USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=23 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 100 MET CE :methyl 148:sc= -1.09 (180deg=-1.56) USER MOD Set 1.2: A 103 MET CE :methyl 165:sc= -7.46! (180deg=-8.34!) USER MOD Set 2.1: A 85 THR OG1 : rot -3:sc= -1.85! USER MOD Set 2.2: A 88 SER OG : rot -101:sc= -1.07! USER MOD Set 3.1: A 53 SER OG : rot -13:sc= -2.38 USER MOD Set 3.2: A 77 MET CE :methyl 173:sc= -3.66 (180deg=-3.26!) USER MOD Set 4.1: A 46 CYS SG : rot -70:sc= 1.21 USER MOD Set 4.2: A 49 THR OG1 : rot -112:sc= 0.985 USER MOD Set 4.3: A 52 CYS SG : rot 180:sc= 0.801 USER MOD Set 5.1: A 21 THR OG1 : rot -80:sc= -0.987 USER MOD Set 5.2: A 36 ASN : amide:sc= -2.19 K(o=-3.2,f=-7.8!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -1.25 K(o=-1.2,f=-6.1!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.45! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc=-0.00948 X(o=-0.0095,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.028 X(o=-0.028,f=-0.32) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 55 CYS SG : rot -33:sc= -1.09 USER MOD Single : A 61 GLN : amide:sc= -2.15 K(o=-2.1,f=-3.4!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot -152:sc= -10.8! USER MOD Single : A 93 GLN : amide:sc= -5.82! C(o=-5.8!,f=-12!) USER MOD Single : A 95 CYS SG : rot 180:sc= 0.0145 USER MOD Single : A 97 THR OG1 : rot 120:sc= -1.62! USER MOD Single : A 102 ASN : amide:sc= -0.0655 K(o=-0.066,f=-2.2) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N ASP A 5 9.214 16.363 -5.681 1.00 0.00 N ATOM 51 CA ASP A 5 7.845 15.876 -5.686 1.00 0.00 C ATOM 52 C ASP A 5 7.635 14.943 -4.493 1.00 0.00 C ATOM 53 O ASP A 5 8.598 14.442 -3.915 1.00 0.00 O ATOM 54 CB ASP A 5 7.547 15.086 -6.963 1.00 0.00 C ATOM 55 CG ASP A 5 6.290 15.524 -7.715 1.00 0.00 C ATOM 56 OD1 ASP A 5 5.760 16.623 -7.489 1.00 0.00 O ATOM 57 OD2 ASP A 5 5.847 14.674 -8.579 1.00 0.00 O ATOM 0 HA ASP A 5 7.180 16.738 -5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.402 15.172 -7.634 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.449 14.031 -6.705 1.00 0.00 H new ATOM 63 N LYS A 6 6.370 14.738 -4.158 1.00 0.00 N ATOM 64 CA LYS A 6 6.021 13.874 -3.043 1.00 0.00 C ATOM 65 C LYS A 6 4.499 13.728 -2.973 1.00 0.00 C ATOM 66 O LYS A 6 3.767 14.633 -3.371 1.00 0.00 O ATOM 67 CB LYS A 6 6.649 14.391 -1.748 1.00 0.00 C ATOM 68 CG LYS A 6 6.355 15.880 -1.551 1.00 0.00 C ATOM 69 CD LYS A 6 7.252 16.478 -0.464 1.00 0.00 C ATOM 70 CE LYS A 6 7.286 18.004 -0.561 1.00 0.00 C ATOM 0 H LYS A 6 5.574 15.156 -4.639 1.00 0.00 H new ATOM 0 HA LYS A 6 6.431 12.875 -3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.262 13.825 -0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.727 14.230 -1.773 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.511 16.412 -2.489 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.308 16.015 -1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.886 16.180 0.519 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.262 16.081 -0.562 1.00 0.00 H new ATOM 84 N ILE A 7 4.069 12.585 -2.462 1.00 0.00 N ATOM 85 CA ILE A 7 2.649 12.309 -2.334 1.00 0.00 C ATOM 86 C ILE A 7 2.321 12.007 -0.871 1.00 0.00 C ATOM 87 O ILE A 7 3.220 11.762 -0.067 1.00 0.00 O ATOM 88 CB ILE A 7 2.229 11.197 -3.300 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.509 9.818 -2.702 1.00 0.00 C ATOM 90 CG2 ILE A 7 2.896 11.378 -4.665 1.00 0.00 C ATOM 91 CD1 ILE A 7 2.494 8.737 -3.786 1.00 0.00 C ATOM 0 H ILE A 7 4.680 11.838 -2.131 1.00 0.00 H new ATOM 0 HA ILE A 7 2.065 13.185 -2.618 1.00 0.00 H new ATOM 0 HB ILE A 7 1.152 11.266 -3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.478 9.824 -2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.761 9.588 -1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.582 10.576 -5.333 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.603 12.339 -5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.979 11.349 -4.547 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.696 7.766 -3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.516 8.717 -4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.260 8.957 -4.530 1.00 0.00 H new ATOM 103 N THR A 8 1.031 12.035 -0.568 1.00 0.00 N ATOM 104 CA THR A 8 0.574 11.768 0.786 1.00 0.00 C ATOM 105 C THR A 8 -0.151 10.423 0.847 1.00 0.00 C ATOM 106 O THR A 8 -1.175 10.235 0.191 1.00 0.00 O ATOM 107 CB THR A 8 -0.292 12.947 1.233 1.00 0.00 C ATOM 108 OG1 THR A 8 0.613 14.046 1.274 1.00 0.00 O ATOM 109 CG2 THR A 8 -0.772 12.805 2.680 1.00 0.00 C ATOM 0 H THR A 8 0.288 12.238 -1.237 1.00 0.00 H new ATOM 0 HA THR A 8 1.412 11.682 1.478 1.00 0.00 H new ATOM 0 HB THR A 8 -1.154 13.036 0.572 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.134 14.854 1.553 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.382 13.668 2.947 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.365 11.896 2.779 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.090 12.750 3.345 1.00 0.00 H new ATOM 117 N VAL A 9 0.407 9.520 1.641 1.00 0.00 N ATOM 118 CA VAL A 9 -0.174 8.199 1.797 1.00 0.00 C ATOM 119 C VAL A 9 -0.763 8.068 3.203 1.00 0.00 C ATOM 120 O VAL A 9 -0.152 8.502 4.178 1.00 0.00 O ATOM 121 CB VAL A 9 0.873 7.126 1.485 1.00 0.00 C ATOM 122 CG1 VAL A 9 0.241 5.733 1.467 1.00 0.00 C ATOM 123 CG2 VAL A 9 1.584 7.424 0.164 1.00 0.00 C ATOM 0 H VAL A 9 1.256 9.679 2.183 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.989 8.055 1.088 1.00 0.00 H new ATOM 0 HB VAL A 9 1.620 7.144 2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.006 4.989 1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.198 5.520 2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.536 5.696 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.323 6.647 -0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.854 7.446 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.083 8.391 0.229 1.00 0.00 H new ATOM 133 N HIS A 10 -1.941 7.465 3.263 1.00 0.00 N ATOM 134 CA HIS A 10 -2.619 7.272 4.533 1.00 0.00 C ATOM 135 C HIS A 10 -2.868 5.780 4.760 1.00 0.00 C ATOM 136 O HIS A 10 -3.141 5.041 3.814 1.00 0.00 O ATOM 137 CB HIS A 10 -3.902 8.103 4.597 1.00 0.00 C ATOM 138 CG HIS A 10 -3.668 9.595 4.601 1.00 0.00 C ATOM 139 ND1 HIS A 10 -3.258 10.286 5.729 1.00 0.00 N ATOM 140 CD2 HIS A 10 -3.788 10.519 3.606 1.00 0.00 C ATOM 141 CE1 HIS A 10 -3.142 11.567 5.414 1.00 0.00 C ATOM 0 H HIS A 10 -2.443 7.104 2.452 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.984 7.627 5.345 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.532 7.847 3.745 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.455 7.830 5.496 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -3.076 9.878 6.646 1.00 0.00 H new ATOM 150 N PHE A 11 -2.765 5.379 6.018 1.00 0.00 N ATOM 151 CA PHE A 11 -2.975 3.988 6.381 1.00 0.00 C ATOM 152 C PHE A 11 -3.941 3.869 7.563 1.00 0.00 C ATOM 153 O PHE A 11 -3.733 4.489 8.604 1.00 0.00 O ATOM 154 CB PHE A 11 -1.615 3.422 6.793 1.00 0.00 C ATOM 155 CG PHE A 11 -0.612 3.315 5.642 1.00 0.00 C ATOM 156 CD1 PHE A 11 0.022 4.428 5.185 1.00 0.00 C ATOM 157 CD2 PHE A 11 -0.354 2.106 5.074 1.00 0.00 C ATOM 158 CE1 PHE A 11 0.952 4.329 4.117 1.00 0.00 C ATOM 159 CE2 PHE A 11 0.576 2.006 4.006 1.00 0.00 C ATOM 160 CZ PHE A 11 1.209 3.120 3.551 1.00 0.00 C ATOM 0 H PHE A 11 -2.539 5.994 6.800 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.404 3.445 5.538 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.191 4.054 7.573 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.761 2.433 7.228 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.182 5.388 5.635 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.857 1.222 5.436 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.455 5.213 3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.780 1.046 3.555 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.917 3.044 2.739 1.00 0.00 H new ATOM 170 N ILE A 12 -4.977 3.069 7.360 1.00 0.00 N ATOM 171 CA ILE A 12 -5.976 2.860 8.395 1.00 0.00 C ATOM 172 C ILE A 12 -5.568 1.666 9.259 1.00 0.00 C ATOM 173 O ILE A 12 -5.757 0.516 8.864 1.00 0.00 O ATOM 174 CB ILE A 12 -7.368 2.725 7.775 1.00 0.00 C ATOM 175 CG1 ILE A 12 -7.634 3.847 6.771 1.00 0.00 C ATOM 176 CG2 ILE A 12 -8.446 2.659 8.859 1.00 0.00 C ATOM 177 CD1 ILE A 12 -8.736 3.452 5.785 1.00 0.00 C ATOM 0 H ILE A 12 -5.147 2.557 6.494 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.029 3.726 9.055 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.406 1.785 7.224 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.924 4.754 7.302 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.718 4.076 6.226 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.426 2.563 8.392 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.264 1.797 9.501 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.417 3.570 9.457 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.905 4.268 5.082 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.432 2.559 5.238 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.657 3.247 6.331 1.00 0.00 H new ATOM 189 N ASN A 13 -5.015 1.979 10.421 1.00 0.00 N ATOM 190 CA ASN A 13 -4.578 0.946 11.344 1.00 0.00 C ATOM 191 C ASN A 13 -5.768 0.055 11.706 1.00 0.00 C ATOM 192 O ASN A 13 -6.900 0.529 11.791 1.00 0.00 O ATOM 193 CB ASN A 13 -4.034 1.556 12.638 1.00 0.00 C ATOM 194 CG ASN A 13 -2.701 0.915 13.028 1.00 0.00 C ATOM 195 OD1 ASN A 13 -1.632 1.371 12.660 1.00 0.00 O ATOM 196 ND2 ASN A 13 -2.825 -0.165 13.795 1.00 0.00 N ATOM 0 H ASN A 13 -4.859 2.934 10.745 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.790 0.371 10.857 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.901 2.630 12.510 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.757 1.417 13.442 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.994 -0.664 14.111 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.751 -0.494 14.067 1.00 0.00 H new ATOM 203 N ARG A 14 -5.472 -1.220 11.909 1.00 0.00 N ATOM 204 CA ARG A 14 -6.503 -2.182 12.260 1.00 0.00 C ATOM 205 C ARG A 14 -7.348 -1.655 13.422 1.00 0.00 C ATOM 206 O ARG A 14 -8.523 -1.995 13.543 1.00 0.00 O ATOM 207 CB ARG A 14 -5.891 -3.529 12.652 1.00 0.00 C ATOM 208 CG ARG A 14 -5.072 -4.115 11.501 1.00 0.00 C ATOM 209 CD ARG A 14 -4.450 -5.456 11.898 1.00 0.00 C ATOM 210 NE ARG A 14 -5.509 -6.477 12.061 1.00 0.00 N ATOM 211 CZ ARG A 14 -5.345 -7.636 12.732 1.00 0.00 C ATOM 212 NH1 ARG A 14 -4.161 -7.934 13.308 1.00 0.00 N ATOM 213 NH2 ARG A 14 -6.360 -8.476 12.814 1.00 0.00 N ATOM 0 H ARG A 14 -4.532 -1.610 11.837 1.00 0.00 H new ATOM 0 HA ARG A 14 -7.134 -2.325 11.383 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.255 -3.402 13.528 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.682 -4.225 12.931 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.710 -4.250 10.628 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.286 -3.416 11.216 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.739 -5.776 11.136 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.893 -5.346 12.828 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.420 -6.293 11.640 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.381 -7.281 13.238 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.046 -8.813 13.813 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.251 -8.244 12.374 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.254 -9.357 13.317 1.00 0.00 H new ATOM 226 N ASP A 15 -6.714 -0.833 14.245 1.00 0.00 N ATOM 227 CA ASP