USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 789 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 97 THR OG1 : rot 180:sc= -0.914 USER MOD Set 1.2: A 100 MET CE :methyl -165:sc= -0.036 (180deg=-0.101) USER MOD Set 2.1: A 55 CYS SG : rot -119:sc= -9.15! USER MOD Set 2.2: A 92 CYS SG : rot -128:sc= -12! USER MOD Set 3.1: A 46 CYS SG : rot -84:sc= 1.83 USER MOD Set 3.2: A 52 CYS SG : rot 160:sc= 0.49 USER MOD Set 3.3: A 54 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.453 K(o=-0.45,f=-8.6!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -57:sc= 0.417 USER MOD Single : A 21 THR OG1 : rot 140:sc= -1.31 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -1.15 K(o=-1.2,f=-0.64) USER MOD Single : A 37 ASN : amide:sc= -0.184 K(o=-0.18,f=-1.6) USER MOD Single : A 49 THR OG1 : rot 97:sc= 0.131 USER MOD Single : A 53 SER OG : rot -123:sc= -0.573 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00321 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 MET CE :methyl -119:sc= -0.897 (180deg=-2.09) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -20:sc= -0.414 USER MOD Single : A 88 SER OG : rot -82:sc= -1.98! USER MOD Single : A 93 GLN : amide:sc= -9.66! C(o=-9.7!,f=-6.7!) USER MOD Single : A 95 CYS SG : rot 28:sc= 0.0511 USER MOD Single : A 102 ASN : amide:sc= -4.08! C(o=-4.1!,f=-11!) USER MOD Single : A 103 MET CE :methyl 149:sc= -6.66! (180deg=-7.3!) USER MOD Single : A 104 THR OG1 : rot 180:sc= -1.23 USER MOD ----------------------------------------------------------------- ATOM 50 N ASP A 5 8.940 16.299 -5.695 1.00 0.00 N ATOM 51 CA ASP A 5 7.514 16.152 -5.452 1.00 0.00 C ATOM 52 C ASP A 5 7.298 15.180 -4.290 1.00 0.00 C ATOM 53 O ASP A 5 8.219 14.470 -3.890 1.00 0.00 O ATOM 54 CB ASP A 5 6.802 15.585 -6.681 1.00 0.00 C ATOM 55 CG ASP A 5 5.382 16.107 -6.903 1.00 0.00 C ATOM 56 OD1 ASP A 5 4.719 16.576 -5.966 1.00 0.00 O ATOM 57 OD2 ASP A 5 4.951 16.017 -8.117 1.00 0.00 O ATOM 0 HA ASP A 5 7.107 17.137 -5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 5 7.399 15.812 -7.565 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.764 14.499 -6.592 1.00 0.00 H new ATOM 63 N LYS A 6 6.074 15.181 -3.782 1.00 0.00 N ATOM 64 CA LYS A 6 5.724 14.308 -2.674 1.00 0.00 C ATOM 65 C LYS A 6 4.209 14.341 -2.463 1.00 0.00 C ATOM 66 O LYS A 6 3.597 15.407 -2.504 1.00 0.00 O ATOM 67 CB LYS A 6 6.526 14.679 -1.426 1.00 0.00 C ATOM 68 CG LYS A 6 6.144 16.073 -0.922 1.00 0.00 C ATOM 69 CD LYS A 6 7.201 16.617 0.040 1.00 0.00 C ATOM 70 CE LYS A 6 6.901 18.069 0.420 1.00 0.00 C ATOM 0 H LYS A 6 5.313 15.772 -4.117 1.00 0.00 H new ATOM 0 HA LYS A 6 5.992 13.277 -2.903 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.346 13.943 -0.642 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.592 14.650 -1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.033 16.752 -1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.178 16.030 -0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.231 16.001 0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.186 16.554 -0.423 1.00 0.00 H new ATOM 84 N ILE A 7 3.647 13.161 -2.243 1.00 0.00 N ATOM 85 CA ILE A 7 2.217 13.042 -2.027 1.00 0.00 C ATOM 86 C ILE A 7 1.957 12.635 -0.574 1.00 0.00 C ATOM 87 O ILE A 7 2.890 12.524 0.219 1.00 0.00 O ATOM 88 CB ILE A 7 1.597 12.089 -3.052 1.00 0.00 C ATOM 89 CG1 ILE A 7 1.775 10.632 -2.624 1.00 0.00 C ATOM 90 CG2 ILE A 7 2.158 12.349 -4.451 1.00 0.00 C ATOM 91 CD1 ILE A 7 0.600 9.773 -3.095 1.00 0.00 C ATOM 0 H ILE A 7 4.158 12.279 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 7 1.727 14.003 -2.183 1.00 0.00 H new ATOM 0 HB ILE A 7 0.525 12.283 -3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.705 10.240 -3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.859 10.576 -1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.701 11.659 -5.160 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.935 13.374 -4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.238 12.200 -4.444 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.753 8.742 -2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.325 10.153 -2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.534 9.811 -4.182 1.00 0.00 H new ATOM 103 N THR A 8 0.685 12.424 -0.271 1.00 0.00 N ATOM 104 CA THR A 8 0.291 12.031 1.072 1.00 0.00 C ATOM 105 C THR A 8 -0.535 10.745 1.031 1.00 0.00 C ATOM 106 O THR A 8 -1.654 10.736 0.519 1.00 0.00 O ATOM 107 CB THR A 8 -0.450 13.209 1.710 1.00 0.00 C ATOM 108 OG1 THR A 8 0.565 14.189 1.913 1.00 0.00 O ATOM 109 CG2 THR A 8 -0.949 12.891 3.121 1.00 0.00 C ATOM 0 H THR A 8 -0.086 12.518 -0.932 1.00 0.00 H new ATOM 0 HA THR A 8 1.160 11.802 1.688 1.00 0.00 H new ATOM 0 HB THR A 8 -1.295 13.490 1.081 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.171 14.988 2.322 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.467 13.759 3.528 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.635 12.044 3.082 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.101 12.642 3.759 1.00 0.00 H new ATOM 117 N VAL A 9 0.048 9.687 1.576 1.00 0.00 N ATOM 118 CA VAL A 9 -0.620 8.398 1.609 1.00 0.00 C ATOM 119 C VAL A 9 -1.222 8.175 2.998 1.00 0.00 C ATOM 120 O VAL A 9 -0.637 8.575 4.004 1.00 0.00 O ATOM 121 CB VAL A 9 0.354 7.293 1.195 1.00 0.00 C ATOM 122 CG1 VAL A 9 -0.385 5.981 0.929 1.00 0.00 C ATOM 123 CG2 VAL A 9 1.178 7.715 -0.023 1.00 0.00 C ATOM 0 H VAL A 9 0.976 9.697 1.998 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.441 8.375 0.892 1.00 0.00 H new ATOM 0 HB VAL A 9 1.043 7.127 2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.331 5.213 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.905 5.667 1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.108 6.127 0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.862 6.911 -0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.511 7.923 -0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.749 8.612 0.217 1.00 0.00 H new ATOM 133 N HIS A 10 -2.383 7.536 3.009 1.00 0.00 N ATOM 134 CA HIS A 10 -3.070 7.255 4.258 1.00 0.00 C ATOM 135 C HIS A 10 -3.221 5.743 4.432 1.00 0.00 C ATOM 136 O HIS A 10 -3.529 5.032 3.476 1.00 0.00 O ATOM 137 CB HIS A 10 -4.408 7.995 4.320 1.00 0.00 C ATOM 138 CG HIS A 10 -4.282 9.498 4.255 1.00 0.00 C ATOM 139 ND1 HIS A 10 -4.413 10.311 5.369 1.00 0.00 N ATOM 140 CD2 HIS A 10 -4.034 10.327 3.201 1.00 0.00 C ATOM 141 CE1 HIS A 10 -4.251 11.570 4.989 1.00 0.00 C ATOM 0 H HIS A 10 -2.865 7.205 2.173 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.477 7.625 5.094 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.037 7.657 3.496 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.919 7.723 5.243 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -4.602 9.994 6.320 1.00 0.00 H new ATOM 150 N PHE A 11 -2.998 5.295 5.658 1.00 0.00 N ATOM 151 CA PHE A 11 -3.105 3.880 5.970 1.00 0.00 C ATOM 152 C PHE A 11 -4.032 3.650 7.165 1.00 0.00 C ATOM 153 O PHE A 11 -3.805 4.194 8.245 1.00 0.00 O ATOM 154 CB PHE A 11 -1.699 3.393 6.329 1.00 0.00 C ATOM 155 CG PHE A 11 -0.744 3.315 5.136 1.00 0.00 C ATOM 156 CD1 PHE A 11 -0.222 4.455 4.608 1.00 0.00 C ATOM 157 CD2 PHE A 11 -0.417 2.107 4.604 1.00 0.00 C ATOM 158 CE1 PHE A 11 0.665 4.383 3.502 1.00 0.00 C ATOM 159 CE2 PHE A 11 0.469 2.036 3.497 1.00 0.00 C ATOM 160 CZ PHE A 11 0.992 3.176 2.969 1.00 0.00 C ATOM 0 H PHE A 11 -2.743 5.887 6.448 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.517 3.341 5.116 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.274 4.061 7.078 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.773 2.407 6.787 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.482 5.414 5.030 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.831 1.202 5.023 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.080 5.288 3.084 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.728 1.077 3.074 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.666 3.122 2.127 1.00 0.00 H new ATOM 170 N ILE A 12 -5.057 2.843 6.932 1.00 0.00 N ATOM 171 CA ILE A 12 -6.019 2.534 7.975 1.00 0.00 C ATOM 172 C ILE A 12 -5.571 1.276 8.721 1.00 0.00 C ATOM 173 O ILE A 12 -5.783 0.160 8.247 1.00 0.00 O ATOM 174 CB ILE A 12 -7.429 2.433 7.391 1.00 0.00 C ATOM 175 CG1 ILE A 12 -7.730 3.622 6.476 1.00 0.00 C ATOM 176 CG2 ILE A 12 -8.473 2.284 8.500 1.00 0.00 C ATOM 177 CD1 ILE A 12 -8.733 3.236 5.387 1.00 0.00 C ATOM 0 H ILE A 12 -5.242 2.394 6.035 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.059 3.341 8.706 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.481 1.533 6.778 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.128 4.448 7.066 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.807 3.975 6.016 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.467 2.214 8.057 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.267 1.381 9.074 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.430 3.151 9.159 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.929 4.099 4.751 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.322 2.427 4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.664 2.907 5.850 1.00 0.00 H new ATOM 189 N ASN A 13 -4.959 1.497 9.876 1.00 0.00 N ATOM 190 CA ASN A 13 -4.479 0.394 10.691 1.00 0.00 C ATOM 191 C ASN A 13 -5.563 -0.683 10.773 1.00 0.00 C ATOM 192 O ASN A 13 -6.721 -0.429 10.449 1.00 0.00 O ATOM 193 CB ASN A 13 -4.165 0.858 12.115 1.00 0.00 C ATOM 194 CG ASN A 13 -3.049 0.013 12.733 1.00 0.00 C ATOM 195 OD1 ASN A 13 -2.799 -1.115 12.340 1.00 0.00 O ATOM 196 ND2 ASN A 13 -2.396 0.619 13.720 1.00 0.00 N ATOM 0 H ASN A 13 -4.785 2.423 10.266 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.572 0.004 10.230 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.868 1.907 12.102 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.062 0.788 12.730 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.634 0.138 14.198 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.657 1.565 13.999 1.00 0.00 H new ATOM 203 N ARG A 14 -5.147 -1.863 11.209 1.00 0.00 N ATOM 204 CA ARG A 14 -6.067 -2.980 11.337 1.00 0.00 C ATOM 205 C ARG A 14 -7.009 -2.757 12.522 1.00 0.00 C ATOM 206 O ARG A 14 -8.038 -3.422 12.635 1.00 0.00 O ATOM 207 CB ARG A 14 -5.311 -4.296 11.536 1.00 0.00 C ATOM 208 CG ARG A 14 -4.221 -4.147 12.599 1.00 0.00 C ATOM 209 CD ARG A 14 -4.009 -5.461 13.355 1.00 0.00 C ATOM 210 NE ARG A 14 -4.732 -5.424 14.646 1.00 0.00 N ATOM 211 CZ ARG A 14 -4.729 -6.432 15.545 1.00 0.00 C ATOM 212 NH1 ARG A 14 -4.039 -7.566 15.299 1.00 0.00 N ATOM 213 NH2 ARG A 14 -5.409 -6.291 16.666 1.00 0.00 N ATOM 0 H ARG A 14 -4.185 -2.070 11.478 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.645 -3.042 10.415 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.009 -5.079 11.833 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.864 -4.609 10.593 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.288 -3.840 12.127 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.497 -3.360 13.301 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.364 -6.298 12.754 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.945 -5.623 13.529 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.266 -4.585 14.871 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.515 -7.666 14.429 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.041 -8.323 15.983 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.927 -5.430 16.844 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.417 -7.043 17.355 1.00 0.00 H new ATOM 226 N ASP A 15 -6.625 -1.819 