USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 627 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 22 THR OG1 : rot 180:sc= 0.28 USER MOD Set 1.2: A 25 ASN : amide:sc= -1.31! X(o=-1!,f=-1) USER MOD Set 2.1: A 7 THR OG1 : rot 129:sc= 1.35 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.77 USER MOD Single : A 1 MET CE :methyl 171:sc= 0 (180deg=-0.0578) USER MOD Single : A 1 MET N :NH3+ 172:sc= 0.998 (180deg=0.938) USER MOD Single : A 2 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.23) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 31:sc= 0.335 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0977 USER MOD Single : A 27 LYS NZ :NH3+ -129:sc= 1.36 (180deg=-1.42) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 1.22 (180deg=0.895) USER MOD Single : A 31 GLN : amide:sc= -0.792 K(o=-0.79,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ 145:sc= 1.28 (180deg=0.816) USER MOD Single : A 40 GLN : amide:sc= 0.209 K(o=0.21,f=-0.76) USER MOD Single : A 41 GLN : amide:sc= -0.878 K(o=-0.88,f=-4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0072 X(o=-0.0072,f=-0.037) USER MOD Single : A 55 THR OG1 : rot -47:sc= 1.14 USER MOD Single : A 57 SER OG : rot 69:sc= 0.0417 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.0269 USER MOD Single : A 60 ASN : amide:sc= -0.0107 X(o=-0.011,f=-0.011) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 62:sc= 1.17 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.506 X(o=-0.51,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.919 44.287 -12.585 1.00 0.00 N ATOM 2 CA MET A 1 -4.534 44.963 -11.445 1.00 0.00 C ATOM 3 C MET A 1 -3.461 45.412 -10.454 1.00 0.00 C ATOM 4 O MET A 1 -2.344 44.901 -10.441 1.00 0.00 O ATOM 5 CB MET A 1 -5.546 43.969 -10.691 1.00 0.00 C ATOM 6 CG MET A 1 -4.891 42.718 -9.949 1.00 0.00 C ATOM 7 SD MET A 1 -6.167 41.576 -9.290 1.00 0.00 S ATOM 8 CE MET A 1 -5.334 41.040 -7.748 1.00 0.00 C ATOM 0 H1 MET A 1 -4.661 43.869 -13.182 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.372 44.974 -13.142 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.286 43.536 -12.243 1.00 0.00 H new ATOM 0 HA MET A 1 -5.078 45.831 -11.817 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.108 44.546 -9.956 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.265 43.596 -11.420 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.245 42.180 -10.643 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.260 43.069 -9.133 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.031 40.465 -7.138 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.473 40.420 -7.996 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.001 41.916 -7.191 1.00 0.00 H new ATOM 18 N GLN A 2 -3.861 46.344 -9.529 1.00 0.00 N ATOM 19 CA GLN A 2 -2.973 46.855 -8.452 1.00 0.00 C ATOM 20 C GLN A 2 -3.151 46.019 -7.172 1.00 0.00 C ATOM 21 O GLN A 2 -4.266 45.762 -6.712 1.00 0.00 O ATOM 22 CB GLN A 2 -3.210 48.354 -8.017 1.00 0.00 C ATOM 23 CG GLN A 2 -2.917 49.384 -9.161 1.00 0.00 C ATOM 24 CD GLN A 2 -1.503 49.200 -9.575 1.00 0.00 C ATOM 25 OE1 GLN A 2 -0.653 49.944 -9.056 1.00 0.00 O ATOM 26 NE2 GLN A 2 -1.205 48.463 -10.653 1.00 0.00 N ATOM 0 H GLN A 2 -4.796 46.751 -9.516 1.00 0.00 H new ATOM 0 HA GLN A 2 -1.979 46.783 -8.893 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.243 48.471 -7.688 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.575 48.582 -7.161 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.588 49.221 -10.005 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.085 50.403 -8.812 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.913 47.857 -11.068 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.270 48.508 -11.059 1.00 0.00 H new ATOM 35 N ILE A 3 -2.022 45.730 -6.445 1.00 0.00 N ATOM 36 CA ILE A 3 -2.038 45.342 -5.044 1.00 0.00 C ATOM 37 C ILE A 3 -0.927 46.096 -4.299 1.00 0.00 C ATOM 38 O ILE A 3 -0.047 46.723 -4.889 1.00 0.00 O ATOM 39 CB ILE A 3 -1.885 43.823 -4.759 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.557 43.272 -5.396 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.140 43.087 -5.297 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.271 41.808 -5.021 1.00 0.00 C ATOM 0 H ILE A 3 -1.084 45.768 -6.843 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.035 45.605 -4.691 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.813 43.647 -3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.618 43.358 -6.481 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.279 43.893 -5.074 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.046 42.018 -5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.029 43.470 -4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.228 43.255 -6.370 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.658 41.487 -5.491 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.179 41.721 -3.938 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.090 41.177 -5.367 1.00 0.00 H new ATOM 54 N PHE A 4 -0.979 46.008 -2.958 1.00 0.00 N ATOM 55 CA PHE A 4 0.025 46.598 -2.100 1.00 0.00 C ATOM 56 C PHE A 4 0.762 45.429 -1.413 1.00 0.00 C ATOM 57 O PHE A 4 0.123 44.463 -1.050 1.00 0.00 O ATOM 58 CB PHE A 4 -0.708 47.563 -1.116 1.00 0.00 C ATOM 59 CG PHE A 4 -1.657 48.566 -1.780 1.00 0.00 C ATOM 60 CD1 PHE A 4 -1.122 49.674 -2.463 1.00 0.00 C ATOM 61 CD2 PHE A 4 -3.017 48.410 -1.778 1.00 0.00 C ATOM 62 CE1 PHE A 4 -1.935 50.551 -3.164 1.00 0.00 C ATOM 63 CE2 PHE A 4 -3.881 49.353 -2.463 1.00 0.00 C ATOM 64 CZ PHE A 4 -3.302 50.429 -3.197 1.00 0.00 C ATOM 0 H PHE A 4 -1.722 45.524 -2.454 1.00 0.00 H new ATOM 0 HA PHE A 4 0.772 47.194 -2.625 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.276 46.967 -0.401 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.040 48.115 -0.547 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.056 49.845 -2.441 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.454 47.571 -1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.474 51.363 -3.706 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.954 49.241 -2.417 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.914 51.121 -3.757 1.00 0.00 H new ATOM 74 N VAL A 5 2.071 45.587 -1.208 1.00 0.00 N ATOM 75 CA VAL A 5 2.889 44.633 -0.439 1.00 0.00 C ATOM 76 C VAL A 5 3.548 45.408 0.711 1.00 0.00 C ATOM 77 O VAL A 5 4.298 46.359 0.516 1.00 0.00 O ATOM 78 CB VAL A 5 3.956 44.064 -1.409 1.00 0.00 C ATOM 79 CG1 VAL A 5 5.069 43.253 -0.720 1.00 0.00 C ATOM 80 CG2 VAL A 5 3.215 43.259 -2.516 1.00 0.00 C ATOM 0 H VAL A 5 2.600 46.381 -1.570 1.00 0.00 H new ATOM 0 HA VAL A 5 2.302 43.814 -0.023 1.00 0.00 H new ATOM 0 HB VAL A 5 4.500 44.897 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.773 42.892 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.593 43.888 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.630 42.404 -0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.943 42.846 -3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.650 42.447 -2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.533 43.919 -3.051 1.00 0.00 H new ATOM 90 N LYS A 6 3.128 45.107 1.923 1.00 0.00 N ATOM 91 CA LYS A 6 3.610 45.860 3.133 1.00 0.00 C ATOM 92 C LYS A 6 4.589 45.022 3.888 1.00 0.00 C ATOM 93 O LYS A 6 4.211 44.012 4.506 1.00 0.00 O ATOM 94 CB LYS A 6 2.416 46.279 3.972 1.00 0.00 C ATOM 95 CG LYS A 6 2.726 47.240 5.184 1.00 0.00 C ATOM 96 CD LYS A 6 1.335 47.560 5.809 1.00 0.00 C ATOM 97 CE LYS A 6 1.450 48.587 6.923 1.00 0.00 C ATOM 98 NZ LYS A 6 0.106 48.749 7.580 1.00 0.00 N ATOM 0 H LYS A 6 2.463 44.361 2.127 1.00 0.00 H new ATOM 0 HA LYS A 6 4.133 46.770 2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.693 46.770 3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.936 45.380 4.360 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.384 46.761 5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.227 48.148 4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.664 47.934 5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.891 46.645 6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.191 48.267 7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.790 49.541 6.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.176 49.451 8.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.588 49.072 6.