USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 762 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 90 HIS : no HD1:sc= 0 X(o=-0.00085,f=-0.00085) USER MOD Set 1.2: A 92 HIS : no HD1:sc=-0.000854 X(o=-0.00085,f=0) USER MOD Set 2.1: A 31 SER OG : rot 75:sc= 0.13 USER MOD Set 2.2: A 60 TYR OH : rot 54:sc= 0.0149 USER MOD Set 3.1: A 15 ASN : amide:sc= 0.79 K(o=0.87,f=-2.9!) USER MOD Set 3.2: A 25 GLN : amide:sc= -0.331 K(o=0.87,f=0.32) USER MOD Set 3.3: A 43 CYS SG : rot 84:sc= 0.414 USER MOD Set 4.1: A 13 ASN : amide:sc= 0.998 K(o=0.97,f=-7.7!) USER MOD Set 4.2: A 72 LYS NZ :NH3+ -158:sc= -0.0258! (180deg=-1.58!) USER MOD Single : A 1 MET CE :methyl -158:sc= -0.199 (180deg=-0.841) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.0248 (180deg=-0.129) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 1.31 K(o=1.3,f=-0.09) USER MOD Single : A 7 LYS NZ :NH3+ 156:sc= 1.54 (180deg=1.06) USER MOD Single : A 11 SER OG : rot 82:sc= 1.09 USER MOD Single : A 16 SER OG : rot 92:sc= 1.27 USER MOD Single : A 17 TYR OH : rot 150:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0383) USER MOD Single : A 21 SER OG : rot 180:sc=-0.00686 USER MOD Single : A 23 LYS NZ :NH3+ -155:sc= 1.24 (180deg=0.407) USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.56! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc=-0.00525 X(o=-0.0053,f=-0.11) USER MOD Single : A 41 THR OG1 : rot 11:sc= 0.943 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -142:sc= -0.108 (180deg=-0.617) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0.331 X(o=0.33,f=-0.069) USER MOD Single : A 62 ASN : amide:sc= -0.2 K(o=-0.2,f=-1.3) USER MOD Single : A 64 ASN : amide:sc= 0.832 K(o=0.83,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= -0.0237 (180deg=-0.275) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.322 K(o=-0.32,f=-7.1!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 44:sc= 0.0656 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.74) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 94 HIS : no HE2:sc= 0.537 K(o=0.54,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.136 5.613 10.906 1.00 0.00 N ATOM 2 CA MET A 1 17.698 6.980 10.538 1.00 0.00 C ATOM 3 C MET A 1 16.690 6.931 9.393 1.00 0.00 C ATOM 4 O MET A 1 17.002 6.471 8.295 1.00 0.00 O ATOM 5 CB MET A 1 18.906 7.849 10.159 1.00 0.00 C ATOM 6 CG MET A 1 19.770 7.269 9.049 1.00 0.00 C ATOM 7 SD MET A 1 21.173 8.328 8.630 1.00 0.00 S ATOM 8 CE MET A 1 20.322 9.814 8.108 1.00 0.00 C ATOM 0 H1 MET A 1 18.918 5.671 11.589 1.00 0.00 H new ATOM 0 H2 MET A 1 17.341 5.097 11.333 1.00 0.00 H new ATOM 0 H3 MET A 1 18.458 5.110 10.054 1.00 0.00 H new ATOM 0 HA MET A 1 17.211 7.429 11.403 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.549 8.832 9.850 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.524 7.998 11.044 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.138 6.290 9.355 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.158 7.116 8.160 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.978 10.403 7.468 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.423 9.543 7.554 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.046 10.402 8.983 1.00 0.00 H new ATOM 20 N VAL A 2 15.474 7.387 9.652 1.00 0.00 N ATOM 21 CA VAL A 2 14.442 7.384 8.629 1.00 0.00 C ATOM 22 C VAL A 2 14.461 8.695 7.841 1.00 0.00 C ATOM 23 O VAL A 2 14.092 9.757 8.346 1.00 0.00 O ATOM 24 CB VAL A 2 13.036 7.112 9.226 1.00 0.00 C ATOM 25 CG1 VAL A 2 12.701 8.094 10.336 1.00 0.00 C ATOM 26 CG2 VAL A 2 11.974 7.148 8.136 1.00 0.00 C ATOM 0 H VAL A 2 15.180 7.761 10.554 1.00 0.00 H new ATOM 0 HA VAL A 2 14.662 6.566 7.943 1.00 0.00 H new ATOM 0 HB VAL A 2 13.050 6.114 9.663 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.709 7.873 10.730 1.00 0.00 H new ATOM 0 HG12 VAL A 2 13.437 8.005 11.135 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.716 9.109 9.940 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.995 6.955 8.575 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.972 8.130 7.662 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.193 6.385 7.389 1.00 0.00 H new ATOM 36 N LYS A 3 14.944 8.622 6.609 1.00 0.00 N ATOM 37 CA LYS A 3 15.011 9.798 5.750 1.00 0.00 C ATOM 38 C LYS A 3 13.711 9.966 4.972 1.00 0.00 C ATOM 39 O LYS A 3 13.310 11.084 4.643 1.00 0.00 O ATOM 40 CB LYS A 3 16.201 9.703 4.784 1.00 0.00 C ATOM 41 CG LYS A 3 16.123 8.530 3.821 1.00 0.00 C ATOM 42 CD LYS A 3 17.228 8.583 2.782 1.00 0.00 C ATOM 43 CE LYS A 3 17.007 7.540 1.704 1.00 0.00 C ATOM 44 NZ LYS A 3 18.034 7.616 0.631 1.00 0.00 N ATOM 0 H LYS A 3 15.294 7.765 6.182 1.00 0.00 H new ATOM 0 HA LYS A 3 15.154 10.673 6.385 1.00 0.00 H new ATOM 0 HB2 LYS A 3 16.265 10.627 4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 3 17.121 9.624 5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 3 16.192 7.596 4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 3 15.154 8.532 3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 3 17.262 9.575 2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 3 18.192 8.417 3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 3 17.025 6.547 2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 3 16.017 7.675 1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 17.844 6.885 -0.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 18.000 8.555 0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 18.977 7.462 1.041 1.00 0.00 H new ATOM 58 N ASP A 4 13.055 8.849 4.689 1.00 0.00 N ATOM 59 CA ASP A 4 11.800 8.864 3.952 1.00 0.00 C ATOM 60 C ASP A 4 10.700 8.214 4.770 1.00 0.00 C ATOM 61 O ASP A 4 10.590 6.987 4.817 1.00 0.00 O ATOM 62 CB ASP A 4 11.932 8.137 2.616 1.00 0.00 C ATOM 63 CG ASP A 4 12.804 8.867 1.617 1.00 0.00 C ATOM 64 OD1 ASP A 4 12.318 9.835 0.992 1.00 0.00 O ATOM 65 OD2 ASP A 4 13.964 8.450 1.425 1.00 0.00 O ATOM 0 H ASP A 4 13.373 7.918 4.960 1.00 0.00 H new ATOM 0 HA ASP A 4 11.545 9.906 3.758 1.00 0.00 H new ATOM 0 HB2 ASP A 4 12.346 7.144 2.791 1.00 0.00 H new ATOM 0 HB3 ASP A 4 10.940 7.998 2.187 1.00 0.00 H new ATOM 70 N LYS A 5 9.895 9.037 5.416 1.00 0.00 N ATOM 71 CA LYS A 5 8.807 8.552 6.248 1.00 0.00 C ATOM 72 C LYS A 5 7.733 7.899 5.390 1.00 0.00 C ATOM 73 O LYS A 5 7.327 6.761 5.633 1.00 0.00 O ATOM 74 CB LYS A 5 8.199 9.709 7.042 1.00 0.00 C ATOM 75 CG LYS A 5 7.063 9.290 7.960 1.00 0.00 C ATOM 76 CD LYS A 5 6.349 10.494 8.555 1.00 0.00 C ATOM 77 CE LYS A 5 7.267 11.315 9.446 1.00 0.00 C ATOM 78 NZ LYS A 5 6.555 12.461 10.060 1.00 0.00 N ATOM 0 H LYS A 5 9.975 10.053 5.380 1.00 0.00 H new ATOM 0 HA LYS A 5 9.205 7.810 6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.981 10.179 7.638 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.832 10.463 6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.350 8.682 7.403 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.455 8.666 8.763 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.966 11.123 7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.489 10.157 9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.677 10.679 10.230 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.110 11.682 8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.213 12.997 10.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.185 13.081 9.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.766 12.109 10.639 1.00 0.00 H new ATOM 92 N GLN A 6 7.304 8.619 4.364 1.00 0.00 N ATOM 93 CA GLN A 6 6.210 8.172 3.516 1.00 0.00 C ATOM 94 C GLN A 6 6.608 6.932 2.721 1.00 0.00 C ATOM 95 O GLN A 6 5.774 6.071 2.444 1.00 0.00 O ATOM 96 CB GLN A 6 5.784 9.302 2.574 1.00 0.00 C ATOM 97 CG GLN A 6 4.585 8.967 1.697 1.00 0.00 C ATOM 98 CD GLN A 6 3.347 8.595 2.494 1.00 0.00 C ATOM 99 OE1 GLN A 6 2.555 9.454 2.877 1.00 0.00 O ATOM 100 NE2 GLN A 6 3.168 7.306 2.738 1.00 0.00 N ATOM 0 H GLN A 6 7.700 9.521 4.098 1.00 0.00 H new ATOM 0 HA GLN A 6 5.366 7.905 4.152 1.00 0.00 H new ATOM 0 HB2 GLN A 6 5.550 10.186 3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.627 9.563 1.933 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.357 9.823 1.062 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.846 8.140 1.036 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.849 6.624 2.403 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.349 6.995 3.261 1.00 0.00 H new ATOM 109 N LYS A 7 7.886 6.834 2.376 1.00 0.00 N ATOM 110 CA LYS A 7 8.377 5.702 1.601 1.00 0.00 C ATOM 111 C LYS A 7 8.389 4.435 2.447 1.00 0.00 C ATOM 112 O LYS A 7 8.022 3.362 1.973 1.00 0.00 O ATOM 113 CB LYS A 7 9.774 5.994 1.051 1.00 0.00 C ATOM 114 CG LYS A 7 10.303 4.924 0.105 1.00 0.00 C ATOM 115 CD LYS A 7 11.497 5.425 -0.695 1.00 0.00 C ATOM 116 CE LYS A 7 12.681 5.750 0.198 1.00 0.00 C ATOM 117 NZ LYS A 7 13.779 6.418 -0.552 1.00 0.00 N ATOM 0 H LYS A 7 8.599 7.522 2.620 1.00 0.00 H new ATOM 0 HA LYS A 7 7.702 5.545 0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.755 6.950 0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.467 6.101 1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.592 4.042 0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.510 4.616 -0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.789 4.669 -1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.211 6.315 -1.256 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.354 6.396 1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.057 4.832 0.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.361 6.974 0.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.371 5.699 -1.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.374 7.049 -1.273 1.00 0.00 H new ATOM 131 N ALA A 8 8.792 4.571 3.705 1.00 0.00 N ATOM 132 CA ALA A 8 8.807 3.443 4.632 1.00 0.00 C ATOM 133 C ALA A 8 7.393 2.931 4.885 1.00 0.00 C ATOM 134 O ALA A 8 7.167 1.725 4.973 1.00 0.00 O ATOM 135 CB ALA A 8 9.480 3.839 5.940 1.00 0.00 C ATOM 0 H ALA A 8 9.113 5.451 4.108 1.00 0.00 H new ATOM 0 HA ALA A 8 9.382 2.635 4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.483 2.987 6.620 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.506 4.149 5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.933 4.665 6.395 1.00 0.00 H new ATOM 141 N ILE A 9 6.445 3.853 4.987 1.00 0.00 N ATOM 142 CA ILE A 9 5.045 3.485 5.159 1.00 0.00 C ATOM 143 C ILE A 9 4.514 2.823 3.890 1.00 0.00 C ATOM 144 O ILE A 9 3.922 1.746 3.943 1.00 0.00 O ATOM 145 CB ILE A 9 4.172 4.713 5.504 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.670 5.371 6.793 1.00 0.00 C ATOM 147 CG2 ILE A 9 2.707 4.317 5.641 1.00 0.00 C ATOM 148 CD1 ILE A 9 3.926 6.641 7.159 1.00 0.00 C ATOM 0 H ILE A 9 6.618 4.858 4.954 1.00 0.00 H new ATOM 0 HA ILE A 9 4.990 2.783 5.991 1.00 0.00 H new ATOM 0 HB ILE A 9 4.254 5.431 4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.578 4.658 7.613 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.730 5.600 6.687 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.113 5.198 5.884 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.356 3.891 4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.603 3.579 6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.335 7.049 8.083 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.039 7.372 6.358 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.869 6.416 7.299 1.00 0.00 H new ATOM 160 N PHE A 10 4.752 3.471 2.751 1.00 0.00 N ATOM 161 CA PHE A 10 4.313 2.963 1.452 1.00 0.00 C ATOM 162 C PHE A 10 4.859 1.560 1.203 1.00 0.00 C ATOM 163 O PHE A 10 4.120 0.650 0.819 1.00 0.00 