13.375 1.00 0.00 N ATOM 227 CA ASP A 15 -7.422 -1.500 14.547 1.00 0.00 C ATOM 228 C ASP A 15 -8.449 -0.426 14.183 1.00 0.00 C ATOM 229 O ASP A 15 -9.518 -0.354 14.786 1.00 0.00 O ATOM 230 CB ASP A 15 -6.548 -0.954 15.677 1.00 0.00 C ATOM 231 CG ASP A 15 -6.409 -1.875 16.891 1.00 0.00 C ATOM 232 OD1 ASP A 15 -5.326 -2.414 17.164 1.00 0.00 O ATOM 233 OD2 ASP A 15 -7.488 -2.035 17.580 1.00 0.00 O ATOM 0 H ASP A 15 -5.771 -1.269 13.278 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.911 -2.415 14.880 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.554 -0.749 15.280 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.962 -0.002 16.008 1.00 0.00 H new ATOM 239 N GLY A 16 -8.088 0.382 13.197 1.00 0.00 N ATOM 240 CA GLY A 16 -8.964 1.449 12.745 1.00 0.00 C ATOM 241 C GLY A 16 -8.250 2.801 12.788 1.00 0.00 C ATOM 242 O GLY A 16 -8.841 3.830 12.467 1.00 0.00 O ATOM 0 H GLY A 16 -7.200 0.319 12.698 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.299 1.243 11.728 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.854 1.484 13.373 1.00 0.00 H new ATOM 246 N GLU A 17 -6.987 2.755 13.187 1.00 0.00 N ATOM 247 CA GLU A 17 -6.185 3.962 13.276 1.00 0.00 C ATOM 248 C GLU A 17 -5.688 4.373 11.888 1.00 0.00 C ATOM 249 O GLU A 17 -5.040 3.587 11.199 1.00 0.00 O ATOM 250 CB GLU A 17 -5.015 3.775 14.244 1.00 0.00 C ATOM 251 CG GLU A 17 -5.367 4.301 15.637 1.00 0.00 C ATOM 252 CD GLU A 17 -5.097 5.804 15.740 1.00 0.00 C ATOM 253 OE1 GLU A 17 -3.950 6.241 15.561 1.00 0.00 O ATOM 254 OE2 GLU A 17 -6.130 6.526 16.014 1.00 0.00 O ATOM 0 H GLU A 17 -6.500 1.899 13.452 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.813 4.762 13.668 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.754 2.718 14.305 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.137 4.298 13.865 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.417 4.101 15.851 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.782 3.770 16.388 1.00 0.00 H new ATOM 262 N THR A 18 -6.010 5.605 11.520 1.00 0.00 N ATOM 263 CA THR A 18 -5.604 6.129 10.227 1.00 0.00 C ATOM 264 C THR A 18 -4.219 6.773 10.323 1.00 0.00 C ATOM 265 O THR A 18 -4.023 7.721 11.082 1.00 0.00 O ATOM 266 CB THR A 18 -6.690 7.093 9.746 1.00 0.00 C ATOM 267 OG1 THR A 18 -7.772 6.242 9.376 1.00 0.00 O ATOM 268 CG2 THR A 18 -6.310 7.801 8.444 1.00 0.00 C ATOM 0 H THR A 18 -6.547 6.255 12.094 1.00 0.00 H new ATOM 0 HA THR A 18 -5.507 5.332 9.490 1.00 0.00 H new ATOM 0 HB THR A 18 -6.884 7.836 10.520 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.521 6.786 9.054 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.115 8.473 8.147 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.396 8.375 8.595 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.148 7.060 7.661 1.00 0.00 H new ATOM 276 N LEU A 19 -3.295 6.232 9.544 1.00 0.00 N ATOM 277 CA LEU A 19 -1.934 6.742 9.531 1.00 0.00 C ATOM 278 C LEU A 19 -1.739 7.630 8.301 1.00 0.00 C ATOM 279 O LEU A 19 -2.344 7.393 7.257 1.00 0.00 O ATOM 280 CB LEU A 19 -0.930 5.591 9.626 1.00 0.00 C ATOM 281 CG LEU A 19 -0.843 4.887 10.981 1.00 0.00 C ATOM 282 CD1 LEU A 19 -2.022 3.933 11.181 1.00 0.00 C ATOM 283 CD2 LEU A 19 0.502 4.176 11.144 1.00 0.00 C ATOM 0 H LEU A 19 -3.461 5.445 8.917 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.752 7.366 10.406 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.185 4.849 8.869 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.058 5.976 9.375 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.905 5.644 11.763 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.935 3.446 12.152 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.955 4.494 11.139 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.017 3.178 10.395 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.538 3.684 12.116 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.618 3.432 10.356 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.309 4.905 11.077 1.00 0.00 H new ATOM 295 N THR A 20 -0.889 8.634 8.465 1.00 0.00 N ATOM 296 CA THR A 20 -0.605 9.558 7.382 1.00 0.00 C ATOM 297 C THR A 20 0.889 9.550 7.050 1.00 0.00 C ATOM 298 O THR A 20 1.711 9.967 7.865 1.00 0.00 O ATOM 299 CB THR A 20 -1.130 10.937 7.787 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.547 10.794 7.752 1.00 0.00 O ATOM 301 CG2 THR A 20 -0.838 12.008 6.733 1.00 0.00 C ATOM 0 H THR A 20 -0.388 8.827 9.332 1.00 0.00 H new ATOM 0 HA THR A 20 -1.111 9.258 6.464 1.00 0.00 H new ATOM 0 HB THR A 20 -0.682 11.230 8.737 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.824 10.493 6.861 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.231 12.967 7.070 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.239 12.089 6.585 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.313 11.731 5.792 1.00 0.00 H new ATOM 309 N THR A 21 1.194 9.070 5.853 1.00 0.00 N ATOM 310 CA THR A 21 2.574 9.002 5.404 1.00 0.00 C ATOM 311 C THR A 21 2.701 9.559 3.985 1.00 0.00 C ATOM 312 O THR A 21 1.964 9.156 3.087 1.00 0.00 O ATOM 313 CB THR A 21 3.041 7.550 5.531 1.00 0.00 C ATOM 314 OG1 THR A 21 4.441 7.613 5.274 1.00 0.00 O ATOM 315 CG2 THR A 21 2.495 6.660 4.413 1.00 0.00 C ATOM 0 H THR A 21 0.509 8.725 5.181 1.00 0.00 H new ATOM 0 HA THR A 21 3.222 9.623 6.022 1.00 0.00 H new ATOM 0 HB THR A 21 2.730 7.151 6.496 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.914 7.012 5.888 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.856 5.641 4.550 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.405 6.666 4.443 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.834 7.038 3.449 1.00 0.00 H new ATOM 323 N LYS A 22 3.642 10.478 3.828 1.00 0.00 N ATOM 324 CA LYS A 22 3.875 11.096 2.533 1.00 0.00 C ATOM 325 C LYS A 22 4.920 10.282 1.765 1.00 0.00 C ATOM 326 O LYS A 22 5.950 9.905 2.323 1.00 0.00 O ATOM 327 CB LYS A 22 4.248 12.571 2.701 1.00 0.00 C ATOM 328 CG LYS A 22 5.680 12.720 3.218 1.00 0.00 C ATOM 329 CD LYS A 22 6.129 14.181 3.175 1.00 0.00 C ATOM 330 CE LYS A 22 5.292 15.040 4.125 1.00 0.00 C ATOM 0 H LYS A 22 4.252 10.810 4.575 1.00 0.00 H new ATOM 0 HA LYS A 22 2.962 11.088 1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.147 13.086 1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.556 13.048 3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.742 12.347 4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.353 12.111 2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.182 14.250 3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.039 14.563 2.158 1.00 0.00 H new ATOM 344 N GLY A 23 4.618 10.035 0.499 1.00 0.00 N ATOM 345 CA GLY A 23 5.518 9.273 -0.350 1.00 0.00 C ATOM 346 C GLY A 23 5.695 9.952 -1.710 1.00 0.00 C ATOM 347 O GLY A 23 4.722 10.396 -2.317 1.00 0.00 O ATOM 0 H GLY A 23 3.763 10.349 0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.487 9.172 0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.126 8.266 -0.491 1.00 0.00 H new ATOM 351 N LYS A 24 6.944 10.011 -2.148 1.00 0.00 N ATOM 352 CA LYS A 24 7.261 10.628 -3.425 1.00 0.00 C ATOM 353 C LYS A 24 6.883 9.670 -4.556 1.00 0.00 C ATOM 354 O LYS A 24 7.524 8.636 -4.738 1.00 0.00 O ATOM 355 CB LYS A 24 8.724 11.072 -3.456 1.00 0.00 C ATOM 356 CG LYS A 24 9.663 9.864 -3.479 1.00 0.00 C ATOM 357 CD LYS A 24 10.273 9.668 -4.868 1.00 0.00 C ATOM 358 CE LYS A 24 11.173 8.432 -4.904 1.00 0.00 C ATOM 0 H LYS A 24 7.749 9.642 -1.641 1.00 0.00 H new ATOM 0 HA LYS A 24 6.674 11.536 -3.567 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.901 11.692 -4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.939 11.688 -2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.457 10.003 -2.746 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.115 8.968 -3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.478 9.565 -5.607 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.851 10.551 -5.143 1.00 0.00 H new ATOM 372 N ILE A 25 5.846 10.048 -5.288 1.00 0.00 N ATOM 373 CA ILE A 25 5.376 9.235 -6.397 1.00 0.00 C ATOM 374 C ILE A 25 6.575 8.588 -7.093 1.00 0.00 C ATOM 375 O ILE A 25 7.298 9.251 -7.835 1.00 0.00 O ATOM 376 CB ILE A 25 4.495 10.065 -7.334 1.00 0.00 C ATOM 377 CG1 ILE A 25 5.347 10.873 -8.314 1.00 0.00 C ATOM 378 CG2 ILE A 25 3.535 10.953 -6.540 1.00 0.00 C ATOM 379 CD1 ILE A 25 5.517 10.125 -9.638 1.00 0.00 C ATOM 0 H ILE A 25 5.318 10.907 -5.135 1.00 0.00 H new ATOM 0 HA ILE A 25 4.742 8.426 -6.035 1.00 0.00 H new ATOM 0 HB ILE A 25 3.886 9.382 -7.926 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.879 11.841 -8.496 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.325 11.069 -7.875 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.921 11.532 -7.229 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.893 10.329 -5.918 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.107 11.631 -5.906 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.127 10.721 -10.317 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.007 9.169 -9.455 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.539 9.952 -10.086 1.00 0.00 H new ATOM 391 N GLY A 26 6.748 7.301 -6.830 1.00 0.00 N ATOM 392 CA GLY A 26 7.847 6.557 -7.422 1.00 0.00 C ATOM 393 C GLY A 26 8.528 5.665 -6.382 1.00 0.00 C ATOM 394 O GLY A 26 9.245 4.730 -6.735 1.00 0.00 O ATOM 0 H GLY A 26 6.145 6.754 -6.215 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.476 5.945 -8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.575 7.250 -7.844 1.00 0.00 H new ATOM 398 N ASP A 27 8.281 5.987 -5.121 1.00 0.00 N ATOM 399 CA ASP A 27 8.863 5.226 -4.027 1.00 0.00 C ATOM 400 C ASP A 27 7.974 4.018 -3.724 1.00 0.00 C ATOM 401 O ASP A 27 6.807 3.989 -4.110 1.00 0.00 O ATOM 402 CB ASP A 27 8.959 6.073 -2.757 1.00 0.00 C ATOM 403 CG ASP A 27 8.995 5.278 -1.450 1.00 0.00 C ATOM 404 OD1 ASP A 27 10.041 5.179 -0.792 1.00 0.00 O ATOM 405 OD2 ASP A 27 7.874 4.739 -1.109 1.00 0.00 O ATOM 0 H ASP A 27 7.686 6.764 -4.832 1.00 0.00 H new ATOM 0 HA ASP A 27 9.863 4.913 -4.327 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.857 6.688 -2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.108 6.754 -2.727 1.00 0.00 H new ATOM 411 N SER A 28 8.561 3.051 -3.035 1.00 0.00 N ATOM 412 CA SER A 28 7.837 1.843 -2.675 1.00 0.00 C ATOM 413 C SER A 28 7.112 2.045 -1.342 1.00 0.00 C ATOM 414 O SER A 28 7.717 2.477 -0.362 1.00 0.00 O ATOM 415 CB SER A 28 8.779 0.641 -2.590 1.00 0.00 C ATOM 416 OG SER A 28 8.229 -0.514 -3.215 1.00 0.00 O ATOM 0 H SER A 28 9.530 3.079 -2.716 1.00 0.00 H new ATOM 0 HA SER A 28 7.102 1.640 -3.454 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.729 0.891 -3.062 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.992 0.420 -1.544 1.00 0.00 H new ATOM 0 HG SER A 28 8.862 -1.259 -3.141 1.00 0.00 H new ATOM 422 N LEU A 29 5.827 1.723 -1.349 1.00 0.00 N ATOM 423 CA LEU A 29 5.014 1.863 -0.154 1.00 0.00 C ATOM 424 C LEU A 29 5.759 1.260 1.039 1.00 0.00 C ATOM 425 O LEU A 29 5.999 1.942 2.034 1.00 0.00 O ATOM 426 CB LEU A 29 3.624 1.264 -0.378 1.00 0.00 C ATOM 427 CG LEU A 29 2.676 2.079 -1.260 1.00 0.00 C ATOM 428 CD1 LEU A 29 1.370 1.320 -1.509 1.00 0.00 C ATOM 429 CD2 LEU A 29 2.429 3.466 -0.664 1.00 0.00 C ATOM 0 H LEU A 29 5.329 1.365 -2.164 1.00 0.00 H new ATOM 0 HA LEU A 29 4.849 2.916 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.743 0.276 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.151 1.121 0.594 1.00 0.00 H new ATOM 0 HG LEU A 29 3.152 2.226 -2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.714 1.921 -2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.587 