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.200 47.837 7.975 1.00 0.00 H new ATOM 112 N THR A 7 5.883 45.471 3.893 1.00 0.00 N ATOM 113 CA THR A 7 6.909 44.763 4.634 1.00 0.00 C ATOM 114 C THR A 7 6.681 44.828 6.160 1.00 0.00 C ATOM 115 O THR A 7 6.166 45.803 6.714 1.00 0.00 O ATOM 116 CB THR A 7 8.368 45.231 4.439 1.00 0.00 C ATOM 117 OG1 THR A 7 8.547 46.613 4.760 1.00 0.00 O ATOM 118 CG2 THR A 7 8.899 44.932 3.019 1.00 0.00 C ATOM 0 H THR A 7 6.208 46.301 3.397 1.00 0.00 H new ATOM 0 HA THR A 7 6.802 43.763 4.213 1.00 0.00 H new ATOM 0 HB THR A 7 8.959 44.647 5.145 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.301 46.710 5.378 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.928 45.281 2.935 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.863 43.858 2.836 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.280 45.446 2.283 1.00 0.00 H new ATOM 126 N LEU A 8 7.078 43.775 6.848 1.00 0.00 N ATOM 127 CA LEU A 8 7.054 43.717 8.351 1.00 0.00 C ATOM 128 C LEU A 8 8.002 44.793 8.996 1.00 0.00 C ATOM 129 O LEU A 8 7.872 45.164 10.188 1.00 0.00 O ATOM 130 CB LEU A 8 7.312 42.211 8.770 1.00 0.00 C ATOM 131 CG LEU A 8 6.745 41.932 10.187 1.00 0.00 C ATOM 132 CD1 LEU A 8 5.180 42.181 10.229 1.00 0.00 C ATOM 133 CD2 LEU A 8 7.009 40.441 10.652 1.00 0.00 C ATOM 0 H LEU A 8 7.430 42.923 6.411 1.00 0.00 H new ATOM 0 HA LEU A 8 6.082 44.000 8.755 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.845 41.542 8.047 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.382 42.002 8.753 1.00 0.00 H new ATOM 0 HG LEU A 8 7.261 42.617 10.860 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.806 41.979 11.233 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.969 43.217 9.965 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.687 41.518 9.518 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.595 40.292 11.649 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.532 39.752 9.954 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.082 40.251 10.673 1.00 0.00 H new ATOM 145 N THR A 9 8.865 45.434 8.178 1.00 0.00 N ATOM 146 CA THR A 9 9.642 46.610 8.625 1.00 0.00 C ATOM 147 C THR A 9 8.914 47.953 8.461 1.00 0.00 C ATOM 148 O THR A 9 9.326 48.987 9.024 1.00 0.00 O ATOM 149 CB THR A 9 10.995 46.634 7.904 1.00 0.00 C ATOM 150 OG1 THR A 9 10.760 46.835 6.559 1.00 0.00 O ATOM 151 CG2 THR A 9 11.766 45.284 8.120 1.00 0.00 C ATOM 0 H THR A 9 9.040 45.159 7.211 1.00 0.00 H new ATOM 0 HA THR A 9 9.785 46.495 9.699 1.00 0.00 H new ATOM 0 HB THR A 9 11.612 47.437 8.307 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.613 46.855 6.077 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.723 45.324 7.599 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.939 45.130 9.185 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.173 44.459 7.726 1.00 0.00 H new ATOM 159 N GLY A 10 7.764 47.909 7.771 1.00 0.00 N ATOM 160 CA GLY A 10 6.876 49.055 7.651 1.00 0.00 C ATOM 161 C GLY A 10 6.955 49.910 6.398 1.00 0.00 C ATOM 162 O GLY A 10 6.776 51.152 6.461 1.00 0.00 O ATOM 0 H GLY A 10 7.432 47.076 7.285 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.852 48.691 7.739 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.058 49.705 8.507 1.00 0.00 H new ATOM 166 N LYS A 11 7.281 49.274 5.231 1.00 0.00 N ATOM 167 CA LYS A 11 7.320 49.973 3.984 1.00 0.00 C ATOM 168 C LYS A 11 6.252 49.395 2.970 1.00 0.00 C ATOM 169 O LYS A 11 6.210 48.186 2.660 1.00 0.00 O ATOM 170 CB LYS A 11 8.691 50.061 3.281 1.00 0.00 C ATOM 171 CG LYS A 11 9.888 50.596 4.173 1.00 0.00 C ATOM 172 CD LYS A 11 11.066 50.941 3.249 1.00 0.00 C ATOM 173 CE LYS A 11 10.812 52.353 2.571 1.00 0.00 C ATOM 174 NZ LYS A 11 11.988 52.759 1.725 1.00 0.00 N ATOM 0 H LYS A 11 7.513 48.283 5.167 1.00 0.00 H new ATOM 0 HA LYS A 11 7.081 50.997 4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.953 49.070 2.910 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.592 50.710 2.411 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.577 51.476 4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.185 49.841 4.901 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.995 50.961 3.819 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.178 50.173 2.484 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.913 52.310 1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.635 53.104 3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.800 53.685 1.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.839 52.821 2.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.139 52.051 0.978 1.00 0.00 H new ATOM 188 N THR A 12 5.356 50.261 2.476 1.00 0.00 N ATOM 189 CA THR A 12 4.249 49.784 1.681 1.00 0.00 C ATOM 190 C THR A 12 4.654 49.970 0.243 1.00 0.00 C ATOM 191 O THR A 12 4.679 51.097 -0.253 1.00 0.00 O ATOM 192 CB THR A 12 2.984 50.610 2.031 1.00 0.00 C ATOM 193 OG1 THR A 12 2.547 50.309 3.369 1.00 0.00 O ATOM 194 CG2 THR A 12 1.842 50.287 1.021 1.00 0.00 C ATOM 0 H THR A 12 5.385 51.271 2.616 1.00 0.00 H new ATOM 0 HA THR A 12 4.015 48.736 1.871 1.00 0.00 H new ATOM 0 HB THR A 12 3.231 51.670 1.969 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.749 50.838 3.579 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.957 50.871 1.274 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.167 50.539 0.012 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.602 49.225 1.071 1.00 0.00 H new ATOM 202 N ILE A 13 4.958 48.803 -0.400 1.00 0.00 N ATOM 203 CA ILE A 13 5.474 48.694 -1.775 1.00 0.00 C ATOM 204 C ILE A 13 4.303 48.514 -2.779 1.00 0.00 C ATOM 205 O ILE A 13 3.470 47.624 -2.612 1.00 0.00 O ATOM 206 CB ILE A 13 6.462 47.499 -1.890 1.00 0.00 C ATOM 207 CG1 ILE A 13 7.628 47.554 -0.907 1.00 0.00 C ATOM 208 CG2 ILE A 13 6.945 47.352 -3.383 1.00 0.00 C ATOM 209 CD1 ILE A 13 8.609 48.708 -1.189 1.00 0.00 C ATOM 0 H ILE A 13 4.843 47.894 0.048 1.00 0.00 H new ATOM 0 HA ILE A 13 6.006 49.614 -2.017 1.00 0.00 H new ATOM 0 HB ILE A 13 5.914 46.602 -1.601 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.236 47.658 0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.170 46.609 -0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.637 46.514 -3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.085 47.173 -4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.448 48.268 -3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.414 48.689 -0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.028 48.593 -2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.080 49.659 -1.124 1.00 0.00 H new ATOM 221 N THR A 14 4.341 49.396 -3.800 1.00 0.00 N ATOM 222 CA THR A 14 3.404 49.353 -4.933 1.00 0.00 C ATOM 223 C THR A 14 3.732 48.241 -5.933 1.00 0.00 C ATOM 224 O THR A 14 4.818 48.257 -6.562 1.00 0.00 O ATOM 225 CB THR A 14 3.337 50.756 -5.622 1.00 0.00 C ATOM 226 OG1 THR A 14 4.607 51.089 -6.106 1.00 0.00 O ATOM 227 CG2 THR A 14 2.897 51.939 -4.663 1.00 0.00 C ATOM 0 H THR A 14 5.021 50.154 -3.858 1.00 0.00 H new ATOM 0 HA THR A 14 2.418 49.109 -4.539 1.00 0.00 H new ATOM 0 HB THR A 14 2.584 50.658 -6.404 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.086 50.272 -6.357 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.878 52.874 -5.223 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.903 51.734 -4.265 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.607 52.024 -3.840 1.00 0.00 H new ATOM 235 N LEU A 15 2.791 47.238 -6.199 1.00 0.00 N ATOM 236 CA LEU A 15 3.048 46.264 -7.229 1.00 0.00 C ATOM 237 C LEU A 15 1.853 46.140 -8.201 1.00 0.00 C ATOM 238 O LEU A 15 0.713 46.353 -7.804 1.00 0.00 O ATOM 239 CB LEU A 15 3.314 44.906 -6.534 1.00 0.00 C ATOM 240 CG LEU A 15 3.973 43.831 -7.466 1.00 0.00 C ATOM 241 CD1 LEU A 15 5.364 44.194 -8.007 1.00 0.00 C ATOM 242 CD2 LEU A 15 4.112 42.462 -6.663 1.00 0.00 C ATOM 0 H LEU A 15 1.903 47.129 -5.710 1.00 0.00 H new ATOM 0 HA LEU A 15 3.910 46.575 -7.820 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.961 45.071 -5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.371 44.513 -6.154 1.00 0.00 H new ATOM 0 HG LEU A 15 3.311 43.759 -8.329 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.731 43.386 -8.640 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.299 45.111 -8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.051 44.343 -7.174 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.570 41.709 -7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.737 42.618 -5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.125 42.121 -6.351 1.00 0.00 H new ATOM 254 N GLU A 16 2.139 45.769 -9.494 1.00 0.00 N ATOM 255 CA GLU A 16 1.110 45.449 -10.501 1.00 0.00 C ATOM 256 C GLU A 16 1.257 43.946 -10.855 1.00 0.00 C ATOM 257 O GLU A 16 2.355 43.437 -11.162 1.00 0.00 O ATOM 258 CB GLU A 16 1.249 46.258 -11.834 1.00 0.00 C ATOM 259 CG GLU A 16 0.044 45.927 -12.842 1.00 0.00 C ATOM 260 CD GLU A 16 0.273 46.580 -14.205 1.00 0.00 C ATOM 261 OE1 GLU A 16 0.356 47.796 -14.225 1.00 0.00 O ATOM 262 OE2 GLU A 16 0.358 45.862 -15.211 1.00 0.00 O ATOM 0 H GLU A 16 3.092 45.689 -9.849 1.00 0.00 H new ATOM 0 HA GLU A 16 0.144 45.707 -10.066 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.261 47.326 -11.615 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.200 46.020 -12.310 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.047 44.848 -12.963 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.896 46.281 -12.419 1.00 0.00 H new ATOM 269 N VAL A 17 0.112 43.214 -10.665 1.00 0.00 N ATOM 270 CA VAL A 17 0.018 41.764 -10.718 1.00 0.00 C ATOM 271 C VAL A 17 -1.253 41.355 -11.501 1.00 0.00 C ATOM 272 O VAL A 17 -2.095 42.207 -11.761 1.00 0.00 O ATOM 273 CB VAL A 17 -0.169 41.122 -9.319 1.00 0.00 C ATOM 274 CG1 VAL A 17 1.012 41.436 -8.403 1.00 0.00 C ATOM 275 CG2 VAL A 17 -1.483 41.626 -8.597 1.00 0.00 C ATOM 0 H VAL A 17 -0.785 43.657 -10.466 1.00 0.00 H new ATOM 0 HA VAL A 17 0.947 41.426 -11.177 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.241 40.049 -9.495 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.851 40.972 -7.430 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.929 41.045 -8.844 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.100 42.515 -8.280 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.568 41.147 -7.621 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.435 42.707 -8.468 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.352 41.371 -9.204 1.00 0.00 H new ATOM 285 N GLU A 18 -1.333 40.081 -11.902 1.00 0.00 N ATOM 286 CA GLU A 18 -2.504 39.547 -12.582 1.00 0.00 C ATOM 287 C GLU A 18 -3.245 38.672 -11.528 1.00 0.00 C ATOM 288 O GLU A 18 -2.628 38.269 -10.539 1.00 