O ATOM 164 CB PHE A 10 4.767 3.918 0.336 1.00 0.00 C ATOM 165 CG PHE A 10 4.371 3.485 -1.048 1.00 0.00 C ATOM 166 CD1 PHE A 10 3.118 3.792 -1.553 1.00 0.00 C ATOM 167 CD2 PHE A 10 5.256 2.777 -1.844 1.00 0.00 C ATOM 168 CE1 PHE A 10 2.755 3.399 -2.828 1.00 0.00 C ATOM 169 CE2 PHE A 10 4.900 2.381 -3.118 1.00 0.00 C ATOM 170 CZ PHE A 10 3.647 2.692 -3.611 1.00 0.00 C ATOM 0 H PHE A 10 5.252 4.359 2.702 1.00 0.00 H new ATOM 0 HA PHE A 10 3.224 2.907 1.453 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.350 4.907 0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.852 4.016 0.377 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.417 4.344 -0.944 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.237 2.532 -1.464 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.776 3.644 -3.211 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.600 1.829 -3.728 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.366 2.383 -4.607 1.00 0.00 H new ATOM 180 N SER A 11 6.151 1.391 1.451 1.00 0.00 N ATOM 181 CA SER A 11 6.816 0.122 1.220 1.00 0.00 C ATOM 182 C SER A 11 6.217 -0.967 2.100 1.00 0.00 C ATOM 183 O SER A 11 5.861 -2.038 1.608 1.00 0.00 O ATOM 184 CB SER A 11 8.315 0.254 1.491 1.00 0.00 C ATOM 185 OG SER A 11 8.997 -0.948 1.190 1.00 0.00 O ATOM 0 H SER A 11 6.760 2.124 1.814 1.00 0.00 H new ATOM 0 HA SER A 11 6.669 -0.158 0.177 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.725 1.068 0.893 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.477 0.515 2.537 1.00 0.00 H new ATOM 0 HG SER A 11 9.166 -0.996 0.226 1.00 0.00 H new ATOM 191 N GLU A 12 6.084 -0.689 3.397 1.00 0.00 N ATOM 192 CA GLU A 12 5.562 -1.687 4.324 1.00 0.00 C ATOM 193 C GLU A 12 4.108 -2.020 4.002 1.00 0.00 C ATOM 194 O GLU A 12 3.705 -3.180 4.080 1.00 0.00 O ATOM 195 CB GLU A 12 5.688 -1.231 5.779 1.00 0.00 C ATOM 196 CG GLU A 12 5.487 -2.370 6.771 1.00 0.00 C ATOM 197 CD GLU A 12 5.672 -1.949 8.215 1.00 0.00 C ATOM 198 OE1 GLU A 12 6.310 -0.906 8.464 1.00 0.00 O ATOM 199 OE2 GLU A 12 5.184 -2.668 9.113 1.00 0.00 O ATOM 0 H GLU A 12 6.327 0.206 3.823 1.00 0.00 H new ATOM 0 HA GLU A 12 6.165 -2.586 4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.673 -0.790 5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.954 -0.450 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.485 -2.779 6.645 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.190 -3.171 6.541 1.00 0.00 H new ATOM 206 N ASN A 13 3.330 -1.010 3.625 1.00 0.00 N ATOM 207 CA ASN A 13 1.932 -1.220 3.240 1.00 0.00 C ATOM 208 C ASN A 13 1.836 -2.200 2.078 1.00 0.00 C ATOM 209 O ASN A 13 1.123 -3.201 2.154 1.00 0.00 O ATOM 210 CB ASN A 13 1.268 0.105 2.839 1.00 0.00 C ATOM 211 CG ASN A 13 0.750 0.905 4.020 1.00 0.00 C ATOM 212 OD1 ASN A 13 0.341 0.350 5.040 1.00 0.00 O ATOM 213 ND2 ASN A 13 0.744 2.222 3.880 1.00 0.00 N ATOM 0 H ASN A 13 3.640 -0.039 3.577 1.00 0.00 H new ATOM 0 HA ASN A 13 1.411 -1.632 4.104 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.988 0.710 2.288 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.441 -0.103 2.161 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.392 2.813 4.633 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.091 2.645 3.019 1.00 0.00 H new ATOM 220 N LEU A 14 2.575 -1.914 1.015 1.00 0.00 N ATOM 221 CA LEU A 14 2.569 -2.753 -0.176 1.00 0.00 C ATOM 222 C LEU A 14 3.125 -4.139 0.133 1.00 0.00 C ATOM 223 O LEU A 14 2.518 -5.154 -0.211 1.00 0.00 O ATOM 224 CB LEU A 14 3.399 -2.093 -1.285 1.00 0.00 C ATOM 225 CG LEU A 14 3.533 -2.904 -2.579 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.178 -3.079 -3.248 1.00 0.00 C ATOM 227 CD2 LEU A 14 4.514 -2.231 -3.527 1.00 0.00 C ATOM 0 H LEU A 14 3.190 -1.102 0.953 1.00 0.00 H new ATOM 0 HA LEU A 14 1.538 -2.863 -0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.951 -1.129 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.398 -1.892 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 14 3.917 -3.892 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.297 -3.657 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.504 -3.605 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.762 -2.101 -3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.598 -2.819 -4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.156 -1.231 -3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.491 -2.161 -3.050 1.00 0.00 H new ATOM 239 N ASN A 15 4.269 -4.169 0.804 1.00 0.00 N ATOM 240 CA ASN A 15 4.980 -5.416 1.066 1.00 0.00 C ATOM 241 C ASN A 15 4.154 -6.353 1.950 1.00 0.00 C ATOM 242 O ASN A 15 4.207 -7.573 1.785 1.00 0.00 O ATOM 243 CB ASN A 15 6.333 -5.122 1.717 1.00 0.00 C ATOM 244 CG ASN A 15 7.303 -6.283 1.625 1.00 0.00 C ATOM 245 OD1 ASN A 15 7.222 -7.112 0.718 1.00 0.00 O ATOM 246 ND2 ASN A 15 8.252 -6.326 2.544 1.00 0.00 N ATOM 0 H ASN A 15 4.728 -3.339 1.179 1.00 0.00 H new ATOM 0 HA ASN A 15 5.145 -5.919 0.113 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.776 -4.248 1.240 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.177 -4.869 2.766 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.953 -7.066 2.518 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.283 -5.619 3.279 1.00 0.00 H new ATOM 253 N SER A 16 3.378 -5.783 2.869 1.00 0.00 N ATOM 254 CA SER A 16 2.517 -6.579 3.739 1.00 0.00 C ATOM 255 C SER A 16 1.436 -7.296 2.933 1.00 0.00 C ATOM 256 O SER A 16 1.120 -8.454 3.200 1.00 0.00 O ATOM 257 CB SER A 16 1.874 -5.696 4.809 1.00 0.00 C ATOM 258 OG SER A 16 2.861 -5.107 5.640 1.00 0.00 O ATOM 0 H SER A 16 3.328 -4.777 3.030 1.00 0.00 H new ATOM 0 HA SER A 16 3.137 -7.331 4.227 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.280 -4.915 4.333 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.191 -6.291 5.415 1.00 0.00 H new ATOM 0 HG SER A 16 3.115 -4.233 5.277 1.00 0.00 H new ATOM 264 N TYR A 17 0.884 -6.614 1.934 1.00 0.00 N ATOM 265 CA TYR A 17 -0.150 -7.207 1.095 1.00 0.00 C ATOM 266 C TYR A 17 0.439 -8.318 0.237 1.00 0.00 C ATOM 267 O TYR A 17 -0.208 -9.334 -0.002 1.00 0.00 O ATOM 268 CB TYR A 17 -0.816 -6.149 0.210 1.00 0.00 C ATOM 269 CG TYR A 17 -1.555 -5.080 0.985 1.00 0.00 C ATOM 270 CD1 TYR A 17 -2.263 -5.393 2.138 1.00 0.00 C ATOM 271 CD2 TYR A 17 -1.536 -3.758 0.565 1.00 0.00 C ATOM 272 CE1 TYR A 17 -2.937 -4.418 2.847 1.00 0.00 C ATOM 273 CE2 TYR A 17 -2.207 -2.777 1.270 1.00 0.00 C ATOM 274 CZ TYR A 17 -2.902 -3.113 2.411 1.00 0.00 C ATOM 275 OH TYR A 17 -3.570 -2.139 3.114 1.00 0.00 O ATOM 0 H TYR A 17 1.134 -5.656 1.687 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.913 -7.631 1.748 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.054 -5.675 -0.409 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.514 -6.642 -0.466 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.287 -6.415 2.486 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.988 -3.491 -0.327 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.488 -4.678 3.738 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.187 -1.753 0.928 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.107 -1.282 3.006 1.00 0.00 H new ATOM 285 N ILE A 18 1.676 -8.127 -0.203 1.00 0.00 N ATOM 286 CA ILE A 18 2.376 -9.135 -0.991 1.00 0.00 C ATOM 287 C ILE A 18 2.635 -10.384 -0.151 1.00 0.00 C ATOM 288 O ILE A 18 2.403 -11.508 -0.595 1.00 0.00 O ATOM 289 CB ILE A 18 3.719 -8.595 -1.529 1.00 0.00 C ATOM 290 CG1 ILE A 18 3.494 -7.309 -2.327 1.00 0.00 C ATOM 291 CG2 ILE A 18 4.414 -9.642 -2.392 1.00 0.00 C ATOM 292 CD1 ILE A 18 4.777 -6.636 -2.766 1.00 0.00 C ATOM 0 H ILE A 18 2.217 -7.281 -0.027 1.00 0.00 H new ATOM 0 HA ILE A 18 1.738 -9.389 -1.837 1.00 0.00 H new ATOM 0 HB ILE A 18 4.364 -8.370 -0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.894 -7.538 -3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.917 -6.611 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.358 -9.241 -2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.607 -10.535 -1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.775 -9.900 -3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.540 -5.731 -3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.370 -6.375 -1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.346 -7.316 -3.399 1.00 0.00 H new ATOM 304 N ALA A 19 3.103 -10.175 1.077 1.00 0.00 N ATOM 305 CA ALA A 19 3.398 -11.275 1.988 1.00 0.00 C ATOM 306 C ALA A 19 2.121 -11.981 2.436 1.00 0.00 C ATOM 307 O ALA A 19 2.123 -13.189 2.686 1.00 0.00 O ATOM 308 CB ALA A 19 4.174 -10.768 3.194 1.00 0.00 C ATOM 0 H ALA A 19 3.286 -9.249 1.464 1.00 0.00 H new ATOM 0 HA ALA A 19 4.011 -12.000 1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.387 -11.600 3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.111 -10.320 2.862 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.581 -10.020 3.720 1.00 0.00 H new ATOM 314 N LYS A 20 1.036 -11.223 2.535 1.00 0.00 N ATOM 315 CA LYS A 20 -0.253 -11.774 2.941 1.00 0.00 C ATOM 316 C LYS A 20 -0.886 -12.544 1.788 1.00 0.00 C ATOM 317 O LYS A 20 -1.571 -13.549 1.991 1.00 0.00 O ATOM 318 CB LYS A 20 -1.179 -10.645 3.404 1.00 0.00 C ATOM 319 CG LYS A 20 -2.434 -11.125 4.116 1.00 0.00 C ATOM 320 CD LYS A 20 -3.126 -9.994 4.868 1.00 0.00 C ATOM 321 CE LYS A 20 -3.627 -8.896 3.937 1.00 0.00 C ATOM 322 NZ LYS A 20 -4.722 -9.365 3.047 1.00 0.00 N ATOM 0 H LYS A 20 1.022 -10.222 2.339 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.098 -12.464 3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.625 -9.986 4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.470 -10.050 2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.124 -11.553 3.388 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.174 -11.920 4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.966 -10.398 5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.432 -9.565 5.591 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.981 -8.053 4.531 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.799 -8.533 3.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.109 -8.558 2.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.349 -10.070 2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.475 -9.796 3.620 1.00 0.00 H new ATOM 336 N SER A 21 -0.644 -12.059 0.580 1.00 0.00 N ATOM 337 CA SER A 21 -1.114 -12.716 -0.633 1.00 0.00 C ATOM 338 C SER A 21 -0.310 -13.994 -0.894 1.00 0.00 C ATOM 339 O SER A 21 0.745 -14.205 -0.294 1.00 0.00 O ATOM 340 CB SER A 21 -0.991 -11.758 -1.826 1.00 0.00 C ATOM 341 OG SER A 21 -1.571 -12.301 -3.001 1.00 0.00 O ATOM 0 H SER A 21 -0.118 -11.202 0.411 1.00 0.00 H new ATOM 0 HA SER A 21 -2.161 -12.988 -0.503 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.477 -10.813 -1.584 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.061 -11.538 -2.008 1.00 0.00 H new ATOM 0 HG SER A 21 -1.475 -11.663 -3.738 1.00 0.00 H new ATOM 347 N GLU A 22 -0.816 -14.847 -1.771 1.00 0.00 N ATOM 348 CA GLU A 22 -0.124 -16.082 -2.117 1.00 0.00 C ATOM 349 C GLU A 22 0.947 -15.812 -3.168 1.00 0.00 C ATOM 350 O GLU A 22 1.991 -16.466 -3.198 1.00 0.00 O ATOM 351 CB GLU A 22 -1.112 -17.119 -2.656 1.00 0.00 C ATOM 352 CG GLU A 22 -0.454 -18.430 -3.059 1.00 0.00 C ATOM 353 CD GLU A 22 -1.375 -19.321 -3.861 1.00 0.00 C ATOM 354 OE1 GLU A 22 -2.126 -20.113 -3.253 1.00 0.00 O ATOM 355 OE2 GLU A 22 -1.354 -19.233 -5.109 1.00 0.00 O ATOM 0 H GLU A 22 -1.702 -14.708 -2.257 1.00 0.00 H new ATOM 0 HA GLU A 22 0.345 -16.472 -1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.867 -17.319 -1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.631 -16.701 -3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.441 -18.218 -3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.131 -18.960 -2.163 1.00 0.00 H new ATOM 362 N LYS A 23 0.683 -14.833 -4.023 1.00 0.00 N ATOM 363 CA LYS A 23 1.550 -14.550 -5.156 1.00 0.00 C ATOM 364 C LYS A 23 2.879 -13.951 -4.703 1.00 0.00 C ATOM 365 O LYS A 23 2.948 -13.256 -3.688 1.00 0.00 O ATOM 366 CB LYS A 23 0.840 -13.620 -6.142 1.00 0.00 C ATOM 367 CG LYS A 23 0.793 -14.157 -7.572 1.00 0.00 C ATOM 368 CD LYS A 23 -0.242 -15.271 -7.766 1.00 0.00 C ATOM 369 CE LYS A 23 0.108 -16.541 -6.999 1.00 0.00 C ATOM 370 NZ LYS A 23 -0.818 -17.658 -7.320 1.00 0.00 N ATOM 0 H LYS A 23 -0.129 -14.220 -3.952 1.00 0.00 H new ATOM 0 HA LYS A 23 1.771 -15.491 -5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.179 -13.447 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.344 -12.654 -6.143 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.567 -13.337 -8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.779 -14.535 -7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.219 -14.914 -7.442 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.324 -15.504 -8.828 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.130 -16.838 -7.236 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.075 -16.339 -5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.840 -18.330 -6.