0.376 -2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.877 1.121 -0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.752 4.024 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.983 3.363 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.375 4.000 -0.582 1.00 0.00 H new ATOM 441 N LEU A 30 6.105 -0.011 0.897 1.00 0.00 N ATOM 442 CA LEU A 30 6.817 -0.713 1.951 1.00 0.00 C ATOM 443 C LEU A 30 7.866 0.219 2.561 1.00 0.00 C ATOM 444 O LEU A 30 7.988 0.307 3.782 1.00 0.00 O ATOM 445 CB LEU A 30 7.397 -2.028 1.422 1.00 0.00 C ATOM 446 CG LEU A 30 7.828 -3.045 2.480 1.00 0.00 C ATOM 447 CD1 LEU A 30 6.779 -3.161 3.588 1.00 0.00 C ATOM 448 CD2 LEU A 30 8.140 -4.400 1.843 1.00 0.00 C ATOM 0 H LEU A 30 5.906 -0.572 0.069 1.00 0.00 H new ATOM 0 HA LEU A 30 6.133 -0.992 2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.653 -2.497 0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.259 -1.796 0.797 1.00 0.00 H new ATOM 0 HG LEU A 30 8.748 -2.687 2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.110 -3.890 4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.648 -2.191 4.068 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.831 -3.484 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.444 -5.105 2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.251 -4.778 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.948 -4.285 1.120 1.00 0.00 H new ATOM 460 N ASP A 31 8.595 0.893 1.683 1.00 0.00 N ATOM 461 CA ASP A 31 9.629 1.815 2.120 1.00 0.00 C ATOM 462 C ASP A 31 8.994 2.924 2.963 1.00 0.00 C ATOM 463 O ASP A 31 9.489 3.249 4.040 1.00 0.00 O ATOM 464 CB ASP A 31 10.324 2.469 0.925 1.00 0.00 C ATOM 465 CG ASP A 31 10.800 1.498 -0.157 1.00 0.00 C ATOM 466 OD1 ASP A 31 10.592 0.279 -0.058 1.00 0.00 O ATOM 467 OD2 ASP A 31 11.418 2.046 -1.149 1.00 0.00 O ATOM 0 H ASP A 31 8.490 0.819 0.671 1.00 0.00 H new ATOM 0 HA ASP A 31 10.361 1.252 2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.638 3.186 0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.182 3.034 1.288 1.00 0.00 H new ATOM 473 N VAL A 32 7.908 3.472 2.440 1.00 0.00 N ATOM 474 CA VAL A 32 7.200 4.537 3.129 1.00 0.00 C ATOM 475 C VAL A 32 6.868 4.084 4.553 1.00 0.00 C ATOM 476 O VAL A 32 7.143 4.798 5.515 1.00 0.00 O ATOM 477 CB VAL A 32 5.962 4.947 2.329 1.00 0.00 C ATOM 478 CG1 VAL A 32 5.225 6.100 3.013 1.00 0.00 C ATOM 479 CG2 VAL A 32 6.335 5.312 0.891 1.00 0.00 C ATOM 0 H VAL A 32 7.500 3.198 1.546 1.00 0.00 H new ATOM 0 HA VAL A 32 7.828 5.424 3.207 1.00 0.00 H new ATOM 0 HB VAL A 32 5.287 4.092 2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.349 6.372 2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.910 5.790 4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.890 6.960 3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.437 5.600 0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.038 6.145 0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.796 4.452 0.405 1.00 0.00 H new ATOM 489 N VAL A 33 6.282 2.899 4.640 1.00 0.00 N ATOM 490 CA VAL A 33 5.909 2.342 5.930 1.00 0.00 C ATOM 491 C VAL A 33 7.155 2.231 6.812 1.00 0.00 C ATOM 492 O VAL A 33 7.168 2.725 7.937 1.00 0.00 O ATOM 493 CB VAL A 33 5.193 1.004 5.736 1.00 0.00 C ATOM 494 CG1 VAL A 33 5.007 0.283 7.071 1.00 0.00 C ATOM 495 CG2 VAL A 33 3.852 1.199 5.026 1.00 0.00 C ATOM 0 H VAL A 33 6.056 2.309 3.839 1.00 0.00 H new ATOM 0 HA VAL A 33 5.206 3.000 6.441 1.00 0.00 H new ATOM 0 HB VAL A 33 5.820 0.377 5.102 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.496 -0.665 6.904 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.981 0.095 7.522 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.411 0.904 7.740 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.363 0.233 4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.216 1.853 5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.020 1.651 4.048 1.00 0.00 H new ATOM 505 N VAL A 34 8.171 1.579 6.265 1.00 0.00 N ATOM 506 CA VAL A 34 9.418 1.396 6.988 1.00 0.00 C ATOM 507 C VAL A 34 9.981 2.764 7.378 1.00 0.00 C ATOM 508 O VAL A 34 10.577 2.913 8.443 1.00 0.00 O ATOM 509 CB VAL A 34 10.392 0.566 6.149 1.00 0.00 C ATOM 510 CG1 VAL A 34 11.796 0.587 6.758 1.00 0.00 C ATOM 511 CG2 VAL A 34 9.887 -0.870 5.984 1.00 0.00 C ATOM 0 H VAL A 34 8.156 1.171 5.330 1.00 0.00 H new ATOM 0 HA VAL A 34 9.248 0.839 7.910 1.00 0.00 H new ATOM 0 HB VAL A 34 10.450 1.017 5.158 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.469 -0.010 6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.159 1.614 6.800 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.762 0.172 7.765 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.597 -1.439 5.384 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.786 -1.335 6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.918 -0.860 5.486 1.00 0.00 H new ATOM 521 N GLN A 35 9.772 3.728 6.494 1.00 0.00 N ATOM 522 CA GLN A 35 10.252 5.080 6.733 1.00 0.00 C ATOM 523 C GLN A 35 9.480 5.721 7.888 1.00 0.00 C ATOM 524 O GLN A 35 9.956 6.671 8.506 1.00 0.00 O ATOM 525 CB GLN A 35 10.148 5.930 5.465 1.00 0.00 C ATOM 526 CG GLN A 35 11.091 5.410 4.378 1.00 0.00 C ATOM 527 CD GLN A 35 12.235 6.394 4.126 1.00 0.00 C ATOM 528 OE1 GLN A 35 12.084 7.403 3.456 1.00 0.00 O ATOM 529 NE2 GLN A 35 13.384 6.046 4.698 1.00 0.00 N ATOM 0 H GLN A 35 9.277 3.601 5.611 1.00 0.00 H new ATOM 0 HA GLN A 35 11.305 5.028 7.011 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.122 5.918 5.098 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.391 6.967 5.697 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.497 4.444 4.676 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.534 5.250 3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 35 13.441 5.188 5.246 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.208 6.637 4.589 1.00 0.00 H new ATOM 538 N ASN A 36 8.300 5.174 8.143 1.00 0.00 N ATOM 539 CA ASN A 36 7.456 5.682 9.213 1.00 0.00 C ATOM 540 C ASN A 36 7.632 4.805 10.454 1.00 0.00 C ATOM 541 O ASN A 36 6.821 4.860 11.376 1.00 0.00 O ATOM 542 CB ASN A 36 5.980 5.647 8.814 1.00 0.00 C ATOM 543 CG ASN A 36 5.133 6.487 9.771 1.00 0.00 C ATOM 544 OD1 ASN A 36 5.087 7.704 9.695 1.00 0.00 O ATOM 545 ND2 ASN A 36 4.467 5.773 10.674 1.00 0.00 N ATOM 0 H ASN A 36 7.908 4.385 7.628 1.00 0.00 H new ATOM 0 HA ASN A 36 7.750 6.712 9.415 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.866 6.022 7.797 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.623 4.617 8.816 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.873 6.242 11.358 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.550 4.756 10.682 1.00 0.00 H new ATOM 552 N ASN A 37 8.696 4.015 10.436 1.00 0.00 N ATOM 553 CA ASN A 37 8.988 3.127 11.548 1.00 0.00 C ATOM 554 C ASN A 37 7.905 2.050 11.633 1.00 0.00 C ATOM 555 O ASN A 37 7.698 1.454 12.689 1.00 0.00 O ATOM 556 CB ASN A 37 8.999 3.891 12.874 1.00 0.00 C ATOM 557 CG ASN A 37 9.774 3.120 13.944 1.00 0.00 C ATOM 558 OD1 ASN A 37 10.273 2.029 13.721 1.00 0.00 O ATOM 559 ND2 ASN A 37 9.846 3.745 15.116 1.00 0.00 N ATOM 0 H ASN A 37 9.366 3.972 9.668 1.00 0.00 H new ATOM 0 HA ASN A 37 9.970 2.685 11.378 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.451 4.872 12.729 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.976 4.058 13.210 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.342 3.312 15.895 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.406 4.657 15.235 1.00 0.00 H new ATOM 566 N LEU A 38 7.244 1.830 10.506 1.00 0.00 N ATOM 567 CA LEU A 38 6.189 0.835 10.438 1.00 0.00 C ATOM 568 C LEU A 38 5.409 0.834 11.756 1.00 0.00 C ATOM 569 O LEU A 38 5.728 0.074 12.669 1.00 0.00 O ATOM 570 CB LEU A 38 6.764 -0.532 10.064 1.00 0.00 C ATOM 571 CG LEU A 38 7.826 -1.094 11.010 1.00 0.00 C ATOM 572 CD1 LEU A 38 7.634 -2.598 11.219 1.00 0.00 C ATOM 573 CD2 LEU A 38 9.235 -0.760 10.514 1.00 0.00 C ATOM 0 H LEU A 38 7.420 2.325 9.632 1.00 0.00 H new ATOM 0 HA LEU A 38 5.481 1.084 9.647 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.943 -1.246 10.006 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.196 -0.462 9.066 1.00 0.00 H new ATOM 0 HG LEU A 38 7.705 -0.615 11.982 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.402 -2.972 11.896 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.650 -2.783 11.650 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.713 -3.112 10.261 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.971 -1.171 11.205 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.385 -1.193 9.525 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.354 0.322 10.459 1.00 0.00 H new ATOM 585 N ASP A 39 4.404 1.695 11.812 1.00 0.00 N ATOM 586 CA ASP A 39 3.578 1.803 13.002 1.00 0.00 C ATOM 587 C ASP A 39 2.291 1.001 12.800 1.00 0.00 C ATOM 588 O ASP A 39 1.219 1.420 13.233 1.00 0.00 O ATOM 589 CB ASP A 39 3.189 3.258 13.273 1.00 0.00 C ATOM 590 CG ASP A 39 3.039 3.622 14.752 1.00 0.00 C ATOM 591 OD1 ASP A 39 3.854 3.221 15.595 1.00 0.00 O ATOM 592 OD2 ASP A 39 2.018 4.361 15.029 1.00 0.00 O ATOM 0 H ASP A 39 4.143 2.324 11.053 1.00 0.00 H new ATOM 0 HA ASP A 39 4.152 1.419 13.845 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.942 3.909 12.829 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.247 3.467 12.765 1.00 0.00 H new ATOM 598 N ILE A 40 2.439 -0.139 12.141 1.00 0.00 N ATOM 599 CA ILE A 40 1.303 -1.004 11.875 1.00 0.00 C ATOM 600 C ILE A 40 1.664 -2.444 12.246 1.00 0.00 C ATOM 601 O ILE A 40 2.836 -2.762 12.443 1.00 0.00 O ATOM 602 CB ILE A 40 0.833 -0.843 10.428 1.00 0.00 C ATOM 603 CG1 ILE A 40 0.568 0.627 10.098 1.00 0.00 C ATOM 604 CG2 ILE A 40 -0.386 -1.723 10.145 1.00 0.00 C ATOM 605 CD1 ILE A 40 0.705 0.887 8.595 1.00 0.00 C ATOM 0 H ILE A 40 3.330 -0.484 11.783 1.00 0.00 H new ATOM 0 HA ILE A 40 0.454 -0.717 12.496 1.00 0.00 H new ATOM 0 HB ILE A 40 1.633 -1.182 9.770 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.434 0.902 10.428 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.269 1.258 10.645 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.699 -1.589 9.110 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.127 -2.768 10.313 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.202 -1.440 10.810 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.511 1.940 8.389 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.715 0.634 8.273 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.014 0.273 8.053 1.00 0.00 H new ATOM 657 N GLY A 44 5.205 -5.827 5.916 1.00 0.00 N ATOM 658 CA GLY A 44 5.770 -6.941 5.174 1.00 0.00 C ATOM 659 C GLY A 44 6.966 -7.543 5.916 1.00 0.00 C ATOM 660 O GLY A 44 7.538 -6.906 6.798 1.00 0.00 O ATOM 0 HA2 GLY A 44 5.008 -7.706 5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.083 -6.603 4.186 1.00 0.00 H new ATOM 664 N ALA A 45 7.307 -8.764 5.529 1.00 0.00 N ATOM 665 CA ALA A 45 8.424 -9.458 6.147 1.00 0.00 C ATOM 666 C ALA A 45 9.474 -9.775 5.080 1.00 0.00 C ATOM 667 O ALA A 45 10.702 -9.531 5.191 1.00 0.00 O ATOM 668 CB ALA A 45 7.915 -10.716 6.855 1.00 0.00 C ATOM 0 H ALA A 45 6.830 -9.289 4.796 1.00 0.00 H new ATOM 0 HA ALA A 45 8.898 -8.829 6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.753 -11.237 7.319 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.193 -10.435 7.622 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.436 -11.373 6.129 1.00 0.00 H new ATOM 674 N CYS A 46 9.002 -10.346 3.982 1.00 0.00 N ATOM 675 CA CYS A 46 9.825 -10.729 2.847 1.00 0.00 C ATOM 676 C CYS A 46 10.396 -9.547 2.088 1.00 0.00 C