0.00 O ATOM 289 CB GLU A 18 -2.083 38.684 -13.812 1.00 0.00 C ATOM 290 CG GLU A 18 -1.596 39.616 -15.027 1.00 0.00 C ATOM 291 CD GLU A 18 -1.487 38.849 -16.407 1.00 0.00 C ATOM 292 OE1 GLU A 18 -1.843 39.406 -17.489 1.00 0.00 O ATOM 293 OE2 GLU A 18 -0.933 37.772 -16.386 1.00 0.00 O ATOM 0 H GLU A 18 -0.588 39.399 -11.762 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.142 40.345 -12.961 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.281 38.004 -13.526 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.923 38.069 -14.134 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.291 40.448 -15.137 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.624 40.043 -14.780 1.00 0.00 H new ATOM 300 N PRO A 19 -4.486 38.326 -11.737 1.00 0.00 N ATOM 301 CA PRO A 19 -5.201 37.373 -10.816 1.00 0.00 C ATOM 302 C PRO A 19 -4.763 35.941 -10.984 1.00 0.00 C ATOM 303 O PRO A 19 -4.871 35.213 -10.020 1.00 0.00 O ATOM 304 CB PRO A 19 -6.698 37.563 -11.104 1.00 0.00 C ATOM 305 CG PRO A 19 -6.663 37.982 -12.551 1.00 0.00 C ATOM 306 CD PRO A 19 -5.471 38.918 -12.690 1.00 0.00 C ATOM 0 HA PRO A 19 -4.962 37.594 -9.776 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.266 36.645 -10.954 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.147 38.324 -10.465 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.557 37.116 -13.205 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.588 38.484 -12.834 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.087 38.939 -13.710 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.727 39.944 -12.425 1.00 0.00 H new ATOM 314 N SER A 20 -4.221 35.587 -12.173 1.00 0.00 N ATOM 315 CA SER A 20 -3.584 34.289 -12.461 1.00 0.00 C ATOM 316 C SER A 20 -2.148 34.137 -11.997 1.00 0.00 C ATOM 317 O SER A 20 -1.600 33.034 -12.200 1.00 0.00 O ATOM 318 CB SER A 20 -3.585 34.142 -14.007 1.00 0.00 C ATOM 319 OG SER A 20 -3.190 35.420 -14.602 1.00 0.00 O ATOM 0 H SER A 20 -4.217 36.215 -12.976 1.00 0.00 H new ATOM 0 HA SER A 20 -4.150 33.534 -11.916 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.896 33.355 -14.312 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.575 33.852 -14.358 1.00 0.00 H new ATOM 0 HG SER A 20 -3.185 35.339 -15.579 1.00 0.00 H new ATOM 325 N ASP A 21 -1.520 35.185 -11.359 1.00 0.00 N ATOM 326 CA ASP A 21 -0.226 35.062 -10.739 1.00 0.00 C ATOM 327 C ASP A 21 -0.279 34.132 -9.522 1.00 0.00 C ATOM 328 O ASP A 21 -1.317 34.069 -8.814 1.00 0.00 O ATOM 329 CB ASP A 21 0.361 36.474 -10.340 1.00 0.00 C ATOM 330 CG ASP A 21 0.777 37.323 -11.604 1.00 0.00 C ATOM 331 OD1 ASP A 21 0.942 36.705 -12.652 1.00 0.00 O ATOM 332 OD2 ASP A 21 0.880 38.569 -11.557 1.00 0.00 O ATOM 0 H ASP A 21 -1.926 36.117 -11.282 1.00 0.00 H new ATOM 0 HA ASP A 21 0.445 34.618 -11.475 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.381 37.025 -9.762 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.229 36.336 -9.695 1.00 0.00 H new ATOM 337 N THR A 22 0.881 33.421 -9.349 1.00 0.00 N ATOM 338 CA THR A 22 1.152 32.595 -8.201 1.00 0.00 C ATOM 339 C THR A 22 1.955 33.379 -7.221 1.00 0.00 C ATOM 340 O THR A 22 2.494 34.416 -7.537 1.00 0.00 O ATOM 341 CB THR A 22 1.973 31.301 -8.549 1.00 0.00 C ATOM 342 OG1 THR A 22 3.191 31.633 -9.225 1.00 0.00 O ATOM 343 CG2 THR A 22 1.161 30.333 -9.447 1.00 0.00 C ATOM 0 H THR A 22 1.640 33.429 -10.030 1.00 0.00 H new ATOM 0 HA THR A 22 0.185 32.289 -7.801 1.00 0.00 H new ATOM 0 HB THR A 22 2.196 30.809 -7.602 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.686 30.812 -9.430 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.761 29.450 -9.666 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.251 30.033 -8.928 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.899 30.834 -10.379 1.00 0.00 H new ATOM 351 N ILE A 23 1.959 32.870 -6.012 1.00 0.00 N ATOM 352 CA ILE A 23 2.750 33.524 -4.931 1.00 0.00 C ATOM 353 C ILE A 23 4.245 33.593 -5.196 1.00 0.00 C ATOM 354 O ILE A 23 4.871 34.649 -4.993 1.00 0.00 O ATOM 355 CB ILE A 23 2.461 32.854 -3.584 1.00 0.00 C ATOM 356 CG1 ILE A 23 0.897 32.758 -3.353 1.00 0.00 C ATOM 357 CG2 ILE A 23 3.106 33.660 -2.429 1.00 0.00 C ATOM 358 CD1 ILE A 23 -0.001 34.120 -3.605 1.00 0.00 C ATOM 0 H ILE A 23 1.449 32.032 -5.731 1.00 0.00 H new ATOM 0 HA ILE A 23 2.420 34.562 -4.906 1.00 0.00 H new ATOM 0 HB ILE A 23 2.888 31.851 -3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.509 31.975 -4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.729 32.431 -2.327 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.891 33.170 -1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.185 33.708 -2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.697 34.670 -2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.051 33.905 -3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.339 34.909 -2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.116 34.447 -4.638 1.00 0.00 H new ATOM 370 N GLU A 24 4.787 32.537 -5.790 1.00 0.00 N ATOM 371 CA GLU A 24 6.088 32.573 -6.481 1.00 0.00 C ATOM 372 C GLU A 24 6.237 33.565 -7.645 1.00 0.00 C ATOM 373 O GLU A 24 7.333 34.208 -7.709 1.00 0.00 O ATOM 374 CB GLU A 24 6.419 31.102 -6.913 1.00 0.00 C ATOM 375 CG GLU A 24 7.563 30.999 -8.006 1.00 0.00 C ATOM 376 CD GLU A 24 8.004 29.515 -8.169 1.00 0.00 C ATOM 377 OE1 GLU A 24 8.954 29.124 -7.486 1.00 0.00 O ATOM 378 OE2 GLU A 24 7.492 28.807 -9.048 1.00 0.00 O ATOM 0 H GLU A 24 4.340 31.621 -5.811 1.00 0.00 H new ATOM 0 HA GLU A 24 6.812 32.972 -5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.718 30.533 -6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.514 30.635 -7.302 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.204 31.388 -8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.416 31.611 -7.712 1.00 0.00 H new ATOM 385 N ASN A 25 5.183 33.814 -8.501 1.00 0.00 N ATOM 386 CA ASN A 25 5.266 34.939 -9.436 1.00 0.00 C ATOM 387 C ASN A 25 5.418 36.241 -8.746 1.00 0.00 C ATOM 388 O ASN A 25 6.282 37.080 -9.127 1.00 0.00 O ATOM 389 CB ASN A 25 4.091 34.978 -10.458 1.00 0.00 C ATOM 390 CG ASN A 25 4.155 33.789 -11.429 1.00 0.00 C ATOM 391 OD1 ASN A 25 3.082 33.395 -11.864 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.380 33.295 -11.761 1.00 0.00 N ATOM 0 H ASN A 25 4.322 33.269 -8.545 1.00 0.00 H new ATOM 0 HA ASN A 25 6.175 34.764 -10.011 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.141 34.963 -9.924 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.126 35.911 -11.020 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.457 32.528 -12.428 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.221 33.693 -11.342 1.00 0.00 H new ATOM 399 N VAL A 26 4.649 36.420 -7.685 1.00 0.00 N ATOM 400 CA VAL A 26 4.737 37.674 -6.967 1.00 0.00 C ATOM 401 C VAL A 26 6.135 37.957 -6.377 1.00 0.00 C ATOM 402 O VAL A 26 6.688 39.073 -6.420 1.00 0.00 O ATOM 403 CB VAL A 26 3.548 37.724 -5.910 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.567 39.013 -5.044 1.00 0.00 C ATOM 405 CG2 VAL A 26 2.225 37.632 -6.724 1.00 0.00 C ATOM 0 H VAL A 26 3.983 35.742 -7.315 1.00 0.00 H new ATOM 0 HA VAL A 26 4.613 38.501 -7.666 1.00 0.00 H new ATOM 0 HB VAL A 26 3.650 36.898 -5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.734 38.992 -4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.505 39.067 -4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.475 39.886 -5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.375 37.662 -6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.165 38.472 -7.416 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.207 36.697 -7.285 1.00 0.00 H new ATOM 415 N LYS A 27 6.816 36.917 -5.842 1.00 0.00 N ATOM 416 CA LYS A 27 8.167 37.031 -5.303 1.00 0.00 C ATOM 417 C LYS A 27 9.189 37.482 -6.370 1.00 0.00 C ATOM 418 O LYS A 27 9.996 38.397 -6.131 1.00 0.00 O ATOM 419 CB LYS A 27 8.672 35.662 -4.703 1.00 0.00 C ATOM 420 CG LYS A 27 7.930 35.349 -3.377 1.00 0.00 C ATOM 421 CD LYS A 27 8.322 33.881 -2.939 1.00 0.00 C ATOM 422 CE LYS A 27 7.489 33.364 -1.727 1.00 0.00 C ATOM 423 NZ LYS A 27 8.062 32.032 -1.117 1.00 0.00 N ATOM 0 H LYS A 27 6.430 35.975 -5.778 1.00 0.00 H new ATOM 0 HA LYS A 27 8.103 37.785 -4.519 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.504 34.859 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.746 35.710 -4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.209 36.066 -2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.852 35.432 -3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.182 33.206 -3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.381 33.855 -2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.466 34.132 -0.954 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.459 33.200 -2.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.299 31.330 -1.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.810 31.660 -1.