USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 589 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 66 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 152:sc= -0.671 (180deg=-2.09!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.11) USER MOD Single : A 61 GLN : amide:sc= 1.12 K(o=1.1,f=-0.0024) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0694) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -152:sc= 0 (180deg=-0.301) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 37:sc= 1.24 USER MOD Single : A 87 LYS NZ :NH3+ -114:sc= 0.0145 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 31 -14.833 16.535 -12.725 1.00 0.00 N ATOM 2 CA PHE A 31 -13.825 15.589 -13.253 1.00 0.00 C ATOM 3 C PHE A 31 -13.261 14.737 -12.116 1.00 0.00 C ATOM 4 O PHE A 31 -13.376 15.130 -10.957 1.00 0.00 O ATOM 5 CB PHE A 31 -12.714 16.300 -14.045 1.00 0.00 C ATOM 6 CG PHE A 31 -11.902 17.304 -13.237 1.00 0.00 C ATOM 7 CD1 PHE A 31 -10.827 16.872 -12.429 1.00 0.00 C ATOM 8 CD2 PHE A 31 -12.214 18.677 -13.300 1.00 0.00 C ATOM 9 CE1 PHE A 31 -10.080 17.806 -11.684 1.00 0.00 C ATOM 10 CE2 PHE A 31 -11.463 19.611 -12.563 1.00 0.00 C ATOM 11 CZ PHE A 31 -10.401 19.173 -11.751 1.00 0.00 C ATOM 0 HA PHE A 31 -14.322 14.929 -13.964 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -12.037 15.548 -14.451 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -13.164 16.815 -14.894 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -10.577 15.822 -12.382 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -13.034 19.014 -13.917 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.262 17.472 -11.063 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -11.702 20.663 -12.621 1.00 0.00 H new ATOM 0 HZ PHE A 31 -9.831 19.889 -11.178 1.00 0.00 H new ATOM 21 N ASN A 32 -12.638 13.591 -12.425 1.00 0.00 N ATOM 22 CA ASN A 32 -12.269 12.556 -11.436 1.00 0.00 C ATOM 23 C ASN A 32 -10.744 12.304 -11.416 1.00 0.00 C ATOM 24 O ASN A 32 -10.035 12.781 -12.306 1.00 0.00 O ATOM 25 CB ASN A 32 -13.050 11.254 -11.757 1.00 0.00 C ATOM 26 CG ASN A 32 -14.546 11.446 -11.996 1.00 0.00 C ATOM 27 OD1 ASN A 32 -15.192 12.358 -11.491 1.00 0.00 O ATOM 28 ND2 ASN A 32 -15.142 10.626 -12.836 1.00 0.00 N ATOM 0 H ASN A 32 -12.371 13.349 -13.379 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.539 12.905 -10.439 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -12.611 10.793 -12.642 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -12.915 10.554 -10.933 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.129 10.754 -13.059 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -14.617 9.863 -13.263 1.00 0.00 H new ATOM 35 N VAL A 33 -10.229 11.563 -10.420 1.00 0.00 N ATOM 36 CA VAL A 33 -8.775 11.435 -10.163 1.00 0.00 C ATOM 37 C VAL A 33 -8.218 10.044 -10.481 1.00 0.00 C ATOM 38 O VAL A 33 -7.187 9.935 -11.143 1.00 0.00 O ATOM 39 CB VAL A 33 -8.453 11.749 -8.682 1.00 0.00 C ATOM 40 CG1 VAL A 33 -6.940 11.860 -8.433 1.00 0.00 C ATOM 41 CG2 VAL A 33 -9.104 13.051 -8.203 1.00 0.00 C ATOM 0 H VAL A 33 -10.806 11.033 -9.767 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.300 12.153 -10.831 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.863 10.910 -8.119 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.760 12.081 -7.381 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.458 10.918 -8.693 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.528 12.660 -9.048 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.846 13.224 -7.158 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.743 13.882 -8.808 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.187 12.974 -8.302 1.00 0.00 H new ATOM 51 N SER A 34 -8.907 8.995 -10.031 1.00 0.00 N ATOM 52 CA SER A 34 -8.417 7.613 -10.028 1.00 0.00 C ATOM 53 C SER A 34 -9.574 6.643 -10.271 1.00 0.00 C ATOM 54 O SER A 34 -10.700 6.938 -9.877 1.00 0.00 O ATOM 55 CB SER A 34 -7.812 7.255 -8.660 1.00 0.00 C ATOM 56 OG SER A 34 -6.982 8.264 -8.122 1.00 0.00 O ATOM 0 H SER A 34 -9.848 9.084 -9.647 1.00 0.00 H new ATOM 0 HA SER A 34 -7.665 7.532 -10.813 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.620 7.050 -7.958 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.234 6.336 -8.758 1.00 0.00 H new ATOM 0 HG SER A 34 -6.633 7.972 -7.254 1.00 0.00 H new ATOM 62 N ASN A 35 -9.282 5.475 -10.856 1.00 0.00 N ATOM 63 CA ASN A 35 -10.285 4.439 -11.169 1.00 0.00 C ATOM 64 C ASN A 35 -9.995 3.066 -10.546 1.00 0.00 C ATOM 65 O ASN A 35 -10.945 2.309 -10.352 1.00 0.00 O ATOM 66 CB ASN A 35 -10.436 4.309 -12.692 1.00 0.00 C ATOM 67 CG ASN A 35 -11.087 5.523 -13.311 1.00 0.00 C ATOM 68 OD1 ASN A 35 -12.272 5.775 -13.156 1.00 0.00 O ATOM 69 ND2 ASN A 35 -10.336 6.333 -14.030 1.00 0.00 N ATOM 0 H ASN A 35 -8.334 5.216 -11.130 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.218 4.774 -10.716 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.454 4.158 -13.140 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.030 3.425 -12.921 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.745 7.166 -14.454 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.346 6.127 -14.163 1.00 0.00 H new ATOM 76 N ALA A 36 -8.737 2.734 -10.208 1.00 0.00 N ATOM 77 CA ALA A 36 -8.443 1.548 -9.395 1.00 0.00 C ATOM 78 C ALA A 36 -8.913 1.759 -7.938 1.00 0.00 C ATOM 79 O ALA A 36 -9.657 0.948 -7.403 1.00 0.00 O ATOM 80 CB ALA A 36 -6.935 1.233 -9.449 1.00 0.00 C ATOM 0 H ALA A 36 -7.914 3.269 -10.485 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.988 0.696 -9.802 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.726 0.352 -8.843 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.640 1.043 -10.481 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.372 2.082 -9.061 1.00 0.00 H new ATOM 86 N GLU A 37 -8.461 2.854 -7.328 1.00 0.00 N ATOM 87 CA GLU A 37 -8.783 3.282 -5.963 1.00 0.00 C ATOM 88 C GLU A 37 -8.283 4.726 -5.783 1.00 0.00 C ATOM 89 O GLU A 37 -7.353 5.162 -6.469 1.00 0.00 O ATOM 90 CB GLU A 37 -8.103 2.313 -4.970 1.00 0.00 C ATOM 91 CG GLU A 37 -8.284 2.588 -3.475 1.00 0.00 C ATOM 92 CD GLU A 37 -9.753 2.717 -3.069 1.00 0.00 C ATOM 93 OE1 GLU A 37 -10.237 3.879 -3.113 1.00 0.00 O ATOM 94 OE2 GLU A 37 -10.356 1.698 -2.680 1.00 0.00 O ATOM 0 H GLU A 37 -7.827 3.502 -7.795 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.857 3.261 -5.776 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.473 1.308 -5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.034 2.308 -5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.823 1.782 -2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.758 3.506 -3.213 1.00 0.00 H new ATOM 101 N LEU A 38 -8.856 5.461 -4.828 1.00 0.00 N ATOM 102 CA LEU A 38 -8.374 6.762 -4.359 1.00 0.00 C ATOM 103 C LEU A 38 -7.845 6.674 -2.917 1.00 0.00 C ATOM 104 O LEU A 38 -6.850 7.330 -2.608 1.00 0.00 O ATOM 105 CB LEU A 38 -9.483 7.822 -4.543 1.00 0.00 C ATOM 106 CG LEU A 38 -9.061 9.274 -4.207 1.00 0.00 C ATOM 107 CD1 LEU A 38 -9.805 10.286 -5.083 1.00 0.00 C ATOM 108 CD2 LEU A 38 -9.355 9.672 -2.754 1.00 0.00 C ATOM 0 H LEU A 38 -9.699 5.156 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.522 7.076 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.828 7.790 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.332 7.551 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.986 9.294 -4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.487 11.296 -4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.580 10.094 -6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.878 10.190 -4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.035 10.700 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.425 9.589 -2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.814 9.009 -2.079 1.00 0.00 H new ATOM 120 N ILE A 39 -8.411 5.818 -2.049 1.00 0.00 N ATOM 121 CA ILE A 39 -7.985 5.714 -0.637 1.00 0.00 C ATOM 122 C ILE A 39 -6.507 5.333 -0.444 1.00 0.00 C ATOM 123 O ILE A 39 -5.880 5.858 0.480 1.00 0.00 O ATOM 124 CB ILE A 39 -8.938 4.890 0.243 1.00 0.00 C ATOM 125 CG1 ILE A 39 -8.881 3.361 0.067 1.00 0.00 C ATOM 126 CG2 ILE A 39 -10.393 5.381 0.134 1.00 0.00 C ATOM 127 CD1 ILE A 39 -8.936 2.719 1.447 1.00 0.00 C ATOM 0 H ILE A 39 -9.169 5.183 -2.300 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.060 6.737 -0.269 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.556 5.072 1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.715 3.018 -0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.966 3.072 -0.450 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.032 4.770 0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.451 6.422 0.452 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.728 5.299 -0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.897 1.634 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.087 3.059 2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.863 3.004 1.944 1.00 0.00 H new ATOM 139 N VAL A 40 -5.905 4.549 -1.359 1.00 0.00 N ATOM 140 CA VAL A 40 -4.454 4.237 -1.352 1.00 0.00 C ATOM 141 C VAL A 40 -3.567 5.487 -1.395 1.00 0.00 C ATOM 142 O VAL A 40 -2.453 5.455 -0.877 1.00 0.00 O ATOM 143 CB VAL A 40 -4.013 3.267 -2.477 1.00 0.00 C ATOM 144 CG1 VAL A 40 -4.597 1.867 -2.270 1.00 0.00 C ATOM 145 CG2 VAL A 40 -4.330 3.748 -3.904 1.00 0.00 C ATOM 0 H VAL A 40 -6.410 4.110 -2.129 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.310 3.734 -0.396 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.927 3.237 -2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.268 1.212 -3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.254 1.467 -1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.686 1.923 -2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.985 3.005 -4.623 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.406 3.885 -4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.824 4.695 -4.090 1.00 0.00 H new ATOM 155 N MET A 41 -4.064 6.593 -1.954 1.00 0.00 N ATOM 156 CA MET A 41 -3.359 7.880 -1.995 1.00 0.00 C ATOM 157 C MET A 41 -3.686 8.786 -0.797 1.00 0.00 C ATOM 158 O MET A 41 -3.246 9.932 -0.783 1.00 0.00 O ATOM 159 CB MET A 41 -3.638 8.588 -3.334 1.00 0.00 C ATOM 160 CG MET A 41 -3.104 7.835 -4.562 1.00 0.00 C ATOM 161 SD MET A 41 -1.368 8.108 -5.042 1.00 0.00 S ATOM 162 CE MET A 41 -0.421 7.334 -3.700 1.00 0.00 C ATOM 0 H MET A 41 -4.982 6.622 -2.398 1.00 0.00 H new ATOM 0 HA MET A 41 -2.292 7.670 -1.919 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.714 8.725 -3.444 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.192 9.582 -3.308 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.238 6.768 -4.384 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.732 8.097 -5.414 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.542 6.996 -4.082 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.260 8.060 -2.903 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.976 6.481 -3.308 1.00 0.00 H new ATOM 172 N ARG A 42 -4.408 8.299 0.227 1.00 0.00 N ATOM 173 CA ARG A 42 -4.713 9.056 1.459 1.00 0.00 C ATOM 174 C ARG A 42 -4.229 8.358 2.730 1.00 0.00 C ATOM 175 O ARG A 42 -3.582 9.034 3.526 1.00 0.00 O ATOM 176 CB ARG A 42 -6.218 9.398 1.490 1.00 0.00 C ATOM 177 CG ARG A 42 -6.582 10.563 2.436 1.00 0.00 C ATOM 178 CD ARG A 42 -6.781 10.183 3.914 1.00 0.00 C ATOM 179 NE ARG A 42 -7.045 11.368 4.759 1.00 0.00 N ATOM 180 CZ ARG A 42 -8.208 11.961 4.989 1.00 0.00 C ATOM 181 NH1 ARG A 42 -9.340 11.532 4.502 1.00 0.00 N ATOM 182 NH2 ARG A 42 -8.230 12.994 5.779 1.00 0.00 N ATOM 0 H ARG A 42 -4.802 7.358 0.225 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.149 9.989 1.437 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.543 9.649 0.480 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.775 8.511 1.793 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.796 11.315 2.376 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.498 11.029 2.073 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.613 9.484 4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.892 9.668 4.279 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.234 11.779 5.221 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.359 10.700 3.912 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.206 12.028 4.712 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.366 13.329 6.205 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.112 13.469 5.973 1.00 0.00 H new ATOM 196 N VAL A 43 -4.445 7.039 2.897 1.00 0.00 N ATOM 197 CA VAL A 43 -3.960 6.293 4.090 1.00 0.00 C ATOM 198 C VAL A 43 -2.477 6.571 4.339 1.00 0.00 C ATOM 199 O VAL A 43 -2.105 7.159 5.351 1.00 0.00 O ATOM 200 CB VAL A 43 -4.259 4.755 4.049 1.00 0.00 C ATOM 201 CG1 VAL A 43 -4.426 4.161 2.645 1.00 0.00 C ATOM 202 CG2 VAL A 43 -3.217 3.855 4.741 1.00 0.00 C ATOM 0 H VAL A 43 -4.951 6.462 2.225 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.536 6.672 4.935 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.202 4.743 4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.630 3.093 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.257 4.652 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.511 4.315 2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.522 2.812 4.653 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.246 3.991 4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.146 4.125 5.795 1.00 0.00 H new ATOM 212 N ILE A 44 -1.642 6.223 3.362 1.00 0.00 N ATOM 213 CA ILE A 44 -0.186 6.193 3.532 1.00 0.00 C ATOM 214 C ILE A 44 0.387 7.590 3.722 1.00 0.00 C ATOM 215 O ILE A 44 1.205 7.813 4.608 1.00 0.00 O ATOM 216 CB ILE A 44 0.435 5.507 2.302 1.00 0.00 C ATOM 217 CG1 ILE A 44 -0.062 4.046 2.229 1.00 0.00 C ATOM 218 CG2 ILE A 44 1.965 5.616 2.389 1.00 0.00 C ATOM 219 CD1 ILE A 44 0.268 3.370 0.896 1.00 0.00 C ATOM 0 H ILE A 44 -1.953 5.953 2.429 1.00 0.00 H new ATOM 0 HA ILE A 44 0.057 5.631 4.434 1.00 0.00 H new ATOM 0 HB ILE A 44 0.126 5.997 1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.386 3.474 3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.141 4.027 2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.414 5.133 1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.254 6.667 2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.314 5.126 3.298 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.106 2.346 0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.203 3.921 0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.348 3.360 0.751 1.00 0.00 H new ATOM 231 N TRP A 45 -0.093 8.529 2.914 1.00 0.00 N ATOM 232 CA TRP A 45 0.330 9.935 2.959 1.00 0.00 C ATOM 233 C TRP A 45 -0.027 10.614 4.296 1.00 0.00 C ATOM 234 O TRP A 45 0.705 11.481 4.773 1.00 0.00 O ATOM 235 CB TRP A 45 -0.302 10.663 1.761 1.00 0.00 C ATOM 236 CG TRP A 45 -0.194 12.154 1.821 1.00 0.00 C ATOM 237 CD1 TRP A 45 -1.204 12.981 2.166 1.00 0.00 C ATOM 238 CD2 TRP A 45 0.976 13.010 1.634 1.00 0.00 C ATOM 239 NE1 TRP A 45 -0.743 14.277 2.243 1.00 0.00 N ATOM 240 CE2 TRP A 45 0.597 14.358 1.916 1.00 0.00 C ATOM 241 CE3 TRP A 45 2.325 12.784 1.274 1.00 0.00 C ATOM 242 CZ2 TRP A 45 1.505 15.425 1.849 1.00 0.00 C ATOM 243 CZ3 TRP A 45 3.247 13.849 1.211 1.00 0.00 C ATOM 244 CH2 TRP A 45 2.842 15.168 1.494 1.00 0.00 C ATOM 0 H TRP A 45 -0.795 8.339 2.199 1.00 0.00 H new ATOM 0 HA TRP A 45 1.417 9.985 2.892 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.174 10.312 0.845 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -1.355 10.389 1.698 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.222 12.672 2.354 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.319 15.076 2.508 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.654 11.781 1.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 1.182 16.432 2.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.274 13.651 0.943 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.554 15.978 1.439 1.00 0.00 H new ATOM 255 N SER A 46 -1.114 10.165 4.924 1.00 0.00 N ATOM 256 CA SER A 46 -1.550 10.692 6.229 1.00 0.00 C ATOM 257 C SER A 46 -0.721 10.110 7.372 1.00 0.00 C ATOM 258 O SER A 46 -0.328 10.817 8.306 1.00 0.00 O ATOM 259 CB SER A 46 -3.026 10.389 6.443 1.00 0.00 C ATOM 260 OG SER A 46 -3.446 10.990 7.643 1.00 0.00 O ATOM 0 H SER A 46 -1.717 9.432 4.551 1.00 0.00 H new ATOM 0 HA SER A 46 -1.399 11.771 6.225 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.613 10.767 5.606 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.187 9.312 6.484 1.00 0.00 H new ATOM 0 HG SER A 46 -4.397 10.801 7.788 1.00 0.00 H new ATOM 266 N LEU A 47 -0.422 8.813 7.269 1.00 0.00 N ATOM 267 CA LEU A 47 0.413 8.057 8.186 1.00 0.00 C ATOM 268 C LEU A 47 1.877 8.530 8.202 1.00 0.00 C ATOM 269 O LEU A 47 2.415 8.897 9.242 1.00 0.00 O ATOM 270 CB LEU A 47 0.300 6.599 7.741 1.00 0.00 C ATOM 271 CG LEU A 47 0.450 5.638 8.916 1.00 0.00 C ATOM 272 CD1 LEU A 47 -0.837 5.590 9.735 1.00 0.00 C ATOM 273 CD2 LEU A 47 0.686 4.284 8.295 1.00 0.00 C ATOM 0 H LEU A 47 -0.777 8.239 6.504 1.00 0.00 H new ATOM 0 HA LEU A 47 0.073 8.199 9.212 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.665 6.439 7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.066 6.385 6.996 1.00 0.00 H new ATOM 0 HG LEU A 47 1.258 5.946 9.580 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.712 4.900 10.569 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.062 6.585 10.118 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.658 5.251 9.103 