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.774 -17.281 -7.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.489 -18.146 -8.177 1.00 0.00 H new ATOM 384 N THR A 24 3.933 -14.241 -5.453 1.00 0.00 N ATOM 385 CA THR A 24 5.266 -13.789 -5.095 1.00 0.00 C ATOM 386 C THR A 24 5.562 -12.420 -5.688 1.00 0.00 C ATOM 387 O THR A 24 4.849 -11.942 -6.575 1.00 0.00 O ATOM 388 CB THR A 24 6.341 -14.783 -5.578 1.00 0.00 C ATOM 389 OG1 THR A 24 6.362 -14.812 -7.011 1.00 0.00 O ATOM 390 CG2 THR A 24 6.076 -16.183 -5.036 1.00 0.00 C ATOM 0 H THR A 24 3.889 -14.788 -6.313 1.00 0.00 H new ATOM 0 HA THR A 24 5.296 -13.725 -4.007 1.00 0.00 H new ATOM 0 HB THR A 24 7.309 -14.451 -5.204 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.047 -15.443 -7.315 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.849 -16.864 -5.392 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.087 -16.159 -3.946 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.102 -16.528 -5.381 1.00 0.00 H new ATOM 398 N GLN A 25 6.622 -11.801 -5.188 1.00 0.00 N ATOM 399 CA GLN A 25 7.120 -10.540 -5.722 1.00 0.00 C ATOM 400 C GLN A 25 7.352 -10.653 -7.224 1.00 0.00 C ATOM 401 O GLN A 25 7.035 -9.747 -7.995 1.00 0.00 O ATOM 402 CB GLN A 25 8.438 -10.187 -5.038 1.00 0.00 C ATOM 403 CG GLN A 25 8.336 -10.090 -3.527 1.00 0.00 C ATOM 404 CD GLN A 25 9.696 -10.095 -2.865 1.00 0.00 C ATOM 405 OE1 GLN A 25 10.231 -11.153 -2.539 1.00 0.00 O ATOM 406 NE2 GLN A 25 10.270 -8.924 -2.668 1.00 0.00 N ATOM 0 H GLN A 25 7.162 -12.159 -4.400 1.00 0.00 H new ATOM 0 HA GLN A 25 6.380 -9.762 -5.534 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.183 -10.940 -5.295 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.797 -9.236 -5.431 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.805 -9.177 -3.258 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.746 -10.925 -3.149 1.00 0.00 H new ATOM 0 HE21 GLN A 25 9.794 -8.068 -2.953 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.190 -8.874 -2.231 1.00 0.00 H new ATOM 415 N LEU A 26 7.890 -11.796 -7.619 1.00 0.00 N ATOM 416 CA LEU A 26 8.241 -12.053 -9.010 1.00 0.00 C ATOM 417 C LEU A 26 6.986 -12.170 -9.872 1.00 0.00 C ATOM 418 O LEU A 26 6.930 -11.622 -10.973 1.00 0.00 O ATOM 419 CB LEU A 26 9.074 -13.332 -9.112 1.00 0.00 C ATOM 420 CG LEU A 26 10.373 -13.198 -9.910 1.00 0.00 C ATOM 421 CD1 LEU A 26 11.144 -14.508 -9.899 1.00 0.00 C ATOM 422 CD2 LEU A 26 10.089 -12.766 -11.338 1.00 0.00 C ATOM 0 H LEU A 26 8.096 -12.571 -6.988 1.00 0.00 H new ATOM 0 HA LEU A 26 8.831 -11.214 -9.378 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.318 -13.670 -8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.463 -14.110 -9.570 1.00 0.00 H new ATOM 0 HG LEU A 26 10.983 -12.430 -9.435 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.064 -14.393 -10.471 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.387 -14.779 -8.871 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.534 -15.293 -10.346 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.028 -12.678 -11.885 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.455 -13.508 -11.823 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.580 -11.802 -11.332 1.00 0.00 H new ATOM 434 N GLU A 27 5.981 -12.877 -9.356 1.00 0.00 N ATOM 435 CA GLU A 27 4.721 -13.055 -10.061 1.00 0.00 C ATOM 436 C GLU A 27 4.074 -11.713 -10.380 1.00 0.00 C ATOM 437 O GLU A 27 3.575 -11.502 -11.486 1.00 0.00 O ATOM 438 CB GLU A 27 3.763 -13.889 -9.218 1.00 0.00 C ATOM 439 CG GLU A 27 4.154 -15.352 -9.095 1.00 0.00 C ATOM 440 CD GLU A 27 4.255 -16.038 -10.438 1.00 0.00 C ATOM 441 OE1 GLU A 27 3.214 -16.206 -11.105 1.00 0.00 O ATOM 442 OE2 GLU A 27 5.376 -16.419 -10.826 1.00 0.00 O ATOM 0 H GLU A 27 6.020 -13.337 -8.446 1.00 0.00 H new ATOM 0 HA GLU A 27 4.932 -13.571 -10.998 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.703 -13.455 -8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.765 -13.826 -9.653 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.111 -15.427 -8.579 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.419 -15.871 -8.480 1.00 0.00 H new ATOM 449 N ILE A 28 4.083 -10.816 -9.403 1.00 0.00 N ATOM 450 CA ILE A 28 3.494 -9.495 -9.569 1.00 0.00 C ATOM 451 C ILE A 28 4.269 -8.685 -10.602 1.00 0.00 C ATOM 452 O ILE A 28 3.675 -8.067 -11.486 1.00 0.00 O ATOM 453 CB ILE A 28 3.454 -8.725 -8.228 1.00 0.00 C ATOM 454 CG1 ILE A 28 2.724 -9.554 -7.164 1.00 0.00 C ATOM 455 CG2 ILE A 28 2.774 -7.375 -8.413 1.00 0.00 C ATOM 456 CD1 ILE A 28 2.753 -8.932 -5.786 1.00 0.00 C ATOM 0 H ILE A 28 4.494 -10.981 -8.484 1.00 0.00 H new ATOM 0 HA ILE A 28 2.471 -9.635 -9.919 1.00 0.00 H new ATOM 0 HB ILE A 28 4.476 -8.552 -7.892 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.687 -9.690 -7.470 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.175 -10.545 -7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.753 -6.845 -7.461 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.327 -6.786 -9.145 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.754 -7.527 -8.766 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.218 -9.573 -5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.787 -8.821 -5.459 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.276 -7.953 -5.819 1.00 0.00 H new ATOM 468 N ALA A 29 5.596 -8.720 -10.504 1.00 0.00 N ATOM 469 CA ALA A 29 6.457 -7.986 -11.426 1.00 0.00 C ATOM 470 C ALA A 29 6.196 -8.406 -12.871 1.00 0.00 C ATOM 471 O ALA A 29 6.135 -7.563 -13.773 1.00 0.00 O ATOM 472 CB ALA A 29 7.921 -8.196 -11.064 1.00 0.00 C ATOM 0 H ALA A 29 6.099 -9.251 -9.793 1.00 0.00 H new ATOM 0 HA ALA A 29 6.224 -6.925 -11.337 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.551 -7.643 -11.760 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.100 -7.839 -10.050 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.162 -9.258 -11.122 1.00 0.00 H new ATOM 478 N LYS A 30 6.024 -9.709 -13.073 1.00 0.00 N ATOM 479 CA LYS A 30 5.727 -10.261 -14.392 1.00 0.00 C ATOM 480 C LYS A 30 4.452 -9.656 -14.976 1.00 0.00 C ATOM 481 O LYS A 30 4.412 -9.268 -16.144 1.00 0.00 O ATOM 482 CB LYS A 30 5.573 -11.779 -14.297 1.00 0.00 C ATOM 483 CG LYS A 30 6.881 -12.533 -14.116 1.00 0.00 C ATOM 484 CD LYS A 30 7.670 -12.578 -15.414 1.00 0.00 C ATOM 485 CE LYS A 30 8.970 -13.346 -15.251 1.00 0.00 C ATOM 486 NZ LYS A 30 9.656 -13.556 -16.553 1.00 0.00 N ATOM 0 H LYS A 30 6.086 -10.408 -12.333 1.00 0.00 H new ATOM 0 HA LYS A 30 6.557 -10.013 -15.053 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.914 -12.013 -13.461 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.082 -12.139 -15.201 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.477 -12.052 -13.341 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.675 -13.548 -13.776 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.066 -13.045 -16.192 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.886 -11.562 -15.745 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.631 -12.802 -14.576 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.766 -14.312 -14.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.539 -14.084 -16.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.036 -14.097 -17.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.874 -12.635 -16.983 1.00 0.00 H new ATOM 500 N SER A 31 3.415 -9.575 -14.154 1.00 0.00 N ATOM 501 CA SER A 31 2.119 -9.096 -14.605 1.00 0.00 C ATOM 502 C SER A 31 2.108 -7.571 -14.775 1.00 0.00 C ATOM 503 O SER A 31 1.383 -7.037 -15.622 1.00 0.00 O ATOM 504 CB SER A 31 1.037 -9.532 -13.617 1.00 0.00 C ATOM 505 OG SER A 31 1.079 -10.938 -13.396 1.00 0.00 O ATOM 0 H SER A 31 3.448 -9.836 -13.169 1.00 0.00 H new ATOM 0 HA SER A 31 1.915 -9.534 -15.582 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.172 -9.008 -12.671 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.056 -9.250 -14.000 1.00 0.00 H new ATOM 0 HG SER A 31 1.845 -11.157 -12.826 1.00 0.00 H new ATOM 511 N ILE A 32 2.905 -6.874 -13.966 1.00 0.00 N ATOM 512 CA ILE A 32 3.003 -5.420 -14.062 1.00 0.00 C ATOM 513 C ILE A 32 3.770 -5.028 -15.317 1.00 0.00 C ATOM 514 O ILE A 32 3.358 -4.132 -16.061 1.00 0.00 O ATOM 515 CB ILE A 32 3.696 -4.803 -12.822 1.00 0.00 C ATOM 516 CG1 ILE A 32 2.909 -5.129 -11.545 1.00 0.00 C ATOM 517 CG2 ILE A 32 3.843 -3.293 -12.986 1.00 0.00 C ATOM 518 CD1 ILE A 32 1.503 -4.576 -11.532 1.00 0.00 C ATOM 0 H ILE A 32 3.489 -7.291 -13.241 1.00 0.00 H new ATOM 0 HA ILE A 32 1.986 -5.030 -14.110 1.00 0.00 H new ATOM 0 HB ILE A 32 4.691 -5.239 -12.734 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.864 -6.211 -11.425 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.451 -4.735 -10.686 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.332 -2.877 -12.105 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.445 -3.080 -13.870 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.857 -2.842 -13.101 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.013 -4.849 -10.597 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.538 -3.490 -11.619 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.942 -4.989 -12.370 1.00 0.00 H new ATOM 530 N GLY A 33 4.875 -5.715 -15.566 1.00 0.00 N ATOM 531 CA GLY A 33 5.684 -5.412 -16.727 1.00 0.00 C ATOM 532 C GLY A 33 7.009 -4.787 -16.351 1.00 0.00 C ATOM 533 O GLY A 33 7.664 -4.150 -17.178 1.00 0.00 O ATOM 0 H GLY A 33 5.225 -6.476 -14.985 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.863 -6.327 -17.292 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.137 -4.734 -17.382 1.00 0.00 H new ATOM 537 N VAL A 34 7.405 -4.972 -15.102 1.00 0.00 N ATOM 538 CA VAL A 34 8.655 -4.415 -14.604 1.00 0.00 C ATOM 539 C VAL A 34 9.617 -5.530 -14.221 1.00 0.00 C ATOM 540 O VAL A 34 9.205 -6.670 -13.991 1.00 0.00 O ATOM 541 CB VAL A 34 8.431 -3.492 -13.383 1.00 0.00 C ATOM 542 CG1 VAL A 34 7.623 -2.266 -13.782 1.00 0.00 C ATOM 543 CG2 VAL A 34 7.739 -4.240 -12.250 1.00 0.00 C ATOM 0 H VAL A 34 6.877 -5.506 -14.411 1.00 0.00 H new ATOM 0 HA VAL A 34 9.082 -3.818 -15.409 1.00 0.00 H new ATOM 0 HB VAL A 34 9.407 -3.165 -13.025 