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.457 32.224 -0.174 1.00 0.00 H new ATOM 437 N ALA A 28 9.029 36.968 -7.562 1.00 0.00 N ATOM 438 CA ALA A 28 9.897 37.311 -8.715 1.00 0.00 C ATOM 439 C ALA A 28 9.586 38.634 -9.409 1.00 0.00 C ATOM 440 O ALA A 28 10.487 39.219 -10.041 1.00 0.00 O ATOM 441 CB ALA A 28 9.769 36.086 -9.697 1.00 0.00 C ATOM 0 H ALA A 28 8.297 36.294 -7.786 1.00 0.00 H new ATOM 0 HA ALA A 28 10.915 37.477 -8.363 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.384 36.262 -10.580 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.107 35.180 -9.194 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.728 35.968 -9.998 1.00 0.00 H new ATOM 447 N LYS A 29 8.343 39.072 -9.334 1.00 0.00 N ATOM 448 CA LYS A 29 7.970 40.353 -9.804 1.00 0.00 C ATOM 449 C LYS A 29 8.437 41.404 -8.789 1.00 0.00 C ATOM 450 O LYS A 29 9.037 42.376 -9.161 1.00 0.00 O ATOM 451 CB LYS A 29 6.448 40.387 -10.137 1.00 0.00 C ATOM 452 CG LYS A 29 6.066 39.505 -11.416 1.00 0.00 C ATOM 453 CD LYS A 29 4.611 39.819 -11.753 1.00 0.00 C ATOM 454 CE LYS A 29 3.942 38.833 -12.827 1.00 0.00 C ATOM 455 NZ LYS A 29 2.694 39.462 -13.216 1.00 0.00 N ATOM 0 H LYS A 29 7.574 38.530 -8.939 1.00 0.00 H new ATOM 0 HA LYS A 29 8.463 40.593 -10.746 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.885 40.029 -9.275 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.143 41.419 -10.310 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.717 39.743 -12.257 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.193 38.443 -11.205 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.025 39.785 -10.835 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.552 40.840 -12.131 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.595 38.692 -13.689 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.766 37.847 -12.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.267 38.929 -14.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.042 39.469 -12.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.878 40.439 -13.521 1.00 0.00 H new ATOM 469 N ILE A 30 8.368 41.055 -7.501 1.00 0.00 N ATOM 470 CA ILE A 30 9.081 41.850 -6.473 1.00 0.00 C ATOM 471 C ILE A 30 10.608 41.927 -6.684 1.00 0.00 C ATOM 472 O ILE A 30 11.205 43.032 -6.576 1.00 0.00 O ATOM 473 CB ILE A 30 8.697 41.295 -5.082 1.00 0.00 C ATOM 474 CG1 ILE A 30 7.198 41.621 -4.809 1.00 0.00 C ATOM 475 CG2 ILE A 30 9.662 41.938 -3.988 1.00 0.00 C ATOM 476 CD1 ILE A 30 6.662 40.791 -3.618 1.00 0.00 C ATOM 0 H ILE A 30 7.846 40.255 -7.144 1.00 0.00 H new ATOM 0 HA ILE A 30 8.762 42.889 -6.558 1.00 0.00 H new ATOM 0 HB ILE A 30 8.818 40.213 -5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.085 42.684 -4.597 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.607 41.410 -5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.401 41.554 -3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.696 41.678 -4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.550 43.022 -3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.614 41.036 -3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.754 39.729 -3.844 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.240 41.023 -2.723 1.00 0.00 H new ATOM 488 N GLN A 31 11.260 40.855 -7.014 1.00 0.00 N ATOM 489 CA GLN A 31 12.713 40.954 -7.417 1.00 0.00 C ATOM 490 C GLN A 31 13.078 41.815 -8.618 1.00 0.00 C ATOM 491 O GLN A 31 14.146 42.479 -8.581 1.00 0.00 O ATOM 492 CB GLN A 31 13.184 39.536 -7.532 1.00 0.00 C ATOM 493 CG GLN A 31 14.686 39.365 -7.974 1.00 0.00 C ATOM 494 CD GLN A 31 15.766 40.125 -7.156 1.00 0.00 C ATOM 495 OE1 GLN A 31 16.122 39.829 -5.951 1.00 0.00 O ATOM 496 NE2 GLN A 31 16.576 40.945 -7.842 1.00 0.00 N ATOM 0 H GLN A 31 10.867 39.914 -7.027 1.00 0.00 H new ATOM 0 HA GLN A 31 13.235 41.525 -6.650 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.047 39.045 -6.569 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.549 39.015 -8.249 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.927 38.302 -7.943 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.768 39.680 -9.014 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.341 41.211 -8.798 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.427 41.303 -7.407 1.00 0.00 H new ATOM 505 N ASP A 32 12.191 41.887 -9.616 1.00 0.00 N ATOM 506 CA ASP A 32 12.249 42.974 -10.619 1.00 0.00 C ATOM 507 C ASP A 32 11.984 44.382 -10.019 1.00 0.00 C ATOM 508 O ASP A 32 12.797 45.291 -10.282 1.00 0.00 O ATOM 509 CB ASP A 32 11.269 42.669 -11.795 1.00 0.00 C ATOM 510 CG ASP A 32 11.749 41.432 -12.579 1.00 0.00 C ATOM 511 OD1 ASP A 32 12.953 41.108 -12.598 1.00 0.00 O ATOM 512 OD2 ASP A 32 10.849 40.852 -13.164 1.00 0.00 O ATOM 0 H ASP A 32 11.432 41.220 -9.757 1.00 0.00 H new ATOM 0 HA ASP A 32 13.271 43.002 -10.998 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.265 42.496 -11.406 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.209 43.530 -12.461 1.00 0.00 H new ATOM 517 N LYS A 33 10.930 44.549 -9.211 1.00 0.00 N ATOM 518 CA LYS A 33 10.629 45.897 -8.737 1.00 0.00 C ATOM 519 C LYS A 33 11.729 46.525 -7.865 1.00 0.00 C ATOM 520 O LYS A 33 12.048 47.713 -8.089 1.00 0.00 O ATOM 521 CB LYS A 33 9.235 45.783 -8.041 1.00 0.00 C ATOM 522 CG LYS A 33 8.771 47.152 -7.455 1.00 0.00 C ATOM 523 CD LYS A 33 8.460 48.131 -8.641 1.00 0.00 C ATOM 524 CE LYS A 33 8.443 49.631 -8.117 1.00 0.00 C ATOM 525 NZ LYS A 33 9.896 50.069 -7.889 1.00 0.00 N ATOM 0 H LYS A 33 10.305 43.811 -8.888 1.00 0.00 H new ATOM 0 HA LYS A 33 10.594 46.605 -9.565 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.497 45.426 -8.759 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.286 45.043 -7.242 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.885 47.016 -6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.547 47.570 -6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.211 48.019 -9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.497 47.882 -9.086 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.958 50.283 -8.843 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.873 49.705 -7.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.997 51.076 -8.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.150 49.923 -6.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.527 49.505 -8.493 1.00 0.00 H new ATOM 539 N GLU A 34 12.231 45.752 -6.891 1.00 0.00 N ATOM 540 CA GLU A 34 12.936 46.278 -5.675 1.00 0.00 C ATOM 541 C GLU A 34 14.206 45.494 -5.371 1.00 0.00 C ATOM 542 O GLU A 34 15.008 45.908 -4.522 1.00 0.00 O ATOM 543 CB GLU A 34 11.985 46.186 -4.400 1.00 0.00 C ATOM 544 CG GLU A 34 10.830 47.250 -4.303 1.00 0.00 C ATOM 545 CD GLU A 34 11.341 48.739 -4.487 1.00 0.00 C ATOM 546 OE1 GLU A 34 12.259 49.163 -3.792 1.00 0.00 O ATOM 547 OE2 GLU A 34 10.819 49.443 -5.379 1.00 0.00 O ATOM 0 H GLU A 34 12.167 44.734 -6.909 1.00 0.00 H new ATOM 0 HA GLU A 34 13.197 47.315 -5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.536 45.193 -4.381 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.604 46.273 -3.507 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.079 47.033 -5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.339 47.158 -3.334 1.00 0.00 H new ATOM 554 N GLY A 35 14.430 44.333 -6.037 1.00 0.00 N ATOM 555 CA GLY A 35 15.664 43.608 -5.880 1.00 0.00 C ATOM 556 C GLY A 35 15.810 42.742 -4.610 1.00 0.00 C ATOM 557 O GLY A 35 16.918 42.418 -4.222 1.00 0.00 O ATOM 0 H GLY A 35 13.763 43.902 -6.677 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.790 42.961 -6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.484 44.326 -5.897 1.00 0.00 H new ATOM 561 N ILE A 36 14.677 42.316 -4.020 1.00 0.00 N ATOM 562 CA ILE A 36 14.650 41.654 -2.726 1.00 0.00 C ATOM 563 C ILE A 36 14.729 40.165 -2.961 1.00 0.00 C ATOM 564 O ILE A 36 13.906 39.785 -3.774 1.00 0.00 O ATOM 565 CB ILE A 36 13.279 42.078 -2.106 1.00 0.00 C ATOM 566 CG1 ILE A 36 13.261 43.636 -1.945 1.00 0.00 C ATOM 567 CG2 ILE A 36 13.148 41.391 -0.717 1.00 0.00 C ATOM 568 CD1 ILE A 36 12.051 44.144 -1.073 1.00 0.00 C ATOM 0 H ILE A 36 13.755 42.428 -4.441 1.00 0.00 H new ATOM 0 HA ILE A 36 15.473 41.919 -2.063 1.00 0.00 H new ATOM 0 HB ILE A 36 12.448 41.778 -2.744 1.00 0.00 H new ATOM 0 HG12 ILE A 36 14.195 43.960 -1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.212 44.098 -2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.198 41.670 -0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.187 40.309 -0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.967 41.712 -0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.089 45.231 -0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.114 43.847 -1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.112 43.707 -0.076 1.00 0.00 H new ATOM 580 N PRO A 37 15.680 39.391 -2.392 1.00 0.00 N ATOM 581 CA PRO A 37 15.911 37.973 -2.827 1.00 0.00 C ATOM 582 C PRO A 37 14.597 37.192 -2.956 1.00 0.00 C ATOM 583 O PRO A 37 13.861 37.193 -1.995 1.00 0.00 O ATOM 584 CB PRO A 37 16.831 37.438 -1.674 1.00 0.00 C ATOM 585 CG PRO A 37 17.747 38.603 -1.438 1.00 0.00 C ATOM 586 CD PRO A 37 16.821 39.844 -1.583 1.00 0.00 C ATOM 0 HA PRO A 37 16.357 37.874 -3.816 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.259 37.181 -0.782 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.378 36.543 -1.971 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.203 38.558 -0.449 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.560 38.625 -2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 37 16.492 40.204 -0.608 1.00 0.00 H new ATOM 0 HD3 PRO A 37 17.343 40.669 -2.068 1.00 0.00 H new ATOM 594 N PRO A 38 14.302 36.513 -4.056 1.00 0.00 N ATOM 595 CA PRO A 38 12.996 35.810 -4.187 1.00 0.00 C ATOM 596 C PRO A 38 12.899 34.557 -3.364 1.00 0.00 C ATOM 597 O PRO A 38 11.790 34.267 -2.904 1.00 0.00 O ATOM 598 CB PRO A 38 12.784 35.615 -5.736 1.00 0.00 C ATOM 599 CG PRO A 38 14.222 35.686 -6.310 1.00 0.00 C ATOM 600 CD PRO A 38 14.862 36.730 -5.387 1.00 0.00 C ATOM 0 HA PRO A 38 12.178 36.396 -3.768 1.00 0.00 H new ATOM 0 HB2 PRO A 38 12.310 34.659 -5.959 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.146 36.393 -6.155 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.733 34.724 -6.260 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.233 35.998 -7.354 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.946 36.621 -5.373 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.647 37.740 -5.737 1.00 0.00 H new ATOM 608 N ASP A 39 14.043 33.907 -3.104 1.00 0.00 N ATOM 609 CA ASP A 39 14.131 32.657 -2.318 1.00 0.00 C ATOM 610 C ASP A 39 13.885 32.890 -0.815 1.00 0.00 C ATOM 611 O ASP A 39 13.573 31.943 -0.085 1.00 0.00 O ATOM 612 CB ASP A 39 15.473 31.873 -2.585 1.00 0.00 C ATOM 613 CG ASP A 39 16.737 32.794 -2.739 1.00 0.00 C ATOM 614 OD1 ASP A 39 16.734 33.616 -3.692 1.00 0.00 O ATOM 615 OD2 ASP A 39 17.693 32.586 -1.976 1.00 0.00 O ATOM 0 H ASP A 39 14.949 34.236 -3.437 1.00 0.00 H new ATOM 0 HA ASP A 39 13.322 32.018 -2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 39 15.643 31.176 -1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 39 15.359 31.277 -3.491 1.00 0.00 H new ATOM 620 N GLN A 40 13.856 34.145 -0.365 1.00 0.00 N ATOM 621 CA GLN A 40 13.858 34.402 1.070 1.00 0.00 C ATOM 622 C GLN A 40 12.563 35.138 1.533 1.00 0.00 C ATOM 623 O GLN A 40 12.508 35.621 2.650 1.00 0.00 O ATOM 624 CB GLN A 40 15.128 35.238 1.315 1.00 0.00 C ATOM 625 CG GLN A 40 16.429 34.475 0.872 1.00 0.00 C ATOM 626 CD GLN A 40 16.552 33.148 1.657 1.00 0.00 C ATOM 627 OE1 GLN A 40 16.116 33.043 2.812 1.00 0.00 O ATOM 628 NE2 GLN A 40 17.118 32.102 1.047 1.00 0.00 N ATOM 0 H GLN A 40 13.832 34.976 -0.956 1.00 0.00 H new ATOM 0 HA GLN A 40 13.866 33.480 1.651 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.055 36.178 0.768 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.198 35.490 2.373 1.00 0.00 H new ATOM 0 HG2 GLN A 40 16.396 34.273 -0.199 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.306 35.097 1.052 1.00 0.00 H new ATOM 0 HE21 GLN A 40 17.474 32.198 0.096 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.194 31.208 1.532 1.00 0.00 H new ATOM 637 N GLN A 41 11.516 35.201 0.701 1.00 0.00 N ATOM 638 CA GLN A 41 10.319 35.939 1.030 1.00 0.00 C ATOM 639 C GLN A 41 9.286 34.944 1.598 1.00 0.00 C ATOM 640 O GLN A 41 9.211 33.787 1.115 1.00 0.00 O ATOM 641 CB GLN A 41 9.772 36.617 -0.278 1.00 0.00 C ATOM 642 CG GLN A 41 10.827 37.475 -0.924 1.00 0.00 C ATOM 643 CD GLN A 41 10.195 38.341 -2.074 1.00 0.00 C ATOM 644 OE1 GLN A 41 8.987 38.297 -2.427 1.00 0.00 O ATOM 645 NE2 GLN A 41 10.962 38.973 -2.908 1.00 0.00 N ATOM 0 H GLN A 41 11.487 34.741 -0.209 1.00 0.00 H new ATOM 0 HA GLN A 41 10.521 36.714 1.770 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.443 35.850 -0.979 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.900 37.225 -0.039 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.284 38.126 -0.178 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.621 36.846 -1.327 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.959 39.065 -2.714 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.568 39.378 -3.757 1.00 0.00 H new ATOM 654 N ARG A 42 8.551 35.360 2.650 1.00 0.00 N ATOM 655 CA ARG A 42 7.308 34.702 3.076 1.00 0.00 C ATOM 656 C ARG A 42 6.243 35.742 2.948 1.00 0.00 C ATOM 657 O ARG A 42 6.287 36.701 3.744 1.00 0.00 O ATOM 658 CB ARG A 42 7.422 34.226 4.593 1.00 0.00 C ATOM 659 CG ARG A 42 8.509 33.117 4.787 1.00 0.00 C ATOM 660 CD ARG A 42 8.148 31.694 4.174 1.00 0.00 C ATOM 661 NE ARG A 42 7.243 30.909 5.089 1.00 0.00 N ATOM 662 CZ ARG A 42 7.029 29.550 4.902 1.00 0.00 C ATOM 663 NH1 ARG A 42 7.242 28.992 3.767 1.00 0.00 N ATOM 664 NH2 ARG A 42 6.614 28.745 5.869 1.00 0.00 N ATOM 0 H ARG A 42 8.807 36.162 3.225 1.00 0.00 H new ATOM 0 HA ARG A 42 7.094 33.819 2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.663 35.082 5.223 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.456 33.847 4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.440 33.462 4.337 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.696 32.997 5.854 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.663 31.826 3.207 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.064 31.131 3.996 1.00 0.00 H new ATOM 0 HE ARG A 42 6.778 31.386 5.861 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.575 29.548 2.980 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.078 27.992 3.652 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.437 29.118 6.802 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.472 27.753 5.681 1.00 0.00 H new ATOM 678 N LEU A 43 5.306 35.570 1.940 1.00 0.00 N ATOM 679 CA LEU A 43 4.176 36.463 1.801 1.00 0.00 C ATOM 680 C LEU A 43 2.897 35.878 2.517 1.00 0.00 C ATOM 681 O LEU A 43 2.497 34.722 2.288 1.00 0.00 O ATOM 682 CB LEU A 43 3.868 36.709 0.269 1.00 0.00 C ATOM 683 CG LEU A 43 4.787 37.783 -0.406 1.00 0.00 C ATOM 684 CD1 LEU A 43 5.454 37.270 -1.739 1.00 0.00 C ATOM 685 CD2 LEU A 43 3.983 39.086 -0.621 1.00 0.00 C ATOM 0 H LEU A 43 5.345 34.824 1.245 1.00 0.00 H new ATOM 0 HA LEU A 43 4.431 37.410 2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.975 35.766 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.828 37.019 0.164 1.00 0.00 H new ATOM 0 HG LEU A 43 5.619 37.988 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.079 38.058 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.068 36.395 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.677 37.002 -2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.622 39.834 -1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.127 38.883 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.633 39.460 0.341 1.00 0.00 H new ATOM 697 N ILE A 44 2.283 36.690 3.397 1.00 0.00 N ATOM 698 CA ILE A 44 1.081 36.297 4.196 1.00 0.00 C ATOM 699 C ILE A 44 -0.106 37.187 3.766 1.00 0.00 C ATOM 700 O ILE A 44 0.088 38.382 3.482 1.00 0.00 O ATOM 701 CB ILE A 44 1.377 36.565 5.647 1.00 0.00 C ATOM 702 CG1 ILE A 44 2.518 35.648 6.128 1.00 0.00 C ATOM 703 CG2 ILE A 44 0.131 36.225 6.575 1.00 0.00 C ATOM 704 CD1 ILE A 44 3.811 36.533 6.300 1.00 0.00 C ATOM 0 H ILE A 44 2.598 37.642 3.583 1.00 0.00 H new ATOM 0 HA ILE A 44 0.841 35.245 4.039 1.00 0.00 H new ATOM 0 HB ILE A 44 1.634 37.622 5.720 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.253 35.172 7.072 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.695 34.850 5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.385 36.432 7.615 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.720 36.838 6.280 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.126 35.171 6.467 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.637 35.908 6.641 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.070 36.988 5.344 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.621 37.316 7.035 1.00 0.00 H new ATOM 716 N PHE A 45 -1.331 36.625 3.727 1.00 0.00 N ATOM 717 CA PHE A 45 -2.538 37.432 3.723 1.00 0.00 C ATOM 718 C PHE A 45 -3.387 37.204 4.970 1.00 0.00 C ATOM 719 O PHE A 45 -3.903 36.145 5.208 1.00 0.00 O ATOM 720 CB PHE A 45 -3.317 37.155 2.393 1.00 0.00 C ATOM 721 CG PHE A 45 -4.657 37.808 2.143 1.00 0.00 C ATOM 722 CD1 PHE A 45 -5.754 37.043 1.757 1.00 0.00 C ATOM 723 CD2 PHE A 45 -4.800 39.183 2.304 1.00 0.00 C ATOM 724 CE1 PHE A 45 -6.991 37.648 1.398 1.00 0.00 C ATOM 725 CE2 PHE A 45 -5.965 39.822 1.874 1.00 0.00 C ATOM 726 CZ PHE A 45 -7.090 39.061 1.483 1.00 0.00 C ATOM 0 H PHE A 45 -1.496 35.619 3.698 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.271 38.488 3.758 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.661 37.439 1.570 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.466 36.077 2.325 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.664 35.967 1.729 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.008 39.757 2.762 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.829 37.050 1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.006 40.901 1.840 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.022 39.554 1.250 1.00 0.00 H new ATOM 736 N ALA A 46 -3.483 38.275 5.809 1.00 0.00 N ATOM 737 CA ALA A 46 -4.338 38.379 6.991 1.00 0.00 C ATOM 738 C ALA A 46 -4.378 37.154 7.915 1.00 0.00 C ATOM 739 O ALA A 46 -5.433 36.741 8.376 1.00 0.00 O ATOM 740 CB ALA A 46 -5.782 38.769 6.569 1.00 0.00 C ATOM 0 H ALA A 46 -2.933 39.121 5.657 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.871 39.158 7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.412 38.844 7.455 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.764 39.730 6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.184 38.007 5.901 1.00 0.00 H new ATOM 746 N GLY A 47 -3.216 36.579 8.227 1.00 0.00 N ATOM 747 CA GLY A 47 -3.104 35.308 9.012 1.00 0.00 C ATOM 748 C GLY A 47 -2.845 34.014 8.239 1.00 0.00 C ATOM 749 O GLY A 47 -2.876 32.935 8.857 1.00 0.00 O ATOM 0 H GLY A 47 -2.314 36.967 7.951 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.300 35.432 9.737 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.027 35.181 9.578 1.00 0.00 H new ATOM 753 N LYS A 48 -2.590 34.081 6.900 1.00 0.00 N ATOM 754 CA LYS A 48 -2.241 32.855 6.152 1.00 0.00 C ATOM 755 C LYS A 48 -1.021 32.988 5.149 1.00 0.00 C ATOM 756 O LYS A 48 -1.100 33.687 4.155 1.00 0.00 O ATOM 757 CB LYS A 48 -3.532 32.363 5.429 1.00 0.00 C ATOM 758 CG LYS A 48 -3.372 31.358 4.243 1.00 0.00 C ATOM 759 CD LYS A 48 -2.646 30.029 4.592 1.00 0.00 C ATOM 760 CE LYS A 48 -3.518 29.148 5.517 1.00 0.00 C ATOM 761 NZ LYS