USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 960 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 95 GLN : amide:sc= -1.72 X(o=-8.9,f=-8.5) USER MOD Set 1.2: A 96 GLN : amide:sc= -7.23! C(o=-8.9!,f=-10!) USER MOD Set 2.1: A 67 LYS NZ :NH3+ -117:sc= 0.0881 (180deg=-0.0149) USER MOD Set 2.2: A 92 SER OG : rot -35:sc= 0.623 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 0 (180deg=-0.231) USER MOD Single : A 2 GLN : amide:sc= -1.27 K(o=-1.3,f=-5!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 174:sc= -2.77! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -24:sc= -2.46! USER MOD Single : A 35 ASN : amide:sc= -3.37! C(o=-3.4!,f=-4.1!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.249 F(o=-1,f=-0.25) USER MOD Single : A 45 SER OG : rot -21:sc= 0.696! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 110:sc= -3.68! USER MOD Single : A 57 MET CE :methyl -138:sc= -0.271 (180deg=-1.91!) USER MOD Single : A 60 MET CE :methyl -128:sc= -0.193 (180deg=-3.43!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.34) USER MOD Single : A 73 HIS : no HE2:sc= -25.8! C(o=-26!,f=-29!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -3.97 K(o=-4,f=-7.3!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 38:sc= 0.0111 USER MOD Single : A 101 TYR OH : rot 30:sc= -1.66 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.6!) USER MOD Single : A 122 TYR OH : rot 30:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.855 K(o=-0.85,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.595 -14.516 6.141 1.00 0.00 N ATOM 2 CA MET A 1 16.272 -13.231 5.467 1.00 0.00 C ATOM 3 C MET A 1 15.423 -13.461 4.219 1.00 0.00 C ATOM 4 O MET A 1 15.949 -13.719 3.136 1.00 0.00 O ATOM 5 CB MET A 1 17.582 -12.532 5.097 1.00 0.00 C ATOM 6 CG MET A 1 18.513 -13.390 4.255 1.00 0.00 C ATOM 7 SD MET A 1 19.218 -12.492 2.858 1.00 0.00 S ATOM 8 CE MET A 1 19.442 -13.819 1.678 1.00 0.00 C ATOM 0 H1 MET A 1 17.431 -14.390 6.746 1.00 0.00 H new ATOM 0 H2 MET A 1 15.787 -14.815 6.724 1.00 0.00 H new ATOM 0 H3 MET A 1 16.793 -15.244 5.425 1.00 0.00 H new ATOM 0 HA MET A 1 15.692 -12.605 6.146 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.354 -11.616 4.552 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.099 -12.239 6.011 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.320 -13.767 4.883 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.966 -14.257 3.885 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.872 -13.420 0.759 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.113 -14.569 2.097 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.478 -14.277 1.459 1.00 0.00 H new ATOM 20 N GLN A 2 14.107 -13.368 4.379 1.00 0.00 N ATOM 21 CA GLN A 2 13.187 -13.569 3.265 1.00 0.00 C ATOM 22 C GLN A 2 13.467 -12.580 2.138 1.00 0.00 C ATOM 23 O GLN A 2 14.301 -11.685 2.276 1.00 0.00 O ATOM 24 CB GLN A 2 11.738 -13.427 3.739 1.00 0.00 C ATOM 25 CG GLN A 2 10.832 -14.547 3.260 1.00 0.00 C ATOM 26 CD GLN A 2 9.475 -14.530 3.940 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.328 -15.000 5.068 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.476 -13.988 3.254 1.00 0.00 N ATOM 0 H GLN A 2 13.654 -13.155 5.268 1.00 0.00 H new ATOM 0 HA GLN A 2 13.339 -14.578 2.881 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.722 -13.398 4.828 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.341 -12.474 3.389 1.00 0.00 H new ATOM 0 HG2 GLN A 2 10.695 -14.463 2.182 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.316 -15.506 3.446 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.644 -13.610 2.321 