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.475 -1.628 -12.911 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.160 -1.711 -14.551 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.654 -2.579 -14.171 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.594 -3.567 -11.405 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.771 -4.605 -12.593 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.356 -5.084 -11.941 1.00 0.00 H new ATOM 553 N SER A 35 10.895 -5.204 -14.164 1.00 0.00 N ATOM 554 CA SER A 35 11.905 -6.176 -13.789 1.00 0.00 C ATOM 555 C SER A 35 11.871 -6.415 -12.279 1.00 0.00 C ATOM 556 O SER A 35 11.634 -5.486 -11.502 1.00 0.00 O ATOM 557 CB SER A 35 13.280 -5.668 -14.221 1.00 0.00 C ATOM 558 OG SER A 35 13.273 -5.313 -15.594 1.00 0.00 O ATOM 0 H SER A 35 11.258 -4.274 -14.373 1.00 0.00 H new ATOM 0 HA SER A 35 11.702 -7.123 -14.289 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.560 -4.804 -13.618 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.031 -6.438 -14.043 1.00 0.00 H new ATOM 0 HG SER A 35 14.161 -4.988 -15.852 1.00 0.00 H new ATOM 564 N PRO A 36 12.100 -7.666 -11.844 1.00 0.00 N ATOM 565 CA PRO A 36 12.077 -8.033 -10.423 1.00 0.00 C ATOM 566 C PRO A 36 13.079 -7.237 -9.588 1.00 0.00 C ATOM 567 O PRO A 36 12.850 -6.992 -8.407 1.00 0.00 O ATOM 568 CB PRO A 36 12.425 -9.526 -10.416 1.00 0.00 C ATOM 569 CG PRO A 36 12.995 -9.814 -11.764 1.00 0.00 C ATOM 570 CD PRO A 36 12.371 -8.828 -12.706 1.00 0.00 C ATOM 0 HA PRO A 36 11.108 -7.814 -9.973 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.144 -9.757 -9.630 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.540 -10.133 -10.227 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.080 -9.711 -11.757 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.773 -10.837 -12.069 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.043 -8.573 -13.526 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.457 -9.220 -13.153 1.00 0.00 H new ATOM 578 N GLN A 37 14.185 -6.825 -10.204 1.00 0.00 N ATOM 579 CA GLN A 37 15.180 -6.002 -9.517 1.00 0.00 C ATOM 580 C GLN A 37 14.602 -4.638 -9.152 1.00 0.00 C ATOM 581 O GLN A 37 14.913 -4.081 -8.100 1.00 0.00 O ATOM 582 CB GLN A 37 16.426 -5.827 -10.382 1.00 0.00 C ATOM 583 CG GLN A 37 17.212 -7.114 -10.559 1.00 0.00 C ATOM 584 CD GLN A 37 18.328 -6.993 -11.579 1.00 0.00 C ATOM 585 OE1 GLN A 37 18.923 -5.928 -11.751 1.00 0.00 O ATOM 586 NE2 GLN A 37 18.615 -8.088 -12.265 1.00 0.00 N ATOM 0 H GLN A 37 14.415 -7.046 -11.173 1.00 0.00 H new ATOM 0 HA GLN A 37 15.460 -6.516 -8.598 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.131 -5.450 -11.361 1.00 0.00 H new ATOM 0 HB3 GLN A 37 17.071 -5.073 -9.931 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.635 -7.409 -9.599 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.532 -7.909 -10.865 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.097 -8.949 -12.091 1.00 0.00 H new ATOM 0 HE22 GLN A 37 19.354 -8.070 -12.968 1.00 0.00 H new ATOM 595 N THR A 38 13.737 -4.119 -10.014 1.00 0.00 N ATOM 596 CA THR A 38 13.100 -2.835 -9.774 1.00 0.00 C ATOM 597 C THR A 38 12.008 -3.000 -8.727 1.00 0.00 C ATOM 598 O THR A 38 11.815 -2.148 -7.861 1.00 0.00 O ATOM 599 CB THR A 38 12.498 -2.266 -11.075 1.00 0.00 C ATOM 600 OG1 THR A 38 13.481 -2.323 -12.122 1.00 0.00 O ATOM 601 CG2 THR A 38 12.037 -0.828 -10.888 1.00 0.00 C ATOM 0 H THR A 38 13.462 -4.570 -10.886 1.00 0.00 H new ATOM 0 HA THR A 38 13.853 -2.134 -9.413 1.00 0.00 H new ATOM 0 HB THR A 38 11.631 -2.869 -11.343 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.099 -1.963 -12.950 1.00 0.00 H new ATOM 0 HG21 THR A 38 11.618 -0.456 -11.823 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.277 -0.788 -10.108 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.886 -0.208 -10.599 1.00 0.00 H new ATOM 609 N PHE A 39 11.315 -4.128 -8.797 1.00 0.00 N ATOM 610 CA PHE A 39 10.289 -4.458 -7.822 1.00 0.00 C ATOM 611 C PHE A 39 10.925 -4.641 -6.444 1.00 0.00 C ATOM 612 O PHE A 39 10.347 -4.273 -5.420 1.00 0.00 O ATOM 613 CB PHE A 39 9.565 -5.736 -8.252 1.00 0.00 C ATOM 614 CG PHE A 39 8.272 -5.979 -7.524 1.00 0.00 C ATOM 615 CD1 PHE A 39 8.255 -6.657 -6.316 1.00 0.00 C ATOM 616 CD2 PHE A 39 7.072 -5.527 -8.047 1.00 0.00 C ATOM 617 CE1 PHE A 39 7.068 -6.879 -5.646 1.00 0.00 C ATOM 618 CE2 PHE A 39 5.882 -5.745 -7.382 1.00 0.00 C ATOM 619 CZ PHE A 39 5.880 -6.422 -6.178 1.00 0.00 C ATOM 0 H PHE A 39 11.447 -4.832 -9.523 1.00 0.00 H new ATOM 0 HA PHE A 39 9.564 -3.646 -7.766 1.00 0.00 H new ATOM 0 HB2 PHE A 39 9.364 -5.685 -9.322 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.226 -6.588 -8.092 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.181 -7.016 -5.893 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.067 -4.997 -8.988 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.070 -7.410 -4.706 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.954 -5.387 -7.803 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.951 -6.593 -5.655 1.00 0.00 H new ATOM 629 N ASN A 40 12.131 -5.194 -6.438 1.00 0.00 N ATOM 630 CA ASN A 40 12.880 -5.420 -5.207 1.00 0.00 C ATOM 631 C ASN A 40 13.147 -4.113 -4.472 1.00 0.00 C ATOM 632 O ASN A 40 12.958 -4.031 -3.260 1.00 0.00 O ATOM 633 CB ASN A 40 14.198 -6.139 -5.511 1.00 0.00 C ATOM 634 CG ASN A 40 15.116 -6.229 -4.305 1.00 0.00 C ATOM 635 OD1 ASN A 40 14.973 -7.115 -3.465 1.00 0.00 O ATOM 636 ND2 ASN A 40 16.079 -5.322 -4.228 1.00 0.00 N ATOM 0 H ASN A 40 12.617 -5.498 -7.282 1.00 0.00 H new ATOM 0 HA ASN A 40 12.274 -6.051 -4.557 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.982 -7.144 -5.872 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.714 -5.615 -6.315 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.738 -5.342 -3.449 1.00 0.00 H new ATOM 0 HD22 ASN A 40 16.162 -4.604 -4.947 1.00 0.00 H new ATOM 643 N THR A 41 13.562 -3.081 -5.199 1.00 0.00 N ATOM 644 CA THR A 41 13.864 -1.796 -4.579 1.00 0.00 C ATOM 645 C THR A 41 12.619 -1.156 -3.966 1.00 0.00 C ATOM 646 O THR A 41 12.722 -0.317 -3.071 1.00 0.00 O ATOM 647 CB THR A 41 14.538 -0.816 -5.565 1.00 0.00 C ATOM 648 OG1 THR A 41 13.870 -0.824 -6.835 1.00 0.00 O ATOM 649 CG2 THR A 41 16.002 -1.175 -5.753 1.00 0.00 C ATOM 0 H THR A 41 13.696 -3.108 -6.210 1.00 0.00 H new ATOM 0 HA THR A 41 14.573 -2.004 -3.777 1.00 0.00 H new ATOM 0 HB THR A 41 14.467 0.186 -5.141 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.029 -1.322 -6.759 1.00 0.00 H new ATOM 0 HG21 THR A 41 16.462 -0.475 -6.451 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.516 -1.121 -4.793 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.080 -2.187 -6.150 1.00 0.00 H new ATOM 657 N TRP A 42 11.445 -1.558 -4.441 1.00 0.00 N ATOM 658 CA TRP A 42 10.192 -1.092 -3.857 1.00 0.00 C ATOM 659 C TRP A 42 9.934 -1.827 -2.545 1.00 0.00 C ATOM 660 O TRP A 42 9.555 -1.225 -1.539 1.00 0.00 O ATOM 661 CB TRP A 42 9.017 -1.326 -4.815 1.00 0.00 C ATOM 662 CG TRP A 42 9.179 -0.684 -6.165 1.00 0.00 C ATOM 663 CD1 TRP A 42 10.017 0.342 -6.497 1.00 0.00 C ATOM 664 CD2 TRP A 42 8.464 -1.022 -7.361 1.00 0.00 C ATOM 665 NE1 TRP A 42 9.874 0.654 -7.828 1.00 0.00 N ATOM 666 CE2 TRP A 42 8.925 -0.165 -8.379 1.00 0.00 C ATOM 667 CE3 TRP A 42 7.479 -1.965 -7.672 1.00 0.00 C ATOM 668 CZ2 TRP A 42 8.438 -0.226 -9.682 1.00 0.00 C ATOM 669 CZ3 TRP A 42 6.996 -2.024 -8.967 1.00 0.00 C ATOM 670 CH2 TRP A 42 7.473 -1.156 -9.958 1.00 0.00 C ATOM 0 H TRP A 42 11.335 -2.202 -5.224 1.00 0.00 H new ATOM 0 HA TRP A 42 10.278 -0.021 -3.672 1.00 0.00 H new ATOM 0 HB2 TRP A 42 8.883 -2.399 -4.950 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.106 -0.946 -4.353 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.693 0.836 -5.814 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.391 1.379 -8.325 1.00 0.00 H new ATOM 0 HE3 TRP A 42 7.102 -2.636 -6.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.809 0.438 -10.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.238 -2.751 -9.218 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.072 -1.222 -10.958 1.00 0.00 H new ATOM 681 N CYS A 43 10.163 -3.133 -2.569 1.00 0.00 N ATOM 682 CA CYS A 43 9.970 -3.988 -1.401 1.00 0.00 C ATOM 683 C CYS A 43 10.983 -3.668 -0.302 1.00 0.00 C ATOM 684 O CYS A 43 10.687 -3.793 0.883 1.00 0.00 O ATOM 685 CB CYS A 43 10.095 -5.456 -1.821 1.00 0.00 C ATOM 686 SG CYS A 43 9.972 -6.644 -0.465 1.00 0.00 S ATOM 0 H CYS A 43 10.488 -3.631 -3.398 1.00 0.00 H new ATOM 0 HA CYS A 43 8.974 -3.802 -0.998 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.317 -5.678 -2.552 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.053 -5.596 -2.322 1.00 0.00 H new ATOM 0 HG CYS A 43 8.720 -6.887 -0.213 1.00 0.00 H new ATOM 692 N LYS A 44 12.178 -3.254 -0.706 1.00 0.00 N ATOM 693 CA LYS A 44 13.228 -2.910 0.233 1.00 0.00 C ATOM 694 C LYS A 44 13.080 -1.472 0.729 1.00 0.00 C ATOM 695 O LYS A 44 13.883 -0.997 1.532 1.00 0.00 O ATOM 696 CB LYS A 44 14.588 -3.099 -0.435 1.00 0.00 C ATOM 697 CG LYS A 44 14.883 -4.539 -0.833 1.00 0.00 C ATOM 698 CD LYS A 44 14.743 -5.492 0.347 1.00 0.00 C ATOM 699 CE LYS A 44 15.037 -6.931 -0.059 1.00 0.00 C ATOM 700 NZ LYS A 44 14.798 -7.884 1.061 1.00 0.00 N ATOM 0 H LYS A 44 12.441 -3.149 -1.686 1.00 0.00 H new ATOM 0 HA LYS A 44 13.149 -3.569 1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.637 -2.469 -1.323 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.367 -2.753 0.244 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.203 -4.843 -1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.894 -4.605 -1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.425 -5.191 1.142 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.733 -5.426 0.751 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.410 -7.204 -0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.073 -7.011 -0.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.009 -8.852 0.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.414 -7.640 1.