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.804 3.539 9.081 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.165 4.018 7.668 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.590 4.315 7.687 1.00 0.00 H new ATOM 285 N GLY A 48 2.513 8.506 7.034 1.00 0.00 N ATOM 286 CA GLY A 48 3.918 8.837 6.784 1.00 0.00 C ATOM 287 C GLY A 48 4.571 7.734 5.957 1.00 0.00 C ATOM 288 O GLY A 48 4.860 7.924 4.777 1.00 0.00 O ATOM 0 H GLY A 48 2.030 8.237 6.177 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.988 9.789 6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.447 8.956 7.730 1.00 0.00 H new ATOM 292 N GLU A 49 4.711 6.550 6.553 1.00 0.00 N ATOM 293 CA GLU A 49 5.122 5.315 5.890 1.00 0.00 C ATOM 294 C GLU A 49 4.443 4.110 6.565 1.00 0.00 C ATOM 295 O GLU A 49 4.112 4.170 7.749 1.00 0.00 O ATOM 296 CB GLU A 49 6.654 5.219 5.851 1.00 0.00 C ATOM 297 CG GLU A 49 7.400 4.994 7.181 1.00 0.00 C ATOM 298 CD GLU A 49 8.893 5.403 7.132 1.00 0.00 C ATOM 299 OE1 GLU A 49 9.314 6.200 6.260 1.00 0.00 O ATOM 300 OE2 GLU A 49 9.691 4.861 7.933 1.00 0.00 O ATOM 0 H GLU A 49 4.534 6.421 7.549 1.00 0.00 H new ATOM 0 HA GLU A 49 4.792 5.315 4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.920 4.405 5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.035 6.138 5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.902 5.561 7.967 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.329 3.941 7.454 1.00 0.00 H new ATOM 307 N ALA A 50 4.209 3.027 5.813 1.00 0.00 N ATOM 308 CA ALA A 50 3.353 1.905 6.222 1.00 0.00 C ATOM 309 C ALA A 50 3.911 0.532 5.800 1.00 0.00 C ATOM 310 O ALA A 50 4.577 0.411 4.772 1.00 0.00 O ATOM 311 CB ALA A 50 1.985 2.137 5.565 1.00 0.00 C ATOM 0 H ALA A 50 4.617 2.903 4.886 1.00 0.00 H new ATOM 0 HA ALA A 50 3.293 1.879 7.310 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.308 1.327 5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.573 3.086 5.908 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.101 2.163 4.482 1.00 0.00 H new ATOM 317 N ARG A 51 3.623 -0.538 6.556 1.00 0.00 N ATOM 318 CA ARG A 51 3.987 -1.918 6.150 1.00 0.00 C ATOM 319 C ARG A 51 2.921 -2.489 5.207 1.00 0.00 C ATOM 320 O ARG A 51 1.799 -2.004 5.186 1.00 0.00 O ATOM 321 CB ARG A 51 4.121 -2.850 7.372 1.00 0.00 C ATOM 322 CG ARG A 51 5.228 -2.467 8.360 1.00 0.00 C ATOM 323 CD ARG A 51 6.634 -2.656 7.776 1.00 0.00 C ATOM 324 NE ARG A 51 7.705 -2.383 8.757 1.00 0.00 N ATOM 325 CZ ARG A 51 8.191 -3.200 9.675 1.00 0.00 C ATOM 326 NH1 ARG A 51 7.666 -4.353 9.975 1.00 0.00 N ATOM 327 NH2 ARG A 51 9.255 -2.889 10.333 1.00 0.00 N ATOM 0 H ARG A 51 3.140 -0.482 7.452 1.00 0.00 H new ATOM 0 HA ARG A 51 4.950 -1.866 5.642 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.170 -2.866 7.904 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.306 -3.864 7.018 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.100 -1.426 8.658 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.129 -3.071 9.262 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.736 -3.678 7.410 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.757 -1.996 6.918 1.00 0.00 H new ATOM 0 HE ARG A 51 8.119 -1.452 8.721 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.828 -4.674 9.490 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.093 -4.936 10.695 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.730 -2.006 10.147 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.622 -3.526 11.040 1.00 0.00 H new ATOM 341 N VAL A 52 3.215 -3.566 4.477 1.00 0.00 N ATOM 342 CA VAL A 52 2.211 -4.205 3.595 1.00 0.00 C ATOM 343 C VAL A 52 0.944 -4.699 4.309 1.00 0.00 C ATOM 344 O VAL A 52 -0.157 -4.690 3.775 1.00 0.00 O ATOM 345 CB VAL A 52 2.802 -5.288 2.675 1.00 0.00 C ATOM 346 CG1 VAL A 52 4.231 -5.655 3.082 1.00 0.00 C ATOM 347 CG2 VAL A 52 1.976 -6.566 2.602 1.00 0.00 C ATOM 0 H VAL A 52 4.129 -4.018 4.472 1.00 0.00 H new ATOM 0 HA VAL A 52 1.884 -3.385 2.956 1.00 0.00 H new ATOM 0 HB VAL A 52 2.793 -4.833 1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.615 -6.422 2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.865 -4.770 3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.232 -6.034 4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.462 -7.276 1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.893 -7.003 3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.980 -6.335 2.224 1.00 0.00 H new ATOM 357 N ASP A 53 1.140 -5.261 5.493 1.00 0.00 N ATOM 358 CA ASP A 53 0.076 -5.686 6.396 1.00 0.00 C ATOM 359 C ASP A 53 -0.655 -4.479 7.027 1.00 0.00 C ATOM 360 O ASP A 53 -1.825 -4.584 7.364 1.00 0.00 O ATOM 361 CB ASP A 53 0.800 -6.665 7.329 1.00 0.00 C ATOM 362 CG ASP A 53 0.121 -6.992 8.647 1.00 0.00 C ATOM 363 OD1 ASP A 53 -0.800 -7.818 8.628 1.00 0.00 O ATOM 364 OD2 ASP A 53 0.656 -6.557 9.699 1.00 0.00 O ATOM 0 H ASP A 53 2.073 -5.440 5.865 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.772 -6.191 5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.954 -7.598 6.787 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.787 -6.257 7.548 1.00 0.00 H new ATOM 369 N GLU A 54 -0.010 -3.310 7.093 1.00 0.00 N ATOM 370 CA GLU A 54 -0.610 -2.055 7.578 1.00 0.00 C ATOM 371 C GLU A 54 -1.555 -1.437 6.540 1.00 0.00 C ATOM 372 O GLU A 54 -2.728 -1.189 6.805 1.00 0.00 O ATOM 373 CB GLU A 54 0.502 -1.050 7.930 1.00 0.00 C ATOM 374 CG GLU A 54 0.268 -0.213 9.194 1.00 0.00 C ATOM 375 CD GLU A 54 -0.996 0.659 9.210 1.00 0.00 C ATOM 376 OE1 GLU A 54 -1.396 1.168 8.142 1.00 0.00 O ATOM 377 OE2 GLU A 54 -1.539 0.838 10.327 1.00 0.00 O ATOM 0 H GLU A 54 0.963 -3.204 6.806 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.197 -2.288 8.467 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.437 -1.598 8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.633 -0.372 7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.228 -0.888 10.049 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.132 0.435 9.340 1.00 0.00 H new ATOM 384 N ILE A 55 -1.061 -1.265 5.309 1.00 0.00 N ATOM 385 CA ILE A 55 -1.840 -0.664 4.208 1.00 0.00 C ATOM 386 C ILE A 55 -3.126 -1.436 3.936 1.00 0.00 C ATOM 387 O ILE A 55 -4.180 -0.827 3.809 1.00 0.00 O ATOM 388 CB ILE A 55 -1.010 -0.537 2.918 1.00 0.00 C ATOM 389 CG1 ILE A 55 -0.449 -1.906 2.518 1.00 0.00 C ATOM 390 CG2 ILE A 55 0.122 0.465 3.124 1.00 0.00 C ATOM 391 CD1 ILE A 55 0.676 -1.870 1.514 1.00 0.00 C ATOM 0 H ILE A 55 -0.114 -1.536 5.043 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.110 0.340 4.535 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.652 -0.177 2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.097 -2.413 3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.260 -2.508 2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.705 0.549 2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.296 1.439 3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.767 0.124 3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.003 -2.887 1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.329 -1.397 0.596 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.510 -1.300 1.923 1.00 0.00 H new ATOM 403 N TYR A 56 -3.066 -2.770 3.903 1.00 0.00 N ATOM 404 CA TYR A 56 -4.222 -3.643 3.830 1.00 0.00 C ATOM 405 C TYR A 56 -5.162 -3.547 5.032 1.00 0.00 C ATOM 406 O TYR A 56 -6.372 -3.623 4.858 1.00 0.00 O ATOM 407 CB TYR A 56 -3.667 -5.049 3.720 1.00 0.00 C ATOM 408 CG TYR A 56 -4.740 -6.081 3.488 1.00 0.00 C ATOM 409 CD1 TYR A 56 -5.446 -6.085 2.273 1.00 0.00 C ATOM 410 CD2 TYR A 56 -5.010 -7.030 4.481 1.00 0.00 C ATOM 411 CE1 TYR A 56 -6.446 -7.049 2.048 1.00 0.00 C ATOM 412 CE2 TYR A 56 -6.024 -7.988 4.272 1.00 0.00 C ATOM 413 CZ TYR A 56 -6.727 -8.008 3.041 1.00 0.00 C ATOM 414 OH TYR A 56 -7.603 -9.008 2.761 1.00 0.00 O ATOM 0 H TYR A 56 -2.182 -3.279 3.927 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.834 -3.349 2.977 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -2.948 -5.088 2.902 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.125 -5.294 4.633 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.222 -5.350 1.514 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.445 -7.029 5.402 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.996 -7.054 1.118 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.264 -8.702 5.046 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.694 -9.592 3.543 1.00 0.00 H new ATOM 424 N ALA A 57 -4.631 -3.314 6.227 1.00 0.00 N ATOM 425 CA ALA A 57 -5.464 -3.146 7.419 1.00 0.00 C ATOM 426 C ALA A 57 -6.381 -1.917 7.335 1.00 0.00 C ATOM 427 O ALA A 57 -7.407 -1.864 8.010 1.00 0.00 O ATOM 428 CB ALA A 57 -4.578 -3.046 8.656 1.00 0.00 C ATOM 0 H ALA A 57 -3.629 -3.237 6.399 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.109 -4.022 7.486 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.202 -2.921 9.541 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.987 -3.956 8.754 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.912 -2.189 8.558 1.00 0.00 H new ATOM 434 N GLN A 58 -6.012 -0.923 6.519 1.00 0.00 N ATOM 435 CA GLN A 58 -6.799 0.284 6.304 1.00 0.00 C ATOM 436 C GLN A 58 -7.942 0.097 5.282 1.00 0.00 C ATOM 437 O GLN A 58 -8.871 0.908 5.240 1.00 0.00 O ATOM 438 CB GLN A 58 -5.798 1.363 5.858 1.00 0.00 C ATOM 439 CG GLN A 58 -5.705 2.546 6.815 1.00 0.00 C ATOM 440 CD GLN A 58 -5.469 2.176 8.267 1.00 0.00 C ATOM 441 OE1 GLN A 58 -6.256 2.535 9.138 1.00 0.00 O ATOM 442 NE2 GLN A 58 -4.384 1.493 8.571 1.00 0.00 N ATOM 0 H GLN A 58 -5.144 -0.941 5.984 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.314 0.567 7.222 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.811 0.911 5.756 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.085 1.727 4.871 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.896 3.198 6.485 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.628 3.123 6.747 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.741 1.203 7.834 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.187 1.254 9.543 1.00 0.00 H new ATOM 451 N ILE A 59 -7.856 -0.956 4.462 1.00 0.00 N ATOM 452 CA ILE A 59 -8.788 -1.334 3.385 1.00 0.00 C ATOM 453 C ILE A 59 -9.999 -2.127 3.949 1.00 0.00 C ATOM 454 O ILE A 59 -9.843 -3.274 4.372 1.00 0.00 O ATOM 455 CB ILE A 59 -7.986 -2.115 2.314 1.00 0.00 C ATOM 456 CG1 ILE A 59 -6.902 -1.162 1.756 1.00 0.00 C ATOM 457 CG2 ILE A 59 -8.838 -2.669 1.167 1.00 0.00 C ATOM 458 CD1 ILE A 59 -6.029 -1.742 0.652 1.00 0.00 C ATOM 0 H ILE A 59 -7.081 -1.615 4.535 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.220 -0.450 2.916 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.555 -2.992 2.797 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.391 -0.265 1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.259 -0.850 2.578 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.198 -3.201 0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.586 -3.354 1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.337 -1.847 0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.303 -0.995 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.504 -2.620 1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.654 -2.027 -0.194 1.00 0.00 H new ATOM 470 N PRO A 60 -11.220 -1.550 3.991 1.00 0.00 N ATOM 471 CA PRO A 60 -12.389 -2.219 4.569 1.00 0.00 C ATOM 472 C PRO A 60 -12.921 -3.343 3.665 1.00 0.00 C ATOM 473 O PRO A 60 -12.874 -3.254 2.435 1.00 0.00 O ATOM 474 CB PRO A 60 -13.428 -1.108 4.757 1.00 0.00 C ATOM 475 CG PRO A 60 -13.100 -0.119 3.642 1.00 0.00 C ATOM 476 CD PRO A 60 -11.581 -0.221 3.515 1.00 0.00 C ATOM 0 HA PRO A 60 -12.141 -2.711 5.509 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -14.445 -1.490 4.668 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -13.347 -0.645 5.740 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.600 -0.383 2.710 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.415 0.893 3.897 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.267 -0.080 2.481 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -11.089 0.551 4.106 1.00 0.00 H new ATOM 484 N GLN A 61 -13.535 -4.379 4.257 1.00 0.00 N ATOM 485 CA GLN A 61 -14.106 -5.499 3.480 1.00 0.00 C ATOM 486 C GLN A 61 -15.332 -5.110 2.628 1.00 0.00 C ATOM 487 O GLN A 61 -15.720 -5.894 1.766 1.00 0.00 O ATOM 488 CB GLN A 61 -14.383 -6.734 4.368 1.00 0.00 C ATOM 489 CG GLN A 61 -14.147 -8.073 3.623 1.00 0.00 C ATOM 490 CD GLN A 61 -15.393 -8.922 3.370 1.00 0.00 C ATOM 491 OE1 GLN A 61 -15.574 -9.993 3.932 1.00 0.00 O ATOM 492 NE2 GLN A 61 -16.288 -8.526 2.499 1.00 0.00 N ATOM 0 H GLN A 61 -13.650 -4.468 5.267 1.00 0.00 H new ATOM 0 HA GLN A 61 -13.335 -5.776 2.761 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.741 -6.695 5.248 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -15.413 -6.697 4.723 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -13.678 -7.855 2.664 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -13.436 -8.667 4.198 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -16.168 -7.638 2.012 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -17.105 -9.106 2.308 1.00 0.00 H new ATOM 501 N GLU A 62 -15.871 -3.892 2.788 1.00 0.00 N ATOM 502 CA GLU A 62 -16.893 -3.298 1.897 1.00 0.00 C ATOM 503 C GLU A 62 -16.484 -3.312 0.411 1.00 0.00 C ATOM 504 O GLU A 62 -17.336 -3.255 -0.473 1.00 0.00 O ATOM 505 CB GLU A 62 -17.171 -1.836 2.307 1.00 0.00 C ATOM 506 CG GLU A 62 -17.917 -1.685 3.640 1.00 0.00 C ATOM 507 CD GLU A 62 -18.308 -0.222 3.942 1.00 0.00 C ATOM 508 OE1 GLU A 62 -18.548 0.584 3.004 1.00 0.00 O ATOM 509 OE2 GLU A 62 -18.362 0.162 5.129 1.00 0.00 O ATOM 0 H GLU A 62 -15.606 -3.275 3.556 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.785 -3.915 2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.223 -1.303 2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.754 -1.355 1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.816 -2.300 3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.290 -2.063 4.447 1.00 0.00 H new ATOM 516 N LEU A 63 -15.173 -3.351 0.142 1.00 0.00 N ATOM 517 CA LEU A 63 -14.571 -3.344 -1.201 1.00 0.00 C ATOM 518 C LEU A 63 -14.385 -4.732 -1.827 1.00 0.00 C ATOM 519 O LEU A 63 -14.306 -4.846 -3.047 1.00 0.00 O ATOM 520 CB LEU A 63 -13.190 -2.689 -1.086 1.00 0.00 C ATOM 521 CG LEU A 63 -13.212 -1.279 -0.486 1.00 0.00 C ATOM 522 CD1 LEU A 63 -11.773 -0.826 -0.306 1.00 0.00 C ATOM 523 CD2 LEU A 63 -13.992 -0.337 -1.387 1.00 0.00 C ATOM 0 H LEU A 63 -14.473 -3.390 0.883 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.259 -2.803 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.550 -3.323 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.738 -2.643 -2.077 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.713 -1.277 0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.758 0.177 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.256 -1.513 0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.271 -0.816 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.000 0.661 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.520 -0.299 -2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -15.016 -0.696 -1.490 1.00 0.00 H new ATOM 535 N GLU A 64 -14.271 -5.735 -0.955 1.00 0.00 N ATOM 536 CA GLU A 64 -14.175 -7.200 -1.178 1.00 0.00 C ATOM 537 C GLU A 64 -12.757 -7.736 -1.504 1.00 0.00 C ATOM 538 O GLU A 64 -12.570 -8.932 -1.747 1.00 0.00 O ATOM 539 CB GLU A 64 -15.117 -7.674 -2.289 1.00 0.00 C ATOM 540 CG GLU A 64 -16.596 -7.315 -2.126 1.00 0.00 C ATOM 541 CD GLU A 64 -17.347 -8.010 -3.267 1.00 0.00 C ATOM 542 OE1 GLU A 64 -17.465 -7.416 -4.366 1.00 0.00 O ATOM 543 OE2 GLU A 64 -17.649 -9.227 -3.140 1.00 0.00 O ATOM 0 H GLU A 64 -14.239 -5.528 0.043 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.465 -7.609 -0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.767 -7.259 -3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.035 -8.758 -2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.970 -7.647 -1.158 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -16.739 -6.235 -2.170 1.00 0.00 H new ATOM 550 N TRP A 65 -11.757 -6.856 -1.540 1.00 0.00 N ATOM 551 CA TRP A 65 -10.414 -7.142 -2.073 1.00 0.00 C ATOM 552 C TRP A 65 -9.591 -8.133 -1.257 1.00 0.00 C ATOM 553 O TRP A 65 -9.338 -7.937 -0.078 1.00 0.00 O ATOM 554 CB TRP A 65 -9.608 -5.840 -2.183 1.00 0.00 C ATOM 555 CG TRP A 65 -10.082 -4.904 -3.263 1.00 0.00 C ATOM 556 CD1 TRP A 65 -11.269 -4.907 -3.937 1.00 0.00 C ATOM 557 CD2 TRP A 65 -9.342 -3.759 -3.783 1.00 0.00 C ATOM 558 NE1 TRP A 65 -11.320 -3.808 -4.784 1.00 0.00 N ATOM 559 CE2 TRP A 65 -10.139 -3.100 -4.769 1.00 0.00 C ATOM 560 CE3 TRP A 65 -8.064 -3.223 -3.492 1.00 0.00 C ATOM 561 CZ2 TRP A 65 -9.671 -1.979 -5.477 1.00 0.00 C ATOM 562 CZ3 TRP A 65 -7.581 -2.091 -4.167 1.00 0.00 C ATOM 563 CH2 TRP A 65 -8.381 -1.506 -5.171 1.00 0.00 C ATOM 0 H TRP A 65 -11.854 -5.902 -1.193 1.00 0.00 H new ATOM 0 HA TRP A 65 -10.594 -7.604 -3.044 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.648 -5.320 -1.226 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.563 -6.089 -2.368 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -12.047 -5.648 -3.828 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -12.132 -3.556 -5.348 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.450 -3.693 -2.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.279 -1.498 -6.