A 48 -2.720 27.975 6.007 1.00 0.00 N ATOM 0 H LYS A 48 -2.619 34.936 6.344 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.881 32.123 6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.176 31.898 6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.060 33.240 5.054 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.362 31.121 3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.824 31.852 3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.416 29.485 3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.696 30.247 5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.874 29.736 6.363 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.399 28.800 4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.312 27.387 6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.401 27.409 5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.893 28.315 6.538 1.00 0.00 H new ATOM 775 N GLN A 49 0.063 32.265 5.463 1.00 0.00 N ATOM 776 CA GLN A 49 1.252 32.082 4.595 1.00 0.00 C ATOM 777 C GLN A 49 0.794 31.390 3.332 1.00 0.00 C ATOM 778 O GLN A 49 0.210 30.292 3.354 1.00 0.00 O ATOM 779 CB GLN A 49 2.302 31.319 5.435 1.00 0.00 C ATOM 780 CG GLN A 49 3.781 31.610 4.945 1.00 0.00 C ATOM 781 CD GLN A 49 4.162 31.255 3.511 1.00 0.00 C ATOM 782 OE1 GLN A 49 4.388 32.257 2.753 1.00 0.00 O ATOM 783 NE2 GLN A 49 4.112 29.938 3.084 1.00 0.00 N ATOM 0 H GLN A 49 0.147 31.774 6.353 1.00 0.00 H new ATOM 0 HA GLN A 49 1.727 33.007 4.268 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.205 31.604 6.483 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.105 30.249 5.376 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.971 32.674 5.084 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.460 31.076 5.609 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.925 29.192 3.754 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.262 29.715 2.100 1.00 0.00 H new ATOM 792 N LEU A 50 1.126 32.033 2.183 1.00 0.00 N ATOM 793 CA LEU A 50 0.560 31.675 0.947 1.00 0.00 C ATOM 794 C LEU A 50 1.569 30.796 0.208 1.00 0.00 C ATOM 795 O LEU A 50 2.669 31.205 -0.042 1.00 0.00 O ATOM 796 CB LEU A 50 0.263 33.007 0.169 1.00 0.00 C ATOM 797 CG LEU A 50 -0.524 34.097 0.970 1.00 0.00 C ATOM 798 CD1 LEU A 50 -0.646 35.438 0.102 1.00 0.00 C ATOM 799 CD2 LEU A 50 -1.950 33.620 1.349 1.00 0.00 C ATOM 0 H LEU A 50 1.793 32.803 2.134 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.369 31.114 1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.211 33.435 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.303 32.763 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 50 0.034 34.286 1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.195 36.190 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.351 35.814 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.177 35.224 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.461 34.407 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.510 33.392 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.882 32.725 1.968 1.00 0.00 H new ATOM 811 N GLU A 51 1.211 29.504 -0.014 1.00 0.00 N ATOM 812 CA GLU A 51 2.051 28.497 -0.648 1.00 0.00 C ATOM 813 C GLU A 51 2.460 28.931 -2.075 1.00 0.00 C ATOM 814 O GLU A 51 1.690 29.559 -2.787 1.00 0.00 O ATOM 815 CB GLU A 51 1.207 27.188 -0.788 1.00 0.00 C ATOM 816 CG GLU A 51 0.835 26.560 0.602 1.00 0.00 C ATOM 817 CD GLU A 51 -0.031 25.302 0.377 1.00 0.00 C ATOM 818 OE1 GLU A 51 0.378 24.218 0.762 1.00 0.00 O ATOM 819 OE2 GLU A 51 -1.183 25.471 -0.055 1.00 0.00 O ATOM 0 H GLU A 51 0.298 29.140 0.258 1.00 0.00 H new ATOM 0 HA GLU A 51 2.946 28.355 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.293 27.406 -1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.767 26.459 -1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.740 26.299 1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.293 27.285 1.208 1.00 0.00 H new ATOM 826 N ASP A 52 3.705 28.638 -2.445 1.00 0.00 N ATOM 827 CA ASP A 52 4.383 29.320 -3.566 1.00 0.00 C ATOM 828 C ASP A 52 3.660 29.183 -4.905 1.00 0.00 C ATOM 829 O ASP A 52 3.787 30.103 -5.707 1.00 0.00 O ATOM 830 CB ASP A 52 5.853 28.814 -3.716 1.00 0.00 C ATOM 831 CG ASP A 52 6.785 29.480 -2.672 1.00 0.00 C ATOM 832 OD1 ASP A 52 7.997 29.325 -2.866 1.00 0.00 O ATOM 833 OD2 ASP A 52 6.284 30.237 -1.807 1.00 0.00 O ATOM 0 H ASP A 52 4.276 27.928 -1.986 1.00 0.00 H new ATOM 0 HA ASP A 52 4.372 30.379 -3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.882 27.731 -3.594 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.214 29.032 -4.721 1.00 0.00 H new ATOM 838 N GLY A 53 3.021 28.042 -5.069 1.00 0.00 N ATOM 839 CA GLY A 53 2.408 27.641 -6.384 1.00 0.00 C ATOM 840 C GLY A 53 0.942 28.055 -6.478 1.00 0.00 C ATOM 841 O GLY A 53 0.261 27.860 -7.491 1.00 0.00 O ATOM 0 H GLY A 53 2.896 27.355 -4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.968 28.098 -7.200 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.489 26.561 -6.508 1.00 0.00 H new ATOM 845 N ARG A 54 0.403 28.549 -5.360 1.00 0.00 N ATOM 846 CA ARG A 54 -1.041 28.933 -5.250 1.00 0.00 C ATOM 847 C ARG A 54 -1.276 30.279 -5.919 1.00 0.00 C ATOM 848 O ARG A 54 -0.311 30.974 -6.169 1.00 0.00 O ATOM 849 CB ARG A 54 -1.521 29.017 -3.800 1.00 0.00 C ATOM 850 CG ARG A 54 -1.486 27.655 -3.054 1.00 0.00 C ATOM 851 CD ARG A 54 -2.482 26.562 -3.533 1.00 0.00 C ATOM 852 NE ARG A 54 -2.324 25.482 -2.522 1.00 0.00 N ATOM 853 CZ ARG A 54 -2.839 24.247 -2.621 1.00 0.00 C ATOM 854 NH1 ARG A 54 -3.801 23.974 -3.452 1.00 0.00 N ATOM 855 NH2 ARG A 54 -2.533 23.413 -1.666 1.00 0.00 N ATOM 0 H ARG A 54 0.935 28.700 -4.503 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.610 28.149 -5.749 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.900 29.733 -3.261 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.540 29.404 -3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.477 27.251 -3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.672 27.843 -1.997 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.505 26.937 -3.564 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.241 26.211 -4.536 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.780 25.698 -1.686 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.183 24.708 -4.049 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.174 23.026 -3.507 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.932 23.714 -0.899 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.895 22.460 -1.686 1.00 0.00 H new ATOM 869 N THR A 55 -2.530 30.602 -6.321 1.00 0.00 N ATOM 870 CA THR A 55 -2.767 31.849 -7.066 1.00 0.00 C ATOM 871 C THR A 55 -3.468 32.846 -6.177 1.00 0.00 C ATOM 872 O THR A 55 -4.067 32.500 -5.204 1.00 0.00 O ATOM 873 CB THR A 55 -3.501 31.625 -8.403 1.00 0.00 C ATOM 874 OG1 THR A 55 -4.848 31.219 -8.212 1.00 0.00 O ATOM 875 CG2 THR A 55 -2.667 30.549 -9.205 1.00 0.00 C ATOM 0 H THR A 55 -3.361 30.036 -6.147 1.00 0.00 H new ATOM 0 HA THR A 55 -1.798 32.261 -7.349 1.00 0.00 H new ATOM 0 HB THR A 55 -3.564 32.557 -8.964 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.882 30.502 -7.545 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.149 30.356 -10.163 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.658 30.924 -9.375 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.618 29.624 -8.630 1.00 0.00 H new ATOM 883 N LEU A 56 -3.437 34.111 -6.579 1.00 0.00 N ATOM 884 CA LEU A 56 -4.242 35.130 -5.884 1.00 0.00 C ATOM 885 C LEU A 56 -5.743 34.800 -5.881 1.00 0.00 C ATOM 886 O LEU A 56 -6.429 35.010 -4.855 1.00 0.00 O ATOM 887 CB LEU A 56 -4.071 36.487 -6.651 1.00 0.00 C ATOM 888 CG LEU A 56 -2.580 36.961 -6.759 1.00 0.00 C ATOM 889 CD1 LEU A 56 -2.499 38.378 -7.348 1.00 0.00 C ATOM 890 CD2 LEU A 56 -1.728 36.885 -5.423 1.00 0.00 C ATOM 0 H LEU A 56 -2.881 34.458 -7.361 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.896 35.174 -4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.484 36.383 -7.654 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.653 37.257 -6.145 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.121 36.234 -7.430 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.455 38.686 -7.413 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.942 38.384 -8.344 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.042 39.071 -6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.715 37.237 -5.617 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.190 37.512 -4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.693 35.854 -5.072 1.00 0.00 H new ATOM 902 N SER A 57 -6.258 34.216 -6.992 1.00 0.00 N ATOM 903 CA SER A 57 -7.618 33.666 -7.037 1.00 0.00 C ATOM 904 C SER A 57 -7.985 32.610 -5.952 1.00 0.00 C ATOM 905 O SER A 57 -9.086 32.643 -5.431 1.00 0.00 O ATOM 906 CB SER A 57 -7.861 32.979 -8.381 1.00 0.00 C ATOM 907 OG SER A 57 -7.823 33.940 -9.455 1.00 0.00 O ATOM 0 H SER A 57 -5.742 34.118 -7.867 1.00 0.00 H new ATOM 0 HA SER A 57 -8.239 34.544 -6.860 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.105 32.211 -8.545 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.828 32.476 -8.369 1.00 0.00 H new ATOM 0 HG SER A 57 -6.908 34.276 -9.561 1.00 0.00 H new ATOM 913 N ASP A 58 -7.057 31.712 -5.615 1.00 0.00 N ATOM 914 CA ASP A 58 -7.256 30.580 -4.685 1.00 0.00 C ATOM 915 C ASP A 58 -7.469 31.062 -3.250 1.00 0.00 C ATOM 916 O ASP A 58 -8.104 30.363 -2.467 1.00 0.00 O ATOM 917 CB ASP A 58 -6.012 29.651 -4.624 1.00 0.00 C ATOM 