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.541 -13.949 3.659 1.00 0.00 H new ATOM 37 N ARG A 3 12.760 -12.747 1.024 1.00 0.00 N ATOM 38 CA ARG A 3 12.930 -11.870 -0.126 1.00 0.00 C ATOM 39 C ARG A 3 12.497 -10.452 0.209 1.00 0.00 C ATOM 40 O ARG A 3 13.173 -9.482 -0.130 1.00 0.00 O ATOM 41 CB ARG A 3 12.127 -12.392 -1.318 1.00 0.00 C ATOM 42 CG ARG A 3 12.449 -11.686 -2.626 1.00 0.00 C ATOM 43 CD ARG A 3 13.493 -12.453 -3.428 1.00 0.00 C ATOM 44 NE ARG A 3 13.148 -12.533 -4.847 1.00 0.00 N ATOM 45 CZ ARG A 3 13.779 -13.318 -5.720 1.00 0.00 C ATOM 46 NH1 ARG A 3 14.785 -14.090 -5.326 1.00 0.00 N ATOM 47 NH2 ARG A 3 13.403 -13.331 -6.992 1.00 0.00 N ATOM 0 H ARG A 3 12.065 -13.482 0.895 1.00 0.00 H new ATOM 0 HA ARG A 3 13.988 -11.858 -0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 3 12.318 -13.459 -1.434 1.00 0.00 H new ATOM 0 HB3 ARG A 3 11.064 -12.279 -1.106 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.540 -11.579 -3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 3 12.814 -10.680 -2.418 1.00 0.00 H new ATOM 0 HD2 ARG A 3 14.463 -11.967 -3.318 1.00 0.00 H new ATOM 0 HD3 ARG A 3 13.593 -13.460 -3.023 1.00 0.00 H new ATOM 0 HE ARG A 3 12.380 -11.955 -5.188 1.00 0.00 H new ATOM 0 HH11 ARG A 3 15.080 -14.085 -4.349 1.00 0.00 H new ATOM 0 HH12 ARG A 3 15.263 -14.688 -6.000 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.631 -12.740 -7.302 1.00 0.00 H new ATOM 0 HH22 ARG A 3 13.886 -13.932 -7.660 1.00 0.00 H new ATOM 61 N GLY A 4 11.367 -10.347 0.883 1.00 0.00 N ATOM 62 CA GLY A 4 10.843 -9.052 1.268 1.00 0.00 C ATOM 63 C GLY A 4 10.525 -8.177 0.073 1.00 0.00 C ATOM 64 O GLY A 4 11.364 -7.401 -0.380 1.00 0.00 O ATOM 0 H GLY A 4 10.797 -11.141 1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.940 -9.191 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.569 -8.544 1.903 1.00 0.00 H new ATOM 68 N ILE A 5 9.310 -8.307 -0.443 1.00 0.00 N ATOM 69 CA ILE A 5 8.883 -7.521 -1.593 1.00 0.00 C ATOM 70 C ILE A 5 7.815 -6.497 -1.207 1.00 0.00 C ATOM 71 O ILE A 5 6.683 -6.858 -0.876 1.00 0.00 O ATOM 72 CB ILE A 5 8.317 -8.430 -2.705 1.00 0.00 C ATOM 73 CG1 ILE A 5 9.259 -9.608 -2.964 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.087 -7.633 -3.982 1.00 0.00 C ATOM 75 CD1 ILE A 5 8.925 -10.840 -2.150 1.00 0.00 C ATOM 0 H ILE A 5 8.603 -8.949 -0.084 1.00 0.00 H new ATOM 0 HA ILE A 5 9.765 -6.997 -1.960 1.00 0.00 H new ATOM 0 HB ILE A 5 7.357 -8.826 -2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.226 -9.863 -4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 5 10.281 -9.301 -2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.688 -8.291 -4.754 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.377 -6.830 -3.787 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.032 -7.207 -4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.633 -11.634 -2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.986 -10.602 -1.088 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.915 -11.172 -2.390 1.00 0.00 H new ATOM 87 N VAL A 6 8.174 -5.216 -1.274 1.00 0.00 N ATOM 88 CA VAL A 6 7.235 -4.146 -0.957 1.00 0.00 C ATOM 89 C VAL A 6 6.812 -3.418 -2.230 1.00 0.00 C ATOM 90 O VAL A 6 7.653 -2.944 -2.992 1.00 0.00 O ATOM 91 CB VAL A 6 7.826 -3.108 0.028 1.00 0.00 C ATOM 92 CG1 VAL A 6 9.183 -2.627 -0.450 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.860 -1.940 0.196 1.00 0.00 C ATOM 0 H VAL A 6 9.104 -4.897 -1.544 1.00 0.00 H new ATOM 0 HA VAL A 6 6.377 -4.620 -0.481 1.00 0.00 H new ATOM 0 HB VAL A 6 7.965 -3.584 0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.580 -1.898 0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.865 -3.474 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.080 -2.162 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.284 -1.215 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.694 -1.463 -0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.911 -2.306 0.588 1.00 0.00 H new ATOM 103 N TRP A 7 5.508 -3.319 -2.454 1.00 0.00 N ATOM 104 CA TRP A 7 4.998 -2.629 -3.629 1.00 0.00 C ATOM 105 C TRP A 7 4.239 -1.380 -3.215 1.00 0.00 C ATOM 106 O TRP A 7 3.530 -1.377 -2.210 1.00 0.00 O ATOM 107 CB TRP A 7 4.114 -3.555 -4.462 1.00 0.00 C ATOM 108 CG TRP A 7 4.910 -4.467 -5.352 1.00 0.00 C ATOM 109 CD1 TRP A 7 6.269 -4.598 -5.369 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.407 -5.369 -6.346 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.645 -5.512 -6.320 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.523 -6.005 -6.930 1.00 0.00 C ATOM 113 CE3 TRP A 7 3.128 -5.702 -6.804 1.00 0.00 C ATOM 114 CZ2 TRP A 7 5.394 -6.951 -7.942 1.00 0.00 C ATOM 115 CZ3 TRP A 7 3.005 -6.642 -7.810 1.00 0.00 C ATOM 116 CH2 TRP A 7 4.131 -7.257 -8.369 1.00 0.00 C ATOM 0 H TRP A 7 4.790 -3.705 -1.842 1.00 0.00 H new ATOM 0 HA TRP A 7 5.843 -2.329 -4.249 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.493 -4.154 -3.796 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.440 -2.955 -5.073 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.950 -4.060 -4.726 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.605 -5.781 -6.537 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.253 -5.233 -6.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 6.261 -7.427 -8.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 2.022 -6.907 -8.171 1.00 0.00 H new ATOM 0 HH2 TRP A 7 4.000 -7.988 -9.153 1.00 0.00 H new ATOM 127 N VAL A 8 4.417 -0.310 -3.975 1.00 0.00 N ATOM 128 CA VAL A 8 3.774 0.960 -3.666 1.00 0.00 C ATOM 129 C VAL A 8 2.938 1.457 -4.836 1.00 0.00 C ATOM 130 O VAL A 8 3.278 1.228 -5.989 1.00 0.00 O ATOM 131 CB VAL A 8 4.819 2.043 -3.312 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.240 3.048 -2.328 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.100 1.420 -2.761 1.00 0.00 C ATOM 0 H VAL A 8 5.002 -0.295 -4.811 1.00 0.00 H new ATOM 0 HA VAL A 8 3.126 0.783 -2.808 1.00 0.00 H new ATOM 0 HB VAL A 8 5.076 2.571 -4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.992 3.801 -2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.369 3.531 -2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.944 2.533 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.814 2.208 -2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.870 0.853 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.531 0.754 -3.508 1.00 0.00 H new ATOM 143 N VAL A 9 1.849 2.151 -4.535 1.00 0.00 N ATOM 144 CA VAL A 9 0.991 2.687 -5.583 1.00 0.00 C ATOM 145 C VAL A 9 0.690 4.158 -5.324 1.00 0.00 C ATOM 146 O VAL A 9 0.011 4.508 -4.357 1.00 0.00 O ATOM 147 CB VAL A 9 -0.330 1.893 -5.741 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.495 1.457 -7.186 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.371 0.677 -4.823 1.00 0.00 C ATOM 0 H VAL A 9 1.541 2.355 -3.584 1.00 0.00 H new ATOM 0 HA VAL A 9 1.539 2.586 -6.520 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.152 2.550 -5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.425 0.899 -7.294 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.523 2.336 -7.830 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.344 0.823 -7.473 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.313 0.147 -4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.459 