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.615 -1.675 -3.922 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -7.990 -0.665 -5.725 1.00 0.00 H new ATOM 574 N SER A 66 -9.094 -9.182 -1.906 1.00 0.00 N ATOM 575 CA SER A 66 -8.125 -10.121 -1.302 1.00 0.00 C ATOM 576 C SER A 66 -6.706 -9.499 -1.206 1.00 0.00 C ATOM 577 O SER A 66 -6.274 -8.628 -1.971 1.00 0.00 O ATOM 578 CB SER A 66 -8.081 -11.396 -2.181 1.00 0.00 C ATOM 579 OG SER A 66 -7.802 -11.166 -3.559 1.00 0.00 O ATOM 0 H SER A 66 -9.345 -9.414 -2.867 1.00 0.00 H new ATOM 0 HA SER A 66 -8.444 -10.357 -0.287 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.324 -12.070 -1.780 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.040 -11.909 -2.100 1.00 0.00 H new ATOM 0 HG SER A 66 -7.791 -12.021 -4.038 1.00 0.00 H new ATOM 585 N LEU A 67 -5.908 -10.017 -0.274 1.00 0.00 N ATOM 586 CA LEU A 67 -4.608 -9.480 0.094 1.00 0.00 C ATOM 587 C LEU A 67 -3.624 -9.371 -1.066 1.00 0.00 C ATOM 588 O LEU A 67 -2.718 -8.541 -1.016 1.00 0.00 O ATOM 589 CB LEU A 67 -4.027 -10.336 1.232 1.00 0.00 C ATOM 590 CG LEU A 67 -3.493 -9.527 2.419 1.00 0.00 C ATOM 591 CD1 LEU A 67 -2.469 -10.375 3.137 1.00 0.00 C ATOM 592 CD2 LEU A 67 -2.818 -8.205 2.091 1.00 0.00 C ATOM 0 H LEU A 67 -6.160 -10.848 0.260 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.763 -8.453 0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.799 -11.017 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.220 -10.950 0.833 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.376 -9.276 3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.071 -9.822 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.939 -11.294 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.657 -10.621 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.484 -7.728 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.959 -8.385 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.526 -7.552 1.581 1.00 0.00 H new ATOM 604 N ALA A 68 -3.754 -10.207 -2.097 1.00 0.00 N ATOM 605 CA ALA A 68 -2.867 -10.073 -3.263 1.00 0.00 C ATOM 606 C ALA A 68 -3.139 -8.747 -4.006 1.00 0.00 C ATOM 607 O ALA A 68 -2.192 -8.126 -4.511 1.00 0.00 O ATOM 608 CB ALA A 68 -3.116 -11.277 -4.188 1.00 0.00 C ATOM 0 H ALA A 68 -4.439 -10.961 -2.155 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.825 -10.057 -2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.470 -11.203 -5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.896 -12.200 -3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.159 -11.282 -4.506 1.00 0.00 H new ATOM 614 N THR A 69 -4.410 -8.297 -4.059 1.00 0.00 N ATOM 615 CA THR A 69 -4.834 -7.164 -4.917 1.00 0.00 C ATOM 616 C THR A 69 -4.185 -5.835 -4.546 1.00 0.00 C ATOM 617 O THR A 69 -3.617 -5.169 -5.410 1.00 0.00 O ATOM 618 CB THR A 69 -6.358 -7.001 -4.934 1.00 0.00 C ATOM 619 OG1 THR A 69 -6.945 -8.216 -5.341 1.00 0.00 O ATOM 620 CG2 THR A 69 -6.747 -5.927 -5.955 1.00 0.00 C ATOM 0 H THR A 69 -5.169 -8.704 -3.513 1.00 0.00 H new ATOM 0 HA THR A 69 -4.486 -7.428 -5.916 1.00 0.00 H new ATOM 0 HB THR A 69 -6.700 -6.719 -3.938 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.920 -8.120 -5.353 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.831 -5.812 -5.967 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.284 -4.979 -5.680 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.403 -6.225 -6.945 1.00 0.00 H new ATOM 628 N VAL A 70 -4.181 -5.448 -3.268 1.00 0.00 N ATOM 629 CA VAL A 70 -3.458 -4.248 -2.846 1.00 0.00 C ATOM 630 C VAL A 70 -1.984 -4.266 -3.250 1.00 0.00 C ATOM 631 O VAL A 70 -1.484 -3.292 -3.806 1.00 0.00 O ATOM 632 CB VAL A 70 -3.649 -3.993 -1.338 1.00 0.00 C ATOM 633 CG1 VAL A 70 -3.001 -5.040 -0.427 1.00 0.00 C ATOM 634 CG2 VAL A 70 -3.050 -2.631 -1.015 1.00 0.00 C ATOM 0 H VAL A 70 -4.664 -5.941 -2.517 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.895 -3.407 -3.383 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.720 -4.045 -1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.186 -4.780 0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.428 -6.020 -0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.927 -5.066 -0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.171 -2.423 0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.989 -2.631 -1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.560 -1.862 -1.595 1.00 0.00 H new ATOM 644 N LYS A 71 -1.290 -5.388 -3.032 1.00 0.00 N ATOM 645 CA LYS A 71 0.147 -5.542 -3.319 1.00 0.00 C ATOM 646 C LYS A 71 0.463 -5.397 -4.805 1.00 0.00 C ATOM 647 O LYS A 71 1.411 -4.697 -5.156 1.00 0.00 O ATOM 648 CB LYS A 71 0.656 -6.897 -2.802 1.00 0.00 C ATOM 649 CG LYS A 71 0.390 -7.067 -1.307 1.00 0.00 C ATOM 650 CD LYS A 71 0.993 -8.379 -0.796 1.00 0.00 C ATOM 651 CE LYS A 71 0.308 -8.753 0.525 1.00 0.00 C ATOM 652 NZ LYS A 71 0.948 -9.879 1.259 1.00 0.00 N ATOM 0 H LYS A 71 -1.715 -6.231 -2.645 1.00 0.00 H new ATOM 0 HA LYS A 71 0.663 -4.737 -2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.170 -7.703 -3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.726 -6.981 -2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.817 -6.227 -0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.684 -7.057 -1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.853 -9.171 -1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.067 -8.268 -0.647 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.294 -7.876 1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.730 -9.014 0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.422 -10.064 2.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.939 -10.732 0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.931 -9.629 1.490 1.00 0.00 H new ATOM 666 N THR A 72 -0.369 -5.980 -5.663 1.00 0.00 N ATOM 667 CA THR A 72 -0.207 -5.783 -7.118 1.00 0.00 C ATOM 668 C THR A 72 -0.500 -4.347 -7.565 1.00 0.00 C ATOM 669 O THR A 72 0.137 -3.886 -8.509 1.00 0.00 O ATOM 670 CB THR A 72 -0.985 -6.804 -7.955 1.00 0.00 C ATOM 671 OG1 THR A 72 -0.674 -6.665 -9.319 1.00 0.00 O ATOM 672 CG2 THR A 72 -2.491 -6.705 -7.810 1.00 0.00 C ATOM 0 H THR A 72 -1.148 -6.581 -5.395 1.00 0.00 H new ATOM 0 HA THR A 72 0.851 -5.963 -7.310 1.00 0.00 H new ATOM 0 HB THR A 72 -0.676 -7.776 -7.571 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.178 -7.326 -9.838 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.967 -7.461 -8.434 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.768 -6.867 -6.768 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.822 -5.715 -8.123 1.00 0.00 H new ATOM 680 N LEU A 73 -1.425 -3.621 -6.920 1.00 0.00 N ATOM 681 CA LEU A 73 -1.824 -2.274 -7.297 1.00 0.00 C ATOM 682 C LEU A 73 -0.773 -1.254 -6.817 1.00 0.00 C ATOM 683 O LEU A 73 -0.315 -0.394 -7.570 1.00 0.00 O ATOM 684 CB LEU A 73 -3.204 -2.114 -6.654 1.00 0.00 C ATOM 685 CG LEU A 73 -4.075 -0.970 -7.162 1.00 0.00 C ATOM 686 CD1 LEU A 73 -5.345 -1.009 -6.327 1.00 0.00 C ATOM 687 CD2 LEU A 73 -3.415 0.386 -6.976 1.00 0.00 C ATOM 0 H LEU A 73 -1.924 -3.971 -6.102 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.883 -2.101 -8.372 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.753 -3.045 -6.793 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.065 -1.983 -5.581 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.256 -1.094 -8.230 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.014 -0.209 -6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.840 -1.971 -6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.093 -0.875 -5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.075 1.167 -7.353 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.222 0.555 -5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.473 0.411 -7.525 1.00 0.00 H new ATOM 699 N LEU A 74 -0.269 -1.450 -5.595 1.00 0.00 N ATOM 700 CA LEU A 74 0.886 -0.731 -5.058 1.00 0.00 C ATOM 701 C LEU A 74 2.022 -0.750 -6.036 1.00 0.00 C ATOM 702 O LEU A 74 2.576 0.284 -6.359 1.00 0.00 O ATOM 703 CB LEU A 74 1.446 -1.460 -3.846 1.00 0.00 C ATOM 704 CG LEU A 74 0.692 -1.221 -2.564 1.00 0.00 C ATOM 705 CD1 LEU A 74 1.369 -2.096 -1.514 1.00 0.00 C ATOM 706 CD2 LEU A 74 0.759 0.257 -2.213 1.00 0.00 C ATOM 0 H LEU A 74 -0.661 -2.126 -4.940 1.00 0.00 H new ATOM 0 HA LEU A 74 0.541 0.277 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.453 -2.530 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.483 -1.157 -3.704 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.365 -1.477 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.867 -1.968 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.310 -3.141 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.415 -1.805 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.215 0.436 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.800 0.554 -2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.310 0.842 -3.016 1.00 0.00 H new ATOM 718 N GLY A 75 2.298 -1.948 -6.525 1.00 0.00 N ATOM 719 CA GLY A 75 3.344 -2.222 -7.501 1.00 0.00 C ATOM 720 C GLY A 75 3.218 -1.340 -8.741 1.00 0.00 C ATOM 721 O GLY A 75 4.234 -0.996 -9.329 1.00 0.00 O ATOM 0 H GLY A 75 1.785 -2.784 -6.246 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.319 -2.063 -7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.298 -3.270 -7.796 1.00 0.00 H new ATOM 725 N ARG A 76 1.997 -0.919 -9.093 1.00 0.00 N ATOM 726 CA ARG A 76 1.717 0.032 -10.180 1.00 0.00 C ATOM 727 C ARG A 76 2.000 1.461 -9.731 1.00 0.00 C ATOM 728 O ARG A 76 2.606 2.212 -10.492 1.00 0.00 O ATOM 729 CB ARG A 76 0.260 -0.092 -10.661 1.00 0.00 C ATOM 730 CG ARG A 76 -0.141 -1.509 -11.121 1.00 0.00 C ATOM 731 CD ARG A 76 0.195 -1.752 -12.600 1.00 0.00 C ATOM 732 NE ARG A 76 0.142 -3.179 -12.957 1.00 0.00 N ATOM 733 CZ ARG A 76 -0.287 -3.714 -14.089 1.00 0.00 C ATOM 734 NH1 ARG A 76 -0.714 -3.020 -15.107 1.00 0.00 N ATOM 735 NH2 ARG A 76 -0.113 -4.988 -14.273 1.00 0.00 N ATOM 0 H ARG A 76 1.153 -1.238 -8.618 1.00 0.00 H new ATOM 0 HA ARG A 76 2.376 -0.211 -11.013 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.404 0.216 -9.853 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.102 0.603 -11.486 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.373 -2.248 -10.507 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.210 -1.652 -10.964 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.504 -1.197 -13.225 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.191 -1.363 -12.813 1.00 0.00 H new ATOM 0 HE ARG A 76 0.475 -3.833 -12.248 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.731 -2.001 -15.059 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.031 -3.496 -15.952 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.344 -5.549 -13.554 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.434 -5.427 -15.136 1.00 0.00 H new ATOM 749 N LEU A 77 1.598 1.824 -8.503 1.00 0.00 N ATOM 750 CA LEU A 77 1.937 3.141 -7.940 1.00 0.00 C ATOM 751 C LEU A 77 3.449 3.368 -7.915 1.00 0.00 C ATOM 752 O LEU A 77 3.945 4.385 -8.392 1.00 0.00 O ATOM 753 CB LEU A 77 1.436 3.254 -6.494 1.00 0.00 C ATOM 754 CG LEU A 77 0.037 2.726 -6.210 1.00 0.00 C ATOM 755 CD1 LEU A 77 -0.258 2.977 -4.744 1.00 0.00 C ATOM 756 CD2 LEU A 77 -0.967 3.382 -7.131 1.00 0.00 C ATOM 0 H LEU A 77 1.043 1.231 -7.886 1.00 0.00 H new ATOM 0 HA LEU A 77 1.459 3.885 -8.577 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.137 2.724 -5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.468 4.304 -6.204 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.032 1.656 -6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.256 2.610 -4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.477 2.456 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.207 4.047 -4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.964 2.995 -6.917 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.955 4.461 -6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.707 3.164 -8.167 1.00 0.00 H new ATOM 768 N VAL A 78 4.155 2.388 -7.349 1.00 0.00 N ATOM 769 CA VAL A 78 5.618 2.488 -7.148 1.00 0.00 C ATOM 770 C VAL A 78 6.370 2.589 -8.489 1.00 0.00 C ATOM 771 O VAL A 78 7.341 3.333 -8.585 1.00 0.00 O ATOM 772 CB VAL A 78 6.252 1.466 -6.155 1.00 0.00 C ATOM 773 CG1 VAL A 78 5.303 0.744 -5.177 1.00 0.00 C ATOM 774 CG2 VAL A 78 7.075 0.357 -6.819 1.00 0.00 C ATOM 0 H VAL A 78 3.746 1.514 -7.019 1.00 0.00 H new ATOM 0 HA VAL A 78 5.753 3.431 -6.618 1.00 0.00 H new ATOM 0 HB VAL A 78 6.878 2.159 -5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.878 0.065 -4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.798 1.479 -4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.562 0.177 -5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.477 -0.306 -6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.438 -0.214 -7.495 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.896 0.801 -7.382 1.00 0.00 H new ATOM 784 N LYS A 79 5.867 1.926 -9.547 1.00 0.00 N ATOM 785 CA LYS A 79 6.408 1.972 -10.925 1.00 0.00 C ATOM 786 C LYS A 79 6.437 3.344 -11.596 1.00 0.00 C ATOM 787 O LYS A 79 7.051 3.516 -12.647 1.00 0.00 O ATOM 788 CB LYS A 79 5.614 1.010 -11.823 1.00 0.00 C ATOM 789 CG LYS A 79 6.542 0.025 -12.502 1.00 0.00 C ATOM 790 CD LYS A 79 7.207 -0.980 -11.560 1.00 0.00 C ATOM 791 CE LYS A 79 6.196 -2.064 -11.208 1.00 0.00 C ATOM 792 NZ LYS A 79 6.011 -3.057 -12.284 1.00 0.00 N ATOM 0 H LYS A 79 5.047 1.324 -9.468 1.00 0.00 H new ATOM 0 HA LYS A 79 7.452 1.680 -10.812 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.877 0.472 -11.226 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.064 1.576 -12.574 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.978 -0.523 -13.257 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.320 0.581 -13.026 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.083 -1.421 -12.036 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.553 -0.479 -10.656 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.522 -2.576 -10.302 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.237 -1.598 -10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.462 -3.863 -11.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.501 -2.618 -13.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.940 -3.391 -12.612 1.00 0.00 H new ATOM 806 N LYS A 80 5.650 4.255 -11.041 1.00 0.00 N ATOM 807 CA LYS A 80 5.339 5.588 -11.584 1.00 0.00 C ATOM 808 C LYS A 80 5.619 6.732 -10.601 1.00 0.00 C ATOM 809 O LYS A 80 5.021 7.802 -10.696 1.00 0.00 O ATOM 810 CB LYS A 80 3.897 5.568 -12.124 1.00 0.00 C ATOM 811 CG LYS A 80 3.781 6.481 -13.348 1.00 0.00 C ATOM 812 CD LYS A 80 2.394 6.399 -13.983 1.00 0.00 C ATOM 813 CE LYS A 80 2.461 7.152 -15.309 1.00 0.00 C ATOM 814 NZ LYS A 80 1.180 7.096 -16.042 1.00 0.00 N ATOM 0 H LYS A 80 5.182 4.083 -10.151 1.00 0.00 H new ATOM 0 HA LYS A 80 6.018 5.804 -12.409 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.615 4.550 -12.392 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.205 5.897 -11.348 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.987 7.511 -13.055 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.535 6.202 -14.084 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.105 5.360 -14.144 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.644 6.840 -13.327 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.727 8.192 -15.122 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.252 6.727 -15.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.269 7.619 -16.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.938 6.105 -16.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.430 7.524 -15.463 1.00 0.00 H new ATOM 828 N GLU A 81 6.511 6.475 -9.643 1.00 0.00 N ATOM 829 CA GLU A 81 6.969 7.415 -8.605 1.00 0.00 C ATOM 830 C GLU A 81 5.864 7.986 -7.669 1.00 0.00 C ATOM 831 O GLU A 81 6.089 8.991 -6.995 1.00 0.00 O ATOM 832 CB GLU A 81 7.865 8.512 -9.243 1.00 0.00 C ATOM 833 CG GLU A 81 9.327 8.117 -9.531 1.00 0.00 C ATOM 834 CD GLU A 81 9.550 7.264 -10.789 1.00 0.00 C ATOM 835 OE1 GLU A 81 9.294 7.752 -11.923 1.00 0.00 O ATOM 836 OE2 GLU A 81 10.053 6.129 -10.659 1.00 0.00 O ATOM 0 H GLU A 81 6.959 5.562 -9.561 1.00 0.00 H new ATOM 0 HA GLU A 81 7.569 6.827 -7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.405 8.828 -10.179 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.869 9.378 -8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.919 9.028 -9.622 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.713 7.570 -8.670 1.00 0.00 H new ATOM 843 N MET A 82 4.669 7.377 -7.560 1.00 0.00 N ATOM 844 CA MET A 82 3.626 7.872 -6.632 1.00 0.00 C ATOM 845 C MET A 82 4.043 7.740 -5.154 1.00 0.00 C ATOM 846 O MET A 82 3.674 8.553 -4.311 1.00 0.00 O ATOM 847 CB MET A 82 2.339 7.073 -6.836 1.00 0.00 C ATOM 848 CG MET A 82 1.817 7.036 -8.272 1.00 0.00 C ATOM 849 SD MET A 82 1.039 8.567 -8.871 1.00 0.00 S ATOM 850 CE MET A 82 2.432 9.363 -9.712 1.00 0.00 C ATOM 0 H MET A 82 4.400 6.551 -8.094 1.00 0.00 H new ATOM 0 HA MET A 82 3.477 8.929 -6.855 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.509 6.050 -6.502 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.564 7.493 -6.195 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.647 6.789 -8.934 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.092 6.226 -8.354 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.299 10.445 -9.691 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.361 9.102 -9.205 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.475 9.022 -10.747 1.00 0.00 H new ATOM 860 N LEU A 83 4.782 6.669 -4.869 