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.803 -7.827 1.359 1.00 0.00 H new ATOM 714 N GLY A 45 12.053 -0.785 0.240 1.00 0.00 N ATOM 715 CA GLY A 45 11.796 0.583 0.656 1.00 0.00 C ATOM 716 C GLY A 45 12.877 1.547 0.208 1.00 0.00 C ATOM 717 O GLY A 45 13.142 2.550 0.872 1.00 0.00 O ATOM 0 H GLY A 45 11.390 -1.154 -0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.837 0.907 0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.712 0.618 1.742 1.00 0.00 H new ATOM 721 N ILE A 46 13.494 1.251 -0.926 1.00 0.00 N ATOM 722 CA ILE A 46 14.576 2.072 -1.440 1.00 0.00 C ATOM 723 C ILE A 46 14.028 3.183 -2.331 1.00 0.00 C ATOM 724 O ILE A 46 14.448 4.338 -2.230 1.00 0.00 O ATOM 725 CB ILE A 46 15.600 1.229 -2.234 1.00 0.00 C ATOM 726 CG1 ILE A 46 16.187 0.133 -1.340 1.00 0.00 C ATOM 727 CG2 ILE A 46 16.708 2.114 -2.790 1.00 0.00 C ATOM 728 CD1 ILE A 46 17.148 -0.792 -2.061 1.00 0.00 C ATOM 0 H ILE A 46 13.262 0.446 -1.508 1.00 0.00 H new ATOM 0 HA ILE A 46 15.085 2.513 -0.583 1.00 0.00 H new ATOM 0 HB ILE A 46 15.087 0.759 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.705 0.599 -0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.372 -0.458 -0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.418 1.502 -3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 46 16.277 2.863 -3.455 1.00 0.00 H new ATOM 0 HG23 ILE A 46 17.223 2.612 -1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.523 -1.542 -1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 46 16.630 -1.287 -2.882 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.983 -0.213 -2.455 1.00 0.00 H new ATOM 740 N ALA A 47 13.069 2.842 -3.180 1.00 0.00 N ATOM 741 CA ALA A 47 12.513 3.806 -4.119 1.00 0.00 C ATOM 742 C ALA A 47 11.014 3.604 -4.294 1.00 0.00 C ATOM 743 O ALA A 47 10.500 2.505 -4.091 1.00 0.00 O ATOM 744 CB ALA A 47 13.221 3.700 -5.463 1.00 0.00 C ATOM 0 H ALA A 47 12.661 1.909 -3.238 1.00 0.00 H new ATOM 0 HA ALA A 47 12.672 4.804 -3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.796 4.426 -6.156 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.284 3.903 -5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.091 2.695 -5.865 1.00 0.00 H new ATOM 750 N ILE A 48 10.323 4.677 -4.659 1.00 0.00 N ATOM 751 CA ILE A 48 8.896 4.613 -4.951 1.00 0.00 C ATOM 752 C ILE A 48 8.674 4.775 -6.450 1.00 0.00 C ATOM 753 O ILE A 48 9.192 5.709 -7.059 1.00 0.00 O ATOM 754 CB ILE A 48 8.100 5.707 -4.195 1.00 0.00 C ATOM 755 CG1 ILE A 48 8.200 5.487 -2.688 1.00 0.00 C ATOM 756 CG2 ILE A 48 6.638 5.724 -4.631 1.00 0.00 C ATOM 757 CD1 ILE A 48 7.557 6.591 -1.872 1.00 0.00 C ATOM 0 H ILE A 48 10.730 5.607 -4.760 1.00 0.00 H new ATOM 0 HA ILE A 48 8.533 3.641 -4.616 1.00 0.00 H new ATOM 0 HB ILE A 48 8.537 6.675 -4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.728 4.537 -2.435 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.251 5.405 -2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.104 6.501 -4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.580 5.927 -5.700 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.184 4.756 -4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.666 6.369 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.044 7.540 -2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.498 6.659 -2.122 1.00 0.00 H new ATOM 769 N PRO A 49 7.909 3.865 -7.061 1.00 0.00 N ATOM 770 CA PRO A 49 7.611 3.915 -8.496 1.00 0.00 C ATOM 771 C PRO A 49 6.785 5.145 -8.869 1.00 0.00 C ATOM 772 O PRO A 49 6.143 5.757 -8.012 1.00 0.00 O ATOM 773 CB PRO A 49 6.809 2.632 -8.735 1.00 0.00 C ATOM 774 CG PRO A 49 6.226 2.299 -7.404 1.00 0.00 C ATOM 775 CD PRO A 49 7.263 2.718 -6.401 1.00 0.00 C ATOM 0 HA PRO A 49 8.514 3.985 -9.103 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.030 2.785 -9.482 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.448 1.828 -9.100 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.287 2.828 -7.243 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.010 1.234 -7.325 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.814 2.999 -5.448 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.973 1.917 -6.195 1.00 0.00 H new ATOM 783 N ARG A 50 6.820 5.515 -10.143 1.00 0.00 N ATOM 784 CA ARG A 50 6.027 6.633 -10.635 1.00 0.00 C ATOM 785 C ARG A 50 4.541 6.317 -10.471 1.00 0.00 C ATOM 786 O ARG A 50 4.159 5.146 -10.407 1.00 0.00 O ATOM 787 CB ARG A 50 6.363 6.924 -12.106 1.00 0.00 C ATOM 788 CG ARG A 50 5.860 8.280 -12.589 1.00 0.00 C ATOM 789 CD ARG A 50 6.166 8.526 -14.060 1.00 0.00 C ATOM 790 NE ARG A 50 7.597 8.469 -14.349 1.00 0.00 N ATOM 791 CZ ARG A 50 8.214 9.259 -15.236 1.00 0.00 C ATOM 792 NH1 ARG A 50 7.552 10.221 -15.868 1.00 0.00 N ATOM 793 NH2 ARG A 50 9.505 9.092 -15.477 1.00 0.00 N ATOM 0 H ARG A 50 7.390 5.057 -10.854 1.00 0.00 H new ATOM 0 HA ARG A 50 6.265 7.524 -10.054 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.444 6.878 -12.239 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.931 6.142 -12.730 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.783 8.342 -12.430 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.317 9.068 -11.990 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.646 7.783 -14.665 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.778 9.502 -14.351 1.00 0.00 H new ATOM 0 HE ARG A 50 8.160 7.785 -13.844 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.560 10.366 -15.680 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.036 10.815 -16.541 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.025 8.364 -14.988 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.980 9.692 -16.152 1.00 0.00 H new ATOM 807 N MET A 51 3.719 7.361 -10.402 1.00 0.00 N ATOM 808 CA MET A 51 2.282 7.224 -10.142 1.00 0.00 C ATOM 809 C MET A 51 1.624 6.193 -11.062 1.00 0.00 C ATOM 810 O MET A 51 0.777 5.412 -10.626 1.00 0.00 O ATOM 811 CB MET A 51 1.591 8.581 -10.308 1.00 0.00 C ATOM 812 CG MET A 51 0.122 8.574 -9.914 1.00 0.00 C ATOM 813 SD MET A 51 -0.680 10.171 -10.181 1.00 0.00 S ATOM 814 CE MET A 51 0.303 11.231 -9.122 1.00 0.00 C ATOM 0 H MET A 51 4.026 8.326 -10.524 1.00 0.00 H new ATOM 0 HA MET A 51 2.168 6.871 -9.117 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.116 9.322 -9.705 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.677 8.897 -11.347 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.400 7.809 -10.489 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.033 8.299 -8.863 1.00 0.00 H new ATOM 0 HE1 MET A 51 -0.344 11.965 -8.641 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.797 10.627 -8.360 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.055 11.746 -9.720 1.00 0.00 H new ATOM 824 N GLY A 52 2.028 6.187 -12.330 1.00 0.00 N ATOM 825 CA GLY A 52 1.478 5.243 -13.288 1.00 0.00 C ATOM 826 C GLY A 52 1.724 3.794 -12.902 1.00 0.00 C ATOM 827 O GLY A 52 0.926 2.914 -13.224 1.00 0.00 O ATOM 0 H GLY A 52 2.729 6.822 -12.712 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.405 5.411 -13.381 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.916 5.432 -14.268 1.00 0.00 H new ATOM 831 N LYS A 53 2.823 3.540 -12.204 1.00 0.00 N ATOM 832 CA LYS A 53 3.163 2.188 -11.780 1.00 0.00 C ATOM 833 C LYS A 53 2.471 1.847 -10.468 1.00 0.00 C ATOM 834 O LYS A 53 2.068 0.707 -10.248 1.00 0.00 O ATOM 835 CB LYS A 53 4.679 2.034 -11.640 1.00 0.00 C ATOM 836 CG LYS A 53 5.317 1.115 -12.678 1.00 0.00 C ATOM 837 CD LYS A 53 5.150 1.631 -14.106 1.00 0.00 C ATOM 838 CE LYS A 53 3.822 1.210 -14.720 1.00 0.00 C ATOM 839 NZ LYS A 53 3.694 1.665 -16.130 1.00 0.00 N ATOM 0 H LYS A 53 3.495 4.253 -11.919 1.00 0.00 H new ATOM 0 HA LYS A 53 2.814 1.493 -12.544 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.140 3.019 -11.712 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.903 1.649 -10.645 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.379 1.007 -12.457 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.873 0.123 -12.601 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.220 2.719 -14.108 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.968 1.258 -14.723 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.731 0.125 -14.679 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.003 1.621 -14.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.776 1.359 -16.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.755 2.703 -16.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.461 1.253 -16.699 1.00 0.00 H new ATOM 853 N VAL A 54 2.328 2.847 -9.603 1.00 0.00 N ATOM 854 CA VAL A 54 1.606 2.676 -8.347 1.00 0.00 C ATOM 855 C VAL A 54 0.164 2.282 -8.632 1.00 0.00 C ATOM 856 O VAL A 54 -0.402 1.406 -7.978 1.00 0.00 O ATOM 857 CB VAL A 54 1.624 3.966 -7.497 1.00 0.00 C ATOM 858 CG1 VAL A 54 0.875 3.770 -6.187 1.00 0.00 C ATOM 859 CG2 VAL A 54 3.051 4.416 -7.229 1.00 0.00 C ATOM 0 H VAL A 54 2.703 3.784 -9.749 1.00 0.00 H new ATOM 0 HA VAL A 54 2.106 1.890 -7.782 1.00 0.00 H new ATOM 0 HB VAL A 54 1.116 4.745 -8.065 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.904 4.694 -5.609 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.161 3.506 -6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.345 2.970 -5.615 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.039 5.326 -6.629 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.584 3.633 -6.690 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.554 4.612 -8.176 1.00 0.00 H new ATOM 869 N GLN A 55 -0.417 2.930 -9.636 1.00 0.00 N ATOM 870 CA GLN A 55 -1.774 2.626 -10.061 1.00 0.00 C ATOM 871 C GLN A 55 -1.874 1.181 -10.540 1.00 0.00 C ATOM 872 O GLN A 55 -2.859 0.498 -10.265 1.00 0.00 O ATOM 873 CB GLN A 55 -2.202 3.582 -11.177 1.00 0.00 C ATOM 874 CG GLN A 55 -3.635 3.387 -11.650 1.00 0.00 C ATOM 875 CD GLN A 55 -4.654 3.571 -10.543 1.00 0.00 C ATOM 876 OE1 GLN A 55 -5.130 4.679 -10.297 1.00 0.00 O ATOM 877 NE2 GLN A 55 -5.009 2.484 -9.878 1.00 0.00 N ATOM 0 H GLN A 55 0.035 3.672 -10.171 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.441 2.755 -9.209 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.083 4.607 -10.827 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.531 3.455 -12.026 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.846 4.094 -12.452 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.740 2.387 -12.071 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.591 1.584 -10.112 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.701 2.546 -9.131 1.00 0.00 H new ATOM 886 N ALA A 56 -0.841 0.723 -11.242 1.00 0.00 N ATOM 887 CA ALA A 56 -0.797 -0.642 -11.757 1.00 0.00 C ATOM 888 C ALA A 56 -0.740 -1.649 -10.614 1.00 0.00 C ATOM 889 O ALA A 56 -1.407 -2.687 -10.654 1.00 0.00 O ATOM 890 CB ALA A 56 0.397 -0.822 -12.689 1.00 0.00 C ATOM 0 H ALA A 56 -0.018 1.282 -11.468 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.710 -0.823 -12.325 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.415 -1.845 -13.064 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.312 -0.130 -13.527 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.318 -0.620 -12.143 1.00 0.00 H new ATOM 896 N LEU A 57 0.046 -1.330 -9.593 1.00 0.00 N ATOM 897 CA LEU A 57 0.176 -2.188 -8.423 1.00 0.00 C ATOM 898 C LEU A 57 -1.159 -2.312 -7.704 1.00 0.00 C ATOM 899 O LEU A 57 -1.634 -3.417 -7.438 1.00 0.00 O ATOM 900 CB LEU A 57 1.234 -1.626 -7.471 1.00 0.00 C ATOM 901 CG LEU A 57 2.651 -1.538 -8.045 1.00 0.00 C ATOM 902 CD1 LEU A 57 3.582 -0.843 -7.063 1.00 0.00 C ATOM 903 CD2 LEU A 57 3.176 -2.923 -8.389 1.00 0.00 C ATOM 0 H LEU A 57 0.606 -0.478 -9.552 1.00 0.00 H new ATOM 0 HA LEU A 57 0.488 -3.179 -8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.924 -0.629 -7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.260 -2.247 -6.576 1.00 0.00 H new ATOM 0 HG LEU A 57 2.614 -0.948 -8.961 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.584 -0.789 -7.488 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.217 0.165 -6.867 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.613 -1.406 -6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.184 -2.839 -8.795 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.197 -3.538 -7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.524 -3.386 -9.129 1.00 0.00 H new ATOM 915 N ALA A 58 -1.776 -1.171 -7.417 1.00 0.00 N ATOM 916 CA ALA A 58 -3.068 -1.148 -6.745 1.00 0.00 C ATOM 917 C ALA A 58 -4.133 -1.830 -7.601 1.00 0.00 C ATOM 918 O ALA A 58 -5.037 -2.482 -7.082 1.00 0.00 O ATOM 919 CB ALA A 58 -3.476 0.285 -6.428 1.00 0.00 C ATOM 0 H ALA A 58 -1.401 -0.249 -7.640 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.978 -1.698 -5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.444 0.285 -5.926 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.729 0.740 -5.777 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.547 0.856 -7.354 1.00 0.00 H new ATOM 925 N ASP A 59 -4.005 -1.681 -8.913 1.00 0.00 N ATOM 926 CA ASP A 59 -4.926 -2.290 -9.871 1.00 0.00 C ATOM 927 C ASP A 59 -4.827 -3.810 -9.844 1.00 0.00 C ATOM 928 O ASP A 59 -5.838 -4.509 -9.879 1.00 0.00 O ATOM 929 CB ASP