.00 H new ATOM 0 HA LEU A1023 -4.766 -0.765 -1.285 1.00 0.00 H new ATOM 0 HB2 LEU A1023 -2.543 -1.893 -2.936 1.00 0.00 H new ATOM 0 HB3 LEU A1023 -4.204 -2.450 -2.883 1.00 0.00 H new ATOM 0 HG LEU A1023 -3.228 0.232 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A1023 -4.092 -0.614 -6.060 1.00 0.00 H new ATOM 0 HD12 LEU A1023 -2.815 -1.667 -5.404 1.00 0.00 H new ATOM 0 HD13 LEU A1023 -4.523 -2.152 -5.274 1.00 0.00 H new ATOM 0 HD21 LEU A1023 -5.556 0.650 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU A1023 -6.057 -0.846 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A1023 -5.388 0.507 -2.801 1.00 0.00 H new ATOM 1646 N VAL A1024 -4.208 -2.608 0.327 1.00 0.00 N ATOM 1647 CA VAL A1024 -3.936 -3.522 1.418 1.00 0.00 C ATOM 1648 C VAL A1024 -4.218 -4.928 1.029 1.00 0.00 C ATOM 1649 O VAL A1024 -5.130 -5.187 0.238 1.00 0.00 O ATOM 1650 CB VAL A1024 -4.760 -3.259 2.702 1.00 0.00 C ATOM 1651 CG1 VAL A1024 -4.157 -2.158 3.527 1.00 0.00 C ATOM 1652 CG2 VAL A1024 -6.215 -2.943 2.377 1.00 0.00 C ATOM 0 H VAL A1024 -5.201 -2.457 0.147 1.00 0.00 H new ATOM 0 HA VAL A1024 -2.881 -3.353 1.633 1.00 0.00 H new ATOM 0 HB VAL A1024 -4.735 -4.177 3.290 1.00 0.00 H new ATOM 0 HG11 VAL A1024 -4.761 -2.000 4.420 1.00 0.00 H new ATOM 0 HG12 VAL A1024 -3.144 -2.435 3.818 1.00 0.00 H new ATOM 0 HG13 VAL A1024 -4.128 -1.239 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A1024 -6.764 -2.764 3.302 1.00 0.00 H new ATOM 0 HG22 VAL A1024 -6.263 -2.054 1.749 1.00 0.00 H new ATOM 0 HG23 VAL A1024 -6.661 -3.785 1.848 1.00 0.00 H new ATOM 1662 N ARG A1025 -3.407 -5.808 1.561 1.00 0.00 N ATOM 1663 CA ARG A1025 -3.715 -7.215 1.477 1.00 0.00 C ATOM 1664 C ARG A1025 -3.004 -8.039 2.525 1.00 0.00 C ATOM 1665 O ARG A1025 -1.790 -8.138 2.516 1.00 0.00 O ATOM 1666 CB ARG A1025 -3.434 -7.780 0.111 1.00 0.00 C ATOM 1667 CG ARG A1025 -4.414 -8.865 -0.238 1.00 0.00 C ATOM 1668 CD ARG A1025 -5.842 -8.301 -0.361 1.00 0.00 C ATOM 1669 NE ARG A1025 -6.470 -7.970 0.943 1.00 0.00 N ATOM 1670 CZ ARG A1025 -7.509 -7.151 1.186 1.00 0.00 C ATOM 1671 NH1 ARG A1025 -8.091 -6.451 0.233 1.00 0.00 N ATOM 1672 NH2 ARG A1025 -7.978 -7.084 2.424 1.00 0.00 N ATOM 0 H ARG A1025 -2.541 -5.581 2.050 1.00 0.00 H new ATOM 0 HA ARG A1025 -4.786 -7.282 1.669 1.00 0.00 H new ATOM 0 HB2 ARG A1025 -3.487 -6.985 -0.633 1.00 