1.00 0.00 N ATOM 861 CA LEU A 83 5.511 6.369 -3.627 1.00 0.00 C ATOM 862 C LEU A 83 6.650 5.382 -3.949 1.00 0.00 C ATOM 863 O LEU A 83 6.782 4.960 -5.096 1.00 0.00 O ATOM 864 CB LEU A 83 4.562 5.872 -2.505 1.00 0.00 C ATOM 865 CG LEU A 83 4.190 4.376 -2.496 1.00 0.00 C ATOM 866 CD1 LEU A 83 3.126 4.082 -1.438 1.00 0.00 C ATOM 867 CD2 LEU A 83 3.651 3.895 -3.831 1.00 0.00 C ATOM 0 H LEU A 83 4.899 5.923 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 83 5.955 7.282 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.022 6.110 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.638 6.448 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 83 5.117 3.848 -2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.882 3.020 -1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.507 4.353 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.229 4.663 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.406 2.835 -3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.754 4.459 -4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.405 4.045 -4.603 1.00 0.00 H new ATOM 879 N SER A 84 7.433 4.961 -2.951 1.00 0.00 N ATOM 880 CA SER A 84 8.474 3.925 -3.097 1.00 0.00 C ATOM 881 C SER A 84 8.404 2.913 -1.960 1.00 0.00 C ATOM 882 O SER A 84 7.588 3.031 -1.044 1.00 0.00 O ATOM 883 CB SER A 84 9.883 4.520 -3.150 1.00 0.00 C ATOM 884 OG SER A 84 10.059 5.299 -4.316 1.00 0.00 O ATOM 0 H SER A 84 7.365 5.332 -2.003 1.00 0.00 H new ATOM 0 HA SER A 84 8.276 3.426 -4.045 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.055 5.136 -2.267 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.621 3.718 -3.129 1.00 0.00 H new ATOM 0 HG SER A 84 10.966 5.670 -4.328 1.00 0.00 H new ATOM 890 N THR A 85 9.230 1.873 -2.027 1.00 0.00 N ATOM 891 CA THR A 85 9.217 0.799 -1.039 1.00 0.00 C ATOM 892 C THR A 85 10.597 0.184 -0.825 1.00 0.00 C ATOM 893 O THR A 85 11.394 0.107 -1.754 1.00 0.00 O ATOM 894 CB THR A 85 8.165 -0.233 -1.472 1.00 0.00 C ATOM 895 OG1 THR A 85 8.108 -1.316 -0.584 1.00 0.00 O ATOM 896 CG2 THR A 85 8.402 -0.776 -2.882 1.00 0.00 C ATOM 0 H THR A 85 9.924 1.751 -2.764 1.00 0.00 H new ATOM 0 HA THR A 85 8.945 1.203 -0.064 1.00 0.00 H new ATOM 0 HB THR A 85 7.218 0.307 -1.464 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.246 -0.996 0.332 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.625 -1.500 -3.128 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.373 0.045 -3.598 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.377 -1.261 -2.926 1.00 0.00 H new ATOM 904 N GLU A 86 10.878 -0.266 0.405 1.00 0.00 N ATOM 905 CA GLU A 86 12.117 -0.979 0.753 1.00 0.00 C ATOM 906 C GLU A 86 11.828 -2.172 1.678 1.00 0.00 C ATOM 907 O GLU A 86 10.726 -2.290 2.220 1.00 0.00 O ATOM 908 CB GLU A 86 13.179 -0.028 1.342 1.00 0.00 C ATOM 909 CG GLU A 86 12.824 0.587 2.707 1.00 0.00 C ATOM 910 CD GLU A 86 13.897 1.574 3.214 1.00 0.00 C ATOM 911 OE1 GLU A 86 14.939 1.773 2.543 1.00 0.00 O ATOM 912 OE2 GLU A 86 13.646 2.178 4.281 1.00 0.00 O ATOM 0 H GLU A 86 10.245 -0.145 1.196 1.00 0.00 H new ATOM 0 HA GLU A 86 12.539 -1.380 -0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.117 -0.574 1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.353 0.780 0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.868 1.105 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.696 -0.211 3.438 1.00 0.00 H new ATOM 919 N LYS A 87 12.800 -3.077 1.846 1.00 0.00 N ATOM 920 CA LYS A 87 12.634 -4.355 2.525 1.00 0.00 C ATOM 921 C LYS A 87 13.434 -4.408 3.827 1.00 0.00 C ATOM 922 O LYS A 87 14.633 -4.167 3.827 1.00 0.00 O ATOM 923 CB LYS A 87 13.112 -5.436 1.548 1.00 0.00 C ATOM 924 CG LYS A 87 12.736 -6.812 2.062 1.00 0.00 C ATOM 925 CD LYS A 87 13.309 -7.905 1.166 1.00 0.00 C ATOM 926 CE LYS A 87 12.674 -9.151 1.748 1.00 0.00 C ATOM 927 NZ LYS A 87 13.305 -10.416 1.303 1.00 0.00 N ATOM 0 H LYS A 87 13.749 -2.930 1.501 1.00 0.00 H new ATOM 0 HA LYS A 87 11.591 -4.506 2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.666 -5.272 0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.193 -5.370 1.422 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.108 -6.938 3.079 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.651 -6.904 2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.039 -7.759 0.120 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.397 -7.942 1.212 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.722 -9.096 2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.619 -9.169 1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.630 -10.956 0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.151 -10.202 0.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.578 -10.979 2.134 1.00 0.00 H new ATOM 941 N GLU A 88 12.792 -4.872 4.897 1.00 0.00 N ATOM 942 CA GLU A 88 13.440 -5.223 6.171 1.00 0.00 C ATOM 943 C GLU A 88 13.281 -6.739 6.416 1.00 0.00 C ATOM 944 O GLU A 88 12.312 -7.210 7.018 1.00 0.00 O ATOM 945 CB GLU A 88 12.909 -4.354 7.330 1.00 0.00 C ATOM 946 CG GLU A 88 13.565 -2.957 7.404 1.00 0.00 C ATOM 947 CD GLU A 88 14.973 -2.983 8.038 1.00 0.00 C ATOM 948 OE1 GLU A 88 15.069 -3.099 9.288 1.00 0.00 O ATOM 949 OE2 GLU A 88 15.997 -2.890 7.320 1.00 0.00 O ATOM 0 H GLU A 88 11.783 -5.020 4.908 1.00 0.00 H new ATOM 0 HA GLU A 88 14.507 -5.006 6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.831 -4.235 7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.078 -4.876 8.272 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.633 -2.540 6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.925 -2.291 7.983 1.00 0.00 H new ATOM 956 N GLY A 89 14.218 -7.511 5.850 1.00 0.00 N ATOM 957 CA GLY A 89 14.365 -8.973 5.965 1.00 0.00 C ATOM 958 C GLY A 89 13.218 -9.824 5.402 1.00 0.00 C ATOM 959 O GLY A 89 13.402 -10.542 4.417 1.00 0.00 O ATOM 0 H GLY A 89 14.944 -7.106 5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.286 -9.264 5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.488 -9.221 7.019 1.00 0.00 H new ATOM 963 N ARG A 90 12.020 -9.747 5.996 1.00 0.00 N ATOM 964 CA ARG A 90 10.857 -10.600 5.657 1.00 0.00 C ATOM 965 C ARG A 90 9.632 -9.823 5.157 1.00 0.00 C ATOM 966 O ARG A 90 8.900 -10.348 4.320 1.00 0.00 O ATOM 967 CB ARG A 90 10.505 -11.533 6.841 1.00 0.00 C ATOM 968 CG ARG A 90 10.429 -13.007 6.405 1.00 0.00 C ATOM 969 CD ARG A 90 10.110 -13.925 7.594 1.00 0.00 C ATOM 970 NE ARG A 90 10.274 -15.363 7.266 1.00 0.00 N ATOM 971 CZ ARG A 90 11.383 -16.075 7.428 1.00 0.00 C ATOM 972 NH1 ARG A 90 12.538 -15.475 7.557 1.00 0.00 N ATOM 973 NH2 ARG A 90 11.385 -17.379 7.422 1.00 0.00 N ATOM 0 H ARG A 90 11.821 -9.079 6.741 1.00 0.00 H new ATOM 0 HA ARG A 90 11.163 -11.210 4.807 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.255 -11.424 7.625 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.549 -11.231 7.270 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.663 -13.123 5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.377 -13.305 5.957 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.762 -13.670 8.430 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.086 -13.746 7.922 1.00 0.00 H new ATOM 0 HE ARG A 90 9.463 -15.847 6.882 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.589 -14.457 7.533 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.388 -16.026 7.681 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.512 -17.890 7.289 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.259 -17.888 7.550 1.00 0.00 H new ATOM 987 N LYS A 91 9.443 -8.569 5.585 1.00 0.00 N ATOM 988 CA LYS A 91 8.383 -7.671 5.092 1.00 0.00 C ATOM 989 C LYS A 91 8.923 -6.402 4.427 1.00 0.00 C ATOM 990 O LYS A 91 10.122 -6.132 4.417 1.00 0.00 O ATOM 991 CB LYS A 91 7.399 -7.377 6.242 1.00 0.00 C ATOM 992 CG LYS A 91 6.328 -8.475 6.298 1.00 0.00 C ATOM 993 CD LYS A 91 5.598 -8.469 7.644 1.00 0.00 C ATOM 994 CE LYS A 91 4.855 -9.808 7.822 1.00 0.00 C ATOM 995 NZ LYS A 91 4.181 -9.976 9.135 1.00 0.00 N ATOM 0 H LYS A 91 10.032 -8.138 6.298 1.00 0.00 H new ATOM 0 HA LYS A 91 7.846 -8.180 4.291 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.935 -7.330 7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.930 -6.405 6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.610 -8.328 5.491 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.792 -9.448 6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.309 -8.323 8.457 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.892 -7.639 7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.110 -9.902 7.032 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.566 -10.623 7.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.708 -10.902 9.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.887 -9.921 9.