A 15 -7.393 -0.255 15.393 1.00 0.00 C ATOM 228 C ASP A 15 -8.552 0.618 14.909 1.00 0.00 C ATOM 229 O ASP A 15 -9.559 0.758 15.601 1.00 0.00 O ATOM 230 CB ASP A 15 -6.444 0.627 16.207 1.00 0.00 C ATOM 231 CG ASP A 15 -6.529 0.441 17.724 1.00 0.00 C ATOM 232 OD1 ASP A 15 -7.588 0.651 18.335 1.00 0.00 O ATOM 233 OD2 ASP A 15 -5.435 0.057 18.288 1.00 0.00 O ATOM 0 H ASP A 15 -5.739 -0.554 14.140 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.752 -1.072 16.019 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.421 0.425 15.888 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.651 1.671 15.972 1.00 0.00 H new ATOM 239 N GLY A 16 -8.371 1.183 13.724 1.00 0.00 N ATOM 240 CA GLY A 16 -9.389 2.039 13.139 1.00 0.00 C ATOM 241 C GLY A 16 -8.833 3.436 12.855 1.00 0.00 C ATOM 242 O GLY A 16 -9.448 4.216 12.129 1.00 0.00 O ATOM 0 H GLY A 16 -7.534 1.065 13.153 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.755 1.594 12.214 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.240 2.113 13.816 1.00 0.00 H new ATOM 246 N GLU A 17 -7.677 3.709 13.441 1.00 0.00 N ATOM 247 CA GLU A 17 -7.033 4.998 13.260 1.00 0.00 C ATOM 248 C GLU A 17 -6.389 5.079 11.875 1.00 0.00 C ATOM 249 O GLU A 17 -6.073 4.054 11.272 1.00 0.00 O ATOM 250 CB GLU A 17 -6.000 5.254 14.360 1.00 0.00 C ATOM 251 CG GLU A 17 -4.842 4.259 14.268 1.00 0.00 C ATOM 252 CD GLU A 17 -4.153 4.091 15.625 1.00 0.00 C ATOM 253 OE1 GLU A 17 -3.937 5.084 16.336 1.00 0.00 O ATOM 254 OE2 GLU A 17 -3.841 2.878 15.931 1.00 0.00 O ATOM 0 H GLU A 17 -7.170 3.059 14.042 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.793 5.776 13.332 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.618 6.271 14.275 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.477 5.173 15.337 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.214 3.294 13.923 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.119 4.605 13.529 1.00 0.00 H new ATOM 262 N THR A 18 -6.212 6.308 11.410 1.00 0.00 N ATOM 263 CA THR A 18 -5.612 6.535 10.107 1.00 0.00 C ATOM 264 C THR A 18 -4.254 7.222 10.258 1.00 0.00 C ATOM 265 O THR A 18 -4.142 8.242 10.936 1.00 0.00 O ATOM 266 CB THR A 18 -6.606 7.335 9.261 1.00 0.00 C ATOM 267 OG1 THR A 18 -7.490 6.348 8.738 1.00 0.00 O ATOM 268 CG2 THR A 18 -5.957 7.950 8.020 1.00 0.00 C ATOM 0 H THR A 18 -6.474 7.156 11.913 1.00 0.00 H new ATOM 0 HA THR A 18 -5.411 5.594 9.595 1.00 0.00 H new ATOM 0 HB THR A 18 -7.046 8.125 9.869 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.168 6.780 8.178 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.706 8.506 7.456 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.157 8.625 8.324 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.546 7.158 7.394 1.00 0.00 H new ATOM 276 N LEU A 19 -3.255 6.635 9.616 1.00 0.00 N ATOM 277 CA LEU A 19 -1.908 7.178 9.671 1.00 0.00 C ATOM 278 C LEU A 19 -1.672 8.070 8.450 1.00 0.00 C ATOM 279 O LEU A 19 -2.343 7.922 7.430 1.00 0.00 O ATOM 280 CB LEU A 19 -0.882 6.052 9.817 1.00 0.00 C ATOM 281 CG LEU A 19 -1.082 5.114 11.009 1.00 0.00 C ATOM 282 CD1 LEU A 19 -1.828 5.819 12.143 1.00 0.00 C ATOM 283 CD2 LEU A 19 -1.779 3.822 10.579 1.00 0.00 C ATOM 0 H LEU A 19 -3.351 5.789 9.055 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.786 7.806 10.554 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.894 5.456 8.905 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.110 6.498 9.893 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.101 4.837 11.394 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.957 5.130 12.978 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.254 6.685 12.473 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.805 6.145 11.788 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.909 3.173 11.445 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.754 4.059 10.154 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.171 3.312 9.832 1.00 0.00 H new ATOM 295 N THR A 20 -0.717 8.976 8.596 1.00 0.00 N ATOM 296 CA THR A 20 -0.384 9.892 7.518 1.00 0.00 C ATOM 297 C THR A 20 1.113 9.834 7.211 1.00 0.00 C ATOM 298 O THR A 20 1.939 10.147 8.068 1.00 0.00 O ATOM 299 CB THR A 20 -0.869 11.288 7.917 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.289 11.179 7.905 1.00 0.00 O ATOM 301 CG2 THR A 20 -0.566 12.340 6.848 1.00 0.00 C ATOM 0 H THR A 20 -0.163 9.096 9.444 1.00 0.00 H new ATOM 0 HA THR A 20 -0.884 9.610 6.592 1.00 0.00 H new ATOM 0 HB THR A 20 -0.401 11.580 8.857 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.685 12.040 8.153 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.930 13.312 7.180 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.510 12.393 6.684 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.062 12.066 5.917 1.00 0.00 H new ATOM 309 N THR A 21 1.419 9.429 5.987 1.00 0.00 N ATOM 310 CA THR A 21 2.803 9.326 5.557 1.00 0.00 C ATOM 311 C THR A 21 2.926 9.665 4.070 1.00 0.00 C ATOM 312 O THR A 21 2.254 9.063 3.235 1.00 0.00 O ATOM 313 CB THR A 21 3.301 7.921 5.903 1.00 0.00 C ATOM 314 OG1 THR A 21 4.714 8.001 5.729 1.00 0.00 O ATOM 315 CG2 THR A 21 2.860 6.874 4.879 1.00 0.00 C ATOM 0 H THR A 21 0.732 9.168 5.280 1.00 0.00 H new ATOM 0 HA THR A 21 3.434 10.048 6.076 1.00 0.00 H new ATOM 0 HB THR A 21 2.935 7.640 6.890 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.931 7.924 4.776 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.240 5.895 5.172 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.771 6.843 4.837 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.254 7.137 3.897 1.00 0.00 H new ATOM 323 N LYS A 22 3.791 10.628 3.785 1.00 0.00 N ATOM 324 CA LYS A 22 4.011 11.054 2.413 1.00 0.00 C ATOM 325 C LYS A 22 4.984 10.089 1.734 1.00 0.00 C ATOM 326 O LYS A 22 5.974 9.675 2.335 1.00 0.00 O ATOM 327 CB LYS A 22 4.463 12.515 2.372 1.00 0.00 C ATOM 328 CG LYS A 22 5.841 12.680 3.016 1.00 0.00 C ATOM 329 CD LYS A 22 6.344 14.119 2.875 1.00 0.00 C ATOM 330 CE LYS A 22 5.515 15.076 3.733 1.00 0.00 C ATOM 0 H LYS A 22 4.347 11.125 4.481 1.00 0.00 H new ATOM 0 HA LYS A 22 3.080 11.017 1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.497 12.860 1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.737 13.139 2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.788 12.411 4.071 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.549 11.996 2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.391 14.173 3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.293 14.425 1.830 1.00 0.00 H new ATOM 344 N GLY A 23 4.670 9.759 0.490 1.00 0.00 N ATOM 345 CA GLY A 23 5.506 8.851 -0.278 1.00 0.00 C ATOM 346 C GLY A 23 6.414 9.621 -1.239 1.00 0.00 C ATOM 347 O GLY A 23 7.024 10.619 -0.856 1.00 0.00 O ATOM 0 H GLY A 23 3.848 10.104 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.113 8.250 0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.878 8.161 -0.841 1.00 0.00 H new ATOM 351 N LYS A 24 6.475 9.129 -2.467 1.00 0.00 N ATOM 352 CA LYS A 24 7.298 9.758 -3.486 1.00 0.00 C ATOM 353 C LYS A 24 7.228 8.934 -4.772 1.00 0.00 C ATOM 354 O LYS A 24 8.099 8.104 -5.031 1.00 0.00 O ATOM 355 CB LYS A 24 8.722 9.970 -2.968 1.00 0.00 C ATOM 356 CG LYS A 24 9.685 10.269 -4.118 1.00 0.00 C ATOM 357 CD LYS A 24 11.000 10.852 -3.595 1.00 0.00 C ATOM 358 CE LYS A 24 11.502 11.974 -4.506 1.00 0.00 C ATOM 0 H LYS A 24 5.968 8.301 -2.780 1.00 0.00 H new ATOM 0 HA LYS A 24 6.918 10.752 -3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.734 10.794 -2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.054 9.081 -2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.885 9.355 -4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.222 10.971 -4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.856 11.236 -2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.752 10.065 -3.533 1.00 0.00 H new ATOM 372 N ILE A 25 6.185 9.192 -5.546 1.00 0.00 N ATOM 373 CA ILE A 25 5.990 8.484 -6.801 1.00 0.00 C ATOM 374 C ILE A 25 7.285 7.765 -7.182 1.00 0.00 C ATOM 375 O ILE A 25 8.270 8.406 -7.547 1.00 0.00 O ATOM 376 CB ILE A 25 5.475 9.438 -7.880 1.00 0.00 C ATOM 377 CG1 ILE A 25 5.873 8.954 -9.276 1.00 0.00 C ATOM 378 CG2 ILE A 25 5.943 10.870 -7.615 1.00 0.00 C ATOM 379 CD1 ILE A 25 4.962 7.817 -9.743 1.00 0.00 C ATOM 0 H ILE A 25 5.465 9.882 -5.329 1.00 0.00 H new ATOM 0 HA ILE A 25 5.221 7.719 -6.692 1.00 0.00 H new ATOM 0 HB ILE A 25 4.386 9.443 -7.839 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.817 9.783 -9.982 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.909 8.614 -9.265 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.563 11.528 -8.397 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.568 11.202 -6.647 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.033 10.902 -7.612 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.267 7.492 -10.738 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.039 6.981 -9.048 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.930 8.168 -9.776 1.00 0.00 H new ATOM 391 N GLY A 26 7.243 6.445 -7.086 1.00 0.00 N ATOM 392 CA GLY A 26 8.401 5.633 -7.417 1.00 0.00 C ATOM 393 C GLY A 26 9.001 4.996 -6.160 1.00 0.00 C ATOM 394 O GLY A 26 9.836 4.097 -6.254 1.00 0.00 O ATOM 0 H GLY A 26 6.424 5.917 -6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.114 4.853 -8.122 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.152 6.249 -7.911 1.00 0.00 H new ATOM 398 N ASP A 27 8.554 5.488 -5.015 1.00 0.00 N ATOM 399 CA ASP A 27 9.035 4.978 -3.742 1.00 0.00 C ATOM 400 C ASP A 27 8.258 3.713 -3.377 1.00 0.00 C ATOM 401 O ASP A 27 7.136 3.514 -3.841 1.00 0.00 O ATOM 402 CB ASP A 27 8.825 6.001 -2.624 1.00 0.00 C ATOM 403 CG ASP A 27 9.345 5.574 -1.250 1.00 0.00 C ATOM 404 OD1 ASP A 27 10.057 4.568 -1.122 1.00 0.00 O ATOM 405 OD2 ASP A 27 8.983 6.332 -0.271 1.00 0.00 O ATOM 0 H ASP A 27 7.863 6.235 -4.941 1.00 0.00 H new ATOM 0 HA ASP A 27 10.100 4.768 -3.844 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.315 6.932 -2.908 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.759 6.214 -2.542 1.00 0.00 H new ATOM 411 N SER A 28 8.885 2.890 -2.549 1.00 0.00 N ATOM 412 CA SER A 28 8.266 1.649 -2.116 1.00 0.00 C ATOM 413 C SER A 28 7.275 1.925 -0.984 1.00 0.00 C ATOM 414 O SER A 28 7.648 1.912 0.188 1.00 0.00 O ATOM 415 CB SER A 28 9.319 0.636 -1.665 1.00 0.00 C ATOM 416 OG SER A 28 10.067 0.119 -2.763 1.00 0.00 O ATOM 0 H SER A 28 9.815 3.059 -2.167 1.00 0.00 H new ATOM 0 HA SER A 28 7.730 1.221 -2.963 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.997 1.110 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.831 -0.185 -1.140 1.00 0.00 H new ATOM 0 HG SER A 28 10.730 -0.523 -2.434 1.00 0.00 H new ATOM 422 N LEU A 29 6.032 2.169 -1.373 1.00 0.00 N ATOM 423 CA LEU A 29 4.986 2.448 -0.404 1.00 0.00 C ATOM 424 C LEU A 29 5.186 1.561 0.826 1.00 0.00 C ATOM 425 O LEU A 29 4.845 1.953 1.941 1.00 0.00 O ATOM 426 CB LEU A 29 3.606 2.302 -1.049 1.00 0.00 C ATOM 427 CG LEU A 29 3.255 0.910 -1.574 1.00 0.00 C ATOM 428 CD1 LEU A 29 4.253 0.457 -2.641 1.00 0.00 C ATOM 429 CD2 LEU A 29 3.145 -0.097 -0.427 1.00 0.00 C ATOM 0 H LEU A 29 5.726 2.179 -2.346 1.00 0.00 H new ATOM 0 HA LEU A 29 5.047 3.482 -0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.852 2.593 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.537 3.009 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 29 2.277 0.963 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.979 -0.536 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.237 1.158 