A 59 -4.618 -1.776 -11.277 1.00 0.00 C ATOM 930 CG ASP A 59 -5.422 -2.471 -12.354 1.00 0.00 C ATOM 931 OD1 ASP A 59 -6.661 -2.335 -12.360 1.00 0.00 O ATOM 932 OD2 ASP A 59 -4.811 -3.147 -13.208 1.00 0.00 O ATOM 0 H ASP A 59 -3.260 -1.135 -9.346 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.942 -2.012 -9.591 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.818 -0.705 -11.317 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.556 -1.910 -11.482 1.00 0.00 H new ATOM 937 N TYR A 60 -3.604 -4.309 -9.766 1.00 0.00 N ATOM 938 CA TYR A 60 -3.358 -5.746 -9.755 1.00 0.00 C ATOM 939 C TYR A 60 -3.957 -6.391 -8.509 1.00 0.00 C ATOM 940 O TYR A 60 -4.467 -7.510 -8.561 1.00 0.00 O ATOM 941 CB TYR A 60 -1.859 -6.032 -9.816 1.00 0.00 C ATOM 942 CG TYR A 60 -1.535 -7.491 -10.046 1.00 0.00 C ATOM 943 CD1 TYR A 60 -1.821 -8.096 -11.261 1.00 0.00 C ATOM 944 CD2 TYR A 60 -0.949 -8.261 -9.049 1.00 0.00 C ATOM 945 CE1 TYR A 60 -1.534 -9.428 -11.480 1.00 0.00 C ATOM 946 CE2 TYR A 60 -0.657 -9.596 -9.261 1.00 0.00 C ATOM 947 CZ TYR A 60 -0.952 -10.174 -10.478 1.00 0.00 C ATOM 948 OH TYR A 60 -0.667 -11.502 -10.695 1.00 0.00 O ATOM 0 H TYR A 60 -2.760 -3.738 -9.709 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.838 -6.175 -10.634 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.416 -5.439 -10.616 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.396 -5.707 -8.884 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.276 -7.515 -12.049 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.718 -7.811 -8.095 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.764 -9.883 -12.432 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.200 -10.183 -8.478 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.119 -11.591 -11.503 1.00 0.00 H new ATOM 958 N PHE A 61 -3.891 -5.680 -7.394 1.00 0.00 N ATOM 959 CA PHE A 61 -4.465 -6.166 -6.147 1.00 0.00 C ATOM 960 C PHE A 61 -5.948 -5.828 -6.075 1.00 0.00 C ATOM 961 O PHE A 61 -6.667 -6.338 -5.212 1.00 0.00 O ATOM 962 CB PHE A 61 -3.743 -5.565 -4.940 1.00 0.00 C ATOM 963 CG PHE A 61 -2.366 -6.120 -4.707 1.00 0.00 C ATOM 964 CD1 PHE A 61 -2.195 -7.322 -4.035 1.00 0.00 C ATOM 965 CD2 PHE A 61 -1.243 -5.441 -5.151 1.00 0.00 C ATOM 966 CE1 PHE A 61 -0.930 -7.833 -3.811 1.00 0.00 C ATOM 967 CE2 PHE A 61 0.023 -5.947 -4.931 1.00 0.00 C ATOM 968 CZ PHE A 61 0.179 -7.144 -4.260 1.00 0.00 C ATOM 0 H PHE A 61 -3.446 -4.765 -7.326 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.342 -7.249 -6.124 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.670 -4.486 -5.075 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.347 -5.734 -4.048 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.060 -7.865 -3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.359 -4.504 -5.676 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.810 -8.769 -3.286 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.890 -5.407 -5.283 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.168 -7.541 -4.087 1.00 0.00 H new ATOM 978 N ASN A 62 -6.388 -4.960 -6.987 1.00 0.00 N ATOM 979 CA ASN A 62 -7.771 -4.489 -7.035 1.00 0.00 C ATOM 980 C ASN A 62 -8.113 -3.733 -5.749 1.00 0.00 C ATOM 981 O ASN A 62 -9.243 -3.761 -5.263 1.00 0.00 O ATOM 982 CB ASN A 62 -8.732 -5.666 -7.262 1.00 0.00 C ATOM 983 CG ASN A 62 -10.130 -5.223 -7.657 1.00 0.00 C ATOM 984 OD1 ASN A 62 -10.315 -4.170 -8.269 1.00 0.00 O ATOM 985 ND2 ASN A 62 -11.123 -6.035 -7.325 1.00 0.00 N ATOM 0 H ASN A 62 -5.793 -4.563 -7.715 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.883 -3.802 -7.874 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.328 -6.313 -8.041 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.789 -6.262 -6.351 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -12.082 -5.797 -7.577 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.928 -6.898 -6.818 1.00 0.00 H new ATOM 992 N ILE A 63 -7.118 -3.036 -5.215 1.00 0.00 N ATOM 993 CA ILE A 63 -7.274 -2.268 -3.986 1.00 0.00 C ATOM 994 C ILE A 63 -7.181 -0.778 -4.286 1.00 0.00 C ATOM 995 O ILE A 63 -7.136 -0.378 -5.450 1.00 0.00 O ATOM 996 CB ILE A 63 -6.199 -2.638 -2.939 1.00 0.00 C ATOM 997 CG1 ILE A 63 -4.793 -2.382 -3.499 1.00 0.00 C ATOM 998 CG2 ILE A 63 -6.355 -4.093 -2.512 1.00 0.00 C ATOM 999 CD1 ILE A 63 -3.687 -2.604 -2.490 1.00 0.00 C ATOM 0 H ILE A 63 -6.183 -2.987 -5.620 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.254 -2.509 -3.574 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.335 -2.006 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.628 -3.036 -4.356 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.738 -1.357 -3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.591 -4.340 -1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.343 -4.240 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.243 -4.741 -3.381 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.723 -2.404 -2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.826 -1.932 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.714 -3.636 -2.142 1.00 0.00 H new ATOM 1011 N ASN A 64 -7.168 0.045 -3.248 1.00 0.00 N ATOM 1012 CA ASN A 64 -6.992 1.477 -3.432 1.00 0.00 C ATOM 1013 C ASN A 64 -5.519 1.829 -3.323 1.00 0.00 C ATOM 1014 O ASN A 64 -4.784 1.214 -2.549 1.00 0.00 O ATOM 1015 CB ASN A 64 -7.779 2.286 -2.396 1.00 0.00 C ATOM 1016 CG ASN A 64 -9.228 1.869 -2.292 1.00 0.00 C ATOM 1017 OD1 ASN A 64 -10.066 2.279 -3.093 1.00 0.00 O ATOM 1018 ND2 ASN A 64 -9.539 1.074 -1.285 1.00 0.00 N ATOM 0 H ASN A 64 -7.276 -0.251 -2.278 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.372 1.731 -4.422 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.305 2.175 -1.421 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.729 3.343 -2.656 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.505 0.777 -1.149 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.813 0.756 -0.643 1.00 0.00 H new ATOM 1025 N LYS A 65 -5.087 2.827 -4.083 1.00 0.00 N ATOM 1026 CA LYS A 65 -3.708 3.289 -4.002 1.00 0.00 C ATOM 1027 C LYS A 65 -3.477 3.959 -2.654 1.00 0.00 C ATOM 1028 O LYS A 65 -2.372 3.940 -2.116 1.00 0.00 O ATOM 1029 CB LYS A 65 -3.370 4.243 -5.157 1.00 0.00 C ATOM 1030 CG LYS A 65 -4.219 5.502 -5.201 1.00 0.00 C ATOM 1031 CD LYS A 65 -3.853 6.372 -6.396 1.00 0.00 C ATOM 1032 CE LYS A 65 -4.710 7.626 -6.478 1.00 0.00 C ATOM 1033 NZ LYS A 65 -6.156 7.301 -6.566 1.00 0.00 N ATOM 0 H LYS A 65 -5.666 3.328 -4.757 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.044 2.429 -4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.321 4.529 -5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.486 3.708 -6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.273 5.231 -5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.082 6.069 -4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.803 6.656 -6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.969 5.794 -7.313 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.530 8.247 -5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.415 8.211 -7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.685 8.148 -6.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.300 6.546 -7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.497 6.981 -5.637 1.00 0.00 H new ATOM 1047 N SER A 66 -4.542 4.541 -2.115 1.00 0.00 N ATOM 1048 CA SER A 66 -4.499 5.182 -0.811 1.00 0.00 C ATOM 1049 C SER A 66 -4.098 4.196 0.286 1.00 0.00 C ATOM 1050 O SER A 66 -3.434 4.577 1.243 1.00 0.00 O ATOM 1051 CB SER A 66 -5.862 5.790 -0.498 1.00 0.00 C ATOM 1052 OG SER A 66 -6.227 6.733 -1.492 1.00 0.00 O ATOM 0 H SER A 66 -5.455 4.581 -2.569 1.00 0.00 H new ATOM 0 HA SER A 66 -3.744 5.967 -0.841 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.614 5.003 -0.442 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.835 6.274 0.478 1.00 0.00 H new ATOM 0 HG SER A 66 -7.105 7.112 -1.277 1.00 0.00 H new ATOM 1058 N ASP A 67 -4.477 2.927 0.123 1.00 0.00 N ATOM 1059 CA ASP A 67 -4.160 1.890 1.112 1.00 0.00 C ATOM 1060 C ASP A 67 -2.654 1.723 1.276 1.00 0.00 C ATOM 1061 O ASP A 67 -2.177 1.254 2.310 1.00 0.00 O ATOM 1062 CB ASP A 67 -4.774 0.544 0.713 1.00 0.00 C ATOM 1063 CG ASP A 67 -6.249 0.440 1.043 1.00 0.00 C ATOM 1064 OD1 ASP A 67 -6.578 0.173 2.218 1.00 0.00 O ATOM 1065 OD2 ASP A 67 -7.087 0.603 0.133 1.00 0.00 O ATOM 0 H ASP A 67 -5.004 2.591 -0.683 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.587 2.213 2.062 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.636 0.392 -0.358 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.237 -0.258 1.220 1.00 0.00 H new ATOM 1070 N LEU A 68 -1.914 2.096 0.241 1.00 0.00 N ATOM 1071 CA LEU A 68 -0.465 2.014 0.266 1.00 0.00 C ATOM 1072 C LEU A 68 0.131 3.321 0.781 1.00 0.00 C ATOM 1073 O LEU A 68 1.263 3.354 1.262 1.00 0.00 O ATOM 1074 CB LEU A 68 0.072 1.725 -1.137 1.00 0.00 C ATOM 1075 CG LEU A 68 -0.505 0.481 -1.821 1.00 0.00 C ATOM 1076 CD1 LEU A 68 0.076 0.326 -3.216 1.00 0.00 C ATOM 1077 CD2 LEU A 68 -0.232 -0.762 -0.990 1.00 0.00 C ATOM 0 H LEU A 68 -2.299 2.460 -0.631 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.177 1.203 0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.127 2.591 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.155 1.616 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.584 0.605 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.344 -0.562 -3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.170 1.205 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.159 0.224 -3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.649 -1.635 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.844 -0.892 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.694 -0.653 -0.009 1.00 0.00 H new ATOM 1089 N ILE A 69 -0.648 4.391 0.694 1.00 0.00 N ATOM 1090 CA ILE A 69 -0.160 5.724 1.019 1.00 0.00 C ATOM 1091 C ILE A 69 -0.392 6.075 2.489 1.00 0.00 C ATOM 1092 O ILE A 69 0.530 6.520 3.176 1.00 0.00 O ATOM 1093 CB ILE A 69 -0.830 6.795 0.127 1.00 0.00 C ATOM 1094 CG1 ILE A 69 -0.540 6.508 -1.350 1.00 0.00 C ATOM 1095 CG2 ILE A 69 -0.339 8.189 0.500 1.00 0.00 C ATOM 1096 CD1 ILE A 69 -1.215 7.474 -2.304 1.00 0.00 C ATOM 0 H ILE A 69 -1.624 4.361 0.400 1.00 0.00 H new ATOM 0 HA ILE A 69 0.914 5.716 0.831 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.907 6.755 0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.537 6.544 -1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.864 5.494 -1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.822 8.928 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.584 8.394 1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.741 8.243 0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.963 7.207 -3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.296 7.422 -2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.872 8.488 -2.098 1.00 0.00 H new ATOM 1108 N GLU A 70 -1.610 5.869 2.975 1.00 0.00 N ATOM 1109 CA GLU A 70 -1.964 6.310 4.310 1.00 0.00 C ATOM 1110 C GLU A 70 -1.372 5.407 5.388 1.00 0.00 C ATOM 1111 O GLU A 70 -1.117 4.219 5.164 1.00 0.00 O ATOM 1112 CB GLU A 70 -3.487 6.438 4.449 1.00 0.00 C ATOM 1113 CG GLU A 70 -4.299 5.231 3.999 1.00 0.00 C ATOM 1114 CD GLU A 70 -4.388 4.136 5.041 1.00 0.00 C ATOM 1115 OE1 GLU A 70 -4.830 4.423 6.170 1.00 0.00 O ATOM 1116 OE2 GLU A 70 -4.028 2.982 4.730 1.00 0.00 O ATOM 0 H GLU A 70 -2.361 5.403 2.466 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.526 7.297 4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.721 6.640 