ATOM 677 O CYS A 46 11.044 -9.782 1.070 1.00 0.00 O ATOM 678 CB CYS A 46 9.097 -11.678 1.904 1.00 0.00 C ATOM 679 SG CYS A 46 7.827 -10.991 0.819 1.00 0.00 S ATOM 0 H CYS A 46 8.013 -10.560 3.853 1.00 0.00 H new ATOM 0 HA CYS A 46 10.673 -11.262 3.277 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.845 -12.163 1.277 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.633 -12.458 2.508 1.00 0.00 H new ATOM 0 HG CYS A 46 6.698 -10.924 1.460 1.00 0.00 H new ATOM 684 N GLU A 47 10.148 -8.333 2.557 1.00 0.00 N ATOM 685 CA GLU A 47 10.643 -7.151 1.873 1.00 0.00 C ATOM 686 C GLU A 47 9.754 -6.819 0.674 1.00 0.00 C ATOM 687 O GLU A 47 9.994 -5.839 -0.030 1.00 0.00 O ATOM 688 CB GLU A 47 12.099 -7.338 1.440 1.00 0.00 C ATOM 689 CG GLU A 47 12.896 -6.044 1.620 1.00 0.00 C ATOM 690 CD GLU A 47 14.361 -6.243 1.225 1.00 0.00 C ATOM 691 OE1 GLU A 47 14.800 -5.721 0.190 1.00 0.00 O ATOM 692 OE2 GLU A 47 15.051 -6.969 2.038 1.00 0.00 O ATOM 0 H GLU A 47 9.611 -8.143 3.403 1.00 0.00 H new ATOM 0 HA GLU A 47 10.609 -6.312 2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.557 -8.135 2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.134 -7.649 0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.456 -5.254 1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.837 -5.718 2.658 1.00 0.00 H new ATOM 700 N GLY A 48 8.743 -7.653 0.478 1.00 0.00 N ATOM 701 CA GLY A 48 7.816 -7.460 -0.624 1.00 0.00 C ATOM 702 C GLY A 48 8.269 -8.235 -1.863 1.00 0.00 C ATOM 703 O GLY A 48 7.940 -7.859 -2.988 1.00 0.00 O ATOM 0 H GLY A 48 8.546 -8.464 1.064 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.820 -7.790 -0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.743 -6.399 -0.861 1.00 0.00 H new ATOM 707 N THR A 49 9.017 -9.300 -1.616 1.00 0.00 N ATOM 708 CA THR A 49 9.518 -10.130 -2.698 1.00 0.00 C ATOM 709 C THR A 49 8.509 -11.230 -3.038 1.00 0.00 C ATOM 710 O THR A 49 8.797 -12.115 -3.842 1.00 0.00 O ATOM 711 CB THR A 49 10.888 -10.671 -2.283 1.00 0.00 C ATOM 712 OG1 THR A 49 11.643 -9.502 -1.976 1.00 0.00 O ATOM 713 CG2 THR A 49 11.644 -11.306 -3.452 1.00 0.00 C ATOM 0 H THR A 49 9.288 -9.607 -0.682 1.00 0.00 H new ATOM 0 HA THR A 49 9.643 -9.552 -3.614 1.00 0.00 H new ATOM 0 HB THR A 49 10.763 -11.407 -1.488 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.620 -9.342 -1.009 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.609 -11.674 -3.104 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.063 -12.136 -3.853 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.799 -10.561 -4.232 1.00 0.00 H new ATOM 721 N LEU A 50 7.347 -11.136 -2.409 1.00 0.00 N ATOM 722 CA LEU A 50 6.293 -12.111 -2.635 1.00 0.00 C ATOM 723 C LEU A 50 6.717 -13.459 -2.047 1.00 0.00 C ATOM 724 O LEU A 50 7.337 -14.272 -2.731 1.00 0.00 O ATOM 725 CB LEU A 50 5.932 -12.175 -4.120 1.00 0.00 C ATOM 726 CG LEU A 50 5.409 -10.877 -4.740 1.00 0.00 C ATOM 727 CD1 LEU A 50 5.094 -11.067 -6.224 1.00 0.00 C ATOM 728 CD2 LEU A 50 4.204 -10.346 -3.962 1.00 0.00 C ATOM 0 H LEU A 50 7.112 -10.400 -1.743 1.00 0.00 H new ATOM 0 HA LEU A 50 5.380 -11.811 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.816 -12.489 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.177 -12.950 -4.257 1.00 0.00 H new ATOM 0 HG LEU A 50 6.194 -10.124 -4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.724 -10.130 -6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.999 -11.367 -6.753 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.334 -11.840 -6.339 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.851 -9.423 -4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.405 -11.088 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.495 -10.148 -2.930 1.00 0.00 H new ATOM 740 N ALA A 51 6.365 -13.654 -0.784 1.00 0.00 N ATOM 741 CA ALA A 51 6.702 -14.890 -0.097 1.00 0.00 C ATOM 742 C ALA A 51 6.031 -14.901 1.278 1.00 0.00 C ATOM 743 O ALA A 51 5.553 -15.939 1.732 1.00 0.00 O ATOM 744 CB ALA A 51 8.222 -15.026 -0.005 1.00 0.00 C ATOM 0 H ALA A 51 5.851 -12.978 -0.219 1.00 0.00 H new ATOM 0 HA ALA A 51 6.332 -15.752 -0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.474 -15.953 0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.647 -15.042 -1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.630 -14.181 0.549 1.00 0.00 H new ATOM 750 N CYS A 52 6.018 -13.734 1.904 1.00 0.00 N ATOM 751 CA CYS A 52 5.414 -13.596 3.219 1.00 0.00 C ATOM 752 C CYS A 52 3.896 -13.706 3.065 1.00 0.00 C ATOM 753 O CYS A 52 3.240 -14.406 3.833 1.00 0.00 O ATOM 754 CB CYS A 52 5.826 -12.287 3.897 1.00 0.00 C ATOM 755 SG CYS A 52 5.272 -10.861 2.892 1.00 0.00 S ATOM 0 H CYS A 52 6.416 -12.875 1.525 1.00 0.00 H new ATOM 0 HA CYS A 52 5.771 -14.394 3.871 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.390 -12.231 4.894 1.00 0.00 H new ATOM 0 HB3 CYS A 52 6.909 -12.257 4.021 1.00 0.00 H new ATOM 0 HG CYS A 52 5.232 -9.795 3.636 1.00 0.00 H new ATOM 761 N SER A 53 3.383 -13.004 2.066 1.00 0.00 N ATOM 762 CA SER A 53 1.954 -13.013 1.801 1.00 0.00 C ATOM 763 C SER A 53 1.188 -12.545 3.039 1.00 0.00 C ATOM 764 O SER A 53 0.149 -13.106 3.380 1.00 0.00 O ATOM 765 CB SER A 53 1.482 -14.406 1.380 1.00 0.00 C ATOM 766 OG SER A 53 2.505 -15.136 0.709 1.00 0.00 O ATOM 0 H SER A 53 3.931 -12.425 1.430 1.00 0.00 H new ATOM 0 HA SER A 53 1.755 -12.326 0.978 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.159 -14.961 2.261 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.615 -14.313 0.726 1.00 0.00 H new ATOM 0 HG SER A 53 2.186 -15.406 -0.178 1.00 0.00 H new ATOM 772 N THR A 54 1.733 -11.521 3.681 1.00 0.00 N ATOM 773 CA THR A 54 1.114 -10.971 4.875 1.00 0.00 C ATOM 774 C THR A 54 0.929 -9.459 4.732 1.00 0.00 C ATOM 775 O THR A 54 -0.102 -8.916 5.126 1.00 0.00 O ATOM 776 CB THR A 54 1.974 -11.367 6.077 1.00 0.00 C ATOM 777 OG1 THR A 54 3.312 -11.178 5.625 1.00 0.00 O ATOM 778 CG2 THR A 54 1.891 -12.862 6.389 1.00 0.00 C ATOM 0 H THR A 54 2.596 -11.058 3.396 1.00 0.00 H new ATOM 0 HA THR A 54 0.113 -11.376 5.025 1.00 0.00 H new ATOM 0 HB THR A 54 1.660 -10.797 6.951 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.936 -11.411 6.344 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.519 -13.089 7.250 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.858 -13.130 6.612 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.236 -13.433 5.527 1.00 0.00 H new ATOM 786 N CYS A 55 1.944 -8.821 4.166 1.00 0.00 N ATOM 787 CA CYS A 55 1.906 -7.383 3.965 1.00 0.00 C ATOM 788 C CYS A 55 0.503 -7.001 3.487 1.00 0.00 C ATOM 789 O CYS A 55 -0.298 -6.478 4.259 1.00 0.00 O ATOM 790 CB CYS A 55 2.989 -6.919 2.988 1.00 0.00 C ATOM 791 SG CYS A 55 3.363 -5.149 3.262 1.00 0.00 S ATOM 0 H CYS A 55 2.798 -9.275 3.840 1.00 0.00 H new ATOM 0 HA CYS A 55 2.118 -6.876 4.906 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.892 -7.515 3.123 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.655 -7.074 1.962 1.00 0.00 H new ATOM 0 HG CYS A 55 3.103 -4.478 2.179 1.00 0.00 H new ATOM 797 N HIS A 56 0.251 -7.279 2.217 1.00 0.00 N ATOM 798 CA HIS A 56 -1.041 -6.972 1.626 1.00 0.00 C ATOM 799 C HIS A 56 -1.429 -5.529 1.964 1.00 0.00 C ATOM 800 O HIS A 56 -0.653 -4.803 2.581 1.00 0.00 O ATOM 801 CB HIS A 56 -2.096 -7.988 2.066 1.00 0.00 C ATOM 802 CG HIS A 56 -2.463 -7.899 3.529 1.00 0.00 C ATOM 803 ND1 HIS A 56 -2.526 -9.006 4.355 1.00 0.00 N ATOM 804 CD2 HIS A 56 -2.783 -6.822 4.304 1.00 0.00 C ATOM 805 CE1 HIS A 56 -2.871 -8.604 5.570 1.00 0.00 C ATOM 0 H HIS A 56 0.919 -7.713 1.580 1.00 0.00 H new ATOM 0 HA HIS A 56 -0.977 -7.051 0.541 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -2.995 -7.845 1.467 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.729 -8.992 1.855 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.339 -9.969 4.076 1.00 0.00 H new ATOM 814 N LEU A 57 -2.630 -5.161 1.544 1.00 0.00 N ATOM 815 CA LEU A 57 -3.131 -3.820 1.795 1.00 0.00 C ATOM 816 C LEU A 57 -4.414 -3.602 0.991 1.00 0.00 C ATOM 817 O LEU A 57 -4.761 -4.415 0.134 1.00 0.00 O ATOM 818 CB LEU A 57 -2.044 -2.781 1.512 1.00 0.00 C ATOM 819 CG LEU A 57 -1.366 -2.169 2.740 1.00 0.00 C ATOM 820 CD1 LEU A 57 0.065 -1.736 2.416 1.00 0.00 C ATOM 821 CD2 LEU A 57 -2.199 -1.019 3.310 1.00 0.00 C ATOM 0 H LEU A 57 -3.271 -5.767 1.032 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.389 -3.700 2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.277 -3.246 0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.484 -1.975 0.925 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.303 -2.934 3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.525 -1.304 3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.643 -2.602 2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.049 -0.993 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.695 -0.602 4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.315 -0.244 2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.181 -1.391 3.602 1.00 0.00 H new ATOM 833 N ILE A 58 -5.085 -2.499 1.294 1.00 0.00 N ATOM 834 CA ILE A 58 -6.322 -2.164 0.611 1.00 0.00 C ATOM 835 C ILE A 58 -6.159 -0.818 -0.098 1.00 0.00 C ATOM 836 O ILE A 58 -5.620 0.129 0.474 1.00 0.00 O ATOM 837 CB ILE A 58 -7.501 -2.207 1.585 1.00 0.00 C ATOM 838 CG1 ILE A 58 -7.410 -3.427 2.503 1.00 0.00 C ATOM 839 CG2 ILE A 58 -8.834 -2.153 0.835 1.00 0.00 C ATOM 840 CD1 ILE A 58 -7.903 -4.688 1.790 1.00 0.00 C ATOM 0 H ILE A 58 -4.794 -1.827 2.004 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.546 -2.905 -0.157 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.452 -1.322 2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.378 -3.567 2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.005 -3.256 3.400 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -9.656 -2.185 1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.890 -1.229 0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.907 -3.006 0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.828 -5.541 2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.942 -4.554 1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -7.291 -4.869 0.907 1.00 0.00 H new ATOM 852 N PHE A 59 -6.634 -0.775 -1.334 1.00 0.00 N ATOM 853 CA PHE A 59 -6.548 0.439 -2.128 1.00 0.00 C ATOM 854 C PHE A 59 -7.931 0.877 -2.613 1.00 0.00 C ATOM 855 O PHE A 59 -8.627 0.115 -3.284 1.00 0.00 O ATOM 856 CB PHE A 59 -5.672 0.120 -3.341 1.00 0.00 C ATOM 857 CG PHE A 59 -4.205 -0.147 -2.996 1.00 0.00 C ATOM 858 CD1 PHE A 59 -3.872 -1.214 -2.221 1.00 0.00 C ATOM 859 CD2 PHE A 59 -3.234 0.683 -3.464 1.00 0.00 C ATOM 860 CE1 PHE A 59 -2.511 -1.462 -1.900 1.00 0.00 C ATOM 861 CE2 PHE A 59 -1.873 0.435 -3.145 1.00 0.00 C ATOM 862 CZ PHE A 59 -1.541 -0.633 -2.369 1.00 0.00 C ATOM 0 H PHE A 59 -7.080 -1.562 -1.805 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.131 1.247 -1.527 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.079 -0.753 -3.851 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.724 0.952 -4.043 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.643 -1.873 -1.850 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.499 1.531 -4.078 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.247 -2.309 -1.284 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.102 1.093 -3.518 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.506 -0.822 -2.126 1.00 0.00 H new ATOM 872 N GLU A 60 -8.289 2.102 -2.256 1.00 0.00 N ATOM 873 CA GLU A 60 -9.577 2.649 -2.647 1.00 0.00 C ATOM 874 C GLU A 60 -9.931 2.209 -4.069 1.00 0.00 C ATOM 875 O GLU A 60 -9.061 