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.255 0.426 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.894 -1.079 -0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.097 -0.153 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.365 0.223 0.264 1.00 0.00 H new ATOM 441 N LEU A 30 5.739 0.381 0.582 1.00 0.00 N ATOM 442 CA LEU A 30 5.988 -0.564 1.657 1.00 0.00 C ATOM 443 C LEU A 30 7.011 0.030 2.626 1.00 0.00 C ATOM 444 O LEU A 30 6.741 0.156 3.820 1.00 0.00 O ATOM 445 CB LEU A 30 6.398 -1.924 1.088 1.00 0.00 C ATOM 446 CG LEU A 30 6.187 -3.127 2.010 1.00 0.00 C ATOM 447 CD1 LEU A 30 4.946 -3.923 1.599 1.00 0.00 C ATOM 448 CD2 LEU A 30 7.439 -4.006 2.061 1.00 0.00 C ATOM 0 H LEU A 30 6.021 0.059 -0.344 1.00 0.00 H new ATOM 0 HA LEU A 30 5.076 -0.743 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.839 -2.094 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.453 -1.879 0.817 1.00 0.00 H new ATOM 0 HG LEU A 30 6.012 -2.755 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.820 -4.772 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.067 -3.281 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.067 -4.283 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.262 -4.853 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.669 -4.370 1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.279 -3.421 2.437 1.00 0.00 H new ATOM 460 N ASP A 31 8.164 0.380 2.078 1.00 0.00 N ATOM 461 CA ASP A 31 9.230 0.959 2.879 1.00 0.00 C ATOM 462 C ASP A 31 8.707 2.212 3.586 1.00 0.00 C ATOM 463 O ASP A 31 8.968 2.414 4.772 1.00 0.00 O ATOM 464 CB ASP A 31 10.416 1.370 2.005 1.00 0.00 C ATOM 465 CG ASP A 31 11.263 0.210 1.478 1.00 0.00 C ATOM 466 OD1 ASP A 31 10.783 -0.632 0.703 1.00 0.00 O ATOM 467 OD2 ASP A 31 12.482 0.188 1.900 1.00 0.00 O ATOM 0 H ASP A 31 8.385 0.274 1.088 1.00 0.00 H new ATOM 0 HA ASP A 31 9.556 0.208 3.599 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.041 1.942 1.156 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.058 2.037 2.580 1.00 0.00 H new ATOM 473 N VAL A 32 7.980 3.020 2.829 1.00 0.00 N ATOM 474 CA VAL A 32 7.419 4.247 3.368 1.00 0.00 C ATOM 475 C VAL A 32 6.909 3.989 4.787 1.00 0.00 C ATOM 476 O VAL A 32 7.261 4.712 5.718 1.00 0.00 O ATOM 477 CB VAL A 32 6.334 4.781 2.431 1.00 0.00 C ATOM 478 CG1 VAL A 32 5.483 5.845 3.128 1.00 0.00 C ATOM 479 CG2 VAL A 32 6.946 5.329 1.140 1.00 0.00 C ATOM 0 H VAL A 32 7.766 2.849 1.846 1.00 0.00 H new ATOM 0 HA VAL A 32 8.184 5.021 3.433 1.00 0.00 H new ATOM 0 HB VAL A 32 5.681 3.949 2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.719 6.208 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.004 5.410 4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.119 6.675 3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.153 5.702 0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.632 6.141 1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.489 4.534 0.629 1.00 0.00 H new ATOM 489 N VAL A 33 6.088 2.956 4.909 1.00 0.00 N ATOM 490 CA VAL A 33 5.527 2.594 6.199 1.00 0.00 C ATOM 491 C VAL A 33 6.641 2.573 7.247 1.00 0.00 C ATOM 492 O VAL A 33 6.640 3.382 8.175 1.00 0.00 O ATOM 493 CB VAL A 33 4.783 1.262 6.090 1.00 0.00 C ATOM 494 CG1 VAL A 33 4.221 0.835 7.448 1.00 0.00 C ATOM 495 CG2 VAL A 33 3.675 1.336 5.038 1.00 0.00 C ATOM 0 H VAL A 33 5.798 2.358 4.135 1.00 0.00 H new ATOM 0 HA VAL A 33 4.794 3.335 6.519 1.00 0.00 H new ATOM 0 HB VAL A 33 5.499 0.505 5.770 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.697 -0.115 7.342 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.038 0.721 8.160 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.527 1.594 7.810 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.162 0.376 4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.962 2.112 5.315 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.110 1.573 4.067 1.00 0.00 H new ATOM 505 N VAL A 34 7.564 1.640 7.065 1.00 0.00 N ATOM 506 CA VAL A 34 8.680 1.503 7.984 1.00 0.00 C ATOM 507 C VAL A 34 9.410 2.844 8.097 1.00 0.00 C ATOM 508 O VAL A 34 9.817 3.243 9.187 1.00 0.00 O ATOM 509 CB VAL A 34 9.594 0.364 7.531 1.00 0.00 C ATOM 510 CG1 VAL A 34 10.928 0.398 8.280 1.00 0.00 C ATOM 511 CG2 VAL A 34 8.906 -0.992 7.701 1.00 0.00 C ATOM 0 H VAL A 34 7.561 0.972 6.294 1.00 0.00 H new ATOM 0 HA VAL A 34 8.324 1.241 8.980 1.00 0.00 H new ATOM 0 HB VAL A 34 9.802 0.505 6.470 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.558 -0.423 7.938 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.430 1.346 8.086 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.747 0.295 9.350 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.578 -1.785 7.371 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.654 -1.143 8.751 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.996 -1.016 7.102 1.00 0.00 H new ATOM 521 N GLN A 35 9.551 3.503 6.957 1.00 0.00 N ATOM 522 CA GLN A 35 10.223 4.790 6.914 1.00 0.00 C ATOM 523 C GLN A 35 9.462 5.815 7.758 1.00 0.00 C ATOM 524 O GLN A 35 10.016 6.844 8.142 1.00 0.00 O ATOM 525 CB GLN A 35 10.384 5.278 5.473 1.00 0.00 C ATOM 526 CG GLN A 35 11.298 4.344 4.677 1.00 0.00 C ATOM 527 CD GLN A 35 12.301 5.141 3.840 1.00 0.00 C ATOM 528 OE1 GLN A 35 11.947 6.022 3.073 1.00 0.00 O ATOM 529 NE2 GLN A 35 13.568 4.784 4.028 1.00 0.00 N ATOM 0 H GLN A 35 9.211 3.169 6.055 1.00 0.00 H new ATOM 0 HA GLN A 35 11.221 4.670 7.335 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.407 5.333 4.993 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.798 6.286 5.471 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.832 3.683 5.360 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.697 3.710 4.025 1.00 0.00 H new ATOM 0 HE21 GLN A 35 13.795 4.038 4.685 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.312 5.256 3.515 1.00 0.00 H new ATOM 538 N ASN A 36 8.203 5.498 8.021 1.00 0.00 N ATOM 539 CA ASN A 36 7.359 6.378 8.813 1.00 0.00 C ATOM 540 C ASN A 36 7.257 5.833 10.239 1.00 0.00 C ATOM 541 O ASN A 36 6.607 6.435 11.092 1.00 0.00 O ATOM 542 CB ASN A 36 5.945 6.454 8.233 1.00 0.00 C ATOM 543 CG ASN A 36 5.274 7.779 8.597 1.00 0.00 C ATOM 544 OD1 ASN A 36 4.316 7.833 9.350 1.00 0.00 O ATOM 545 ND2 ASN A 36 5.828 8.843 8.024 1.00 0.00 N ATOM 0 H ASN A 36 7.746 4.644 7.700 1.00 0.00 H new ATOM 0 HA ASN A 36 7.806 7.372 8.804 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.987 6.349 7.149 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.348 5.624 8.611 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.452 9.774 8.205 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.629 8.729 7.403 1.00 0.00 H new ATOM 552 N ASN A 37 7.908 4.699 10.452 1.00 0.00 N ATOM 553 CA ASN A 37 7.898 4.066 11.760 1.00 0.00 C ATOM 554 C ASN A 37 6.470 3.633 12.103 1.00 0.00 C ATOM 555 O ASN A 37 6.103 3.564 13.274 1.00 0.00 O ATOM 556 CB ASN A 37 8.371 5.035 12.845 1.00 0.00 C ATOM 557 CG ASN A 37 9.367 4.358 13.790 1.00 0.00 C ATOM 558 OD1 ASN A 37 9.283 3.175 14.077 1.00 0.00 O ATOM 559 ND2 ASN A 37 10.311 5.172 14.255 1.00 0.00 N ATOM 0 H ASN A 37 8.445 4.202 9.741 1.00 0.00 H new ATOM 0 HA ASN A 37 8.570 3.209 11.724 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.837 5.905 12.382 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.514 5.397 13.413 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.023 4.816 14.893 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.323 6.152 13.974 1.00 0.00 H new ATOM 566 N LEU A 38 5.705 3.354 11.058 1.00 0.00 N ATOM 567 CA LEU A 38 4.326 2.932 11.233 1.00 0.00 C ATOM 568 C LEU A 38 4.301 1.506 11.787 1.00 0.00 C ATOM 569 O LEU A 38 4.948 0.612 11.242 1.00 0.00 O ATOM 570 CB LEU A 38 3.544 3.098 9.929 1.00 0.00 C ATOM 571 CG LEU A 38 2.537 4.249 9.892 1.00 0.00 C ATOM 572 CD1 LEU A 38 3.074 5.471 10.640 1.00 0.00 C ATOM 573 CD2 LEU A 38 2.140 4.586 8.454 1.00 0.00 C ATOM 0 H LEU A 38 6.014 3.412 10.088 1.00 0.00 H new ATOM 0 HA LEU A 38 3.823 3.568 11.962 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.257 3.239 9.117 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.011 2.169 9.727 1.00 0.00 H new ATOM 0 HG LEU A 38 1.632 3.927 10.408 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.339 6.275 10.599 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.264 5.206 11.680 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.002 5.804 10.175 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.423 5.407 8.457 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.026 4.880 7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.687 3.711 7.987 1.00 0.00 H new ATOM 585 N ASP A 39 3.546 1.335 12.863 1.00 0.00 N ATOM 586 CA ASP A 39 3.429 0.033 13.496 1.00 0.00 C ATOM 587 C ASP A 39 2.198 -0.689 12.944 1.00 0.00 C ATOM 588 O ASP A 39 1.131 -0.661 13.555 1.00 0.00 O ATOM 589 CB ASP A 39 3.257 0.170 15.011 1.00 0.00 C ATOM 590 CG ASP A 39 4.191 -0.705 15.849 1.00 0.00 C ATOM 591 OD1 ASP A 39 4.797 -1.661 15.343 1.00 0.00 O ATOM 592 OD2 ASP A 39 4.286 -0.366 17.090 1.00 0.00 O ATOM 0 H ASP A 39 3.009 2.077 13.312 1.00 0.00 H new ATOM 0 HA ASP A 39 4.340 -0.527 13.286 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.416 1.213 15.287 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.226 -0.075 15.268 1.00 0.00 H new ATOM 598 N ILE A 40 2.387 -1.318 11.794 1.00 0.00 N ATOM 599 CA ILE A 40 1.305 -2.046 11.152 1.00 0.00 C ATOM 600 C ILE A 40 1.732 -3.499 10.935 1.00 0.00 C ATOM 601 O ILE A 40 2.875 -3.765 10.567 1.00 0.00 O ATOM 602 CB ILE A 40 0.868 -1.335 9.870 1.00 0.00 C ATOM 603 CG1 ILE A 40 0.538 0.133 10.143 1.00 0.00 C ATOM 604 CG2 ILE A 40 -0.297 -2.071 9.205 1.00 0.00 C ATOM 605 CD1 ILE A 40 0.612 0.960 8.857 1.00 0.00 C ATOM 0 H ILE A 40 3.273 -1.339 11.290 1.00 0.00 H new ATOM 0 HA ILE A 40 0.425 -2.065 11.794 1.00 0.00 H new ATOM 0 HB ILE A 40 1.702 -1.352 9.168 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.461 0.211 10.573 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.234 0.535 10.879 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.588 -1.545 8.296 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.010 -3.086 8.954 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.144 -2.107 9.891 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.373 2.000 9.079 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.618 0.899 8.443 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.103 0.570 8.132 1.00 0.00 H new ATOM 657 N GLY A 44 4.882 -5.417 5.012 1.00 0.00 N ATOM 658 CA GLY A 44 5.818 -6.268 4.297 1.00 0.00 C ATOM 659 C GLY A 44 6.967 -6.706 5.207 1.00 0.00 C ATOM 660 O GLY A 44 7.758 -5.878 5.657 1.00 0.00 O ATOM 0 HA2 GLY A 44 5.297 -7.146 3.915 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.216 -5.733 3.435 1.00 0.00 H new ATOM 664 N ALA A 45 7.024 -8.007 5.451 1.00 0.00 N ATOM 665 CA ALA A 45 8.064 -8.565 6.299 1.00 0.00 C ATOM 666 C ALA A 45 9.247 -8.998 5.430 1.00 0.00 C ATOM 667 O ALA A 45 10.446 -9.011 5.810 1.00 0.00 O ATOM 668 CB ALA A 45 7.488 -9.722 7.118 1.00 0.00 C ATOM 0 H ALA A 45 6.367 -8.691 5.076 1.00 0.00 H new ATOM 0 HA ALA A 45 8.428 -7.817 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.268 -10.141 7.754 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.670 -9.356 7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.115 -10.494 6.445 1.00 0.00 H new ATOM 674 N CYS A 46 8.930 -9.375 4.201 1.00 0.00 N ATOM 675 CA CYS A 46 9.897 -9.822 3.213 1.00 0.00 C ATOM 676 C CYS A 46 10.382 -8.716 2.297 1.00 0.00 C ATOM 677 O CYS A 46 11.088 -9.033 1.342 1.00 0.00 O ATOM 