0.00 H new ATOM 0 HB3 ARG A1025 -2.420 -8.178 0.080 1.00 0.00 H new ATOM 0 HG2 ARG A1025 -4.123 -9.335 -1.177 1.00 0.00 H new ATOM 0 HG3 ARG A1025 -4.390 -9.641 0.527 1.00 0.00 H new ATOM 0 HD2 ARG A1025 -5.816 -7.404 -0.979 1.00 0.00 H new ATOM 0 HD3 ARG A1025 -6.466 -9.028 -0.880 1.00 0.00 H new ATOM 0 HE ARG A1025 -6.061 -8.422 1.760 1.00 0.00 H new ATOM 0 HH11 ARG A1025 -7.756 -6.520 -0.728 1.00 0.00 H new ATOM 0 HH12 ARG A1025 -8.877 -5.840 0.456 1.00 0.00 H new ATOM 0 HH21 ARG A1025 -7.552 -7.645 3.162 1.00 0.00 H new ATOM 0 HH22 ARG A1025 -8.765 -6.472 2.639 1.00 0.00 H new ATOM 1686 N LYS A1026 -3.768 -8.648 3.410 1.00 0.00 N ATOM 1687 CA LYS A1026 -3.199 -9.429 4.487 1.00 0.00 C ATOM 1688 C LYS A1026 -2.711 -10.779 3.947 1.00 0.00 C ATOM 1689 O LYS A1026 -3.362 -11.404 3.100 1.00 0.00 O ATOM 1690 CB LYS A1026 -4.253 -9.549 5.598 1.00 0.00 C ATOM 1691 CG LYS A1026 -3.724 -9.707 7.014 1.00 0.00 C ATOM 1692 CD LYS A1026 -3.229 -11.103 7.320 1.00 0.00 C ATOM 1693 CE LYS A1026 -4.355 -12.121 7.259 1.00 0.00 C ATOM 1694 NZ LYS A1026 -5.474 -11.806 8.192 1.00 0.00 N ATOM 0 H LYS A1026 -4.787 -8.616 3.403 1.00 0.00 H new ATOM 0 HA LYS A1026 -2.321 -8.946 4.917 1.00 0.00 H new ATOM 0 HB2 LYS A1026 -4.886 -8.662 5.566 1.00 0.00 H new ATOM 0 HB3 LYS A1026 -4.891 -10.404 5.374 1.00 0.00 H new ATOM 0 HG2 LYS A1026 -2.910 -8.999 7.171 1.00 0.00 H new ATOM 0 HG3 LYS A1026 -4.513 -9.447 7.719 1.00 0.00 H new ATOM 0 HD2 LYS A1026 -2.450 -11.378 6.608 1.00 0.00 H new ATOM 0 HD3 LYS A1026 -2.776 -11.120 8.311 1.00 0.00 H new ATOM 0 HE2 LYS A1026 -4.740 -12.168 6.241 1.00 0.00 H new ATOM 0 HE3 LYS A1026 -3.958 -13.108 7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A1026 -6.129 -12.613 8.234 1.00 0.00 H new ATOM 0 HZ2 LYS A1026 -5.093 -11.621 9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A1026 -5.982 -10.965 7.853 1.00 0.00 H new ATOM 1708 N ARG A1027 -1.589 -11.241 4.473 1.00 0.00 N ATOM 1709 CA ARG A1027 -0.919 -12.433 3.991 1.00 0.00 C ATOM 1710 C ARG A1027 -0.631 -13.279 5.192 1.00 0.00 C ATOM 1711 O ARG A1027 -0.363 -12.765 6.259 1.00 0.00 O ATOM 1712 CB ARG A1027 0.359 -12.098 3.205 1.00 0.00 C ATOM 1713 CG ARG A1027 1.297 -11.137 3.906 1.00 0.00 C ATOM 1714 CD ARG A1027 2.437 -10.705 3.003 1.00 0.00 C ATOM 1715 NE ARG A1027 3.391 -11.763 2.718 1.00 0.00 N ATOM 