2.139 -4.936 1.00 0.00 O ATOM 876 CB GLU A 60 -9.584 4.174 -2.527 1.00 0.00 C ATOM 877 CG GLU A 60 -11.012 4.708 -2.413 1.00 0.00 C ATOM 878 CD GLU A 60 -11.449 4.796 -0.949 1.00 0.00 C ATOM 879 OE1 GLU A 60 -12.482 4.222 -0.575 1.00 0.00 O ATOM 880 OE2 GLU A 60 -10.673 5.492 -0.189 1.00 0.00 O ATOM 0 H GLU A 60 -7.709 2.731 -1.700 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.336 2.261 -1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.008 4.476 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.096 4.613 -3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.073 5.694 -2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.693 4.056 -2.961 1.00 0.00 H new ATOM 888 N GLN A 61 -11.210 1.924 -4.265 1.00 0.00 N ATOM 889 CA GLN A 61 -11.689 1.493 -5.568 1.00 0.00 C ATOM 890 C GLN A 61 -11.243 2.477 -6.650 1.00 0.00 C ATOM 891 O GLN A 61 -11.112 2.107 -7.816 1.00 0.00 O ATOM 892 CB GLN A 61 -13.211 1.333 -5.566 1.00 0.00 C ATOM 893 CG GLN A 61 -13.620 -0.022 -6.148 1.00 0.00 C ATOM 894 CD GLN A 61 -14.630 0.152 -7.284 1.00 0.00 C ATOM 895 OE1 GLN A 61 -14.303 0.076 -8.457 1.00 0.00 O ATOM 896 NE2 GLN A 61 -15.872 0.390 -6.873 1.00 0.00 N ATOM 0 H GLN A 61 -11.929 1.983 -3.544 1.00 0.00 H new ATOM 0 HA GLN A 61 -11.254 0.519 -5.790 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.589 1.424 -4.548 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -13.665 2.135 -6.148 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.738 -0.544 -6.518 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -14.053 -0.643 -5.364 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -16.078 0.441 -5.875 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -16.619 0.521 -7.555 1.00 0.00 H new ATOM 905 N HIS A 62 -11.021 3.713 -6.227 1.00 0.00 N ATOM 906 CA HIS A 62 -10.592 4.754 -7.146 1.00 0.00 C ATOM 907 C HIS A 62 -9.082 4.646 -7.374 1.00 0.00 C ATOM 908 O HIS A 62 -8.570 5.105 -8.393 1.00 0.00 O ATOM 909 CB HIS A 62 -11.019 6.134 -6.643 1.00 0.00 C ATOM 910 CG HIS A 62 -12.447 6.494 -6.978 1.00 0.00 C ATOM 911 ND1 HIS A 62 -12.778 7.399 -7.970 1.00 0.00 N ATOM 912 CD2 HIS A 62 -13.625 6.062 -6.442 1.00 0.00 C ATOM 913 CE1 HIS A 62 -14.098 7.501 -8.021 1.00 0.00 C ATOM 0 H HIS A 62 -11.130 4.017 -5.260 1.00 0.00 H new ATOM 0 HA HIS A 62 -11.081 4.617 -8.110 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -10.890 6.171 -5.561 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -10.356 6.886 -7.070 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -12.118 7.903 -8.562 1.00 0.00 H new ATOM 922 N ILE A 63 -8.412 4.038 -6.405 1.00 0.00 N ATOM 923 CA ILE A 63 -6.972 3.865 -6.487 1.00 0.00 C ATOM 924 C ILE A 63 -6.661 2.484 -7.068 1.00 0.00 C ATOM 925 O ILE A 63 -5.890 2.366 -8.019 1.00 0.00 O ATOM 926 CB ILE A 63 -6.324 4.121 -5.126 1.00 0.00 C ATOM 927 CG1 ILE A 63 -6.887 5.388 -4.479 1.00 0.00 C ATOM 928 CG2 ILE A 63 -4.799 4.167 -5.244 1.00 0.00 C ATOM 929 CD1 ILE A 63 -6.761 5.329 -2.955 1.00 0.00 C ATOM 0 H ILE A 63 -8.840 3.660 -5.560 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.537 4.600 -7.164 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.571 3.287 -4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.355 6.261 -4.858 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.934 5.508 -4.756 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.363 4.350 -4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.435 3.215 -5.630 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.511 4.969 -5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.169 6.242 -2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.314 4.469 -2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.710 5.234 -2.680 1.00 0.00 H new ATOM 941 N PHE A 64 -7.276 1.474 -6.470 1.00 0.00 N ATOM 942 CA PHE A 64 -7.075 0.106 -6.915 1.00 0.00 C ATOM 943 C PHE A 64 -7.319 -0.022 -8.421 1.00 0.00 C ATOM 944 O PHE A 64 -6.593 -0.735 -9.113 1.00 0.00 O ATOM 945 CB PHE A 64 -8.090 -0.762 -6.170 1.00 0.00 C ATOM 946 CG PHE A 64 -8.416 -2.081 -6.873 1.00 0.00 C ATOM 947 CD1 PHE A 64 -7.431 -2.988 -7.110 1.00 0.00 C ATOM 948 CD2 PHE A 64 -9.692 -2.348 -7.263 1.00 0.00 C ATOM 949 CE1 PHE A 64 -7.733 -4.212 -7.761 1.00 0.00 C ATOM 950 CE2 PHE A 64 -9.995 -3.571 -7.915 1.00 0.00 C ATOM 951 CZ PHE A 64 -9.009 -4.479 -8.151 1.00 0.00 C ATOM 0 H PHE A 64 -7.914 1.576 -5.681 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.050 -0.204 -6.712 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.705 -0.979 -5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -9.011 -0.194 -6.039 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.418 -2.776 -6.802 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -10.475 -1.628 -7.076 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.950 -4.932 -7.947 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -11.008 -3.782 -8.224 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.239 -5.410 -8.647 1.00 0.00 H new ATOM 961 N GLU A 65 -8.344 0.678 -8.883 1.00 0.00 N ATOM 962 CA GLU A 65 -8.693 0.651 -10.294 1.00 0.00 C ATOM 963 C GLU A 65 -7.659 1.429 -11.111 1.00 0.00 C ATOM 964 O GLU A 65 -7.561 1.253 -12.325 1.00 0.00 O ATOM 965 CB GLU A 65 -10.100 1.206 -10.521 1.00 0.00 C ATOM 966 CG GLU A 65 -10.095 2.736 -10.510 1.00 0.00 C ATOM 967 CD GLU A 65 -11.512 3.290 -10.675 1.00 0.00 C ATOM 968 OE1 GLU A 65 -12.420 2.903 -9.926 1.00 0.00 O ATOM 969 OE2 GLU A 65 -11.652 4.155 -11.622 1.00 0.00 O ATOM 0 H GLU A 65 -8.944 1.267 -8.306 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.688 -0.386 -10.630 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.487 0.847 -11.475 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.770 0.835 -9.745 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.667 3.095 -9.574 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.460 3.107 -11.314 1.00 0.00 H new ATOM 977 N LYS A 66 -6.912 2.272 -10.414 1.00 0.00 N ATOM 978 CA LYS A 66 -5.889 3.077 -11.059 1.00 0.00 C ATOM 979 C LYS A 66 -4.523 2.422 -10.848 1.00 0.00 C ATOM 980 O LYS A 66 -3.489 3.041 -11.098 1.00 0.00 O ATOM 981 CB LYS A 66 -5.960 4.525 -10.571 1.00 0.00 C ATOM 982 CG LYS A 66 -7.123 5.269 -11.229 1.00 0.00 C ATOM 983 CD LYS A 66 -7.240 6.695 -10.685 1.00 0.00 C ATOM 984 CE LYS A 66 -8.383 7.450 -11.366 1.00 0.00 C ATOM 0 H LYS A 66 -6.995 2.415 -9.408 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.059 3.120 -12.135 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.079 4.542 -9.488 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.023 5.035 -10.797 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.976 5.299 -12.309 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.053 4.730 -11.049 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.410 6.665 -9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.302 7.227 -10.845 1.00 0.00 H new ATOM 998 N LEU A 67 -4.562 1.180 -10.389 1.00 0.00 N ATOM 999 CA LEU A 67 -3.339 0.436 -10.140 1.00 0.00 C ATOM 1000 C LEU A 67 -3.030 -0.448 -11.351 1.00 0.00 C ATOM 1001 O LEU A 67 -3.816 -0.509 -12.295 1.00 0.00 O ATOM 1002 CB LEU A 67 -3.441 -0.339 -8.824 1.00 0.00 C ATOM 1003 CG LEU A 67 -3.287 0.488 -7.546 1.00 0.00 C ATOM 1004 CD1 LEU A 67 -3.682 -0.329 -6.315 1.00 0.00 C ATOM 1005 CD2 LEU A 67 -1.873 1.057 -7.428 1.00 0.00 C ATOM 0 H LEU A 67 -5.421 0.670 -10.183 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.497 1.117 -10.018 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.408 -0.840 -8.794 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.678 -1.118 -8.824 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.970 1.336 -7.602 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.564 0.281 -5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.722 -0.643 -6.405 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.042 -1.209 -6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.791 1.640 -6.511 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.153 0.239 -7.404 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.666 1.698 -8.285 1.00 0.00 H new ATOM 1017 N GLU A 68 -1.884 -1.110 -11.284 1.00 0.00 N ATOM 1018 CA GLU A 68 -1.463 -1.986 -12.362 1.00 0.00 C ATOM 1019 C GLU A 68 -2.051 -3.386 -12.170 1.00 0.00 C ATOM 1020 O GLU A 68 -2.517 -3.723 -11.083 1.00 0.00 O ATOM 1021 CB GLU A 68 0.063 -2.042 -12.459 1.00 0.00 C ATOM 1022 CG GLU A 68 0.651 -0.644 -12.663 1.00 0.00 C ATOM 1023 CD GLU A 68 0.041 0.034 -13.892 1.00 0.00 C ATOM 1024 OE1 GLU A 68 0.117 -0.511 -15.003 1.00 0.00 O ATOM 1025 OE2 GLU A 68 -0.532 1.167 -13.662 1.00 0.00 O ATOM 0 H GLU A 68 -1.235 -1.057 -10.499 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.840 -1.580 -13.301 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.473 -2.484 -11.551 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.355 -2.688 -13.287 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.466 -0.035 -11.778 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.732 -0.714 -12.781 1.00 0.00 H new ATOM 1033 N ALA A 69 -2.009 -4.164 -13.242 1.00 0.00 N ATOM 1034 CA ALA A 69 -2.533 -5.518 -13.206 1.00 0.00 C ATOM 1035 C ALA A 69 -1.525 -6.430 -12.502 1.00 0.00 C ATOM 1036 O ALA A 69 -0.326 -6.358 -12.769 1.00 0.00 O ATOM 1037 CB ALA A 69 -2.845 -5.984 -14.629 1.00 0.00 C ATOM 0 H ALA A 69 -1.620 -3.882 -14.141 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.464 -5.554 -12.640 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.238 -7.000 -14.601 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.586 -5.320 -15.075 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.934 -5.964 -15.226 1.00 0.00 H new ATOM 1043 N ILE A 70 -2.048 -7.266 -11.617 1.00 0.00 N ATOM 1044 CA ILE A 70 -1.210 -8.191 -10.874 1.00 0.00 C ATOM 1045 C ILE A 70 -1.076 -9.497 -11.660 1.00 0.00 C ATOM 1046 O ILE A 70 -1.645 -9.634 -12.742 1.00 0.00 O ATOM 1047 CB ILE A 70 -1.749 -8.380 -9.454 1.00 0.00 C ATOM 1048 CG1 ILE A 70 -0.607 -8.434 -8.437 1.00 0.00 C ATOM 1049 CG2 ILE A 70 -2.651 -9.613 -9.370 1.00 0.00 C ATOM 1050 CD1 ILE A 70 -0.542 -7.143 -7.618 1.00 0.00 C ATOM 0 H ILE A 70 -3.043 -7.322 -11.398 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.205 -7.785 -10.758 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.363 -7.515 -9.203 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.748 -9.285 -7.771 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.339 -8.588 -8.955 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.021 -9.725 -8.351 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.494 -9.494 -10.051 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.082 -10.500 -9.649 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.278 -7.207 -6.903 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.377 -6.297 -8.285 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.481 -7.004 -7.082 1.00 0.00 H new ATOM 1062 N THR A 71 -0.323 -10.422 -11.085 1.00 0.00 N ATOM 1063 CA THR A 71 -0.108 -11.712 -11.718 1.00 0.00 C ATOM 1064 C THR A 71 -0.696 -12.833 -10.858 1.00 0.00 C ATOM 1065 O THR A 71 -1.248 -12.576 -9.790 1.00 0.00 O ATOM 1066 CB THR A 71 1.392 -11.867 -11.977 1.00 0.00 C ATOM 1067 OG1 THR A 71 1.985 -11.696 -10.693 1.00 0.00 O ATOM 1068 CG2 THR A 71 1.965 -10.719 -12.808 1.00 0.00 C ATOM 0 H THR A 71 0.146 -10.304 -10.187 1.00 0.00 H new ATOM 0 HA THR A 71 -0.626 -11.774 -12.675 1.00 0.00 H new ATOM 0 HB THR A 71 1.576 -12.812 -12.489 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.958 -11.783 -10.768 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.032 -10.879 -12.962 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.460 -10.682 -13.773 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.812 -9.777 -12.282 1.00 0.00 H new ATOM 1076 N ASP A 72 -0.558 -14.052 -11.358 1.00 0.00 N ATOM 1077 CA ASP A 72 -1.068 -15.214 -10.649 1.00 0.00 C ATOM 1078 C ASP A 72 -0.283 -15.398 -9.349 1.00 0.00 C ATOM 1079 O ASP A 72 -0.870 -15.484 -8.272 1.00 0.00 O ATOM 1080 CB ASP A 72 -0.905 -16.484 -11.484 1.00 0.00 C ATOM 1081 CG ASP A 72 0.496 -16.706 -12.058 1.00 0.00 C ATOM 1082 OD1 ASP A 72 0.988 -15.907 -12.869 1.00 0.00 O ATOM 1083 OD2 ASP A 72 1.099 -17.765 -11.635 1.00 0.00 O ATOM 0 H ASP A 72 -0.100 -14.261 -12.245 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.126 -15.049 -10.448 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.168 -17.343 -10.867 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.618 -16.453 -12.308 1.00 0.00 H new ATOM 1089 N GLU A 73 1.033 -15.454 -9.493 1.00 0.00 N ATOM 1090 CA GLU A 73 1.905 -15.627 -8.343 1.00 0.00 C ATOM 1091 C GLU A 73 1.491 -14.679 -7.216 1.00 0.00 C ATOM 1092 O GLU A 73 1.189 -15.121 -6.108 1.00 0.00 O ATOM 1093 CB GLU A 73 3.370 -15.413 -8.729 1.00 0.00 C ATOM 1094 CG GLU A 73 4.219 -15.079 -7.500 1.00 0.00 C ATOM 1095 CD GLU A 73 5.702 -14.999 -7.863 1.00 0.00 C ATOM 1096 OE1 GLU A 73 6.359 -13.990 -7.567 1.00 0.00 O ATOM 1097 OE2 GLU A 73 6.171 -16.035 -8.473 1.00 0.00 O ATOM 0 H GLU A 73 1.517 -15.383 -10.388 1.00 0.00 H new ATOM 0 HA GLU A 73 1.804 -16.652 -7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.758 -16.311 -9.210 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.444 -14.605 -9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.893 -14.129 -7.076 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.069 -15.839 -6.733 1.00 0.00 H new ATOM 1105 N GLU A 74 1.491 -13.393 -7.536 1.00 0.00 N ATOM 1106 CA GLU A 74 1.119 -12.379 -6.564 1.00 0.00 C ATOM 1107 C GLU A 74 -0.313 -12.610 -6.078 1.00 0.00 C ATOM 1108 O GLU A 74 -0.588 -12.527 -4.882 1.00 0.00 O ATOM 1109 CB GLU A 74 1.280 -10.975 -7.148 1.00 0.00 C ATOM 1110 CG GLU A 74 1.135 -9.909 -6.060 1.00 0.00 C ATOM 1111 CD GLU A 74 2.020 -8.697 -6.358 1.00 0.00 C ATOM 1112 OE1 GLU A 74 2.864 -8.754 -7.265 1.00 0.00 O ATOM 1113 OE2 GLU A 74 1.805 -7.668 -5.610 1.00 0.00 O ATOM 0 H GLU A 74 1.743 -13.030 -8.455 1.00 0.00 H new ATOM 0 HA GLU A 74 1.790 -12.460 -5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.257 -10.885 -7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.532 -10.812 -7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.094 -9.595 -5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.406 -10.332 -5.093 1.00 0.00 H new ATOM 1121 N ASN A 75 -1.188 -12.896 -7.030 1.00 0.00 N ATOM 1122 CA ASN A 75 -2.585 -13.140 -6.715 1.00 0.00 C ATOM 1123 C ASN A 75 -2.676 -14.114 -5.538 1.00 0.00 C ATOM 1124 O ASN A 75 -3.497 -13.934 -4.641 1.00 0.00 O ATOM 1125 CB ASN A 75 -3.318 -13.766 -7.903 1.00 0.00 C ATOM 1126 CG ASN A 75 -4.829 -13.804 -7.658 1.00 0.00 C ATOM 1127 OD1 ASN A 75 -5.423 -14.848 -7.446 1.00 0.00 O ATOM 1128 ND2 ASN A 75 -5.413 -12.611 -7.699 1.00 0.00 N ATOM 0 H ASN A 75 -0.956 -12.964 -8.021 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.046 -12.183 -6.470 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.107 -13.195 -8.807 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.948 -14.777 -8.071 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.418 -12.530 -7.548 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.856 -11.776 -7.882 1.00 0.00 H new ATOM 1135 N ASP A 76 -1.819 -15.125 -5.581 1.00 0.00 N ATOM 1136 CA ASP A 76 -1.792 -16.128 -4.530 1.00 0.00 C ATOM 1137 C ASP A 76 -1.290 -15.488 -3.234 1.00 0.00 C ATOM 1138 O ASP A 76 -1.842 -15.732 -2.162 1.00 0.00 O ATOM 1139 CB ASP A 76 -0.846 -17.276 -4.888 1.00 0.00 C ATOM 1140 CG ASP A 76 -0.434 -18.164 -3.713 1.00 0.00 C ATOM 1141 OD1 ASP A 76 -1.267 -18.545 -2.877 1.00 0.00 O ATOM 1142 OD2 ASP A 76 0.818 -18.471 -3.675 1.00 0.00 O ATOM 0 H ASP A 76 -1.139 -15.270 -6.327 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.803 -16.518 -4.410 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.324 -17.899 -5.644 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.053 -16.858 -5.341 1.00 0.00 H new ATOM 1148 N MET A 77 -0.248 -14.681 -3.375 1.00 0.00 N ATOM 1149 CA MET A 77 0.335 -14.005 -2.228 1.00 0.00 C ATOM 1150 C MET A 77 -0.644 -12.991 -1.634 1.00 0.00 C ATOM 1151 O MET A 77 -0.562 -12.664 -0.451 1.00 0.00 O ATOM 1152 CB MET A 77 1.616 -13.287 -2.657 1.00 0.00 C ATOM 1153 CG MET A 77 2.799 -13.705 -1.781 1.00 0.00 C ATOM 1154 SD MET A 77 3.130 -15.446 -1.994 1.00 0.00 S ATOM 1155 CE MET A 77 3.635 -15.457 -3.707 1.00 0.00 C ATOM 0 H MET A 77 0.207 -14.480 -4.265 1.00 0.00 H new ATOM 0 HA MET A 77 0.563 -14.751 -1.466 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.833 -13.515 -3.700 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.472 -12.209 -2.590 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.682 -13.123 -2.046 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.580 -13.493 -0.734 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.954 -16.083 -4.283 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.613 -14.440 -4.099 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.647 -15.854 -3.785 1.00 0.00 H new ATOM 1165 N LEU A 78 -1.549 -12.523 -2.481 1.00 0.00 N ATOM 1166 CA LEU A 78 -2.543 -11.553 -2.054 1.00 0.00 C ATOM 1167 C LEU A 78 -3.700 -12.283 -1.371 1.00 0.00 C ATOM 1168 O LEU A 78 -4.212 -11.824 -0.350 1.00 0.00 O ATOM 1169 CB LEU A 78 -2.977 -10.676 -3.231 1.00 0.00 C ATOM 1170 CG LEU A 78 -4.479 -10.411 -3.350 1.00 0.00 C ATOM 1171 CD1 LEU A 78 -4.746 -9.001 -3.880 1.00 0.00 C ATOM 1172 CD2 LEU A 78 -5.159 -11.483 -4.206 1.00 0.00 C ATOM 0 H LEU A 78 -1.615 -12.798 -3.461 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.118 -10.870 -1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.464 -9.717 -3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.637 -11.146 -4.154 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.916 -10.469 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.821 -8.838 -3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.315 -8.268 -3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.293 -8.891 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.226 -11.271 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.724 -11.481 -5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.012 -12.461 -3.748 1.00 0.00 H new ATOM 1184 N ASP A 79 -4.078 -13.407 -1.960 1.00 0.00 N ATOM 1185 CA ASP A 79 -5.166 -14.206 -1.420 1.00 0.00 C ATOM 1186 C ASP A 79 -5.008 -14.317 0.098 1.00 0.00 C ATOM 1187 O ASP A 79 -5.949 -14.055 0.845 1.00 0.00 O ATOM 1188 CB ASP A 79 -5.152 -15.621 -2.001 1.00 0.00 C ATOM 1189 CG ASP A 79 -4.745 -16.720 -1.019 1.00 0.00 C ATOM 1190 OD1 ASP A 79 -3.615 -17.230 -1.062 1.00 0.00 O ATOM 1191 OD2 ASP A 79 -5.654 -17.056 -0.168 1.00 0.00 O ATOM 0 H ASP A 79 -3.651 -13.784 -2.806 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.104 -13.718 -1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -6.146 -15.849 -2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.469 -15.642 -2.850 1.00 0.00 H new ATOM 1197 N LEU A 80 -3.810 -14.705 0.508 1.00 0.00 N ATOM 1198 CA LEU A 80 -3.516 -14.854 1.924 1.00 0.00 C ATOM 1199 C LEU A 80 -4.144 -13.691 2.695 1.00 0.00 C ATOM 1200 O LEU A 80 -4.551 -13.853 3.845 1.00 0.00 O ATOM 1201 CB LEU A 80 -2.009 -14.997 2.145 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.558 -16.251 2.896 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -2.142 -16.284 4.310 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -1.899 -17.517 2.105 1.00 0.00 C ATOM 0 H LEU A 80 -3.031 -14.921 -0.115 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.960 -15.771 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.516 -14.983 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.658 -14.123 2.693 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.473 -16.217 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.806 -17.186 4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.806 -15.407 4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.231 -16.283 4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.568 -18.394 2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.977 -17.571 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.396 -17.489 1.139 1.00 0.00 H new ATOM 1216 N ALA A 81 -4.202 -12.546 2.032 1.00 0.00 N ATOM 1217 CA ALA A 81 -4.773 -11.357 2.641 1.00 0.00 C ATOM 1218 C ALA A 81 -6.082 -11.726 3.341 1.00 0.00 C ATOM 1219 O ALA A 81 -6.834 -12.571 2.856 1.00 0.00 O ATOM 1220 CB ALA A 81 -4.967 -10.278 1.574 1.00 0.00 C ATOM 0 H ALA A 81 -3.863 -12.416 1.079 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.098 -10.952 3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.395 -9.386 2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.004 -10.030 1.128 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.640 -10.648 0.801 1.00 0.00 H new ATOM 1226 N TYR A 82 -6.316 -11.075 4.472 1.00 0.00 N ATOM 1227 CA TYR A 82 -7.521 -11.325 5.243 1.00 0.00 C ATOM 1228 C TYR A 82 -8.659 -10.404 4.797 1.00 0.00 C ATOM 1229 O TYR A 82 -8.414 -9.325 4.258 1.00 0.00 O ATOM 1230 CB TYR A 82 -7.166 -11.008 6.697 1.00 0.00 C ATOM 1231 CG TYR A 82 -7.309 -12.198 7.647 1.00 0.00 C ATOM 1232 CD1 TYR A 82 -6.261 -13.080 7.812 1.00 0.00 C ATOM 1233 CD2 TYR A 82 -8.489 -12.390 8.339 1.00 0.00 C ATOM 1234 CE1 TYR A 82 -6.396 -14.201 8.707 1.00 0.00 C ATOM 1235 CE2 TYR A 82 -8.624 -13.511 9.233 1.00 0.00 C ATOM 1236 CZ TYR A 82 -7.572 -14.361 9.373 1.00 0.00 C ATOM 1237 OH TYR A 82 -7.700 -15.419 10.218 1.00 0.00 O ATOM 0 H TYR A 82 -5.691 -10.375 4.872 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.855 -12.354 5.109 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.139 -10.645 6.738 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.805 -10.198 7.048 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.339 -12.930 7.270 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.310 -11.700 8.210 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.583 -14.898 8.846 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.541 -13.673 9.780 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.591 -15.407 10.625 1.00 0.00 H new ATOM 1247 N GLY A 83 -9.878 -10.863 5.037 1.00 0.00 N ATOM 1248 CA GLY A 83 -11.055 -10.094 4.666 1.00 0.00 C ATOM 1249 C GLY A 83 -10.847 -9.388 3.325 1.00 0.00 C ATOM 1250 O GLY A 83 -11.214 -8.224 3.168 1.00 0.00 O ATOM 0 H GLY A 83 -10.077 -11.758 5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -11.920 -10.754 4.603 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.271 -9.357 5.440 1.00 0.00 H new ATOM 1254 N LEU A 84 -10.259 -10.122 2.392 1.00 0.00 N ATOM 1255 CA LEU A 84 -9.999 -9.581 1.068 1.00 0.00 C ATOM 1256 C LEU A 84 -11.206 -8.759 0.612 1.00 0.00 C ATOM 1257 O LEU A 84 -12.336 -9.244 0.633 1.00 0.00 O ATOM 1258 CB LEU A 84 -9.614 -10.699 0.098 1.00 0.00 C ATOM 1259 CG LEU A 84 -8.118 -10.865 -0.175 1.00 0.00 C ATOM 1260 CD1 LEU A 84 -7.839 -12.166 -0.932 1.00 0.00 C ATOM 1261 CD2 LEU A 84 -7.556 -9.644 -0.907 1.00 0.00 C ATOM 0 H LEU A 84 -9.955 -11.086 2.526 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.144 -8.905 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.998 -11.641 0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.118 -10.519 