5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.813 7.306 3.875 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.306 5.557 3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.854 4.822 3.092 1.00 0.00 H new ATOM 1123 N ASP A 71 -1.133 5.999 6.551 1.00 0.00 N ATOM 1124 CA ASP A 71 -0.550 5.291 7.681 1.00 0.00 C ATOM 1125 C ASP A 71 -1.545 4.289 8.249 1.00 0.00 C ATOM 1126 O ASP A 71 -2.706 4.619 8.486 1.00 0.00 O ATOM 1127 CB ASP A 71 -0.121 6.287 8.763 1.00 0.00 C ATOM 1128 CG ASP A 71 0.436 5.605 9.994 1.00 0.00 C ATOM 1129 OD1 ASP A 71 1.658 5.337 10.032 1.00 0.00 O ATOM 1130 OD2 ASP A 71 -0.338 5.339 10.928 1.00 0.00 O ATOM 0 H ASP A 71 -1.338 6.981 6.736 1.00 0.00 H new ATOM 0 HA ASP A 71 0.330 4.747 7.337 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.632 6.961 8.354 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.976 6.900 9.047 1.00 0.00 H new ATOM 1135 N LYS A 72 -1.081 3.070 8.481 1.00 0.00 N ATOM 1136 CA LYS A 72 -1.963 1.981 8.870 1.00 0.00 C ATOM 1137 C LYS A 72 -1.919 1.756 10.385 1.00 0.00 C ATOM 1138 O LYS A 72 -2.517 0.813 10.900 1.00 0.00 O ATOM 1139 CB LYS A 72 -1.550 0.702 8.129 1.00 0.00 C ATOM 1140 CG LYS A 72 -2.648 -0.351 8.039 1.00 0.00 C ATOM 1141 CD LYS A 72 -3.768 0.060 7.085 1.00 0.00 C ATOM 1142 CE LYS A 72 -3.373 -0.102 5.617 1.00 0.00 C ATOM 1143 NZ LYS A 72 -2.457 0.972 5.141 1.00 0.00 N ATOM 0 H LYS A 72 -0.097 2.810 8.406 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.986 2.243 8.600 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.232 0.967 7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.686 0.267 8.632 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.217 -1.295 7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.064 -0.525 9.031 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.654 -0.542 7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.038 1.099 7.273 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.891 -1.070 5.480 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.273 -0.104 5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.514 1.043 4.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.735 1.879 5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.481 0.744 5.419 1.00 0.00 H new ATOM 1157 N LYS A 73 -1.229 2.635 11.101 1.00 0.00 N ATOM 1158 CA LYS A 73 -1.080 2.509 12.543 1.00 0.00 C ATOM 1159 C LYS A 73 -2.231 3.218 13.260 1.00 0.00 C ATOM 1160 O LYS A 73 -2.080 3.740 14.368 1.00 0.00 O ATOM 1161 CB LYS A 73 0.261 3.104 12.970 1.00 0.00 C ATOM 1162 CG LYS A 73 0.669 2.742 14.388 1.00 0.00 C ATOM 1163 CD LYS A 73 1.878 3.536 14.850 1.00 0.00 C ATOM 1164 CE LYS A 73 2.196 3.260 16.310 1.00 0.00 C ATOM 1165 NZ LYS A 73 3.278 4.144 16.817 1.00 0.00 N ATOM 0 H LYS A 73 -0.761 3.448 10.701 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.106 1.454 12.816 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.034 2.764 12.281 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.211 4.189 12.882 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.166 2.926 15.064 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.893 1.677 14.440 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.740 3.281 14.234 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.691 4.601 14.712 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.298 3.404 16.911 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.494 2.218 16.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.466 3.925 17.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.143 3.989 16.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.984 5.138 16.730 1.00 0.00 H new ATOM 1179 N LEU A 74 -3.383 3.233 12.618 1.00 0.00 N ATOM 1180 CA LEU A 74 -4.571 3.836 13.190 1.00 0.00 C ATOM 1181 C LEU A 74 -5.208 2.912 14.226 1.00 0.00 C ATOM 1182 O LEU A 74 -6.242 2.286 13.975 1.00 0.00 O ATOM 1183 CB LEU A 74 -5.570 4.174 12.088 1.00 0.00 C ATOM 1184 CG LEU A 74 -5.158 5.318 11.163 1.00 0.00 C ATOM 1185 CD1 LEU A 74 -6.233 5.566 10.118 1.00 0.00 C ATOM 1186 CD2 LEU A 74 -4.894 6.582 11.965 1.00 0.00 C ATOM 0 H LEU A 74 -3.522 2.830 11.691 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.280 4.757 13.695 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.736 3.282 11.484 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.524 4.428 12.550 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.237 5.036 10.653 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.925 6.384 9.466 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.378 4.664 9.524 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.168 5.829 10.613 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.602 7.387 11.290 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.799 6.869 12.501 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.092 6.398 12.680 1.00 0.00 H new ATOM 1198 N ASN A 75 -4.553 2.809 15.371 1.00 0.00 N ATOM 1199 CA ASN A 75 -5.052 2.038 16.498 1.00 0.00 C ATOM 1200 C ASN A 75 -4.450 2.618 17.775 1.00 0.00 C ATOM 1201 O ASN A 75 -3.303 3.075 17.766 1.00 0.00 O ATOM 1202 CB ASN A 75 -4.683 0.553 16.343 1.00 0.00 C ATOM 1203 CG ASN A 75 -5.502 -0.367 17.240 1.00 0.00 C ATOM 1204 OD1 ASN A 75 -5.922 0.007 18.335 1.00 0.00 O ATOM 1205 ND2 ASN A 75 -5.745 -1.582 16.771 1.00 0.00 N ATOM 0 H ASN A 75 -3.655 3.260 15.546 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.139 2.099 16.542 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.825 0.257 15.304 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.625 0.423 16.570 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.296 -2.241 17.322 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.381 -1.859 15.859 1.00 0.00 H new ATOM 1212 N ILE A 76 -5.221 2.610 18.853 1.00 0.00 N ATOM 1213 CA ILE A 76 -4.832 3.296 20.081 1.00 0.00 C ATOM 1214 C ILE A 76 -3.589 2.679 20.718 1.00 0.00 C ATOM 1215 O ILE A 76 -3.495 1.463 20.899 1.00 0.00 O ATOM 1216 CB ILE A 76 -5.985 3.305 21.108 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -7.249 3.916 20.490 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -5.587 4.070 22.366 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -7.073 5.345 20.010 1.00 0.00 C ATOM 0 H ILE A 76 -6.122 2.135 18.904 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.597 4.322 19.797 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.197 2.273 21.389 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.565 3.298 19.650 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.052 3.887 21.227 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.416 4.062 23.074 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.717 3.596 22.820 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.343 5.100 22.104 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.011 5.705 19.586 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.788 5.978 20.850 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.294 5.380 19.248 1.00 0.00 H new ATOM 1231 N ASP A 77 -2.642 3.550 21.043 1.00 0.00 N ATOM 1232 CA ASP A 77 -1.413 3.183 21.728 1.00 0.00 C ATOM 1233 C ASP A 77 -0.739 4.450 22.231 1.00 0.00 C ATOM 1234 O ASP A 77 -0.311 5.292 21.439 1.00 0.00 O ATOM 1235 CB ASP A 77 -0.460 2.404 20.814 1.00 0.00 C ATOM 1236 CG ASP A 77 0.828 2.019 21.523 1.00 0.00 C ATOM 1237 OD1 ASP A 77 0.764 1.241 22.501 1.00 0.00 O ATOM 1238 OD2 ASP A 77 1.911 2.483 21.106 1.00 0.00 O ATOM 0 H ASP A 77 -2.709 4.546 20.834 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.662 2.528 22.563 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -0.958 1.504 20.455 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.224 3.008 19.938 1.00 0.00 H new ATOM 1243 N THR A 78 -0.686 4.609 23.541 1.00 0.00 N ATOM 1244 CA THR A 78 -0.113 5.804 24.125 1.00 0.00 C ATOM 1245 C THR A 78 1.409 5.745 24.048 1.00 0.00 C ATOM 1246 O THR A 78 2.006 4.682 24.225 1.00 0.00 O ATOM 1247 CB THR A 78 -0.578 6.015 25.588 1.00 0.00 C ATOM 1248 OG1 THR A 78 -0.155 7.301 26.063 1.00 0.00 O ATOM 1249 CG2 THR A 78 -0.038 4.932 26.513 1.00 0.00 C ATOM 0 H THR A 78 -1.032 3.928 24.217 1.00 0.00 H new ATOM 0 HA THR A 78 -0.468 6.659 23.549 1.00 0.00 H new ATOM 0 HB THR A 78 -1.667 5.959 25.595 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.456 7.423 26.988 1.00 0.00 H new ATOM 0 HG21 THR A 78 -0.386 5.115 27.530 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.393 3.957 26.178 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.052 4.948 26.494 1.00 0.00 H new ATOM 1257 N VAL A 79 2.030 6.876 23.752 1.00 0.00 N ATOM 1258 CA VAL A 79 3.474 6.928 23.557 1.00 0.00 C ATOM 1259 C VAL A 79 4.111 7.993 24.441 1.00 0.00 C ATOM 1260 O VAL A 79 4.223 9.150 24.037 1.00 0.00 O ATOM 1261 CB VAL A 79 3.846 7.206 22.082 1.00 0.00 C ATOM 1262 CG1 VAL A 79 5.356 7.198 21.894 1.00 0.00 C ATOM 1263 CG2 VAL A 79 3.187 6.195 21.159 1.00 0.00 C ATOM 0 H VAL A 79 1.557 7.773 23.641 1.00 0.00 H new ATOM 0 HA VAL A 79 3.860 5.947 23.836 1.00 0.00 H new ATOM 0 HB VAL A 79 3.475 8.198 21.822 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.594 7.396 20.849 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.805 7.969 22.520 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.753 6.223 22.178 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.463 6.411 20.127 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.520 5.191 21.422 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.104 6.257 21.265 1.00 0.00 H new ATOM 1273 N PRO A 80 4.471 7.636 25.683 1.00 0.00 N ATOM 1274 CA PRO A 80 5.209 8.533 26.576 1.00 0.00 C ATOM 1275 C PRO A 80 6.582 8.864 25.999 1.00 0.00 C ATOM 1276 O PRO A 80 7.465 8.002 25.935 1.00 0.00 O ATOM 1277 CB PRO A 80 5.348 7.734 27.880 1.00 0.00 C ATOM 1278 CG PRO A 80 4.322 6.657 27.783 1.00 0.00 C ATOM 1279 CD PRO A 80 4.189 6.342 26.321 1.00 0.00 C ATOM 0 HA PRO A 80 4.702 9.487 26.720 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.350 7.317 27.983 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.175 8.366 28.751 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.628 5.775 28.346 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.370 6.986 28.199 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.895 5.574 26.007 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.192 5.978 26.075 1.00 0.00 H new ATOM 1287 N ILE A 81 6.748 10.103 25.554 1.00 0.00 N ATOM 1288 CA ILE A 81 7.978 10.515 24.897 1.00 0.00 C ATOM 1289 C ILE A 81 9.077 10.762 25.917 1.00 0.00 C ATOM 1290 O ILE A 81 8.872 11.456 26.917 1.00 0.00 O ATOM 1291 CB ILE A 81 7.804 11.803 24.057 1.00 0.00 C ATOM 1292 CG1 ILE A 81 6.594 11.714 23.119 1.00 0.00 C ATOM 1293 CG2 ILE A 81 9.067 12.085 23.252 1.00 0.00 C ATOM 1294 CD1 ILE A 81 5.285 12.132 23.760 1.00 0.00 C ATOM 0 H ILE A 81 6.046 10.838 25.637 1.00 0.00 H new ATOM 0 HA ILE A 81 8.248 9.697 24.230 1.00 0.00 H new ATOM 0 HB ILE A 81 7.627 12.624 24.752 1.00 0.00 H new ATOM 0 HG12 ILE A 81 6.776 12.342 22.247 1.00 0.00 H new ATOM 0 HG13 ILE A 81 6.500 10.689 22.760 1.00 0.00 H new ATOM 0 HG21 ILE A 81 8.930 12.994 22.666 1.00 0.00 H new ATOM 0 HG22 ILE A 81 9.910 12.215 23.931 1.00 0.00 H new ATOM 0 HG23 ILE A 81 9.266 11.248 22.582 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.478 12.041 23.033 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.077 11.489 24.615 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.358 13.167 24.094 1.00 0.00 H new ATOM 1306 N GLU A 82 10.243 10.201 25.657 1.00 0.00 N ATOM 1307 CA GLU A 82 11.405 10.457 26.485 1.00 0.00 C ATOM 1308 C GLU A 82 