918 CG ASP A 58 -5.880 28.928 -5.982 1.00 0.00 C ATOM 919 OD1 ASP A 58 -6.786 28.181 -6.310 1.00 0.00 O ATOM 920 OD2 ASP A 58 -4.900 29.135 -6.674 1.00 0.00 O ATOM 0 H ASP A 58 -6.110 31.747 -5.991 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.129 30.050 -5.068 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.114 30.232 -4.414 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.118 28.926 -3.817 1.00 0.00 H new ATOM 925 N TYR A 59 -6.763 32.125 -2.863 1.00 0.00 N ATOM 926 CA TYR A 59 -6.861 32.677 -1.450 1.00 0.00 C ATOM 927 C TYR A 59 -7.766 33.888 -1.269 1.00 0.00 C ATOM 928 O TYR A 59 -7.716 34.588 -0.204 1.00 0.00 O ATOM 929 CB TYR A 59 -5.476 33.093 -0.918 1.00 0.00 C ATOM 930 CG TYR A 59 -4.580 31.911 -0.698 1.00 0.00 C ATOM 931 CD1 TYR A 59 -3.356 31.773 -1.356 1.00 0.00 C ATOM 932 CD2 TYR A 59 -4.920 31.115 0.398 1.00 0.00 C ATOM 933 CE1 TYR A 59 -2.523 30.676 -1.019 1.00 0.00 C ATOM 934 CE2 TYR A 59 -4.106 30.016 0.701 1.00 0.00 C ATOM 935 CZ TYR A 59 -2.872 29.863 0.033 1.00 0.00 C ATOM 936 OH TYR A 59 -1.985 28.841 0.318 1.00 0.00 O ATOM 0 H TYR A 59 -6.121 32.634 -3.471 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.298 31.845 -0.898 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.007 33.777 -1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.596 33.636 0.019 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.050 32.487 -2.106 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.789 31.341 0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.623 30.481 -1.583 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.420 29.292 1.439 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.318 28.321 1.079 1.00 0.00 H new ATOM 946 N ASN A 60 -8.522 34.249 -2.305 1.00 0.00 N ATOM 947 CA ASN A 60 -9.421 35.387 -2.264 1.00 0.00 C ATOM 948 C ASN A 60 -8.610 36.662 -2.177 1.00 0.00 C ATOM 949 O ASN A 60 -9.013 37.572 -1.447 1.00 0.00 O ATOM 950 CB ASN A 60 -10.529 35.288 -1.202 1.00 0.00 C ATOM 951 CG ASN A 60 -11.098 33.871 -1.088 1.00 0.00 C ATOM 952 OD1 ASN A 60 -11.109 33.329 0.053 1.00 0.00 O ATOM 953 ND2 ASN A 60 -11.733 33.354 -2.095 1.00 0.00 N ATOM 0 H ASN A 60 -8.524 33.754 -3.197 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.985 35.395 -3.197 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.131 35.597 -0.235 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.332 35.981 -1.452 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.259 32.488 -1.976 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.706 33.814 -3.005 1.00 0.00 H new ATOM 960 N ILE A 61 -7.529 36.748 -3.013 1.00 0.00 N ATOM 961 CA ILE A 61 -6.716 37.948 -3.070 1.00 0.00 C ATOM 962 C ILE A 61 -7.174 38.773 -4.274 1.00 0.00 C ATOM 963 O ILE A 61 -6.836 38.538 -5.410 1.00 0.00 O ATOM 964 CB ILE A 61 -5.172 37.612 -3.100 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.780 36.868 -1.774 1.00 0.00 C ATOM 966 CG2 ILE A 61 -4.383 39.013 -3.259 1.00 0.00 C ATOM 967 CD1 ILE A 61 -3.333 36.186 -1.862 1.00 0.00 C ATOM 0 H ILE A 61 -7.226 36.000 -3.636 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.854 38.539 -2.165 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.913 36.955 -3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.795 37.576 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.526 36.104 -1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.310 38.825 -3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.688 39.499 -4.186 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.618 39.661 -2.415 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.109 35.685 -0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.323 35.457 -2.672 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.581 36.952 -2.053 1.00 0.00 H new ATOM 979 N GLN A 62 -7.975 39.801 -3.938 1.00 0.00 N ATOM 980 CA GLN A 62 -8.549 40.765 -4.899 1.00 0.00 C ATOM 981 C GLN A 62 -7.637 41.963 -5.129 1.00 0.00 C ATOM 982 O GLN A 62 -6.712 42.240 -4.402 1.00 0.00 O ATOM 983 CB GLN A 62 -9.929 41.272 -4.364 1.00 0.00 C ATOM 984 CG GLN A 62 -9.848 41.946 -2.986 1.00 0.00 C ATOM 985 CD GLN A 62 -11.206 42.363 -2.402 1.00 0.00 C ATOM 986 OE1 GLN A 62 -11.711 41.646 -1.497 1.00 0.00 O ATOM 987 NE2 GLN A 62 -11.796 43.448 -2.928 1.00 0.00 N ATOM 0 H GLN A 62 -8.247 39.990 -2.973 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.668 40.247 -5.851 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.349 41.979 -5.080 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.618 40.429 -4.306 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.361 41.264 -2.289 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.213 42.829 -3.064 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.325 43.980 -3.660 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.715 43.740 -2.596 1.00 0.00 H new ATOM 996 N LYS A 63 -7.880 42.684 -6.221 1.00 0.00 N ATOM 997 CA LYS A 63 -7.254 44.021 -6.491 1.00 0.00 C ATOM 998 C LYS A 63 -7.453 45.028 -5.329 1.00 0.00 C ATOM 999 O LYS A 63 -8.427 44.947 -4.593 1.00 0.00 O ATOM 1000 CB LYS A 63 -7.793 44.647 -7.847 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.305 45.066 -7.672 1.00 0.00 C ATOM 1002 CD LYS A 63 -9.901 45.527 -9.019 1.00 0.00 C ATOM 1003 CE LYS A 63 -10.372 44.358 -9.974 1.00 0.00 C ATOM 1004 NZ LYS A 63 -10.893 44.895 -11.288 1.00 0.00 N ATOM 0 H LYS A 63 -8.514 42.377 -6.958 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.184 43.836 -6.582 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.194 45.515 -8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.697 43.924 -8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.878 44.224 -7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.383 45.870 -6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.752 46.178 -8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.157 46.127 -9.543 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.539 43.681 -10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.152 43.776 -9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.194 44.103 -11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.703 45.522 -11.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.141 45.429 -11.767 1.00 0.00 H new ATOM 1018 N GLU A 64 -6.373 45.813 -5.072 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.187 46.693 -3.874 1.00 0.00 C ATOM 1020 C GLU A 64 -6.149 45.951 -2.515 1.00 0.00 C ATOM 1021 O GLU A 64 -6.210 46.582 -1.444 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.099 47.945 -3.848 1.00 0.00 C ATOM 1023 CG GLU A 64 -6.676 48.871 -5.052 1.00 0.00 C ATOM 1024 CD GLU A 64 -7.459 50.220 -5.075 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -8.234 50.408 -6.023 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -7.277 51.058 -4.176 1.00 0.00 O ATOM 0 H GLU A 64 -5.579 45.856 -5.711 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.175 47.073 -4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.147 47.657 -3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.993 48.476 -2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.607 49.076 -4.990 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.844 48.341 -5.990 1.00 0.00 H new ATOM 1033 N SER A 65 -5.911 44.616 -2.539 1.00 0.00 N ATOM 1034 CA SER A 65 -5.569 43.898 -1.310 1.00 0.00 C ATOM 1035 C SER A 65 -4.118 44.294 -0.886 1.00 0.00 C ATOM 1036 O SER A 65 -3.188 44.432 -1.709 1.00 0.00 O ATOM 1037 CB SER A 65 -5.723 42.357 -1.347 1.00 0.00 C ATOM 1038 OG SER A 65 -7.022 41.960 -1.815 1.00 0.00 O ATOM 0 H SER A 65 -5.951 44.037 -3.378 1.00 0.00 H new ATOM 0 HA SER A 65 -6.310 44.210 -0.574 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.958 41.931 -1.996 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.557 41.951 -0.349 1.00 0.00 H new ATOM 0 HG SER A 65 -7.152 42.283 -2.731 1.00 0.00 H new ATOM 1044 N THR A 66 -3.952 44.394 0.452 1.00 0.00 N ATOM 1045 CA THR A 66 -2.631 44.539 1.034 1.00 0.00 C ATOM 1046 C THR A 66 -2.180 43.125 1.473 1.00 0.00 C ATOM 1047 O THR A 66 -2.786 42.472 2.315 1.00 0.00 O ATOM 1048 CB THR A 66 -2.608 45.512 2.269 1.00 0.00 C ATOM 1049 OG1 THR A 66 -2.697 46.871 1.919 1.00 0.00 O ATOM 1050 CG2 THR A 66 -1.238 45.441 3.038 1.00 0.00 C ATOM 0 H THR A 66 -4.716 44.376 1.128 1.00 0.00 H new ATOM 0 HA THR A 66 -1.961 44.976 0.294 1.00 0.00 H new ATOM 0 HB THR A 66 -3.465 45.185 2.858 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.679 47.420 2.731 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.260 46.127 3.885 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.075 44.425 3.398 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.428 45.722 2.365 1.00 0.00 H new ATOM 1058 N LEU A 67 -1.023 42.689 0.905 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.284 41.507 1.346 1.00 0.00 C ATOM 1060 C LEU A 67 0.765 41.962 2.359 1.00 0.00 C ATOM 1061 O LEU A 67 1.234 43.078 2.356 1.00 0.00 O ATOM 1062 CB LEU A 67 0.415 40.685 0.199 1.00 0.00 C ATOM 1063 CG LEU A 67 -0.570 40.160 -0.879 1.00 0.00 C ATOM 1064 CD1 LEU A 67 0.079 38.943 -1.712 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -1.947 39.694 -0.246 1.00 0.00 C ATOM 0 H LEU A 67 -0.584 43.166 0.118 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.016 40.823 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.165 41.313 -0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.943 39.839 0.640 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.768 40.992 