1716 CZ ARG A1027 4.631 -11.513 2.286 1.00 0.00 C ATOM 1717 NH1 ARG A1027 4.961 -10.301 1.851 1.00 0.00 N ATOM 1718 NH2 ARG A1027 5.548 -12.465 2.300 1.00 0.00 N ATOM 0 H ARG A1027 -1.114 -10.792 5.256 1.00 0.00 H new ATOM 0 HA ARG A1027 -1.554 -12.970 3.286 1.00 0.00 H new ATOM 0 HB2 ARG A1027 0.896 -13.024 2.999 1.00 0.00 H new ATOM 0 HB3 ARG A1027 0.077 -11.672 2.242 1.00 0.00 H new ATOM 0 HG2 ARG A1027 0.740 -10.259 4.234 1.00 0.00 H new ATOM 0 HG3 ARG A1027 1.701 -11.611 4.801 1.00 0.00 H new ATOM 0 HD2 ARG A1027 2.025 -10.337 2.063 1.00 0.00 H new ATOM 0 HD3 ARG A1027 2.962 -9.871 3.469 1.00 0.00 H new ATOM 0 HE ARG A1027 3.104 -12.732 2.853 1.00 0.00 H new ATOM 0 HH11 ARG A1027 4.266 -9.554 1.845 1.00 0.00 H new ATOM 0 HH12 ARG A1027 5.909 -10.118 1.523 1.00 0.00 H new ATOM 0 HH21 ARG A1027 5.311 -13.396 2.642 1.00 0.00 H new ATOM 0 HH22 ARG A1027 6.493 -12.268 1.969 1.00 0.00 H new ATOM 1732 N LYS A1028 -0.716 -14.551 5.020 1.00 0.00 N ATOM 1733 CA LYS A1028 -0.722 -15.480 6.102 1.00 0.00 C ATOM 1734 C LYS A1028 0.218 -16.627 5.810 1.00 0.00 C ATOM 1735 O LYS A1028 0.158 -17.187 4.761 1.00 0.00 O ATOM 1736 CB LYS A1028 -2.141 -15.985 6.161 1.00 0.00 C ATOM 1737 CG LYS A1028 -2.436 -17.001 7.213 1.00 0.00 C ATOM 1738 CD LYS A1028 -3.860 -17.441 7.017 1.00 0.00 C ATOM 1739 CE LYS A1028 -4.473 -17.931 8.289 1.00 0.00 C ATOM 1740 NZ LYS A1028 -5.925 -18.160 8.108 1.00 0.00 N ATOM 0 H LYS A1028 -0.785 -14.988 4.101 1.00 0.00 H new ATOM 0 HA LYS A1028 -0.398 -15.026 7.039 1.00 0.00 H new ATOM 0 HB2 LYS A1028 -2.802 -15.132 6.314 1.00 0.00 H new ATOM 0 HB3 LYS A1028 -2.393 -16.413 5.191 1.00 0.00 H new ATOM 0 HG2 LYS A1028 -1.756 -17.849 7.131 1.00 0.00 H new ATOM 0 HG3 LYS A1028 -2.297 -16.577 8.208 1.00 0.00 H new ATOM 0 HD2 LYS A1028 -4.447 -16.609 6.629 1.00 0.00 H new ATOM 0 HD3 LYS A1028 -3.895 -18.233 6.269 1.00 0.00 H new ATOM 0 HE2 LYS A1028 -3.989 -18.856 8.601 1.00 0.00 H new ATOM 0 HE3 LYS A1028 -4.310 -17.202 9.083 1.00 0.00 H new ATOM 0 HZ1 LYS A1028 -6.318 -18.595 8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A1028 -6.400 -17.252 7.932 1.00 0.00 H new ATOM 0 HZ3 LYS A1028 -6.078 -18.794 7.298 1.00 0.00 H new ATOM 1754 N LYS A1029 1.012 -17.020 6.771 1.00 0.00 N ATOM 1755 CA LYS A1029 1.951 -18.136 6.597 1.00 0.00 C ATOM 1756 C LYS A1029 1.188 -19.416 6.872 1.00 0.00 C ATOM 1757 O LYS A1029 1.586 -20.528 6.534 1.00 0.00 O ATOM 1758 CB LYS A1029 3.072 -18.016 7.633 1.00 0.00 C ATOM 1759 CG LYS A1029 4.179 -19.047 7.489 1.00 0.00 C ATOM 1760 CD LYS A1029 5.320 -18.788 8.455 1.00 0.00 C ATOM 1761 CE LYS A1029 5.761 -17.340 8.408 1.00 0.00 C ATOM 1762 NZ LYS A1029 6.929 -17.089 9.285 1.00 0.00 N ATOM 0 H LYS A1029 1.039 -16.590 7.696 1.00 0.00 H new ATOM 0 HA LYS A1029 2.374 -18.129 5.592 1.00 0.00 H new ATOM 0 HB2 LYS A1029 3.509 -17.020 7.562 1.00 0.00 H new ATOM 0 HB3 LYS A1029 2.639 -18.104 8.629 1.00 0.00 H new ATOM 0 HG2 LYS A1029 3.773 -20.043 7.665 1.00 0.00 H new ATOM 0 HG3 LYS A1029 4.558 -19.033 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A1029 5.007 -19.043 9.468 1.00 0.00 H new ATOM 0 HD3 LYS A1029 6.162 -19.435 8.209 1.00 0.00 H new ATOM 0 HE2 LYS A1029 6.013 -17.070 7.382 1.00 0.00 H new ATOM 0 HE3 LYS A1029 4.934 -16.699 8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A1029 7.200 -16.087 9.224 1.00 0.00 H new ATOM 0 HZ2 LYS A1029 6.682 -17.322 10.268 1.00 0.00 H new ATOM 0 HZ3 LYS A1029 7.727 -17.682 8.979 1.00 0.00 H new ATOM 1776 N ASP A1030 0.099 -19.181 7.579 1.00 0.00 N ATOM 1777 CA ASP A1030 -0.809 -20.160 8.201 1.00 0.00 C ATOM 1778 C ASP A1030 -0.135 -21.030 9.263 1.00 0.00 C ATOM 1779 O ASP A1030 -0.795 -21.592 10.134 1.00 0.00 O ATOM 1780 CB ASP A1030 -1.554 -21.013 7.177 1.00 0.00 C ATOM 1781 CG ASP A1030 -2.716 -21.731 7.825 1.00 0.00 C ATOM 1782 OD1 ASP A1030 -3.637 -21.050 8.303 1.00 0.00 O ATOM 1783 OD2 ASP A1030 -2.706 -22.973 7.924 1.00 0.00 O ATOM 0 H ASP A1030 -0.210 -18.225 7.755 1.00 0.00 H new ATOM 0 HA ASP A1030 -1.552 -19.556 8.721 1.00 0.00 H new ATOM 0 HB2 ASP A1030 -1.917 -20.382 6.365 1.00 0.00 H new ATOM 0 HB3 ASP A1030 -0.872 -21.739 6.736 1.00 0.00 H new ATOM 1788 N LEU A1031 1.178 -21.026 9.188 1.00 0.00 N ATOM 1789 CA LEU A1031 2.139 -21.766 10.009 1.00 0.00 C ATOM 1790 C LEU A1031 2.279 -23.202 9.510 1.00 0.00 C ATOM 1791 O LEU A1031 3.200 -23.921 9.886 1.00 0.00 O ATOM 1792 CB LEU A1031 1.790 -21.755 11.499 1.00 0.00 C ATOM 1793 CG LEU A1031 2.905 -22.243 12.417 1.00 0.00 C ATOM 1794 CD1 LEU A1031 4.034 -21.230 12.471 1.00 0.00 C ATOM 1795 CD2 LEU A1031 2.380 -22.565 13.805 1.00 0.00 C ATOM 0 H LEU A1031 1.654 -20.455 8.489 1.00 0.00 H new ATOM 0 HA