678 CB CYS A 46 9.388 -11.009 2.406 1.00 0.00 C ATOM 679 SG CYS A 46 8.090 -10.714 1.186 1.00 0.00 S ATOM 0 H CYS A 46 7.970 -9.378 3.856 1.00 0.00 H new ATOM 0 HA CYS A 46 10.761 -10.150 3.791 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.240 -11.449 1.887 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.021 -11.757 3.109 1.00 0.00 H new ATOM 0 HG CYS A 46 6.976 -10.435 1.796 1.00 0.00 H new ATOM 684 N GLU A 47 10.001 -7.477 2.570 1.00 0.00 N ATOM 685 CA GLU A 47 10.408 -6.366 1.727 1.00 0.00 C ATOM 686 C GLU A 47 9.634 -6.389 0.407 1.00 0.00 C ATOM 687 O GLU A 47 9.887 -5.576 -0.481 1.00 0.00 O ATOM 688 CB GLU A 47 11.917 -6.390 1.478 1.00 0.00 C ATOM 689 CG GLU A 47 12.435 -5.000 1.107 1.00 0.00 C ATOM 690 CD GLU A 47 13.651 -4.623 1.956 1.00 0.00 C ATOM 691 OE1 GLU A 47 13.504 -4.315 3.148 1.00 0.00 O ATOM 692 OE2 GLU A 47 14.781 -4.659 1.336 1.00 0.00 O ATOM 0 H GLU A 47 9.415 -7.218 3.363 1.00 0.00 H new ATOM 0 HA GLU A 47 10.174 -5.437 2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.431 -6.747 2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.146 -7.093 0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.704 -4.978 0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.645 -4.263 1.250 1.00 0.00 H new ATOM 700 N GLY A 48 8.705 -7.330 0.320 1.00 0.00 N ATOM 701 CA GLY A 48 7.893 -7.471 -0.876 1.00 0.00 C ATOM 702 C GLY A 48 8.578 -8.377 -1.902 1.00 0.00 C ATOM 703 O GLY A 48 8.375 -8.222 -3.105 1.00 0.00 O ATOM 0 H GLY A 48 8.497 -8.002 1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.920 -7.885 -0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.713 -6.490 -1.315 1.00 0.00 H new ATOM 707 N THR A 49 9.376 -9.301 -1.388 1.00 0.00 N ATOM 708 CA THR A 49 10.092 -10.232 -2.243 1.00 0.00 C ATOM 709 C THR A 49 9.320 -11.546 -2.367 1.00 0.00 C ATOM 710 O THR A 49 9.836 -12.524 -2.906 1.00 0.00 O ATOM 711 CB THR A 49 11.502 -10.405 -1.675 1.00 0.00 C ATOM 712 OG1 THR A 49 11.287 -10.752 -0.311 1.00 0.00 O ATOM 713 CG2 THR A 49 12.273 -9.085 -1.607 1.00 0.00 C ATOM 0 H THR A 49 9.543 -9.425 -0.389 1.00 0.00 H new ATOM 0 HA THR A 49 10.180 -9.848 -3.259 1.00 0.00 H new ATOM 0 HB THR A 49 12.055 -11.116 -2.288 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.602 -10.025 0.265 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.267 -9.265 -1.197 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.364 -8.665 -2.609 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.738 -8.384 -0.967 1.00 0.00 H new ATOM 721 N LEU A 50 8.097 -11.527 -1.857 1.00 0.00 N ATOM 722 CA LEU A 50 7.250 -12.706 -1.904 1.00 0.00 C ATOM 723 C LEU A 50 7.799 -13.762 -0.944 1.00 0.00 C ATOM 724 O LEU A 50 8.615 -14.596 -1.333 1.00 0.00 O ATOM 725 CB LEU A 50 7.099 -13.202 -3.343 1.00 0.00 C ATOM 726 CG LEU A 50 6.422 -12.237 -4.318 1.00 0.00 C ATOM 727 CD1 LEU A 50 6.357 -12.834 -5.725 1.00 0.00 C ATOM 728 CD2 LEU A 50 5.041 -11.821 -3.807 1.00 0.00 C ATOM 0 H LEU A 50 7.673 -10.714 -1.410 1.00 0.00 H new ATOM 0 HA LEU A 50 6.242 -12.463 -1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.090 -13.442 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.529 -14.131 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 50 7.028 -11.333 -4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.871 -12.127 -6.398 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.367 -13.038 -6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.787 -13.762 -5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.581 -11.135 -4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.412 -12.705 -3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.144 -11.327 -2.841 1.00 0.00 H new ATOM 740 N ALA A 51 7.329 -13.693 0.294 1.00 0.00 N ATOM 741 CA ALA A 51 7.764 -14.634 1.312 1.00 0.00 C ATOM 742 C ALA A 51 6.833 -14.534 2.523 1.00 0.00 C ATOM 743 O ALA A 51 6.447 -15.551 3.098 1.00 0.00 O ATOM 744 CB ALA A 51 9.224 -14.355 1.676 1.00 0.00 C ATOM 0 H ALA A 51 6.652 -13.000 0.614 1.00 0.00 H new ATOM 0 HA ALA A 51 7.711 -15.656 0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.550 -15.061 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.848 -14.466 0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.316 -13.339 2.059 1.00 0.00 H new ATOM 750 N CYS A 52 6.500 -13.301 2.872 1.00 0.00 N ATOM 751 CA CYS A 52 5.621 -13.055 4.004 1.00 0.00 C ATOM 752 C CYS A 52 4.217 -13.539 3.635 1.00 0.00 C ATOM 753 O CYS A 52 3.573 -14.239 4.416 1.00 0.00 O ATOM 754 CB CYS A 52 5.627 -11.582 4.415 1.00 0.00 C ATOM 755 SG CYS A 52 5.304 -10.523 2.957 1.00 0.00 S ATOM 0 H CYS A 52 6.822 -12.461 2.392 1.00 0.00 H new ATOM 0 HA CYS A 52 5.979 -13.608 4.873 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.869 -11.406 5.178 1.00 0.00 H new ATOM 0 HB3 CYS A 52 6.589 -11.323 4.857 1.00 0.00 H new ATOM 0 HG CYS A 52 5.310 -9.274 3.318 1.00 0.00 H new ATOM 761 N SER A 53 3.783 -13.146 2.446 1.00 0.00 N ATOM 762 CA SER A 53 2.468 -13.532 1.965 1.00 0.00 C ATOM 763 C SER A 53 1.423 -12.512 2.425 1.00 0.00 C ATOM 764 O SER A 53 0.323 -12.456 1.879 1.00 0.00 O ATOM 765 CB SER A 53 2.091 -14.932 2.452 1.00 0.00 C ATOM 766 OG SER A 53 1.239 -15.607 1.530 1.00 0.00 O ATOM 0 H SER A 53 4.319 -12.564 1.802 1.00 0.00 H new ATOM 0 HA SER A 53 2.495 -13.551 0.876 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.997 -15.519 2.605 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.593 -14.858 3.418 1.00 0.00 H new ATOM 0 HG SER A 53 0.897 -14.967 0.871 1.00 0.00 H new ATOM 772 N THR A 54 1.806 -11.730 3.424 1.00 0.00 N ATOM 773 CA THR A 54 0.916 -10.715 3.963 1.00 0.00 C ATOM 774 C THR A 54 1.070 -9.405 3.187 1.00 0.00 C ATOM 775 O THR A 54 0.660 -9.313 2.030 1.00 0.00 O ATOM 776 CB THR A 54 1.210 -10.574 5.457 1.00 0.00 C ATOM 777 OG1 THR A 54 2.626 -10.695 5.546 1.00 0.00 O ATOM 778 CG2 THR A 54 0.683 -11.759 6.271 1.00 0.00 C ATOM 0 H THR A 54 2.720 -11.779 3.874 1.00 0.00 H new ATOM 0 HA THR A 54 -0.129 -11.004 3.849 1.00 0.00 H new ATOM 0 HB THR A 54 0.765 -9.651 5.829 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.903 -10.613 6.482 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.918 -11.610 7.325 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.397 -11.834 6.147 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.153 -12.678 5.921 1.00 0.00 H new ATOM 786 N CYS A 55 1.662 -8.426 3.854 1.00 0.00 N ATOM 787 CA CYS A 55 1.875 -7.125 3.243 1.00 0.00 C ATOM 788 C CYS A 55 0.592 -6.722 2.513 1.00 0.00 C ATOM 789 O CYS A 55 0.639 -5.989 1.526 1.00 0.00 O ATOM 790 CB CYS A 55 3.086 -7.132 2.307 1.00 0.00 C ATOM 791 SG CYS A 55 2.614 -7.816 0.677 1.00 0.00 S ATOM 0 H CYS A 55 2.001 -8.507 4.812 1.00 0.00 H new ATOM 0 HA CYS A 55 2.099 -6.389 4.015 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.470 -6.119 2.188 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.889 -7.728 2.742 1.00 0.00 H new ATOM 0 HG CYS A 55 1.707 -8.733 0.838 1.00 0.00 H new ATOM 797 N HIS A 56 -0.524 -7.218 3.027 1.00 0.00 N ATOM 798 CA HIS A 56 -1.817 -6.918 2.435 1.00 0.00 C ATOM 799 C HIS A 56 -2.187 -5.461 2.721 1.00 0.00 C ATOM 800 O HIS A 56 -1.617 -4.836 3.614 1.00 0.00 O ATOM 801 CB HIS A 56 -2.879 -7.905 2.924 1.00 0.00 C ATOM 802 CG HIS A 56 -3.003 -7.981 4.427 1.00 0.00 C ATOM 803 ND1 HIS A 56 -2.723 -6.910 5.257 1.00 0.00 N ATOM 804 CD2 HIS A 56 -3.380 -9.009 5.240 1.00 0.00 C ATOM 805 CE1 HIS A 56 -2.924 -7.288 6.510 1.00 0.00 C ATOM 0 H HIS A 56 -0.560 -7.825 3.846 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.762 -7.037 1.353 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.844 -7.621 2.504 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.643 -8.897 2.539 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.414 -5.986 4.955 1.00 0.00 H new ATOM 814 N LEU A 57 -3.137 -4.962 1.944 1.00 0.00 N ATOM 815 CA LEU A 57 -3.589 -3.590 2.101 1.00 0.00 C ATOM 816 C LEU A 57 -4.863 -3.380 1.282 1.00 0.00 C ATOM 817 O LEU A 57 -5.140 -4.137 0.352 1.00 0.00 O ATOM 818 CB LEU A 57 -2.465 -2.612 1.752 1.00 0.00 C ATOM 819 CG LEU A 57 -2.421 -1.320 2.570 1.00 0.00 C ATOM 820 CD1 LEU A 57 -2.177 -1.618 4.052 1.00 0.00 C ATOM 821 CD2 LEU A 57 -1.386 -0.347 2.003 1.00 0.00 C ATOM 0 H LEU A 57 -3.606 -5.483 1.204 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.843 -3.390 3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.512 -3.127 1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.554 -2.348 0.698 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.394 -0.834 2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.150 -0.683 4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.982 -2.246 4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.225 -2.137 4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.375 0.563 2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.399 -0.810 2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.645 -0.100 0.973 1.00 0.00 H new ATOM 833 N ILE A 58 -5.607 -2.349 1.656 1.00 0.00 N ATOM 834 CA ILE A 58 -6.845 -2.030 0.967 1.00 0.00 C ATOM 835 C ILE A 58 -6.719 -0.655 0.310 1.00 0.00 C ATOM 836 O ILE A 58 -6.572 0.355 0.998 1.00 0.00 O ATOM 837 CB ILE A 58 -8.035 -2.149 1.922 1.00 0.00 C ATOM 838 CG1 ILE A 58 -7.834 -3.301 2.908 1.00 0.00 C ATOM 839 CG2 ILE A 58 -9.349 -2.280 1.148 1.00 0.00 C ATOM 840 CD1 ILE A 58 -8.244 -4.637 2.282 1.00 0.00 C ATOM 0 H ILE A 58 -5.375 -1.724 2.428 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.033 -2.748 0.169 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.096 -1.231 2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.789 -3.344 3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.422 -3.121 3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.178 -2.363 1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.491 -1.400 0.521 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -9.314 -3.171 0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.091 -5.439 3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -9.296 -4.599 1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -7.637 -4.825 1.396 1.00 0.00 H new ATOM 852 N PHE A 59 -6.782 -0.658 -1.013 1.00 0.00 N ATOM 853 CA PHE A 59 -6.677 0.577 -1.770 1.00 0.00 C ATOM 854 C PHE A 59 -8.058 1.185 -2.022 1.00 0.00 C ATOM 855 O PHE A 59 -8.966 0.502 -2.491 1.00 0.00 O ATOM 856 CB PHE A 59 -6.036 0.225 -3.114 1.00 0.00 C ATOM 857 CG PHE A 59 -4.555 -0.147 -3.018 1.00 0.00 C ATOM 858 CD1 PHE A 59 -4.167 -1.200 -2.250 1.00 0.00 C ATOM 859 CD2 PHE A 59 -3.627 0.575 -3.701 1.00 0.00 C ATOM 860 CE1 PHE A 59 -2.792 -1.545 -2.160 1.00 0.00 C ATOM 861 CE2 PHE A 59 -2.252 0.230 -3.611 1.00 0.00 C ATOM 862 CZ PHE A 59 -1.864 -0.823 -2.843 1.00 0.00 C ATOM 0 H PHE A 59 -6.905 -1.497 -1.580 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.085 1.304 -1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.581 -0.608 -3.558 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.144 1.073 -3.790 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.904 -1.774 -1.708 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.935 1.411 -4.312 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.484 -2.381 -1.549 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.515 0.804 -4.153 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.819 -1.086 -2.776 1.00 0.00 H new ATOM 872 N GLU A 60 -8.174 2.466 -1.699 1.00 0.00 N ATOM 873 CA GLU A 60 -9.428 3.175 -1.885 1.00 0.00 C ATOM 874 C GLU A 60 -10.161 2.644 -3.118 1.00 0.00 C ATOM 875 O GLU A 60 -9.528 2.244 -4.095 1.00 0.00 O ATOM 