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.632 38.594 -2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.988 39.285 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.321 38.126 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.607 39.334 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.766 38.892 0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.416 40.535 0.264 1.00 0.00 H new ATOM 1077 N HIS A 68 1.161 41.059 3.278 1.00 0.00 N ATOM 1078 CA HIS A 68 2.286 41.314 4.168 1.00 0.00 C ATOM 1079 C HIS A 68 3.516 40.522 3.620 1.00 0.00 C ATOM 1080 O HIS A 68 3.473 39.351 3.233 1.00 0.00 O ATOM 1081 CB HIS A 68 2.030 40.976 5.644 1.00 0.00 C ATOM 1082 CG HIS A 68 1.089 41.962 6.271 1.00 0.00 C ATOM 1083 ND1 HIS A 68 0.454 41.678 7.453 1.00 0.00 N ATOM 1084 CD2 HIS A 68 0.785 43.215 5.928 1.00 0.00 C ATOM 1085 CE1 HIS A 68 -0.203 42.769 7.817 1.00 0.00 C ATOM 1086 NE2 HIS A 68 -0.040 43.750 6.917 1.00 0.00 N ATOM 0 H HIS A 68 0.713 40.153 3.415 1.00 0.00 H new ATOM 0 HA HIS A 68 2.467 42.389 4.169 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.614 39.972 5.723 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.974 40.974 6.188 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.120 43.727 5.038 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.791 42.857 8.718 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.436 44.689 6.949 1.00 0.00 H new ATOM 1094 N LEU A 69 4.676 41.216 3.628 1.00 0.00 N ATOM 1095 CA LEU A 69 5.988 40.656 3.269 1.00 0.00 C ATOM 1096 C LEU A 69 6.915 40.482 4.479 1.00 0.00 C ATOM 1097 O LEU A 69 7.169 41.402 5.260 1.00 0.00 O ATOM 1098 CB LEU A 69 6.690 41.540 2.218 1.00 0.00 C ATOM 1099 CG LEU A 69 7.976 40.858 1.657 1.00 0.00 C ATOM 1100 CD1 LEU A 69 7.699 39.508 0.951 1.00 0.00 C ATOM 1101 CD2 LEU A 69 8.600 41.831 0.595 1.00 0.00 C ATOM 0 H LEU A 69 4.722 42.201 3.890 1.00 0.00 H new ATOM 0 HA LEU A 69 5.791 39.667 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.002 41.748 1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.952 42.499 2.665 1.00 0.00 H new ATOM 0 HG LEU A 69 8.637 40.656 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.637 39.089 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.243 38.815 1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.022 39.668 0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.504 41.385 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.881 42.005 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.849 42.779 1.072 1.00 0.00 H new ATOM 1113 N VAL A 70 7.454 39.276 4.611 1.00 0.00 N ATOM 1114 CA VAL A 70 8.400 38.957 5.703 1.00 0.00 C ATOM 1115 C VAL A 70 9.643 38.376 5.043 1.00 0.00 C ATOM 1116 O VAL A 70 9.532 37.505 4.176 1.00 0.00 O ATOM 1117 CB VAL A 70 7.818 37.954 6.725 1.00 0.00 C ATOM 1118 CG1 VAL A 70 8.937 37.587 7.780 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.643 38.594 7.561 1.00 0.00 C ATOM 0 H VAL A 70 7.260 38.496 3.983 1.00 0.00 H new ATOM 0 HA VAL A 70 8.621 39.862 6.269 1.00 0.00 H new ATOM 0 HB VAL A 70 7.462 37.091 6.163 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.535 36.880 8.505 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.787 37.137 7.267 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.261 38.491 8.296 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.258 37.860 8.269 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.014 39.463 8.105 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.843 38.902 6.888 1.00 0.00 H new ATOM 1129 N LEU A 71 10.800 38.895 5.403 1.00 0.00 N ATOM 1130 CA LEU A 71 12.077 38.313 4.891 1.00 0.00 C ATOM 1131 C LEU A 71 12.702 37.353 5.896 1.00 0.00 C ATOM 1132 O LEU A 71 12.773 37.641 7.072 1.00 0.00 O ATOM 1133 CB LEU A 71 13.111 39.414 4.508 1.00 0.00 C ATOM 1134 CG LEU A 71 13.036 39.948 3.043 1.00 0.00 C ATOM 1135 CD1 LEU A 71 13.380 38.844 1.998 1.00 0.00 C ATOM 1136 CD2 LEU A 71 11.619 40.492 2.717 1.00 0.00 C ATOM 0 H LEU A 71 10.909 39.694 6.028 1.00 0.00 H new ATOM 0 HA LEU A 71 11.816 37.758 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.982 40.257 5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 71 14.112 39.018 4.678 1.00 0.00 H new ATOM 0 HG LEU A 71 13.773 40.749 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.315 39.261 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.392 38.479 2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.674 38.019 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.597 40.857 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.887 39.693 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.377 41.308 3.398 1.00 0.00 H new ATOM 1148 N ARG A 72 13.192 36.171 5.403 1.00 0.00 N ATOM 1149 CA ARG A 72 13.794 35.152 6.260 1.00 0.00 C ATOM 1150 C ARG A 72 15.331 35.309 6.308 1.00 0.00 C ATOM 1151 O ARG A 72 16.068 34.423 6.715 1.00 0.00 O ATOM 1152 CB ARG A 72 13.366 33.685 5.930 1.00 0.00 C ATOM 1153 CG ARG A 72 11.872 33.453 6.405 1.00 0.00 C ATOM 1154 CD ARG A 72 11.539 31.950 6.764 1.00 0.00 C ATOM 1155 NE ARG A 72 11.516 31.101 5.548 1.00 0.00 N ATOM 1156 CZ ARG A 72 11.094 29.822 5.430 1.00 0.00 C ATOM 1157 NH1 ARG A 72 10.421 29.188 6.353 1.00 0.00 N ATOM 1158 NH2 ARG A 72 11.305 29.148 4.350 1.00 0.00 N ATOM 0 H ARG A 72 13.171 35.922 4.414 1.00 0.00 H new ATOM 0 HA ARG A 72 13.393 35.333 7.257 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.451 33.502 4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.031 32.980 6.428 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.678 34.076 7.278 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.195 33.787 5.618 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.282 31.567 7.464 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.572 31.899 7.265 1.00 0.00 H new ATOM 0 HE ARG A 72 11.862 31.537 4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.184 29.659 7.226 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.132 28.222 6.200 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.797 29.579 3.568 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.979 28.184 4.279 1.00 0.00 H new ATOM 1172 N LEU A 73 15.849 36.449 5.825 1.00 0.00 N ATOM 1173 CA LEU A 73 17.293 36.707 5.796 1.00 0.00 C ATOM 1174 C LEU A 73 18.057 36.613 7.162 1.00 0.00 C ATOM 1175 O LEU A 73 17.552 37.079 8.182 1.00 0.00 O ATOM 1176 CB LEU A 73 17.424 38.121 5.134 1.00 0.00 C ATOM 1177 CG LEU A 73 16.888 38.210 3.670 1.00 0.00 C ATOM 1178 CD1 LEU A 73 16.974 39.696 3.178 1.00 0.00 C ATOM 1179 CD2 LEU A 73 17.706 37.296 2.753 1.00 0.00 C ATOM 0 H LEU A 73 15.284 37.209 5.448 1.00 0.00 H new ATOM 0 HA LEU A 73 17.786 35.912 5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.887 38.845 5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.474 38.414 5.140 1.00 0.00 H new ATOM 0 HG LEU A 73 15.849 37.882 3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 73 16.601 39.763 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 73 16.370 40.330 3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.011 40.030 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 73 17.324 37.366 1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.751 37.605 2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.626 36.266 3.101 1.00 0.00 H new ATOM 1191 N ARG A 74 19.247 35.903 7.119 1.00 0.00 N ATOM 1192 CA ARG A 74 20.139 35.586 8.259 1.00 0.00 C ATOM 1193 C ARG A 74 21.598 35.733 7.705 1.00 0.00 C ATOM 1194 O ARG A 74 21.798 35.837 6.494 1.00 0.00 O ATOM 1195 CB ARG A 74 19.848 34.213 8.883 1.00 0.00 C ATOM 1196 CG ARG A 74 18.453 34.125 9.567 1.00 0.00 C ATOM 1197 CD ARG A 74 18.404 34.841 10.992 1.00 0.00 C ATOM 1198 NE ARG A 74 17.213 34.336 11.636 1.00 0.00 N ATOM 1199 CZ ARG A 74 17.074 33.062 12.194 1.00 0.00 C ATOM 1200 NH1 ARG A 74 18.039 32.168 12.103 1.00 0.00 N ATOM 1201 NH2 ARG A 74 15.875 32.690 12.497 1.00 0.00 N ATOM 0 H ARG A 74 19.607 35.529 6.241 1.00 0.00 H new ATOM 0 HA ARG A 74 19.977 36.269 9.093 1.00 0.00 H new ATOM 0 HB2 ARG A 74 19.913 33.449 8.108 1.00 0.00 H new ATOM 0 HB3 ARG A 74 20.620 33.986 9.619 1.00 0.00 H new ATOM 0 HG2 ARG A 74 17.707 34.578 8.914 1.00 0.00 H new ATOM 0 HG3 ARG A 74 18.179 33.077 9.685 1.00 0.00 H new ATOM 0 HD2 ARG A 74 19.294 34.611 11.578 1.00 0.00 H new ATOM 0 HD3 ARG A 74 18.363 35.925 10.886 1.00 0.00 H new ATOM 0 HE ARG A 74 16.408 34.960 11.688 1.00 0.00 H new ATOM 0 HH11 ARG A 74 18.906 32.401 11.619 1.00 0.00 H new ATOM 0 HH12 ARG A 74 17.918 31.244 12.517 1.00 0.00 H new ATOM 0 HH21 ARG A 74 15.088 33.316 12.326 1.00 0.00 H new ATOM 0 HH22 ARG A 74 15.715 31.770 12.907 1.00 0.00 H new ATOM 1215 N GLY A 75 22.623 35.816 8.568 1.00 0.00 N ATOM 1216 CA GLY A 75 23.942 36.226 8.170 1.00 0.00 C ATOM 1217 C GLY A 75 24.793 35.268 7.360 1.00 0.00 C ATOM 1218 O GLY A 75 24.375 34.285 6.797 1.00 0.00 O ATOM 0 H GLY A 75 22.541 35.596 9.561 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.842 37.146 7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.497 36.476 9.075 1.00 0.00 H new ATOM 1222 N GLY A 76 26.087 35.558 7.485 1.00 0.00 N ATOM 1223 CA GLY A 76 27.060 34.910 6.604 1.00 0.00 C ATOM 1224 C GLY A 76 28.495 35.015 7.067 1.00 0.00 C ATOM 1225 O GLY A 76 29.122 33.960 7.269 1.00 0.00 O ATOM 1226 OXT GLY A 76 28.953 36.139 7.188 1.00 0.00 O ATOM 0 H GLY A 76 26.478 36.213 8.162 1.00 0.00 H new ATOM 0 HA2 GLY A 76 26.799 33.856 6.509 1.00 0.00 H new ATOM 0 HA3 GLY A 76 26.980 35.349 5.610 1.00 0.00 H new TER 1230 GLY A 76