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.475 -9.223 9.262 1.00 0.00 H new ATOM 1009 N PHE A 92 7.974 -5.653 3.872 1.00 0.00 N ATOM 1010 CA PHE A 92 8.204 -4.433 3.110 1.00 0.00 C ATOM 1011 C PHE A 92 7.622 -3.237 3.836 1.00 0.00 C ATOM 1012 O PHE A 92 6.592 -3.335 4.516 1.00 0.00 O ATOM 1013 CB PHE A 92 7.555 -4.518 1.729 1.00 0.00 C ATOM 1014 CG PHE A 92 8.435 -5.240 0.758 1.00 0.00 C ATOM 1015 CD1 PHE A 92 8.341 -6.632 0.645 1.00 0.00 C ATOM 1016 CD2 PHE A 92 9.390 -4.521 0.029 1.00 0.00 C ATOM 1017 CE1 PHE A 92 9.214 -7.317 -0.224 1.00 0.00 C ATOM 1018 CE2 PHE A 92 10.254 -5.193 -0.846 1.00 0.00 C ATOM 1019 CZ PHE A 92 10.166 -6.594 -0.975 1.00 0.00 C ATOM 0 H PHE A 92 6.985 -5.891 3.945 1.00 0.00 H new ATOM 0 HA PHE A 92 9.282 -4.317 3.000 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.597 -5.032 1.806 1.00 0.00 H new ATOM 0 HB3 PHE A 92 7.349 -3.514 1.359 1.00 0.00 H new ATOM 0 HD1 PHE A 92 7.606 -7.177 1.219 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.461 -3.449 0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.155 -8.392 -0.315 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.984 -4.640 -1.419 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.828 -7.116 -1.650 1.00 0.00 H new ATOM 1029 N VAL A 93 8.257 -2.099 3.601 1.00 0.00 N ATOM 1030 CA VAL A 93 7.775 -0.777 3.973 1.00 0.00 C ATOM 1031 C VAL A 93 7.484 -0.025 2.692 1.00 0.00 C ATOM 1032 O VAL A 93 8.289 -0.028 1.764 1.00 0.00 O ATOM 1033 CB VAL A 93 8.793 0.037 4.792 1.00 0.00 C ATOM 1034 CG1 VAL A 93 8.018 1.158 5.502 1.00 0.00 C ATOM 1035 CG2 VAL A 93 9.587 -0.836 5.764 1.00 0.00 C ATOM 0 H VAL A 93 9.159 -2.070 3.126 1.00 0.00 H new ATOM 0 HA VAL A 93 6.893 -0.906 4.601 1.00 0.00 H new ATOM 0 HB VAL A 93 9.546 0.469 4.133 1.00 0.00 H new ATOM 0 HG11 VAL A 93 8.708 1.759 6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.532 1.791 4.760 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.264 0.721 6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.291 -0.216 6.318 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.903 -1.319 6.461 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.134 -1.596 5.207 1.00 0.00 H new ATOM 1045 N TYR A 94 6.341 0.636 2.644 1.00 0.00 N ATOM 1046 CA TYR A 94 5.954 1.568 1.607 1.00 0.00 C ATOM 1047 C TYR A 94 6.177 2.963 2.197 1.00 0.00 C ATOM 1048 O TYR A 94 5.486 3.352 3.139 1.00 0.00 O ATOM 1049 CB TYR A 94 4.513 1.228 1.204 1.00 0.00 C ATOM 1050 CG TYR A 94 4.448 -0.115 0.485 1.00 0.00 C ATOM 1051 CD1 TYR A 94 4.606 -0.131 -0.915 1.00 0.00 C ATOM 1052 CD2 TYR A 94 4.357 -1.335 1.202 1.00 0.00 C ATOM 1053 CE1 TYR A 94 4.691 -1.355 -1.605 1.00 0.00 C ATOM 1054 CE2 TYR A 94 4.431 -2.558 0.509 1.00 0.00 C ATOM 1055 CZ TYR A 94 4.622 -2.567 -0.885 1.00 0.00 C ATOM 1056 OH TYR A 94 4.704 -3.754 -1.535 1.00 0.00 O ATOM 0 H TYR A 94 5.625 0.530 3.363 1.00 0.00 H new ATOM 0 HA TYR A 94 6.532 1.518 0.684 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.881 1.200 2.091 1.00 0.00 H new ATOM 0 HB3 TYR A 94 4.119 2.011 0.556 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.662 0.799 -1.461 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.232 -1.326 2.275 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.808 -1.367 -2.679 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.341 -3.490 1.048 1.00 0.00 H new ATOM 0 HH TYR A 94 4.640 -4.487 -0.887 1.00 0.00 H new ATOM 1066 N ARG A 95 7.207 3.651 1.688 1.00 0.00 N ATOM 1067 CA ARG A 95 7.797 4.904 2.186 1.00 0.00 C ATOM 1068 C ARG A 95 7.698 6.050 1.156 1.00 0.00 C ATOM 1069 O ARG A 95 7.696 5.792 -0.056 1.00 0.00 O ATOM 1070 CB ARG A 95 9.281 4.664 2.537 1.00 0.00 C ATOM 1071 CG ARG A 95 9.532 3.584 3.598 1.00 0.00 C ATOM 1072 CD ARG A 95 10.983 3.564 4.091 1.00 0.00 C ATOM 1073 NE ARG A 95 11.277 4.745 4.909 1.00 0.00 N ATOM 1074 CZ ARG A 95 12.432 5.344 5.095 1.00 0.00 C ATOM 1075 NH1 ARG A 95 13.583 4.874 4.714 1.00 0.00 N ATOM 1076 NH2 ARG A 95 12.438 6.475 5.727 1.00 0.00 N ATOM 0 H ARG A 95 7.689 3.321 0.851 1.00 0.00 H new ATOM 0 HA ARG A 95 7.234 5.204 3.069 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.814 4.388 1.627 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.712 5.602 2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.867 3.752 4.445 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.280 2.608 3.183 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.160 2.660 4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.660 3.531 3.238 1.00 0.00 H new ATOM 0 HE ARG A 95 10.481 5.155 5.397 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.633 3.977 4.232 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.436 5.403 4.897 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.563 6.875 6.064 1.00 0.00 H new ATOM 0 HH22 ARG A 95 13.318 6.965 5.887 1.00 0.00 H new ATOM 1090 N PRO A 96 7.695 7.322 1.600 1.00 0.00 N ATOM 1091 CA PRO A 96 7.509 8.502 0.752 1.00 0.00 C ATOM 1092 C PRO A 96 8.830 9.047 0.156 1.00 0.00 C ATOM 1093 O PRO A 96 9.011 10.259 0.083 1.00 0.00 O ATOM 1094 CB PRO A 96 6.819 9.506 1.689 1.00 0.00 C ATOM 1095 CG PRO A 96 7.531 9.254 3.017 1.00 0.00 C ATOM 1096 CD PRO A 96 7.680 7.733 3.003 1.00 0.00 C ATOM 0 HA PRO A 96 6.920 8.281 -0.138 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.946 10.534 1.348 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.747 9.324 1.761 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.495 9.760 3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.945 9.600 3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.599 7.430 3.504 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.856 7.259 3.536 1.00 0.00 H new ATOM 1104 N LEU A 97 9.789 8.186 -0.216 1.00 0.00 N ATOM 1105 CA LEU A 97 11.087 8.596 -0.783 1.00 0.00 C ATOM 1106 C LEU A 97 10.931 9.493 -2.027 1.00 0.00 C ATOM 1107 O LEU A 97 10.634 9.005 -3.119 1.00 0.00 O ATOM 1108 CB LEU A 97 11.941 7.367 -1.090 1.00 0.00 C ATOM 1109 CG LEU A 97 12.870 6.957 0.065 1.00 0.00 C ATOM 1110 CD1 LEU A 97 12.160 6.676 1.389 1.00 0.00 C ATOM 1111 CD2 LEU A 97 13.536 5.675 -0.392 1.00 0.00 C ATOM 0 H LEU A 97 9.686 7.175 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 97 11.596 9.199 -0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 97 11.285 6.531 -1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 97 12.543 7.566 -1.976 1.00 0.00 H new ATOM 0 HG LEU A 97 13.551 7.784 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 97 12.895 6.395 2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 97 11.630 7.571 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 97 11.448 5.862 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 97 14.216 5.322 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 97 12.776 4.917 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 97 14.097 5.863 -1.308 1.00 0.00 H new ATOM 1123 N MET A 98 11.177 10.792 -1.847 1.00 0.00 N ATOM 1124 CA MET A 98 11.272 11.787 -2.920 1.00 0.00 C ATOM 1125 C MET A 98 12.730 12.229 -3.129 1.00 0.00 C ATOM 1126 O MET A 98 13.530 12.213 -2.192 1.00 0.00 O ATOM 1127 CB MET A 98 10.352 12.985 -2.609 1.00 0.00 C ATOM 1128 CG MET A 98 10.785 13.799 -1.378 1.00 0.00 C ATOM 1129 SD MET A 98 9.741 15.236 -1.001 1.00 0.00 S ATOM 1130 CE MET A 98 10.708 15.935 0.362 1.00 0.00 C ATOM 0 H MET A 98 11.320 11.195 -0.921 1.00 0.00 H new ATOM 0 HA MET A 98 10.936 11.335 -3.854 1.00 0.00 H new ATOM 0 HB2 MET A 98 10.324 13.644 -3.477 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.337 12.620 -2.453 1.00 0.00 H new ATOM 0 HG2 MET A 98 10.796 13.139 -0.510 1.00 0.00 H new ATOM 0 HG3 MET A 98 11.808 14.142 -1.530 1.00 0.00 H new ATOM 0 HE1 MET A 98 10.218 16.836 0.731 1.00 0.00 H new ATOM 0 HE2 MET A 98 10.780 15.205 1.169 1.00 0.00 H new ATOM 0 HE3 MET A 98 11.708 16.184 0.008 1.00 0.00 H new ATOM 1140 N GLU A 99 13.044 12.656 -4.355 1.00 0.00 N ATOM 1141 CA GLU A 99 14.358 13.172 -4.788 1.00 0.00 C ATOM 1142 C GLU A 99 14.234 14.247 -5.877 1.00 0.00 C ATOM 1143 O GLU A 99 14.883 15.304 -5.719 1.00 0.00 O ATOM 1144 CB GLU A 99 15.301 12.016 -5.204 1.00 0.00 C ATOM 1145 CG GLU A 99 14.770 11.043 -6.278 1.00 0.00 C ATOM 1146 CD GLU A 99 15.826 10.000 -6.692 1.00 0.00 C ATOM 1147 OE1 GLU A 99 15.946 8.913 -6.015 1.00 0.00 O ATOM 1148 OE2 GLU A 99 16.539 10.169 -7.677 1.00 0.00 O ATOM 0 H GLU A 99 12.361 12.654 -5.113 1.00 0.00 H new ATOM 0 HA GLU A 99 14.811 13.668 -3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 99 16.232 12.450 -5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 99 15.546 11.439 -4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 99 13.886 10.531 -5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 99 14.457 11.609 -7.156 1.00 0.00 H new TER 1155 GLU A 99