876 CB GLU A 60 -9.196 4.682 -1.992 1.00 0.00 C ATOM 877 CG GLU A 60 -9.333 5.357 -0.625 1.00 0.00 C ATOM 878 CD GLU A 60 -9.043 6.857 -0.722 1.00 0.00 C ATOM 879 OE1 GLU A 60 -7.918 7.250 -1.060 1.00 0.00 O ATOM 880 OE2 GLU A 60 -10.039 7.623 -0.432 1.00 0.00 O ATOM 0 H GLU A 60 -7.419 3.031 -1.310 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.054 2.999 -1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.202 4.873 -2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.913 5.115 -2.689 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.340 5.202 -0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.645 4.895 0.083 1.00 0.00 H new ATOM 888 N GLN A 61 -11.483 2.656 -3.033 1.00 0.00 N ATOM 889 CA GLN A 61 -12.307 2.181 -4.131 1.00 0.00 C ATOM 890 C GLN A 61 -12.130 3.079 -5.356 1.00 0.00 C ATOM 891 O GLN A 61 -13.017 3.863 -5.690 1.00 0.00 O ATOM 892 CB GLN A 61 -13.779 2.103 -3.718 1.00 0.00 C ATOM 893 CG GLN A 61 -14.270 3.448 -3.181 1.00 0.00 C ATOM 894 CD GLN A 61 -14.237 3.474 -1.651 1.00 0.00 C ATOM 895 OE1 GLN A 61 -14.872 2.680 -0.977 1.00 0.00 O ATOM 896 NE2 GLN A 61 -13.463 4.429 -1.143 1.00 0.00 N ATOM 0 H GLN A 61 -12.004 2.987 -2.221 1.00 0.00 H new ATOM 0 HA GLN A 61 -11.982 1.174 -4.393 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -14.385 1.806 -4.574 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -13.906 1.335 -2.955 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -13.646 4.250 -3.575 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.286 3.634 -3.529 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -12.958 5.061 -1.765 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -13.374 4.529 -0.132 1.00 0.00 H new ATOM 905 N HIS A 62 -10.977 2.937 -5.994 1.00 0.00 N ATOM 906 CA HIS A 62 -10.672 3.725 -7.175 1.00 0.00 C ATOM 907 C HIS A 62 -9.194 3.560 -7.535 1.00 0.00 C ATOM 908 O HIS A 62 -8.827 3.613 -8.707 1.00 0.00 O ATOM 909 CB HIS A 62 -11.073 5.187 -6.970 1.00 0.00 C ATOM 910 CG HIS A 62 -12.164 5.662 -7.899 1.00 0.00 C ATOM 911 ND1 HIS A 62 -13.509 5.561 -7.589 1.00 0.00 N ATOM 912 CD2 HIS A 62 -12.095 6.241 -9.132 1.00 0.00 C ATOM 913 CE1 HIS A 62 -14.209 6.060 -8.598 1.00 0.00 C ATOM 0 H HIS A 62 -10.242 2.287 -5.714 1.00 0.00 H new ATOM 0 HA HIS A 62 -11.258 3.363 -8.020 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -11.403 5.321 -5.940 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -10.194 5.817 -7.107 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -13.896 5.169 -6.730 1.00 0.00 H new ATOM 922 N ILE A 63 -8.385 3.364 -6.504 1.00 0.00 N ATOM 923 CA ILE A 63 -6.956 3.190 -6.696 1.00 0.00 C ATOM 924 C ILE A 63 -6.672 1.741 -7.098 1.00 0.00 C ATOM 925 O ILE A 63 -5.871 1.488 -7.996 1.00 0.00 O ATOM 926 CB ILE A 63 -6.189 3.645 -5.453 1.00 0.00 C ATOM 927 CG1 ILE A 63 -6.798 4.921 -4.869 1.00 0.00 C ATOM 928 CG2 ILE A 63 -4.699 3.809 -5.758 1.00 0.00 C ATOM 929 CD1 ILE A 63 -6.838 6.038 -5.915 1.00 0.00 C ATOM 0 H ILE A 63 -8.693 3.322 -5.532 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.601 3.822 -7.510 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.279 2.869 -4.693 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.807 4.716 -4.512 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.215 5.245 -4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.177 4.133 -4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.289 2.856 -6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.568 4.555 -6.542 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.275 6.934 -5.474 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.825 6.257 -6.252 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.442 5.720 -6.764 1.00 0.00 H new ATOM 941 N PHE A 64 -7.344 0.828 -6.412 1.00 0.00 N ATOM 942 CA PHE A 64 -7.173 -0.588 -6.686 1.00 0.00 C ATOM 943 C PHE A 64 -7.385 -0.889 -8.171 1.00 0.00 C ATOM 944 O PHE A 64 -6.652 -1.682 -8.759 1.00 0.00 O ATOM 945 CB PHE A 64 -8.232 -1.333 -5.871 1.00 0.00 C ATOM 946 CG PHE A 64 -8.578 -2.719 -6.417 1.00 0.00 C ATOM 947 CD1 PHE A 64 -7.723 -3.759 -6.224 1.00 0.00 C ATOM 948 CD2 PHE A 64 -9.740 -2.912 -7.097 1.00 0.00 C ATOM 949 CE1 PHE A 64 -8.044 -5.046 -6.731 1.00 0.00 C ATOM 950 CE2 PHE A 64 -10.060 -4.199 -7.605 1.00 0.00 C ATOM 951 CZ PHE A 64 -9.206 -5.239 -7.411 1.00 0.00 C ATOM 0 H PHE A 64 -8.008 1.042 -5.667 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.162 -0.898 -6.420 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.879 -1.436 -4.845 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -9.140 -0.730 -5.837 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.800 -3.606 -5.685 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -10.419 -2.087 -7.251 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -7.365 -5.872 -6.577 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -10.982 -4.352 -8.146 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.450 -6.218 -7.797 1.00 0.00 H new ATOM 961 N GLU A 65 -8.392 -0.239 -8.736 1.00 0.00 N ATOM 962 CA GLU A 65 -8.710 -0.427 -10.141 1.00 0.00 C ATOM 963 C GLU A 65 -7.724 0.349 -11.017 1.00 0.00 C ATOM 964 O GLU A 65 -7.788 0.278 -12.243 1.00 0.00 O ATOM 965 CB GLU A 65 -10.152 -0.009 -10.438 1.00 0.00 C ATOM 966 CG GLU A 65 -10.347 1.490 -10.205 1.00 0.00 C ATOM 967 CD GLU A 65 -11.544 2.017 -10.999 1.00 0.00 C ATOM 968 OE1 GLU A 65 -12.697 1.709 -10.661 1.00 0.00 O ATOM 969 OE2 GLU A 65 -11.244 2.772 -12.000 1.00 0.00 O ATOM 0 H GLU A 65 -8.998 0.419 -8.246 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.618 -1.488 -10.375 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.401 -0.256 -11.470 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.836 -0.571 -9.802 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.499 1.680 -9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.446 2.028 -10.499 1.00 0.00 H new ATOM 977 N LYS A 66 -6.833 1.071 -10.352 1.00 0.00 N ATOM 978 CA LYS A 66 -5.835 1.858 -11.055 1.00 0.00 C ATOM 979 C LYS A 66 -4.502 1.107 -11.048 1.00 0.00 C ATOM 980 O LYS A 66 -3.737 1.186 -12.008 1.00 0.00 O ATOM 981 CB LYS A 66 -5.750 3.267 -10.463 1.00 0.00 C ATOM 982 CG LYS A 66 -6.936 4.122 -10.911 1.00 0.00 C ATOM 983 CD LYS A 66 -6.925 5.484 -10.214 1.00 0.00 C ATOM 984 CE LYS A 66 -8.112 6.340 -10.661 1.00 0.00 C ATOM 0 H LYS A 66 -6.782 1.127 -9.335 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.121 1.992 -12.098 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.730 3.208 -9.375 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.818 3.740 -10.773 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.900 4.262 -11.991 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.868 3.603 -10.688 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.960 5.344 -9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.993 6.003 -10.438 1.00 0.00 H new ATOM 998 N LEU A 67 -4.265 0.395 -9.956 1.00 0.00 N ATOM 999 CA LEU A 67 -3.038 -0.369 -9.812 1.00 0.00 C ATOM 1000 C LEU A 67 -2.738 -1.097 -11.124 1.00 0.00 C ATOM 1001 O LEU A 67 -3.636 -1.308 -11.939 1.00 0.00 O ATOM 1002 CB LEU A 67 -3.124 -1.298 -8.599 1.00 0.00 C ATOM 1003 CG LEU A 67 -3.341 -0.617 -7.247 1.00 0.00 C ATOM 1004 CD1 LEU A 67 -3.825 -1.621 -6.199 1.00 0.00 C ATOM 1005 CD2 LEU A 67 -2.078 0.119 -6.795 1.00 0.00 C ATOM 0 H LEU A 67 -4.902 0.331 -9.162 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.197 0.296 -9.616 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.939 -2.003 -8.763 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.204 -1.881 -8.547 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.125 0.131 -7.363 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.972 -1.111 -5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.768 -2.060 -6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.081 -2.408 -6.078 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.259 0.594 -5.831 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.257 -0.592 -6.700 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.817 0.879 -7.531 1.00 0.00 H new ATOM 1017 N GLU A 68 -1.476 -1.460 -11.288 1.00 0.00 N ATOM 1018 CA GLU A 68 -1.047 -2.159 -12.486 1.00 0.00 C ATOM 1019 C GLU A 68 -1.656 -3.562 -12.530 1.00 0.00 C ATOM 1020 O GLU A 68 -1.707 -4.251 -11.512 1.00 0.00 O ATOM 1021 CB GLU A 68 0.480 -2.221 -12.570 1.00 0.00 C ATOM 1022 CG GLU A 68 1.100 -0.846 -12.311 1.00 0.00 C ATOM 1023 CD GLU A 68 2.072 -0.895 -11.130 1.00 0.00 C ATOM 1024 OE1 GLU A 68 1.887 -1.703 -10.208 1.00 0.00 O ATOM 1025 OE2 GLU A 68 3.050 -0.057 -11.195 1.00 0.00 O ATOM 0 H GLU A 68 -0.735 -1.283 -10.610 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.403 -1.602 -13.353 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.859 -2.938 -11.842 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.779 -2.579 -13.555 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.624 -0.506 -13.204 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.312 -0.121 -12.108 1.00 0.00 H new ATOM 1033 N ALA A 69 -2.101 -3.943 -13.718 1.00 0.00 N ATOM 1034 CA ALA A 69 -2.704 -5.251 -13.906 1.00 0.00 C ATOM 1035 C ALA A 69 -1.865 -6.305 -13.182 1.00 0.00 C ATOM 1036 O ALA A 69 -0.639 -6.303 -13.281 1.00 0.00 O ATOM 1037 CB ALA A 69 -2.838 -5.541 -15.403 1.00 0.00 C ATOM 0 H ALA A 69 -2.056 -3.369 -14.560 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.706 -5.276 -13.477 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.290 -6.523 -15.544 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.468 -4.781 -15.866 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.851 -5.526 -15.866 1.00 0.00 H new ATOM 1043 N ILE A 70 -2.559 -7.178 -12.466 1.00 0.00 N ATOM 1044 CA ILE A 70 -1.891 -8.235 -11.725 1.00 0.00 C ATOM 1045 C ILE A 70 -1.641 -9.425 -12.654 1.00 0.00 C ATOM 1046 O ILE A 70 -2.583 -10.015 -13.180 1.00 0.00 O ATOM 1047 CB ILE A 70 -2.690 -8.594 -10.469 1.00 0.00 C ATOM 1048 CG1 ILE A 70 -1.872 -9.489 -9.536 1.00 0.00 C ATOM 1049 CG2 ILE A 70 -4.034 -9.225 -10.836 1.00 0.00 C ATOM 1050 CD1 ILE A 70 -2.213 -9.212 -8.071 1.00 0.00 C ATOM 0 H ILE A 70 -3.576 -7.175 -12.383 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.917 -7.896 -11.372 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.904 -7.674 -9.926 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.068 -10.536 -9.767 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.808 -9.319 -9.704 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.581 -9.470 -9.926 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.616 -8.521 -11.431 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.864 -10.134 -11.413 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.617 -9.862 -7.430 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.993 -8.170 -7.837 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.272 -9.406 -7.901 1.00 0.00 H new ATOM 1062 N THR A 71 -0.366 -9.740 -12.828 1.00 0.00 N ATOM 1063 CA THR A 71 0.021 -10.848 -13.684 1.00 0.00 C ATOM 1064 C THR A 71 -0.709 -12.127 -13.264 1.00 0.00 C ATOM 1065 O THR A 71 -1.314 -12.802 -14.095 1.00 0.00 O ATOM 1066 CB THR A 71 1.545 -10.974 -13.636 1.00 0.00 C ATOM 1067 OG1 THR A 71 1.969 -10.544 -14.926 1.00 0.00 O ATOM 1068 CG2 THR A 71 2.010 -12.429 -13.556 1.00 0.00 C ATOM 0 H THR A 71 0.412 -9.247 -12.391 1.00 0.00 H new ATOM 0 HA THR A 71 -0.272 -10.669 -14.719 1.00 0.00 H new ATOM 0 HB THR A 71 1.928 -10.423 -12.777 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.946 -10.592 -14.982 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.099 -12.462 -13.524 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.607 -12.891 -12.655 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.656 -12.973 -14.432 1.00 0.00 H new ATOM 1076 N ASP A 72 -0.626 -12.421 -11.975 1.00 0.00 N ATOM 1077 CA ASP A 72 -1.270 -13.606 -11.435 1.00 0.00 C ATOM 1078 C ASP A 72 -0.517 -14.065 -10.184 1.00 0.00 C ATOM 1079 O ASP A 72 -1.121 -14.268 -9.132 1.00 0.00 O ATOM 1080 CB ASP A 72 -1.250 -14.753 -12.447 1.00 0.00 C ATOM 1081 CG ASP A 72 0.039 -14.872 -13.264 1.00 0.00 C ATOM 1082 OD1 ASP A 72 1.138 -15.004 -12.706 1.00 0.00 O ATOM 1083 OD2 ASP A 72 -0.120 -14.826 -14.543 1.00 0.00 O ATOM 0 H ASP A 72 -0.122 -11.859 -11.289 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.303 -13.351 -11.200 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.413 -15.690 -11.915 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.087 -14.627 -13.133 1.00 0.00 H new ATOM 1089 N GLU A 73 0.790 -14.214 -10.341 1.00 0.00 N ATOM 1090 CA GLU A 73 1.631 -14.646 -9.237 1.00 0.00 C ATOM 1091 C GLU A 73 1.374 -13.778 -8.004 1.00 0.00 C ATOM 1092 O GLU A 73 1.209 -14.295 -6.900 1.00 0.00 O ATOM 1093 CB GLU A 73 3.110 -14.616 -9.631 1.00 0.00 C ATOM 1094 CG GLU A 73 4.003 -14.493 -8.395 1.00 0.00 C ATOM 1095 CD GLU A 73 5.435 -14.933 -8.708 1.00 0.00 C ATOM 1096 OE1 GLU A 73 6.338 -14.088 -8.802 1.00 0.00 O ATOM 1097 OE2 GLU A 73 5.595 -16.205 -8.854 1.00 0.00 O ATOM 0 H GLU A 73 1.287 -14.044 -11.215 1.00 0.00 H new ATOM 0 HA GLU A 73 1.375 -15.677 -8.991 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.363 -15.524 -10.178 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.294 -13.777 -10.302 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.004 -13.461 -8.044 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.599 -15.104 -7.588 1.00 0.00 H new ATOM 1105 N GLU A 74 1.350 -12.473 -8.233 1.00 0.00 N ATOM 1106 CA GLU A 74 1.116 -11.528 -7.153 1.00 0.00 C ATOM 1107 C GLU A 74 -0.289 -11.715 -6.579 1.00 0.00 C ATOM 1108 O GLU A 74 -0.513 -11.486 -5.392 1.00 0.00 O ATOM 1109 CB GLU A 74 1.329 -10.089 -7.629 1.00 0.00 C ATOM 1110 CG GLU A 74 2.653 -9.949 -8.381 1.00 0.00 C ATOM 1111 CD GLU A 74 2.999 -8.477 -8.612 1.00 0.00 C ATOM 1112 OE1 GLU A 74 3.561 -8.129 -9.662 1.00 0.00 O ATOM 1113 OE2 GLU A 74 2.664 -7.681 -7.655 1.00 0.00 O ATOM 0 H GLU A 74 1.489 -12.048 -9.150 1.00 0.00 H new ATOM 0 HA GLU A 74 1.838 -11.724 -6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.505 -9.792 -8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.320 -9.414 -6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.450 -10.429 -7.813 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.588 -10.466 -9.339 1.00 0.00 H new ATOM 1121 N ASN A 75 -1.198 -12.128 -7.449 1.00 0.00 N ATOM 1122 CA ASN A 75 -2.576 -12.349 -7.043 1.00 0.00 C ATOM 1123 C ASN A 75 -2.637 -13.540 -6.085 1.00 0.00 C ATOM 1124 O ASN A 75 -3.471 -13.572 -5.181 1.00 0.00 O ATOM 1125 CB ASN A 75 -3.461 -12.668 -8.249 1.00 0.00 C ATOM 1126 CG ASN A 75 -4.943 -12.556 -7.887 1.00 0.00 C ATOM 1127 OD1 ASN A 75 -5.426 -11.319 -7.957 1.00 0.00 O flip ATOM 1128 ND2 ASN A 75 -5.606 -13.528 -7.565 1.00 0.00 N flip ATOM 0 H ASN A 75 -1.008 -12.316 -8.433 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.935 -11.439 -6.562 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.230 -11.984 -9.065 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.245 -13.675 -8.606 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.174 -14.451 -7.531 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.592 -13.417 -7.330 1.00 0.00 H new ATOM 1135 N ASP A 76 -1.743 -14.490 -6.314 1.00 0.00 N ATOM 1136 CA ASP A 76 -1.684 -15.679 -5.482 1.00 0.00 C ATOM 1137 C ASP A 76 -1.140 -15.305 -4.102 1.00 0.00 C ATOM 1138 O ASP A 76 -1.633 -15.789 -3.084 1.00 0.00 O ATOM 1139 CB ASP A 76 -0.752 -16.730 -6.088 1.00 0.00 C ATOM 1140 CG ASP A 76 -0.313 -17.837 -5.127 1.00 0.00 C ATOM 1141 OD1 ASP A 76 -1.069 -18.779 -4.849 1.00 0.00 O ATOM 1142 OD2 ASP A 76 0.878 -17.703 -4.648 1.00 0.00 O ATOM 0 H ASP A 76 -1.053 -14.460 -7.065 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.691 -16.089 -5.409 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.252 -17.188 -6.942 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.137 -16.228 -6.471 1.00 0.00 H new ATOM 1148 N MET A 77 -0.131 -14.446 -4.111 1.00 0.00 N ATOM 1149 CA MET A 77 0.485 -14.000 -2.873 1.00 0.00 C ATOM 1150 C MET A 77 -0.442 -13.053 -2.109 1.00 0.00 C ATOM 1151 O MET A 77 -0.258 -12.829 -0.914 1.00 0.00 O ATOM 1152 CB MET A 77 1.801 -13.287 -3.186 1.00 0.00 C ATOM 1153 CG MET A 77 2.729 -13.287 -1.969 1.00 0.00 C ATOM 1154 SD MET A 77 3.856 -14.668 -2.061 1.00 0.00 S ATOM 1155 CE MET A 77 3.675 -15.327 -0.412 1.00 0.00 C ATOM 0 H MET A 77 0.275 -14.047 -4.957 1.00 0.00 H new ATOM 0 HA MET A 77 0.675 -14.873 -2.248 1.00 0.00 H new ATOM 0 HB2 MET A 77 2.295 -13.779 -4.024 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.599 -12.261 -3.493 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.289 -12.352 -1.928 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.141 -13.347 -1.053 1.00 0.00 H new ATOM 0 HE1 MET A 77 4.217 -16.270 -0.335 1.00 0.00 H new ATOM 0 HE2 MET A 77 4.078 -14.617 0.310 1.00 0.00 H new ATOM 0 HE3 MET A 77 2.619 -15.498 -0.202 1.00 0.00 H new ATOM 1165 N LEU A 78 -1.417 -12.522 -2.831 1.00 0.00 N ATOM 1166 CA LEU A 78 -2.374 -11.604 -2.236 1.00 0.00 C ATOM 1167 C LEU A 78 -3.498 -12.403 -1.574 1.00 0.00 C ATOM 1168 O LEU A 78 -4.027 -11.997 -0.540 1.00 0.00 O ATOM 1169 CB LEU A 78 -2.867 -10.595 -3.276 1.00 0.00 C ATOM 1170 CG LEU A 78 -4.367 -10.296 -3.261 1.00 0.00 C ATOM 1171 CD1 LEU A 78 -4.641 -8.847 -3.670 1.00 0.00 C ATOM 1172 CD2 LEU A 78 -5.134 -11.293 -4.133 1.00 0.00 C ATOM 0 H LEU A 78 -1.565 -12.710 -3.823 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.898 -11.014 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.328 -9.659 -3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.600 -10.964 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.729 -10.417 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.715 -8.660 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.143 -8.172 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.260 -8.675 -4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.198 -11.058 -4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.775 -11.229 -5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.976 -12.303 -3.756 1.00 0.00 H new ATOM 1184 N ASP A 79 -3.830 -13.525 -2.196 1.00 0.00 N ATOM 1185 CA ASP A 79 -4.881 -14.384 -1.680 1.00 0.00 C ATOM 1186 C ASP A 79 -4.741 -14.496 -0.160 1.00 0.00 C ATOM 1187 O ASP A 79 -5.721 -14.348 0.570 1.00 0.00 O ATOM 1188 CB ASP A 79 -4.781 -15.792 -2.268 1.00 0.00 C ATOM 1189 CG ASP A 79 -4.339 -16.876 -1.282 1.00 0.00 C ATOM 1190 OD1 ASP A 79 -5.002 -17.121 -0.263 1.00 0.00 O ATOM 1191 OD2 ASP A 79 -3.249 -17.490 -1.598 1.00 0.00 O ATOM 0 H ASP A 79 -3.389 -13.859 -3.053 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.840 -13.946 -1.956 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.753 -16.068 -2.677 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.079 -15.772 -3.101 1.00 0.00 H new ATOM 1197 N LEU A 80 -3.517 -14.756 0.273 1.00 0.00 N ATOM 1198 CA LEU A 80 -3.237 -14.890 1.692 1.00 0.00 C ATOM 1199 C LEU A 80 -3.941 -13.765 2.454 1.00 0.00 C ATOM 1200 O LEU A 80 -4.471 -13.986 3.543 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.728 -14.948 1.938 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.248 -16.025 2.914 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -2.055 -15.987 4.211 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -1.277 -17.409 2.260 1.00 0.00 C ATOM 0 H LEU A 80 -2.707 -14.878 -0.335 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.635 -15.831 2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.230 -15.105 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.403 -13.977 2.311 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.211 -15.814 3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.694 -16.762 4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.940 -15.011 4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.108 -16.161 3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.931 -18.156 2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.296 -17.645 1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.624 -17.413 1.387 1.00 0.00 H new ATOM 1216 N ALA A 81 -3.925 -12.585 1.853 1.00 0.00 N ATOM 1217 CA ALA A 81 -4.555 -11.426 2.462 1.00 0.00 C ATOM 1218 C ALA A 81 -5.859 -11.857 3.137 1.00 0.00 C ATOM 1219 O ALA A 81 -6.593 -12.688 2.606 1.00 0.00 O ATOM 1220 CB ALA A 81 -4.777 -10.349 1.398 1.00 0.00 C ATOM 0 H ALA A 81 -3.485 -12.406 0.950 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.912 -10.997 3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.250 -9.479 1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.818 -10.058 0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.422 -10.742 0.612 1.00 0.00 H new ATOM 1226 N TYR A 82 -6.107 -11.270 4.299 1.00 0.00 N ATOM 1227 CA TYR A 82 -7.310 -11.583 5.053 1.00 0.00 C ATOM 1228 C TYR A 82 -8.468 -10.675 4.637 1.00 0.00 C ATOM 1229 O TYR A 82 -8.287 -9.470 4.464 1.00 0.00 O ATOM 1230 CB TYR A 82 -6.969 -11.314 6.520 1.00 0.00 C ATOM 1231 CG TYR A 82 -6.918 -12.573 7.388 1.00 0.00 C ATOM 1232 CD1 TYR A 82 -8.072 -13.290 7.631 1.00 0.00 C ATOM 1233 CD2 TYR A 82 -5.719 -12.992 7.927 1.00 0.00 C ATOM 1234 CE1 TYR A 82 -8.025 -14.475 8.448 1.00 0.00 C ATOM 1235 CE2 TYR A 82 -5.671 -14.178 8.743 1.00 0.00 C ATOM 1236 CZ TYR A 82 -6.827 -14.861 8.963 1.00 0.00 C ATOM 1237 OH TYR A 82 -6.782 -15.981 9.734 1.00 0.00 O ATOM 0 H TYR A 82 -5.496 -10.580 4.737 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.617 -12.614 4.877 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.004 -10.810 6.572 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.709 -10.629 6.935 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.010 -12.962 7.208 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.816 -12.431 7.737 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -8.921 -15.044 8.647 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.739 -14.517 9.170 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.861 -16.136 10.032 1.00 0.00 H new ATOM 1247 N GLY A 83 -9.634 -11.287 4.489 1.00 0.00 N ATOM 1248 CA GLY A 83 -10.823 -10.549 4.096 1.00 0.00 C ATOM 1249 C GLY A 83 -10.844 -10.309 2.585 1.00 0.00 C ATOM 1250 O GLY A 83 -11.858 -10.545 1.930 1.00 0.00 O ATOM 0 H GLY A 83 -9.781 -12.286 4.634 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -11.714 -11.103 4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.852 -9.594 4.620 1.00 0.00 H new ATOM 1254 N LEU A 84 -9.715 -9.841 2.076 1.00 0.00 N ATOM 1255 CA LEU A 84 -9.592 -9.566 0.655 1.00 0.00 C ATOM 1256 C LEU A 84 -10.833 -8.811 0.176 1.00 0.00 C ATOM 1257 O LEU A 84 -11.753 -9.412 -0.379 1.00 0.00 O ATOM 1258 CB LEU A 84 -9.320 -10.858 -0.119 1.00 0.00 C ATOM 1259 CG LEU A 84 -7.858 -11.129 -0.479 1.00 0.00 C ATOM 1260 CD1 LEU A 84 -7.707 -12.484 -1.173 1.00 0.00 C ATOM 1261 CD2 LEU A 84 -7.279 -9.988 -1.318 1.00 0.00 C ATOM 0 H LEU A 84 -8.876 -9.645 2.622 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.734 -8.921 0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.690 -11.696 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.902 -10.836 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.281 -11.174 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.658 -12.652 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.055 -13.274 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.299 -12.492 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.239 -10.206 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.852 -9.887 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.333 -9.057 -0.753 1.00 0.00 H new ATOM 1273 N THR A 85 -10.821 -7.508 0.410 1.00 0.00 N ATOM 1274 CA THR A 85 -11.935 -6.665 0.009 1.00 0.00 C ATOM 1275 C THR A 85 -12.070 -6.647 -1.515 1.00 0.00 C ATOM 1276 O THR A 85 -11.411 -7.420 -2.209 1.00 0.00 O ATOM 1277 CB THR A 85 -11.721 -5.277 0.617 1.00 0.00 C ATOM 1278 OG1 THR A 85 -10.466 -4.858 0.090 1.00 0.00 O ATOM 1279 CG2 THR A 85 -11.492 -5.329 2.129 1.00 0.00 C ATOM 0 H THR A 85 -10.057 -7.014 0.872 1.00 0.00 H new ATOM 0 HA THR A 85 -12.881 -7.057 0.382 1.00 0.00 H new ATOM 0 HB THR A 85 -12.586 -4.649 0.403 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.081 -5.579 -0.450 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.346 -4.318 2.510 1.00 0.00 H new ATOM 0 HG22 THR A 85 -12.360 -5.777 2.613 1.00 0.00 H new ATOM 0 HG23 THR A 85 -10.607 -5.929 2.343 1.00 0.00 H new ATOM 1287 N ASP A 86 -12.927 -5.756 -1.991 1.00 0.00 N ATOM 1288 CA ASP A 86 -13.156 -5.626 -3.420 1.00 0.00 C ATOM 1289 C ASP A 86 -12.204 -4.575 -3.992 1.00 0.00 C ATOM 1290 O ASP A 86 -12.410 -4.082 -5.100 1.00 0.00 O ATOM 1291 CB ASP A 86 -14.589 -5.174 -3.710 1.00 0.00 C ATOM 1292 CG ASP A 86 -15.139 -5.600 -5.072 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -14.986 -4.888 -6.075 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -15.757 -6.733 -5.080 1.00 0.00 O ATOM 0 H ASP A 86 -13.472 -5.117 -1.412 1.00 0.00 H new ATOM 0 HA ASP A 86 -12.986 -6.600 -3.878 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.243 -5.568 -2.932 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.632 -4.087 -3.642 1.00 0.00 H new ATOM 1300 N ARG A 87 -11.180 -4.262 -3.210 1.00 0.00 N ATOM 1301 CA ARG A 87 -10.195 -3.279 -3.625 1.00 0.00 C ATOM 1302 C ARG A 87 -8.831 -3.602 -3.012 1.00 0.00 C ATOM 1303 O ARG A 87 -8.000 -2.713 -2.834 1.00 0.00 O ATOM 1304 CB ARG A 87 -10.615 -1.868 -3.204 1.00 0.00 C ATOM 1305 CG ARG A 87 -10.456 -1.676 -1.695 1.00 0.00 C ATOM 1306 CD ARG A 87 -11.471 -0.664 -1.161 1.00 0.00 C ATOM 1307 NE ARG A 87 -12.848 -1.161 -1.387 1.00 0.00 N ATOM 1308 CZ ARG A 87 -13.950 -0.616 -0.830 1.00 0.00 C ATOM 1309 NH1 ARG A 87 -13.847 0.449 -0.008 1.00 0.00 N ATOM 1310 NH2 ARG A 87 -15.130 -1.141 -1.102 1.00 0.00 N ATOM 0 H ARG A 87 -11.012 -4.672 -2.291 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.126 -3.317 -4.712 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.011 -1.132 -3.734 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.652 -1.693 -3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.588 -2.631 -1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.445 -1.334 -1.473 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.306 -0.498 -0.097 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -11.336 0.296 -1.659 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.971 -1.965 -2.002 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -12.931 0.849 0.197 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -14.685 0.855 0.409 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -15.199 -1.946 -1.725 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -15.973 -0.742 -0.690 1.00 0.00 H new ATOM 1323 N SER A 88 -8.644 -4.876 -2.704 1.00 0.00 N ATOM 1324 CA SER A 88 -7.394 -5.328 -2.114 1.00 0.00 C ATOM 1325 C SER A 88 -6.317 -5.446 -3.195 1.00 0.00 C ATOM 1326 O SER A 88 -6.631 -5.557 -4.379 1.00 0.00 O ATOM 1327 CB SER A 88 -7.577 -6.668 -1.397 1.00 0.00 C ATOM 1328 OG SER A 88 -8.731 -6.674 -0.562 1.00 0.00 O ATOM 0 H SER A 88 -9.336 -5.610 -2.851 1.00 0.00 H new ATOM 0 HA SER A 88 -7.078 -4.591 -1.375 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.660 -7.466 -2.135 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.693 -6.881 -0.795 1.00 0.00 H new ATOM 0 HG SER A 88 -8.461 -6.540 0.370 1.00 0.00 H new ATOM 1334 N ARG A 89 -5.071 -5.416 -2.748 1.00 0.00 N ATOM 1335 CA ARG A 89 -3.946 -5.517 -3.662 1.00 0.00 C ATOM 1336 C ARG A 89 -2.627 -5.429 -2.892 1.00 0.00 C ATOM 1337 O ARG A 89 -2.479 -4.594 -2.001 1.00 0.00 O ATOM 1338 CB ARG A 89 -3.990 -4.408 -4.716 1.00 0.00 C ATOM 1339 CG ARG A 89 -3.220 -4.817 -5.973 1.00 0.00 C ATOM 1340 CD ARG A 89 -4.175 -5.087 -7.136 1.00 0.00 C ATOM 1341 NE ARG A 89 -4.720 -6.459 -7.037 1.00 0.00 N ATOM 1342 CZ ARG A 89 -5.389 -7.083 -8.030 1.00 0.00 C ATOM 1343 NH1 ARG A 89 -5.602 -6.460 -9.209 1.00 0.00 N ATOM 1344 NH2 ARG A 89 -5.832 -8.311 -7.831 1.00 0.00 N ATOM 0 H ARG A 89 -4.815 -5.323 -1.765 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.013 -6.482 -4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.026 -4.188 -4.975 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.563 -3.493 -4.305 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.520 -4.028 -6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.629 -5.710 -5.768 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.989 -4.362 -7.124 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.651 -4.963 -8.084 1.00 0.00 H new ATOM 0 HE ARG A 89 -4.581 -6.966 -6.163 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.257 -5.511 -9.354 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.108 -6.938 -9.954 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -5.667 -8.774 -6.937 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -6.339 -8.796 -8.571 1.00 0.00 H new ATOM 1357 N LEU A 90 -1.701 -6.301 -3.265 1.00 0.00 N ATOM 1358 CA LEU A 90 -0.399 -6.331 -2.620 1.00 0.00 C ATOM 1359 C LEU A 90 0.064 -4.898 -2.349 1.00 0.00 C ATOM 1360 O LEU A 90 -0.293 -3.978 -3.082 1.00 0.00 O ATOM 1361 CB LEU A 90 0.591 -7.150 -3.450 1.00 0.00 C ATOM 1362 CG LEU A 90 1.860 -7.603 -2.726 1.00 0.00 C ATOM 1363 CD1 LEU A 90 1.715 -9.036 -2.209 1.00 0.00 C ATOM 1364 CD2 LEU A 90 3.090 -7.439 -3.621 1.00 0.00 C ATOM 0 H LEU A 90 -1.827 -6.991 -4.005 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.463 -6.834 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.076 -8.034 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.883 -6.559 -4.318 1.00 0.00 H new ATOM 0 HG LEU A 90 2.005 -6.960 -1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.631 -9.333 -1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.878 -9.089 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.532 -9.708 -3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.979 -7.768 -3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.968 -8.041 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.201 -6.391 -3.898 1.00 0.00 H new ATOM 1376 N GLY A 91 0.853 -4.755 -1.294 1.00 0.00 N ATOM 1377 CA GLY A 91 1.369 -3.450 -0.917 1.00 0.00 C ATOM 1378 C GLY A 91 2.698 -3.162 -1.619 1.00 0.00 C ATOM 1379 O GLY A 91 2.915 -2.059 -2.116 1.00 0.00 O ATOM 0 H GLY A 91 1.147 -5.521 -0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.643 -2.679 -1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.508 -3.408 0.163 1.00 0.00 H new ATOM 1383 N CYS A 92 3.552 -4.175 -1.635 1.00 0.00 N ATOM 1384 CA CYS A 92 4.854 -4.044 -2.267 1.00 0.00 C ATOM 1385 C CYS A 92 4.692 -4.326 -3.763 1.00 0.00 C ATOM 1386 O CYS A 92 3.579 -4.309 -4.284 1.00 0.00 O ATOM 1387 CB CYS A 92 5.891 -4.967 -1.623 1.00 0.00 C ATOM 1388 SG CYS A 92 7.274 -3.977 -0.947 1.00 0.00 S ATOM 0 H CYS A 92 3.368 -5.089 -1.221 1.00 0.00 H new ATOM 0 HA CYS A 92 5.229 -3.030 -2.127 1.00 0.00 H new ATOM 0 HB2 CYS A 92 5.427 -5.550 -0.827 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.267 -5.676 -2.360 1.00 0.00 H new ATOM 0 HG CYS A 92 8.360 -4.692 -0.946 1.00 0.00 H new ATOM 1394 N GLN A 93 5.821 -4.577 -4.410 1.00 0.00 N ATOM 1395 CA GLN A 93 5.819 -4.861 -5.836 1.00 0.00 C ATOM 1396 C GLN A 93 5.552 -3.581 -6.631 1.00 0.00 C ATOM 1397 O GLN A 93 6.406 -3.133 -7.395 1.00 0.00 O ATOM 1398 CB GLN A 93 4.792 -5.943 -6.177 1.00 0.00 C ATOM 1399 CG GLN A 93 5.482 -7.256 -6.547 1.00 0.00 C ATOM 1400 CD GLN A 93 5.187 -8.342 -5.511 1.00 0.00 C ATOM 1401 OE1 GLN A 93 4.363 -9.219 -5.711 1.00 0.00 O ATOM 1402 NE2 GLN A 93 5.903 -8.235 -4.395 1.00 0.00 N ATOM 0 H GLN A 93 6.743 -4.590 -3.974 1.00 0.00 H new ATOM 0 HA GLN A 93 6.803 -5.239 -6.114 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.131 -6.103 -5.325 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.169 -5.609 -7.007 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.143 -7.584 -7.530 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.558 -7.098 -6.617 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.577 -7.476 -4.292 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.778 -8.912 -3.642 1.00 0.00 H new ATOM 1411 N ILE A 94 4.365 -3.031 -6.425 1.00 0.00 N ATOM 1412 CA ILE A 94 3.976 -1.811 -7.114 1.00 0.00 C ATOM 1413 C ILE A 94 4.606 -0.609 -6.409 1.00 0.00 C ATOM 1414 O ILE A 94 4.883 -0.661 -5.211 1.00 0.00 O ATOM 1415 CB ILE A 94 2.452 -1.726 -7.231 1.00 0.00 C ATOM 1416 CG1 ILE A 94 1.836 -1.144 -5.957 1.00 0.00 C ATOM 1417 CG2 ILE A 94 1.852 -3.087 -7.588 1.00 0.00 C ATOM 1418 CD1 ILE A 94 2.105 -2.050 -4.754 1.00 0.00 C ATOM 0 H ILE A 94 3.660 -3.407 -5.791 1.00 0.00 H new ATOM 0 HA ILE A 94 4.353 -1.814 -8.137 1.00 0.00 H new ATOM 0 HB ILE A 94 2.210 -1.044 -8.046 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.249 -0.153 -5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.761 -1.022 -6.092 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.768 -2.998 -7.665 1.00 0.00 H new ATOM 0 HG22 ILE A 94 2.257 -3.424 -8.542 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.103 -3.810 -6.812 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.656 -1.613 -3.862 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.670 -3.033 -4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.180 -2.150 -4.607 1.00 0.00 H new ATOM 1430 N CYS A 95 4.817 0.446 -7.182 1.00 0.00 N ATOM 1431 CA CYS A 95 5.409 1.660 -6.647 1.00 0.00 C ATOM 1432 C CYS A 95 4.330 2.744 -6.603 1.00 0.00 C ATOM 1433 O CYS A 95 3.374 2.703 -7.375 1.00 0.00 O ATOM 1434 CB CYS A 95 6.628 2.100 -7.462 1.00 0.00 C ATOM 1435 SG CYS A 95 6.140 2.414 -9.197 1.00 0.00 S ATOM 0 H CYS A 95 4.588 0.485 -8.175 1.00 0.00 H new ATOM 0 HA CYS A 95 5.775 1.474 -5.637 1.00 0.00 H new ATOM 0 HB2 CYS A 95 7.060 3.002 -7.028 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.398 1.329 -7.426 1.00 0.00 H new ATOM 0 HG CYS A 95 7.181 2.789 -9.879 1.00 0.00 H new ATOM 1441 N LEU A 96 4.519 3.685 -5.690 1.00 0.00 N ATOM 1442 CA LEU A 96 3.574 4.777 -5.536 1.00 0.00 C ATOM 1443 C LEU A 96 3.325 5.428 -6.897 1.00 0.00 C ATOM 1444 O LEU A 96 4.014 5.124 -7.870 1.00 0.00 O ATOM 1445 CB LEU A 96 4.059 5.758 -4.465 1.00 0.00 C ATOM 1446 CG LEU A 96 3.837 5.328 -3.013 1.00 0.00 C ATOM 1447 CD1 LEU A 96 4.216 6.452 -2.046 1.00 0.00 C ATOM 1448 CD2 LEU A 96 2.402 4.846 -2.797 1.00 0.00 C ATOM 0 H LEU A 96 5.312 3.714 -5.050 1.00 0.00 H new ATOM 0 HA LEU A 96 2.614 4.402 -5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.125 5.930 -4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.558 6.713 -4.621 1.00 0.00 H new ATOM 0 HG LEU A 96 4.494 4.485 -2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.049 6.122 