LEU A1031 3.094 -21.250 9.905 1.00 0.00 H new ATOM 0 HB2 LEU A1031 1.519 -20.739 11.787 1.00 0.00 H new ATOM 0 HB3 LEU A1031 0.909 -22.377 11.657 1.00 0.00 H new ATOM 0 HG LEU A1031 3.303 -23.169 12.002 1.00 0.00 H new ATOM 0 HD11 LEU A1031 4.820 -21.596 13.131 1.00 0.00 H new ATOM 0 HD12 LEU A1031 4.440 -21.084 11.470 1.00 0.00 H new ATOM 0 HD13 LEU A1031 3.654 -20.282 12.851 1.00 0.00 H new ATOM 0 HD21 LEU A1031 3.201 -22.910 14.434 1.00 0.00 H new ATOM 0 HD22 LEU A1031 1.938 -21.670 14.244 1.00 0.00 H new ATOM 0 HD23 LEU A1031 1.623 -23.346 13.736 1.00 0.00 H new ATOM 1807 N THR A1032 1.400 -23.594 8.615 1.00 0.00 N ATOM 1808 CA THR A1032 1.383 -24.940 8.085 1.00 0.00 C ATOM 1809 C THR A1032 2.301 -25.073 6.876 1.00 0.00 C ATOM 1810 O THR A1032 2.492 -26.159 6.334 1.00 0.00 O ATOM 1811 CB THR A1032 -0.053 -25.306 7.708 1.00 0.00 C ATOM 1812 OG1 THR A1032 -0.621 -24.225 6.956 1.00 0.00 O ATOM 1813 CG2 THR A1032 -0.885 -25.556 8.952 1.00 0.00 C ATOM 0 H THR A1032 0.675 -22.987 8.233 1.00 0.00 H new ATOM 0 HA THR A1032 1.751 -25.625 8.849 1.00 0.00 H new ATOM 0 HB THR A1032 -0.047 -26.218 7.111 1.00 0.00 H new ATOM 0 HG1 THR A1032 -1.499 -23.995 7.326 1.00 0.00 H new ATOM 0 HG21 THR A1032 -1.903 -25.815 8.663 1.00 0.00 H new ATOM 0 HG22 THR A1032 -0.450 -26.377 9.522 1.00 0.00 H new ATOM 0 HG23 THR A1032 -0.900 -24.656 9.566 1.00 0.00 H new ATOM 1821 N GLN A1033 2.890 -23.959 6.471 1.00 0.00 N ATOM 1822 CA GLN A1033 3.786 -23.960 5.322 1.00 0.00 C ATOM 1823 C GLN A1033 5.237 -24.136 5.741 1.00 0.00 C ATOM 1824 O GLN A1033 6.140 -24.034 4.913 1.00 0.00 O ATOM 1825 CB GLN A1033 3.656 -22.683 4.497 1.00 0.00 C ATOM 1826 CG GLN A1033 2.326 -22.517 3.794 1.00 0.00 C ATOM 1827 CD GLN A1033 2.367 -21.388 2.793 1.00 0.00 C ATOM 1828 OE1 GLN A1033 3.099 -20.424 2.971 1.00 0.00 O ATOM 1829 NE2 GLN A1033 1.608 -21.511 1.723 1.00 0.00 N ATOM 0 H GLN A1033 2.767 -23.049 6.915 1.00 0.00 H new ATOM 0 HA GLN A1033 3.487 -24.809 4.707 1.00 0.00 H new ATOM 0 HB2 GLN A1033 3.815 -21.826 5.152 1.00 0.00 H new ATOM 0 HB3 GLN A1033 4.451 -22.666 3.751 1.00 0.00 H new ATOM 0 HG2 GLN A1033 2.063 -23.445 3.287 1.00 0.00 H new ATOM 0 HG3 GLN A1033 1.546 -22.324 4.530 1.00 0.00 H new ATOM 0 HE21 GLN A1033 1.011 -22.331 1.612 1.00 0.00 H new ATOM 0 HE22 GLN A1033 1.617 -20.786 1.005 1.00 0.00 H new