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.601 -10.933 0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.768 -12.259 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.182 -13.013 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.368 -12.153 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.491 -9.787 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.073 -9.520 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.703 -8.754 -0.296 1.00 0.00 H new ATOM 1273 N THR A 85 -10.926 -7.528 0.208 1.00 0.00 N ATOM 1274 CA THR A 85 -11.974 -6.634 -0.253 1.00 0.00 C ATOM 1275 C THR A 85 -12.051 -6.647 -1.781 1.00 0.00 C ATOM 1276 O THR A 85 -11.274 -7.334 -2.440 1.00 0.00 O ATOM 1277 CB THR A 85 -11.702 -5.246 0.331 1.00 0.00 C ATOM 1278 OG1 THR A 85 -10.577 -4.774 -0.405 1.00 0.00 O ATOM 1279 CG2 THR A 85 -11.205 -5.306 1.776 1.00 0.00 C ATOM 0 H THR A 85 -9.987 -7.129 0.191 1.00 0.00 H new ATOM 0 HA THR A 85 -12.954 -6.961 0.093 1.00 0.00 H new ATOM 0 HB THR A 85 -12.612 -4.648 0.286 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.111 -5.533 -0.813 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.027 -4.295 2.142 1.00 0.00 H new ATOM 0 HG22 THR A 85 -11.956 -5.791 2.399 1.00 0.00 H new ATOM 0 HG23 THR A 85 -10.276 -5.875 1.818 1.00 0.00 H new ATOM 1287 N ASP A 86 -12.997 -5.877 -2.300 1.00 0.00 N ATOM 1288 CA ASP A 86 -13.186 -5.790 -3.738 1.00 0.00 C ATOM 1289 C ASP A 86 -12.219 -4.754 -4.314 1.00 0.00 C ATOM 1290 O ASP A 86 -12.279 -4.436 -5.500 1.00 0.00 O ATOM 1291 CB ASP A 86 -14.610 -5.349 -4.081 1.00 0.00 C ATOM 1292 CG ASP A 86 -14.851 -5.030 -5.558 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -14.443 -5.788 -6.449 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -15.495 -3.934 -5.780 1.00 0.00 O ATOM 0 H ASP A 86 -13.641 -5.308 -1.750 1.00 0.00 H new ATOM 0 HA ASP A 86 -13.002 -6.777 -4.162 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.301 -6.136 -3.778 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.853 -4.466 -3.490 1.00 0.00 H new ATOM 1300 N ARG A 87 -11.349 -4.257 -3.447 1.00 0.00 N ATOM 1301 CA ARG A 87 -10.370 -3.263 -3.854 1.00 0.00 C ATOM 1302 C ARG A 87 -9.022 -3.542 -3.187 1.00 0.00 C ATOM 1303 O ARG A 87 -8.234 -2.623 -2.964 1.00 0.00 O ATOM 1304 CB ARG A 87 -10.832 -1.852 -3.486 1.00 0.00 C ATOM 1305 CG ARG A 87 -10.636 -1.583 -1.992 1.00 0.00 C ATOM 1306 CD ARG A 87 -11.734 -0.665 -1.451 1.00 0.00 C ATOM 1307 NE ARG A 87 -12.899 -1.469 -1.019 1.00 0.00 N ATOM 1308 CZ ARG A 87 -13.888 -1.003 -0.229 1.00 0.00 C ATOM 1309 NH1 ARG A 87 -13.863 0.269 0.224 1.00 0.00 N ATOM 1310 NH2 ARG A 87 -14.882 -1.809 0.095 1.00 0.00 N ATOM 0 H ARG A 87 -11.302 -4.524 -2.464 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.263 -3.326 -4.937 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.273 -1.119 -4.068 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.883 -1.730 -3.746 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.643 -2.526 -1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.660 -1.126 -1.826 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.352 -0.083 -0.612 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.037 0.045 -2.220 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.958 -2.436 -1.339 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -13.092 0.886 -0.031 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -14.615 0.613 0.821 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -14.894 -2.768 -0.251 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -15.638 -1.472 0.692 1.00 0.00 H new ATOM 1323 N SER A 88 -8.797 -4.813 -2.887 1.00 0.00 N ATOM 1324 CA SER A 88 -7.558 -5.223 -2.250 1.00 0.00 C ATOM 1325 C SER A 88 -6.429 -5.267 -3.282 1.00 0.00 C ATOM 1326 O SER A 88 -6.683 -5.326 -4.483 1.00 0.00 O ATOM 1327 CB SER A 88 -7.712 -6.588 -1.575 1.00 0.00 C ATOM 1328 OG SER A 88 -8.347 -7.537 -2.427 1.00 0.00 O ATOM 0 H SER A 88 -9.452 -5.572 -3.074 1.00 0.00 H new ATOM 0 HA SER A 88 -7.311 -4.492 -1.480 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.730 -6.962 -1.285 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.294 -6.476 -0.660 1.00 0.00 H new ATOM 0 HG SER A 88 -9.319 -7.417 -2.384 1.00 0.00 H new ATOM 1334 N ARG A 89 -5.205 -5.236 -2.774 1.00 0.00 N ATOM 1335 CA ARG A 89 -4.037 -5.270 -3.637 1.00 0.00 C ATOM 1336 C ARG A 89 -2.760 -5.115 -2.807 1.00 0.00 C ATOM 1337 O ARG A 89 -2.745 -4.388 -1.815 1.00 0.00 O ATOM 1338 CB ARG A 89 -4.093 -4.158 -4.685 1.00 0.00 C ATOM 1339 CG ARG A 89 -3.615 -4.665 -6.048 1.00 0.00 C ATOM 1340 CD ARG A 89 -3.340 -3.500 -7.001 1.00 0.00 C ATOM 1341 NE ARG A 89 -2.383 -3.918 -8.049 1.00 0.00 N ATOM 1342 CZ ARG A 89 -1.041 -3.889 -7.904 1.00 0.00 C ATOM 1343 NH1 ARG A 89 -0.486 -3.460 -6.751 1.00 0.00 N ATOM 1344 NH2 ARG A 89 -0.280 -4.286 -8.907 1.00 0.00 N ATOM 0 H ARG A 89 -4.998 -5.188 -1.776 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.030 -6.233 -4.147 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.113 -3.784 -4.769 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.472 -3.321 -4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.709 -5.258 -5.922 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.369 -5.323 -6.480 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.271 -3.167 -7.459 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.937 -2.653 -6.446 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.761 -4.249 -8.937 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.081 -3.155 -5.981 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.529 -3.441 -6.649 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.708 -4.608 -9.775 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.736 -4.270 -8.814 1.00 0.00 H new ATOM 1357 N LEU A 90 -1.720 -5.811 -3.244 1.00 0.00 N ATOM 1358 CA LEU A 90 -0.443 -5.759 -2.554 1.00 0.00 C ATOM 1359 C LEU A 90 0.122 -4.340 -2.640 1.00 0.00 C ATOM 1360 O LEU A 90 -0.187 -3.600 -3.573 1.00 0.00 O ATOM 1361 CB LEU A 90 0.503 -6.831 -3.098 1.00 0.00 C ATOM 1362 CG LEU A 90 1.207 -7.699 -2.053 1.00 0.00 C ATOM 1363 CD1 LEU A 90 1.617 -9.048 -2.646 1.00 0.00 C ATOM 1364 CD2 LEU A 90 2.394 -6.960 -1.434 1.00 0.00 C ATOM 0 H LEU A 90 -1.736 -6.413 -4.067 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.572 -5.987 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.064 -7.484 -3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.263 -6.341 -3.706 1.00 0.00 H new ATOM 0 HG LEU A 90 0.501 -7.903 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.115 -9.645 -1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.730 -9.575 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.298 -8.886 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.876 -7.600 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.110 -6.704 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.043 -6.048 -0.951 1.00 0.00 H new ATOM 1376 N GLY A 91 0.938 -4.001 -1.653 1.00 0.00 N ATOM 1377 CA GLY A 91 1.549 -2.683 -1.606 1.00 0.00 C ATOM 1378 C GLY A 91 2.981 -2.762 -1.073 1.00 0.00 C ATOM 1379 O GLY A 91 3.350 -2.024 -0.160 1.00 0.00 O ATOM 0 H GLY A 91 1.191 -4.616 -0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.552 -2.244 -2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.956 -2.026 -0.970 1.00 0.00 H new ATOM 1383 N CYS A 92 3.751 -3.661 -1.668 1.00 0.00 N ATOM 1384 CA CYS A 92 5.136 -3.845 -1.264 1.00 0.00 C ATOM 1385 C CYS A 92 5.973 -4.090 -2.521 1.00 0.00 C ATOM 1386 O CYS A 92 6.780 -5.017 -2.563 1.00 0.00 O ATOM 1387 CB CYS A 92 5.283 -4.982 -0.250 1.00 0.00 C ATOM 1388 SG CYS A 92 3.881 -4.956 0.926 1.00 0.00 S ATOM 0 H CYS A 92 3.443 -4.270 -2.426 1.00 0.00 H new ATOM 0 HA CYS A 92 5.493 -2.948 -0.759 1.00 0.00 H new ATOM 0 HB2 CYS A 92 5.316 -5.940 -0.768 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.224 -4.879 0.291 1.00 0.00 H new ATOM 0 HG CYS A 92 4.336 -4.963 2.144 1.00 0.00 H new ATOM 1394 N GLN A 93 5.753 -3.241 -3.515 1.00 0.00 N ATOM 1395 CA GLN A 93 6.478 -3.353 -4.769 1.00 0.00 C ATOM 1396 C GLN A 93 6.096 -2.207 -5.707 1.00 0.00 C ATOM 1397 O GLN A 93 6.947 -1.669 -6.415 1.00 0.00 O ATOM 1398 CB GLN A 93 6.224 -4.709 -5.429 1.00 0.00 C ATOM 1399 CG GLN A 93 4.725 -4.999 -5.528 1.00 0.00 C ATOM 1400 CD GLN A 93 4.412 -6.432 -5.092 1.00 0.00 C ATOM 1401 OE1 GLN A 93 4.954 -7.397 -5.606 1.00 0.00 O ATOM 1402 NE2 GLN A 93 3.511 -6.517 -4.118 1.00 0.00 N ATOM 0 H GLN A 93 5.083 -2.473 -3.477 1.00 0.00 H new ATOM 0 HA GLN A 93 7.545 -3.283 -4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 93 6.667 -4.721 -6.425 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.713 -5.495 -4.853 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.173 -4.297 -4.903 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.389 -4.846 -6.553 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.096 -5.669 -3.732 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.235 -7.430 -3.757 1.00 0.00 H new ATOM 1411 N ILE A 94 4.816 -1.866 -5.682 1.00 0.00 N ATOM 1412 CA ILE A 94 4.311 -0.792 -6.521 1.00 0.00 C ATOM 1413 C ILE A 94 4.908 0.537 -6.056 1.00 0.00 C ATOM 1414 O ILE A 94 5.253 0.691 -4.885 1.00 0.00 O ATOM 1415 CB ILE A 94 2.782 -0.805 -6.545 1.00 0.00 C ATOM 1416 CG1 ILE A 94 2.246 -0.052 -7.765 1.00 0.00 C ATOM 1417 CG2 ILE A 94 2.209 -0.256 -5.237 1.00 0.00 C ATOM 1418 CD1 ILE A 94 2.296 -0.931 -9.017 1.00 0.00 C ATOM 0 H ILE A 94 4.113 -2.314 -5.094 1.00 0.00 H new ATOM 0 HA ILE A 94 4.624 -0.937 -7.555 1.00 0.00 H new ATOM 0 HB ILE A 94 2.451 -1.840 -6.634 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.220 0.265 -7.579 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.834 0.851 -7.927 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.120 -0.276 -5.280 1.00 0.00 H new ATOM 0 HG22 ILE A 94 2.551 -0.870 -4.404 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.548 0.770 -5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.910 -0.372 -9.869 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.327 -1.226 -9.214 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.687 -1.822 -8.861 1.00 0.00 H new ATOM 1430 N CYS A 95 5.011 1.465 -6.997 1.00 0.00 N ATOM 1431 CA CYS A 95 5.560 2.777 -6.697 1.00 0.00 C ATOM 1432 C CYS A 95 4.419 3.795 -6.733 1.00 0.00 C ATOM 1433 O CYS A 95 3.520 3.696 -7.567 1.00 0.00 O ATOM 1434 CB CYS A 95 6.689 3.150 -7.660 1.00 0.00 C ATOM 1435 SG CYS A 95 6.127 2.951 -9.391 1.00 0.00 S ATOM 0 H CYS A 95 4.724 1.334 -7.967 1.00 0.00 H new ATOM 0 HA CYS A 95 6.006 2.769 -5.703 1.00 0.00 H new ATOM 0 HB2 CYS A 95 7.001 4.180 -7.486 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.558 2.519 -7.476 1.00 0.00 H new ATOM 0 HG CYS A 95 4.841 3.131 -9.453 1.00 0.00 H new ATOM 1441 N LEU A 96 4.491 4.750 -5.817 1.00 0.00 N ATOM 1442 CA LEU A 96 3.475 5.785 -5.734 1.00 0.00 C ATOM 1443 C LEU A 96 3.304 6.438 -7.106 1.00 0.00 C ATOM 1444 O LEU A 96 4.170 6.311 -7.971 1.00 0.00 O ATOM 1445 CB LEU A 96 3.813 6.777 -4.619 1.00 0.00 C ATOM 1446 CG LEU A 96 3.444 6.343 -3.199 1.00 0.00 C ATOM 1447 CD1 LEU A 96 3.378 7.547 -2.257 1.00 0.00 C ATOM 1448 CD2 LEU A 96 2.141 5.539 -3.193 1.00 0.00 C ATOM 0 H LEU A 96 5.237 4.828 -5.126 1.00 0.00 H new ATOM 0 HA LEU A 96 2.511 5.352 -5.465 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.884 6.976 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.307 7.719 -4.832 1.00 0.00 H new ATOM 0 HG LEU A 96 4.230 5.686 -2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.114 7.211 