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.267 6.707 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.602 7.329 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.271 4.546 -1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.708 5.653 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.202 3.995 -3.448 1.00 0.00 H new ATOM 1460 N THR A 97 2.338 6.311 -6.925 1.00 0.00 N ATOM 1461 CA THR A 97 1.989 7.008 -8.151 1.00 0.00 C ATOM 1462 C THR A 97 1.523 8.432 -7.842 1.00 0.00 C ATOM 1463 O THR A 97 1.389 8.805 -6.678 1.00 0.00 O ATOM 1464 CB THR A 97 0.941 6.171 -8.887 1.00 0.00 C ATOM 1465 OG1 THR A 97 -0.053 5.911 -7.899 1.00 0.00 O ATOM 1466 CG2 THR A 97 1.460 4.783 -9.268 1.00 0.00 C ATOM 0 H THR A 97 1.768 6.560 -6.117 1.00 0.00 H new ATOM 0 HA THR A 97 2.855 7.119 -8.804 1.00 0.00 H new ATOM 0 HB THR A 97 0.623 6.698 -9.786 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.911 6.282 -8.193 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.676 4.232 -9.788 1.00 0.00 H new ATOM 0 HG22 THR A 97 2.326 4.885 -9.922 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.748 4.242 -8.367 1.00 0.00 H new ATOM 1474 N LYS A 98 1.289 9.186 -8.905 1.00 0.00 N ATOM 1475 CA LYS A 98 0.841 10.561 -8.762 1.00 0.00 C ATOM 1476 C LYS A 98 -0.654 10.575 -8.437 1.00 0.00 C ATOM 1477 O LYS A 98 -1.196 11.601 -8.029 1.00 0.00 O ATOM 1478 CB LYS A 98 1.206 11.377 -10.005 1.00 0.00 C ATOM 1479 CG LYS A 98 2.586 12.018 -9.853 1.00 0.00 C ATOM 1480 CD LYS A 98 2.618 13.409 -10.490 1.00 0.00 C ATOM 1481 CE LYS A 98 3.147 14.452 -9.502 1.00 0.00 C ATOM 0 H LYS A 98 1.401 8.872 -9.869 1.00 0.00 H new ATOM 0 HA LYS A 98 1.354 11.043 -7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.195 10.732 -10.884 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.457 12.152 -10.169 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.842 12.092 -8.796 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.339 11.383 -10.320 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.249 13.392 -11.379 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.616 13.687 -10.816 1.00 0.00 H new ATOM 1495 N ALA A 99 -1.279 9.422 -8.628 1.00 0.00 N ATOM 1496 CA ALA A 99 -2.701 9.288 -8.360 1.00 0.00 C ATOM 1497 C ALA A 99 -2.901 8.804 -6.922 1.00 0.00 C ATOM 1498 O ALA A 99 -4.001 8.403 -6.546 1.00 0.00 O ATOM 1499 CB ALA A 99 -3.328 8.343 -9.386 1.00 0.00 C ATOM 0 H ALA A 99 -0.827 8.572 -8.965 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.202 10.251 -8.456 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.395 8.243 -9.184 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.184 8.747 -10.388 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.852 7.365 -9.318 1.00 0.00 H new ATOM 1505 N MET A 100 -1.820 8.856 -6.158 1.00 0.00 N ATOM 1506 CA MET A 100 -1.862 8.427 -4.771 1.00 0.00 C ATOM 1507 C MET A 100 -1.668 9.614 -3.824 1.00 0.00 C ATOM 1508 O MET A 100 -1.563 9.435 -2.612 1.00 0.00 O ATOM 1509 CB MET A 100 -0.764 7.391 -4.522 1.00 0.00 C ATOM 1510 CG MET A 100 -1.096 6.065 -5.211 1.00 0.00 C ATOM 1511 SD MET A 100 -2.414 5.237 -4.336 1.00 0.00 S ATOM 1512 CE MET A 100 -1.748 3.581 -4.269 1.00 0.00 C ATOM 0 H MET A 100 -0.909 9.189 -6.474 1.00 0.00 H new ATOM 0 HA MET A 100 -2.840 7.986 -4.577 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.189 7.769 -4.893 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.648 7.229 -3.450 1.00 0.00 H new ATOM 0 HG2 MET A 100 -1.392 6.246 -6.244 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.211 5.429 -5.240 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.081 3.092 -3.354 1.00 0.00 H new ATOM 0 HE2 MET A 100 -2.097 3.013 -5.132 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.659 3.626 -4.281 1.00 0.00 H new ATOM 1522 N ASP A 101 -1.629 10.800 -4.413 1.00 0.00 N ATOM 1523 CA ASP A 101 -1.449 12.015 -3.638 1.00 0.00 C ATOM 1524 C ASP A 101 -2.582 12.133 -2.615 1.00 0.00 C ATOM 1525 O ASP A 101 -3.683 12.562 -2.950 1.00 0.00 O ATOM 1526 CB ASP A 101 -1.493 13.253 -4.535 1.00 0.00 C ATOM 1527 CG ASP A 101 -1.153 14.571 -3.837 1.00 0.00 C ATOM 1528 OD1 ASP A 101 -1.821 14.973 -2.874 1.00 0.00 O ATOM 1529 OD2 ASP A 101 -0.141 15.204 -4.328 1.00 0.00 O ATOM 0 H ASP A 101 -1.719 10.945 -5.419 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.478 11.961 -3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.799 13.108 -5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.491 13.335 -4.967 1.00 0.00 H new ATOM 1535 N ASN A 102 -2.269 11.745 -1.387 1.00 0.00 N ATOM 1536 CA ASN A 102 -3.245 11.802 -0.313 1.00 0.00 C ATOM 1537 C ASN A 102 -4.149 10.570 -0.385 1.00 0.00 C ATOM 1538 O ASN A 102 -5.338 10.649 -0.078 1.00 0.00 O ATOM 1539 CB ASN A 102 -4.128 13.045 -0.437 1.00 0.00 C ATOM 1540 CG ASN A 102 -4.421 13.649 0.939 1.00 0.00 C ATOM 1541 OD1 ASN A 102 -4.425 12.973 1.954 1.00 0.00 O ATOM 1542 ND2 ASN A 102 -4.663 14.957 0.914 1.00 0.00 N ATOM 0 H ASN A 102 -1.353 11.390 -1.113 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.704 11.837 0.633 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -3.633 13.786 -1.065 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -5.064 12.783 -0.930 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.868 15.454 1.781 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.644 15.462 0.028 1.00 0.00 H new ATOM 1549 N MET A 103 -3.551 9.460 -0.793 1.00 0.00 N ATOM 1550 CA MET A 103 -4.288 8.213 -0.911 1.00 0.00 C ATOM 1551 C MET A 103 -4.514 7.579 0.463 1.00 0.00 C ATOM 1552 O MET A 103 -3.706 7.756 1.373 1.00 0.00 O ATOM 1553 CB MET A 103 -3.510 7.241 -1.800 1.00 0.00 C ATOM 1554 CG MET A 103 -2.240 6.754 -1.100 1.00 0.00 C ATOM 1555 SD MET A 103 -2.139 4.974 -1.188 1.00 0.00 S ATOM 1556 CE MET A 103 -0.395 4.780 -1.516 1.00 0.00 C ATOM 0 H MET A 103 -2.565 9.398 -1.046 1.00 0.00 H new ATOM 0 HA MET A 103 -5.259 8.428 -1.357 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.141 6.388 -2.051 1.00 0.00 H new ATOM 0 HB3 MET A 103 -3.248 7.731 -2.738 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.363 7.200 -1.569 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.243 7.075 -0.058 1.00 0.00 H new ATOM 0 HE1 MET A 103 -0.105 3.744 -1.339 1.00 0.00 H new ATOM 0 HE2 MET A 103 -0.188 5.043 -2.554 1.00 0.00 H new ATOM 0 HE3 MET A 103 0.174 5.434 -0.856 1.00 0.00 H new ATOM 1566 N THR A 104 -5.618 6.852 0.570 1.00 0.00 N ATOM 1567 CA THR A 104 -5.960 6.191 1.818 1.00 0.00 C ATOM 1568 C THR A 104 -6.006 4.674 1.622 1.00 0.00 C ATOM 1569 O THR A 104 -6.608 4.187 0.665 1.00 0.00 O ATOM 1570 CB THR A 104 -7.280 6.779 2.318 1.00 0.00 C ATOM 1571 OG1 THR A 104 -6.956 8.128 2.648 1.00 0.00 O ATOM 1572 CG2 THR A 104 -7.728 6.168 3.647 1.00 0.00 C ATOM 0 H THR A 104 -6.286 6.707 -0.187 1.00 0.00 H new ATOM 0 HA THR A 104 -5.200 6.366 2.580 1.00 0.00 H new ATOM 0 HB THR A 104 -8.054 6.622 1.567 1.00 0.00 H new ATOM 0 HG1 THR A 104 -7.757 8.585 2.980 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.670 6.621 3.956 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.864 5.093 3.526 1.00 0.00 H new ATOM 0 HG23 THR A 104 -6.969 6.354 4.407 1.00 0.00 H new ATOM 1580 N VAL A 105 -5.365 3.970 2.542 1.00 0.00 N ATOM 1581 CA VAL A 105 -5.326 2.519 2.483 1.00 0.00 C ATOM 1582 C VAL A 105 -5.612 1.948 3.873 1.00 0.00 C ATOM 1583 O VAL A 105 -5.312 2.582 4.883 1.00 0.00 O ATOM 1584 CB VAL A 105 -3.985 2.055 1.910 1.00 0.00 C ATOM 1585 CG1 VAL A 105 -3.584 2.897 0.699 1.00 0.00 C ATOM 1586 CG2 VAL A 105 -2.893 2.081 2.983 1.00 0.00 C ATOM 0 H VAL A 105 -4.868 4.378 3.334 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.099 2.143 1.812 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.102 1.024 1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.628 2.546 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.345 2.805 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.493 3.942 0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.950 1.747 2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.779 3.097 3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.172 1.418 3.802 1.00 0.00 H new ATOM 1596 N ARG A 106 -6.191 0.756 3.880 1.00 0.00 N ATOM 1597 CA ARG A 106 -6.522 0.092 5.129 1.00 0.00 C ATOM 1598 C ARG A 106 -5.658 -1.157 5.313 1.00 0.00 C ATOM 1599 O ARG A 106 -5.238 -1.774 4.335 1.00 0.00 O ATOM 1600 CB ARG A 106 -7.999 -0.308 5.167 1.00 0.00 C ATOM 1601 CG ARG A 106 -8.406 -0.768 6.568 1.00 0.00 C ATOM 1602 CD ARG A 106 -9.866 -1.227 6.591 1.00 0.00 C ATOM 1603 NE ARG A 106 -10.607 -0.506 7.650 1.00 0.00 N ATOM 1604 CZ ARG A 106 -11.953 -0.411 7.702 1.00 0.00 C ATOM 1605 NH1 ARG A 106 -12.718 -0.994 6.754 1.00 0.00 N ATOM 1606 NH2 ARG A 106 -12.510 0.258 8.694 1.00 0.00 N ATOM 0 H ARG A 106 -6.439 0.233 3.040 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.327 0.795 5.939 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.616 0.538 4.864 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.181 -1.109 4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -7.759 -1.584 6.889 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.266 0.047 7.278 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.329 -1.042 5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.915 -2.301 6.768 1.00 0.00 H new ATOM 0 HE ARG A 106 -10.067 -0.052 8.387 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.280 -1.511 5.992 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.734 -0.918 6.800 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -11.925 0.694 9.407 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -13.525 0.339 8.748 1.00 0.00 H new ATOM 1619 N VAL A 107 -5.417 -1.492 6.571 1.00 0.00 N ATOM 1620 CA VAL A 107 -4.611 -2.657 6.895 1.00 0.00 C ATOM 1621 C VAL A 107 -5.521 -3.777 7.401 1.00 0.00 C ATOM 1622 O VAL A 107 -6.013 -3.722 8.527 1.00 0.00 O ATOM 1623 CB VAL A 107 -3.518 -2.276 7.895 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -2.597 -3.463 8.181 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -2.720 -1.067 7.402 1.00 0.00 C ATOM 0 H VAL A 107 -5.766 -0.977 7.379 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.103 -3.029 6.005 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.003 -1.997 8.830 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.829 -3.164 8.895 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.180 -4.284 8.598 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.124 -3.788 7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.950 -0.817 8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.252 -1.305 6.447 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.389 -0.216 7.276 1.00 0.00 H new ATOM 1635 N PRO A 108 -5.722 -4.796 6.522 1.00 0.00 N ATOM 1636 CA PRO A 108 -6.565 -5.928 6.868 1.00 0.00 C ATOM 1637 C PRO A 108 -5.849 -6.865 7.843 1.00 0.00 C ATOM 1638 O PRO A 108 -5.699 -8.055 7.568 1.00 0.00 O ATOM 1639 CB PRO A 108 -6.897 -6.592 5.541 1.00 0.00 C ATOM 1640 CG PRO A 108 -5.858 -6.089 4.552 1.00 0.00 C ATOM 1641 CD PRO A 108 -5.156 -4.896 5.180 1.00 0.00 C ATOM 0 HA PRO A 108 -7.476 -5.631 7.388 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -6.860 -7.678 5.628 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -7.904 -6.332 5.215 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.140 -6.875 4.320 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.332 -5.802 3.613 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.077 -5.045 5.216 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.333 -3.986 4.607 1.00 0.00 H new