12.112 11.706 25.987 1.00 0.00 C ATOM 1309 O GLU A 82 13.004 11.639 25.140 1.00 0.00 O ATOM 1310 CB GLU A 82 12.363 9.268 26.485 1.00 0.00 C ATOM 1311 CG GLU A 82 11.749 7.998 27.048 1.00 0.00 C ATOM 1312 CD GLU A 82 12.783 6.926 27.301 1.00 0.00 C ATOM 1313 OE1 GLU A 82 13.425 6.960 28.372 1.00 0.00 O ATOM 1314 OE2 GLU A 82 12.968 6.052 26.427 1.00 0.00 O ATOM 0 H GLU A 82 10.410 9.564 24.878 1.00 0.00 H new ATOM 0 HA GLU A 82 11.072 10.609 27.512 1.00 0.00 H new ATOM 0 HB2 GLU A 82 12.697 9.080 25.465 1.00 0.00 H new ATOM 0 HB3 GLU A 82 13.248 9.524 27.068 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.232 8.229 27.980 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.999 7.620 26.353 1.00 0.00 H new ATOM 1321 N SER A 83 11.676 12.848 26.491 1.00 0.00 N ATOM 1322 CA SER A 83 12.194 14.121 26.039 1.00 0.00 C ATOM 1323 C SER A 83 13.566 14.390 26.645 1.00 0.00 C ATOM 1324 O SER A 83 13.733 14.377 27.868 1.00 0.00 O ATOM 1325 CB SER A 83 11.217 15.240 26.399 1.00 0.00 C ATOM 1326 OG SER A 83 11.634 16.478 25.855 1.00 0.00 O ATOM 0 H SER A 83 10.962 12.916 27.216 1.00 0.00 H new ATOM 0 HA SER A 83 12.305 14.088 24.955 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.223 14.992 26.026 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.139 15.324 27.483 1.00 0.00 H new ATOM 0 HG SER A 83 10.991 17.176 26.099 1.00 0.00 H new ATOM 1332 N GLY A 84 14.544 14.599 25.778 1.00 0.00 N ATOM 1333 CA GLY A 84 15.878 14.936 26.222 1.00 0.00 C ATOM 1334 C GLY A 84 16.198 16.395 25.983 1.00 0.00 C ATOM 1335 O GLY A 84 16.142 17.208 26.906 1.00 0.00 O ATOM 0 H GLY A 84 14.435 14.540 24.766 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.975 14.712 27.284 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.604 14.314 25.698 1.00 0.00 H new ATOM 1339 N TYR A 85 16.515 16.734 24.738 1.00 0.00 N ATOM 1340 CA TYR A 85 16.850 18.108 24.384 1.00 0.00 C ATOM 1341 C TYR A 85 16.529 18.384 22.917 1.00 0.00 C ATOM 1342 O TYR A 85 16.492 17.466 22.094 1.00 0.00 O ATOM 1343 CB TYR A 85 18.331 18.398 24.676 1.00 0.00 C ATOM 1344 CG TYR A 85 19.306 17.426 24.033 1.00 0.00 C ATOM 1345 CD1 TYR A 85 19.810 17.654 22.757 1.00 0.00 C ATOM 1346 CD2 TYR A 85 19.724 16.283 24.704 1.00 0.00 C ATOM 1347 CE1 TYR A 85 20.702 16.775 22.173 1.00 0.00 C ATOM 1348 CE2 TYR A 85 20.617 15.401 24.127 1.00 0.00 C ATOM 1349 CZ TYR A 85 21.101 15.650 22.861 1.00 0.00 C ATOM 1350 OH TYR A 85 21.994 14.772 22.283 1.00 0.00 O ATOM 0 H TYR A 85 16.547 16.077 23.958 1.00 0.00 H new ATOM 0 HA TYR A 85 16.242 18.773 24.997 1.00 0.00 H new ATOM 0 HB2 TYR A 85 18.564 19.406 24.333 1.00 0.00 H new ATOM 0 HB3 TYR A 85 18.484 18.385 25.755 1.00 0.00 H new ATOM 0 HD1 TYR A 85 19.499 18.534 22.213 1.00 0.00 H new ATOM 0 HD2 TYR A 85 19.344 16.081 25.694 1.00 0.00 H new ATOM 0 HE1 TYR A 85 21.085 16.969 21.182 1.00 0.00 H new ATOM 0 HE2 TYR A 85 20.934 14.520 24.666 1.00 0.00 H new ATOM 0 HH TYR A 85 22.172 14.032 22.901 1.00 0.00 H new ATOM 1360 N THR A 86 16.299 19.650 22.605 1.00 0.00 N ATOM 1361 CA THR A 86 15.970 20.065 21.249 1.00 0.00 C ATOM 1362 C THR A 86 17.097 20.906 20.654 1.00 0.00 C ATOM 1363 O THR A 86 17.398 22.000 21.143 1.00 0.00 O ATOM 1364 CB THR A 86 14.651 20.861 21.218 1.00 0.00 C ATOM 1365 OG1 THR A 86 14.627 21.825 22.282 1.00 0.00 O ATOM 1366 CG2 THR A 86 13.456 19.932 21.349 1.00 0.00 C ATOM 0 H THR A 86 16.335 20.415 23.279 1.00 0.00 H new ATOM 0 HA THR A 86 15.846 19.164 20.648 1.00 0.00 H new ATOM 0 HB THR A 86 14.591 21.377 20.260 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.496 22.276 22.335 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.536 20.517 21.325 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.456 19.221 20.523 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.517 19.391 22.293 1.00 0.00 H new ATOM 1374 N LEU A 87 17.721 20.394 19.602 1.00 0.00 N ATOM 1375 CA LEU A 87 18.857 21.070 18.987 1.00 0.00 C ATOM 1376 C LEU A 87 18.407 22.052 17.914 1.00 0.00 C ATOM 1377 O LEU A 87 17.562 21.736 17.075 1.00 0.00 O ATOM 1378 CB LEU A 87 19.824 20.053 18.377 1.00 0.00 C ATOM 1379 CG LEU A 87 20.560 19.169 19.387 1.00 0.00 C ATOM 1380 CD1 LEU A 87 21.447 18.158 18.675 1.00 0.00 C ATOM 1381 CD2 LEU A 87 21.386 20.020 20.342 1.00 0.00 C ATOM 0 H LEU A 87 17.461 19.514 19.157 1.00 0.00 H new ATOM 0 HA LEU A 87 19.367 21.627 19.773 1.00 0.00 H new ATOM 0 HB2 LEU A 87 19.268 19.411 17.693 1.00 0.00 H new ATOM 0 HB3 LEU A 87 20.563 20.589 17.781 1.00 0.00 H new ATOM 0 HG LEU A 87 19.815 18.623 19.966 1.00 0.00 H new ATOM 0 HD11 LEU A 87 21.960 17.541 19.413 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.834 17.524 18.034 1.00 0.00 H new ATOM 0 HD13 LEU A 87 22.183 18.684 18.067 1.00 0.00 H new ATOM 0 HD21 LEU A 87 21.902 19.374 21.052 1.00 0.00 H new ATOM 0 HD22 LEU A 87 22.119 20.595 19.776 1.00 0.00 H new ATOM 0 HD23 LEU A 87 20.729 20.702 20.882 1.00 0.00 H new ATOM 1393 N GLU A 88 18.983 23.245 17.953 1.00 0.00 N ATOM 1394 CA GLU A 88 18.729 24.259 16.943 1.00 0.00 C ATOM 1395 C GLU A 88 19.367 23.848 15.621 1.00 0.00 C ATOM 1396 O GLU A 88 20.493 23.353 15.592 1.00 0.00 O ATOM 1397 CB GLU A 88 19.259 25.613 17.419 1.00 0.00 C ATOM 1398 CG GLU A 88 20.670 25.564 17.987 1.00 0.00 C ATOM 1399 CD GLU A 88 21.098 26.885 18.588 1.00 0.00 C ATOM 1400 OE1 GLU A 88 20.845 27.103 19.793 1.00 0.00 O ATOM 1401 OE2 GLU A 88 21.682 27.713 17.861 1.00 0.00 O ATOM 0 H GLU A 88 19.635 23.535 18.681 1.00 0.00 H new ATOM 0 HA GLU A 88 17.655 24.353 16.784 1.00 0.00 H new ATOM 0 HB2 GLU A 88 19.240 26.313 16.583 1.00 0.00 H new ATOM 0 HB3 GLU A 88 18.586 26.007 18.180 1.00 0.00 H new ATOM 0 HG2 GLU A 88 20.725 24.787 18.749 1.00 0.00 H new ATOM 0 HG3 GLU A 88 21.367 25.285 17.197 1.00 0.00 H new ATOM 1408 N HIS A 89 18.652 24.061 14.526 1.00 0.00 N ATOM 1409 CA HIS A 89 19.059 23.506 13.241 1.00 0.00 C ATOM 1410 C HIS A 89 19.825 24.523 12.400 1.00 0.00 C ATOM 1411 O HIS A 89 19.226 25.221 11.586 1.00 0.00 O ATOM 1412 CB HIS A 89 17.841 23.014 12.444 1.00 0.00 C ATOM 1413 CG HIS A 89 16.860 22.200 13.237 1.00 0.00 C ATOM 1414 ND1 HIS A 89 17.049 20.872 13.554 1.00 0.00 N ATOM 1415 CD2 HIS A 89 15.669 22.546 13.781 1.00 0.00 C ATOM 1416 CE1 HIS A 89 16.017 20.439 14.253 1.00 0.00 C ATOM 1417 NE2 HIS A 89 15.168 21.435 14.406 1.00 0.00 N ATOM 0 H HIS A 89 17.793 24.610 14.500 1.00 0.00 H new ATOM 0 HA HIS A 89 19.718 22.665 13.459 1.00 0.00 H new ATOM 0 HB2 HIS A 89 17.323 23.878 12.028 1.00 0.00 H new ATOM 0 HB3 HIS A 89 18.192 22.417 11.602 1.00 0.00 H new ATOM 0 HD2 HIS A 89 15.201 23.518 13.731 1.00 0.00 H new ATOM 0 HE1 HIS A 89 15.890 19.437 14.635 1.00 0.00 H new ATOM 0 HE2 HIS A 89 14.282 21.386 14.908 1.00 0.00 H new ATOM 1426 N HIS A 90 21.135 24.623 12.634 1.00 0.00 N ATOM 1427 CA HIS A 90 22.045 25.371 11.756 1.00 0.00 C ATOM 1428 C HIS A 90 21.588 26.824 11.555 1.00 0.00 C ATOM 1429 O HIS A 90 20.860 27.137 10.610 1.00 0.00 O ATOM 1430 CB HIS A 90 22.148 24.647 10.407 1.00 0.00 C ATOM 1431 CG HIS A 90 23.444 24.850 9.687 1.00 0.00 C ATOM 1432 ND1 HIS A 90 24.594 24.165 10.008 1.00 0.00 N ATOM 1433 CD2 HIS A 90 23.761 25.632 8.631 1.00 0.00 C ATOM 1434 CE1 HIS A 90 25.559 24.518 9.184 1.00 0.00 C ATOM 1435 NE2 HIS A 90 25.082 25.405 8.333 1.00 0.00 N ATOM 0 H HIS A 90 21.596 24.190 13.434 1.00 0.00 H new ATOM 0 HA HIS A 90 23.025 25.412 12.232 1.00 0.00 H new ATOM 0 HB2 HIS A 90 22.002 23.579 10.571 1.00 0.00 H new ATOM 0 HB3 HIS A 90 21.334 24.985 9.765 1.00 0.00 H new ATOM 0 HD2 HIS A 90 23.097 26.311 8.116 1.00 0.00 H new ATOM 0 HE1 HIS A 90 26.572 24.143 9.202 1.00 0.00 H new ATOM 0 HE2 HIS A 90 25.607 25.849 7.579 1.00 0.00 H new ATOM 1444 N HIS A 91 22.025 27.710 12.439 1.00 0.00 N ATOM 1445 CA HIS A 91 21.538 29.090 12.444 1.00 0.00 C ATOM 1446 C HIS A 91 22.396 30.026 11.597 1.00 0.00 C ATOM 1447 O HIS A 91 21.862 30.935 10.959 1.00 0.00 O ATOM 1448 CB HIS A 91 21.482 29.634 13.873 1.00 0.00 C ATOM 1449 CG HIS A 91 20.261 29.229 14.640 1.00 0.00 C ATOM 1450 ND1 HIS A 91 20.029 29.625 15.939 1.00 0.00 N ATOM 1451 CD2 HIS A 91 19.197 28.469 14.287 1.00 0.00 C ATOM 1452 CE1 HIS A 91 18.879 29.132 16.350 1.00 0.00 C ATOM 1453 NE2 HIS A 91 18.351 28.424 15.370 1.00 0.00 N ATOM 0 H HIS A 91 22.714 27.503 13.162 1.00 0.00 H new ATOM 0 HA HIS A 91 20.540 29.060 12.007 1.00 0.00 H new ATOM 0 HB2 HIS A 91 22.365 29.294 14.413 1.00 0.00 H new ATOM 0 HB3 HIS A 91 21.530 30.722 13.837 1.00 0.00 H new ATOM 0 HD2 HIS A 91 19.042 27.988 13.333 1.00 0.00 H new ATOM 0 HE1 HIS A 91 18.441 29.282 17.326 1.00 0.00 H new ATOM 0 HE2 HIS A 91 17.462 27.926 15.409 1.00 0.00 H new ATOM 1462 N HIS A 92 23.711 29.801 11.589 1.00 0.00 N ATOM 1463 CA HIS A 92 24.662 30.757 11.009 1.00 0.00 C ATOM 1464 C HIS A 92 24.583 32.088 11.754 1.00 0.00 C ATOM 1465 O HIS A 92 25.319 32.307 12.713 1.00 0.00 O ATOM 1466 CB HIS A 92 24.417 30.977 9.511 1.00 0.00 C ATOM 1467 CG HIS A 92 25.211 30.092 8.607 1.00 0.00 C ATOM 1468 ND1 HIS A 92 25.712 30.525 7.400 1.00 0.00 N ATOM 1469 CD2 HIS A 92 25.579 28.794 8.719 1.00 0.00 C ATOM 1470 CE1 HIS A 92 26.351 29.538 6.809 1.00 0.00 C ATOM 1471 NE2 HIS A 92 26.289 28.476 7.588 1.00 0.00 N ATOM 0 H HIS A 92 24.145 28.964 11.978 1.00 0.00 H new ATOM 0 HA HIS A 92 25.661 30.334 11.118 1.00 0.00 H new ATOM 0 HB2 HIS A 92 23.357 30.825 9.305 1.00 0.00 H new ATOM 0 HB3 HIS A 92 24.643 32.016 9.269 1.00 0.00 H new ATOM 0 HD2 HIS A 92 25.356 28.133 9.543 1.00 0.00 H new ATOM 0 HE1 HIS A 92 26.843 29.589 5.849 1.00 0.00 H new ATOM 0 HE2 HIS A 92 26.702 27.566 7.383 1.00 0.00 H new ATOM 1480 N HIS A 93 23.681 32.965 11.324 1.00 0.00 N ATOM 1481 CA HIS A 93 23.419 34.198 12.057 1.00 0.00 C ATOM 1482 C HIS A 93 21.939 34.574 11.994 1.00 0.00 C ATOM 1483 O HIS A 93 21.571 35.734 12.173 1.00 0.00 O ATOM 1484 CB HIS A 93 24.313 35.354 11.571 1.00 0.00 C ATOM 1485 CG HIS A 93 24.177 35.717 10.123 1.00 0.00 C ATOM 1486 ND1 HIS A 93 25.065 35.297 9.161 1.00 0.00 N ATOM 1487 CD2 HIS A 93 23.281 36.506 9.486 1.00 0.00 C ATOM 1488 CE1 HIS A 93 24.725 35.814 7.996 1.00 0.00 C ATOM 1489 NE2 HIS A 93 23.645 36.553 8.164 1.00 0.00 N ATOM 0 H HIS A 93 23.123 32.846 10.478 1.00 0.00 H new ATOM 0 HA HIS A 93 23.672 34.014 13.101 1.00 0.00 H new ATOM 0 HB2 HIS A 93 24.091 36.237 12.170 1.00 0.00 H new ATOM 0 HB3 HIS A 93 25.353 35.091 11.764 1.00 0.00 H new ATOM 0 HD2 HIS A 93 22.436 37.006 9.935 1.00 0.00 H new ATOM 0 HE1 HIS A 93 25.244 35.658 7.062 1.00 0.00 H new ATOM 0 HE2 HIS A 93 23.161 37.073 7.432 1.00 0.00 H new ATOM 1498 N HIS A 94 21.091 33.582 11.736 1.00 0.00 N ATOM 1499 CA HIS A 94 19.648 33.749 11.882 1.00 0.00 C ATOM 1500 C HIS A 94 18.997 32.422 12.280 1.00 0.00 C ATOM 1501 O HIS A 94 18.307 31.797 11.449 1.00 0.00 O ATOM 1502 CB HIS A 94 18.982 34.360 10.625 1.00 0.00 C ATOM 1503 CG HIS A 94 19.260 33.675 9.313 1.00 0.00 C ATOM 1504 ND1 HIS A 94 18.952 32.359 9.059 1.00 0.00 N ATOM 1505 CD2 HIS A 94 19.767 34.163 8.158 1.00 0.00 C ATOM 1506 CE1 HIS A 94 19.254 32.064 7.813 1.00 0.00 C ATOM 1507 NE2 HIS A 94 19.751 33.142 7.241 1.00 0.00 N ATOM 1508 OXT HIS A 94 19.201 32.003 13.433 1.00 0.00 O ATOM 0 H HIS A 94 21.378 32.654 11.425 1.00 0.00 H new ATOM 0 HA HIS A 94 19.485 34.470 12.683 1.00 0.00 H new ATOM 0 HB2 HIS A 94 17.903 34.370 10.782 1.00 0.00 H new ATOM 0 HB3 HIS A 94 19.302 35.399 10.541 1.00 0.00 H new ATOM 0 HD1 HIS A 94 18.550 31.709 9.735 1.00 0.00 H new ATOM 0 HD2 HIS A 94 20.119 35.170 7.989 1.00 0.00 H new ATOM 0 HE1 HIS A 94 19.118 31.103 7.340 1.00 0.00 H new TER 1517 HIS A 94