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.349 8.041 -2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.624 8.248 -2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.901 5.243 -2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.333 6.152 -3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.260 4.649 -3.811 1.00 0.00 H new ATOM 1460 N THR A 97 2.180 7.120 -7.264 1.00 0.00 N ATOM 1461 CA THR A 97 1.884 7.793 -8.518 1.00 0.00 C ATOM 1462 C THR A 97 1.061 9.057 -8.263 1.00 0.00 C ATOM 1463 O THR A 97 0.930 9.497 -7.123 1.00 0.00 O ATOM 1464 CB THR A 97 1.187 6.790 -9.440 1.00 0.00 C ATOM 1465 OG1 THR A 97 -0.199 6.960 -9.152 1.00 0.00 O ATOM 1466 CG2 THR A 97 1.473 5.338 -9.048 1.00 0.00 C ATOM 0 H THR A 97 1.463 7.221 -6.545 1.00 0.00 H new ATOM 0 HA THR A 97 2.796 8.130 -9.011 1.00 0.00 H new ATOM 0 HB THR A 97 1.507 6.959 -10.468 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.726 6.348 -9.708 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.955 4.667 -9.734 1.00 0.00 H new ATOM 0 HG22 THR A 97 2.546 5.152 -9.099 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.122 5.160 -8.032 1.00 0.00 H new ATOM 1474 N LYS A 98 0.528 9.606 -9.346 1.00 0.00 N ATOM 1475 CA LYS A 98 -0.278 10.811 -9.254 1.00 0.00 C ATOM 1476 C LYS A 98 -1.714 10.432 -8.889 1.00 0.00 C ATOM 1477 O LYS A 98 -2.364 11.126 -8.108 1.00 0.00 O ATOM 1478 CB LYS A 98 -0.167 11.631 -10.541 1.00 0.00 C ATOM 1479 CG LYS A 98 1.214 12.280 -10.659 1.00 0.00 C ATOM 1480 CD LYS A 98 1.112 13.674 -11.283 1.00 0.00 C ATOM 1481 CE LYS A 98 2.045 14.661 -10.576 1.00 0.00 C ATOM 0 H LYS A 98 0.639 9.238 -10.291 1.00 0.00 H new ATOM 0 HA LYS A 98 0.094 11.457 -8.459 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.346 10.988 -11.403 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.938 12.402 -10.553 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.672 12.352 -9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.865 11.652 -11.267 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.366 13.622 -12.342 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.084 14.031 -11.219 1.00 0.00 H new ATOM 1495 N ALA A 99 -2.169 9.333 -9.473 1.00 0.00 N ATOM 1496 CA ALA A 99 -3.516 8.853 -9.219 1.00 0.00 C ATOM 1497 C ALA A 99 -3.706 8.650 -7.715 1.00 0.00 C ATOM 1498 O ALA A 99 -4.835 8.571 -7.233 1.00 0.00 O ATOM 1499 CB ALA A 99 -3.760 7.571 -10.016 1.00 0.00 C ATOM 0 H ALA A 99 -1.628 8.761 -10.122 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.253 9.586 -9.548 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.771 7.211 -9.825 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.643 7.776 -11.080 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.041 6.811 -9.712 1.00 0.00 H new ATOM 1505 N MET A 100 -2.584 8.572 -7.015 1.00 0.00 N ATOM 1506 CA MET A 100 -2.613 8.379 -5.574 1.00 0.00 C ATOM 1507 C MET A 100 -2.940 9.688 -4.853 1.00 0.00 C ATOM 1508 O MET A 100 -4.016 9.830 -4.274 1.00 0.00 O ATOM 1509 CB MET A 100 -1.253 7.862 -5.102 1.00 0.00 C ATOM 1510 CG MET A 100 -0.835 6.619 -5.891 1.00 0.00 C ATOM 1511 SD MET A 100 -2.064 5.337 -5.709 1.00 0.00 S ATOM 1512 CE MET A 100 -2.073 4.679 -7.367 1.00 0.00 C ATOM 0 H MET A 100 -1.649 8.639 -7.418 1.00 0.00 H new ATOM 0 HA MET A 100 -3.390 7.652 -5.338 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.502 8.643 -5.222 1.00 0.00 H new ATOM 0 HB3 MET A 100 -1.299 7.624 -4.039 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.714 6.871 -6.945 1.00 0.00 H new ATOM 0 HG3 MET A 100 0.131 6.261 -5.536 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.958 4.059 -7.507 1.00 0.00 H new ATOM 0 HE2 MET A 100 -2.088 5.500 -8.084 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.179 4.076 -7.524 1.00 0.00 H new ATOM 1522 N ASP A 101 -1.992 10.612 -4.911 1.00 0.00 N ATOM 1523 CA ASP A 101 -2.167 11.904 -4.271 1.00 0.00 C ATOM 1524 C ASP A 101 -3.351 11.834 -3.304 1.00 0.00 C ATOM 1525 O ASP A 101 -4.494 12.057 -3.700 1.00 0.00 O ATOM 1526 CB ASP A 101 -2.462 12.995 -5.302 1.00 0.00 C ATOM 1527 CG ASP A 101 -3.637 12.700 -6.237 1.00 0.00 C ATOM 1528 OD1 ASP A 101 -3.974 13.508 -7.115 1.00 0.00 O ATOM 1529 OD2 ASP A 101 -4.224 11.569 -6.034 1.00 0.00 O ATOM 0 H ASP A 101 -1.100 10.491 -5.391 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.244 12.146 -3.744 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.662 13.928 -4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -1.568 13.155 -5.905 1.00 0.00 H new ATOM 1535 N ASN A 102 -3.036 11.524 -2.055 1.00 0.00 N ATOM 1536 CA ASN A 102 -4.059 11.421 -1.029 1.00 0.00 C ATOM 1537 C ASN A 102 -4.721 10.043 -1.110 1.00 0.00 C ATOM 1538 O ASN A 102 -5.924 9.915 -0.887 1.00 0.00 O ATOM 1539 CB ASN A 102 -5.147 12.480 -1.228 1.00 0.00 C ATOM 1540 CG ASN A 102 -4.531 13.854 -1.495 1.00 0.00 C ATOM 1541 OD1 ASN A 102 -3.394 13.982 -1.917 1.00 0.00 O ATOM 1542 ND2 ASN A 102 -5.344 14.872 -1.226 1.00 0.00 N ATOM 0 H ASN A 102 -2.087 11.341 -1.730 1.00 0.00 H new ATOM 0 HA ASN A 102 -3.581 11.571 -0.061 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.788 12.196 -2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -5.780 12.527 -0.342 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -5.026 15.830 -1.371 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -6.285 14.694 -0.875 1.00 0.00 H new ATOM 1549 N MET A 103 -3.906 9.049 -1.428 1.00 0.00 N ATOM 1550 CA MET A 103 -4.396 7.686 -1.541 1.00 0.00 C ATOM 1551 C MET A 103 -4.515 7.031 -0.163 1.00 0.00 C ATOM 1552 O MET A 103 -3.538 6.955 0.579 1.00 0.00 O ATOM 1553 CB MET A 103 -3.440 6.870 -2.414 1.00 0.00 C ATOM 1554 CG MET A 103 -2.279 6.317 -1.586 1.00 0.00 C ATOM 1555 SD MET A 103 -1.078 5.544 -2.658 1.00 0.00 S ATOM 1556 CE MET A 103 -1.934 4.026 -3.038 1.00 0.00 C ATOM 0 H MET A 103 -2.909 9.160 -1.611 1.00 0.00 H new ATOM 0 HA MET A 103 -5.386 7.712 -1.997 1.00 0.00 H new ATOM 0 HB2 MET A 103 -3.981 6.048 -2.882 1.00 0.00 H new ATOM 0 HB3 MET A 103 -3.052 7.496 -3.218 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.809 7.122 -1.020 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.651 5.593 -0.861 1.00 0.00 H new ATOM 0 HE1 MET A 103 -1.658 3.693 -4.038 1.00 0.00 H new ATOM 0 HE2 MET A 103 -1.658 3.261 -2.312 1.00 0.00 H new ATOM 0 HE3 MET A 103 -3.010 4.195 -2.996 1.00 0.00 H new ATOM 1566 N THR A 104 -5.722 6.574 0.137 1.00 0.00 N ATOM 1567 CA THR A 104 -5.981 5.928 1.412 1.00 0.00 C ATOM 1568 C THR A 104 -5.950 4.406 1.254 1.00 0.00 C ATOM 1569 O THR A 104 -6.400 3.874 0.241 1.00 0.00 O ATOM 1570 CB THR A 104 -7.315 6.456 1.947 1.00 0.00 C ATOM 1571 OG1 THR A 104 -6.989 7.732 2.492 1.00 0.00 O ATOM 1572 CG2 THR A 104 -7.822 5.656 3.149 1.00 0.00 C ATOM 0 H THR A 104 -6.531 6.638 -0.481 1.00 0.00 H new ATOM 0 HA THR A 104 -5.205 6.164 2.140 1.00 0.00 H new ATOM 0 HB THR A 104 -8.061 6.429 1.153 1.00 0.00 H new ATOM 0 HG1 THR A 104 -7.797 8.147 2.860 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.770 6.072 3.489 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.965 4.615 2.859 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.092 5.710 3.956 1.00 0.00 H new ATOM 1580 N VAL A 105 -5.415 3.749 2.273 1.00 0.00 N ATOM 1581 CA VAL A 105 -5.319 2.299 2.261 1.00 0.00 C ATOM 1582 C VAL A 105 -5.720 1.754 3.634 1.00 0.00 C ATOM 1583 O VAL A 105 -5.806 2.506 4.603 1.00 0.00 O ATOM 1584 CB VAL A 105 -3.912 1.872 1.835 1.00 0.00 C ATOM 1585 CG1 VAL A 105 -3.479 2.603 0.563 1.00 0.00 C ATOM 1586 CG2 VAL A 105 -2.907 2.094 2.966 1.00 0.00 C ATOM 0 H VAL A 105 -5.044 4.194 3.112 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.008 1.876 1.530 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.937 0.805 1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.476 2.281 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.174 2.371 -0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.478 3.678 0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.915 1.783 2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.886 3.151 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.202 1.507 3.836 1.00 0.00 H new ATOM 1596 N ARG A 106 -5.953 0.451 3.671 1.00 0.00 N ATOM 1597 CA ARG A 106 -6.343 -0.204 4.909 1.00 0.00 C ATOM 1598 C ARG A 106 -5.502 -1.463 5.131 1.00 0.00 C ATOM 1599 O ARG A 106 -5.066 -2.100 4.174 1.00 0.00 O ATOM 1600 CB ARG A 106 -7.824 -0.586 4.887 1.00 0.00 C ATOM 1601 CG ARG A 106 -8.296 -1.032 6.273 1.00 0.00 C ATOM 1602 CD ARG A 106 -9.817 -0.920 6.397 1.00 0.00 C ATOM 1603 NE ARG A 106 -10.266 -1.521 7.672 1.00 0.00 N ATOM 1604 CZ ARG A 106 -11.418 -1.196 8.296 1.00 0.00 C ATOM 1605 NH1 ARG A 106 -12.248 -0.273 7.767 1.00 0.00 N ATOM 1606 NH2 ARG A 106 -11.721 -1.796 9.434 1.00 0.00 N ATOM 0 H ARG A 106 -5.880 -0.169 2.865 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.173 0.499 5.724 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.418 0.265 4.553 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.985 -1.389 4.168 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -7.988 -2.062 6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.819 -0.419 7.038 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.118 0.127 6.353 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -10.297 -1.425 5.559 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.668 -2.224 8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.007 0.186 6.888 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.116 -0.034 8.246 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -11.088 -2.493 9.827 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -12.587 -1.562 9.919 1.00 0.00 H new ATOM 1619 N VAL A 107 -5.298 -1.783 6.401 1.00 0.00 N ATOM 1620 CA VAL A 107 -4.517 -2.954 6.761 1.00 0.00 C ATOM 1621 C VAL A 107 -5.438 -4.003 7.387 1.00 0.00 C ATOM 1622 O VAL A 107 -5.751 -3.932 8.574 1.00 0.00 O ATOM 1623 CB VAL A 107 -3.362 -2.549 7.679 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -2.462 -3.748 7.990 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -2.554 -1.401 7.070 1.00 0.00 C ATOM 0 H VAL A 107 -5.660 -1.252 7.193 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.069 -3.402 5.874 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.789 -2.197 8.618 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.649 -3.433 8.644 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.047 -4.523 8.485 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.049 -4.143 7.062 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.739 -1.133 7.743 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.144 -1.714 6.110 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.203 -0.537 6.923 1.00 0.00 H new ATOM 1635 N PRO A 108 -5.858 -4.978 6.536 1.00 0.00 N ATOM 1636 CA PRO A 108 -6.737 -6.041 6.993 1.00 0.00 C ATOM 1637 C PRO A 108 -5.972 -7.061 7.840 1.00 0.00 C ATOM 1638 O PRO A 108 -4.982 -6.718 8.484 1.00 0.00 O ATOM 1639 CB PRO A 108 -7.321 -6.642 5.725 1.00 0.00 C ATOM 1640 CG PRO A 108 -6.400 -6.207 4.596 1.00 0.00 C ATOM 1641 CD PRO A 108 -5.508 -5.095 5.124 1.00 0.00 C ATOM 0 HA PRO A 108 -7.529 -5.678 7.648 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -7.369 -7.729 5.794 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -8.338 -6.288 5.558 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.798 -7.047 4.249 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.981 -5.858 3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.453 -5.339 4.996 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.685 -4.160 4.593 1.00 0.00 H new