0.012 -5.062 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.288 1.001 -3.786 1.00 0.00 H new ATOM 159 N ASP A 10 1.226 5.016 -6.190 1.00 0.00 N ATOM 160 CA ASP A 10 1.047 6.458 -6.061 1.00 0.00 C ATOM 161 C ASP A 10 1.357 7.161 -7.381 1.00 0.00 C ATOM 162 O ASP A 10 1.318 6.548 -8.447 1.00 0.00 O ATOM 163 CB ASP A 10 1.954 6.994 -4.952 1.00 0.00 C ATOM 164 CG ASP A 10 1.287 8.079 -4.130 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.352 8.728 -4.649 1.00 0.00 O ATOM 166 OD2 ASP A 10 1.697 8.281 -2.969 1.00 0.00 O ATOM 0 H ASP A 10 1.790 4.734 -6.992 1.00 0.00 H new ATOM 0 HA ASP A 10 0.007 6.659 -5.803 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.245 6.173 -4.296 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.869 7.388 -5.394 1.00 0.00 H new ATOM 171 N ASP A 11 1.661 8.451 -7.306 1.00 0.00 N ATOM 172 CA ASP A 11 1.966 9.240 -8.496 1.00 0.00 C ATOM 173 C ASP A 11 3.270 8.801 -9.167 1.00 0.00 C ATOM 174 O ASP A 11 3.648 9.344 -10.207 1.00 0.00 O ATOM 175 CB ASP A 11 2.042 10.725 -8.143 1.00 0.00 C ATOM 176 CG ASP A 11 0.776 11.471 -8.511 1.00 0.00 C ATOM 177 OD1 ASP A 11 -0.324 10.935 -8.257 1.00 0.00 O ATOM 178 OD2 ASP A 11 0.883 12.589 -9.055 1.00 0.00 O ATOM 0 H ASP A 11 1.703 8.975 -6.432 1.00 0.00 H new ATOM 0 HA ASP A 11 1.157 9.071 -9.206 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.226 10.833 -7.074 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.889 11.176 -8.660 1.00 0.00 H new ATOM 183 N ASP A 12 3.956 7.820 -8.583 1.00 0.00 N ATOM 184 CA ASP A 12 5.211 7.330 -9.148 1.00 0.00 C ATOM 185 C ASP A 12 6.317 8.381 -9.014 1.00 0.00 C ATOM 186 O ASP A 12 6.227 9.273 -8.174 1.00 0.00 O ATOM 187 CB ASP A 12 5.008 6.951 -10.621 1.00 0.00 C ATOM 188 CG ASP A 12 5.474 5.541 -10.923 1.00 0.00 C ATOM 189 OD1 ASP A 12 4.702 4.593 -10.671 1.00 0.00 O ATOM 190 OD2 ASP A 12 6.613 5.384 -11.414 1.00 0.00 O ATOM 0 H ASP A 12 3.666 7.352 -7.724 1.00 0.00 H new ATOM 0 HA ASP A 12 5.519 6.444 -8.593 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.952 7.044 -10.875 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.551 7.654 -11.253 1.00 0.00 H new ATOM 195 N SER A 13 7.347 8.270 -9.858 1.00 0.00 N ATOM 196 CA SER A 13 8.474 9.202 -9.866 1.00 0.00 C ATOM 197 C SER A 13 8.824 9.727 -8.470 1.00 0.00 C ATOM 198 O SER A 13 9.657 9.147 -7.772 1.00 0.00 O ATOM 199 CB SER A 13 8.170 10.342 -10.830 1.00 0.00 C ATOM 200 OG SER A 13 9.355 11.003 -11.238 1.00 0.00 O ATOM 0 H SER A 13 7.421 7.529 -10.555 1.00 0.00 H new ATOM 0 HA SER A 13 9.358 8.661 -10.204 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.649 9.952 -11.705 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.499 11.056 -10.352 1.00 0.00 H new ATOM 0 HG SER A 13 9.129 11.728 -11.857 1.00 0.00 H new ATOM 206 N SER A 14 8.194 10.824 -8.073 1.00 0.00 N ATOM 207 CA SER A 14 8.445 11.426 -6.767 1.00 0.00 C ATOM 208 C SER A 14 8.285 10.403 -5.648 1.00 0.00 C ATOM 209 O SER A 14 9.242 10.087 -4.941 1.00 0.00 O ATOM 210 CB SER A 14 7.495 12.605 -6.538 1.00 0.00 C ATOM 211 OG SER A 14 7.996 13.791 -7.129 1.00 0.00 O ATOM 0 H SER A 14 7.503 11.318 -8.637 1.00 0.00 H new ATOM 0 HA SER A 14 9.474 11.785 -6.754 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.516 12.373 -6.957 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.355 12.760 -5.468 1.00 0.00 H new ATOM 0 HG SER A 14 7.369 14.527 -6.969 1.00 0.00 H new ATOM 217 N ILE A 15 7.072 9.883 -5.492 1.00 0.00 N ATOM 218 CA ILE A 15 6.799 8.891 -4.459 1.00 0.00 C ATOM 219 C ILE A 15 7.635 7.637 -4.676 1.00 0.00 C ATOM 220 O ILE A 15 7.919 6.896 -3.738 1.00 0.00 O ATOM 221 CB ILE A 15 5.307 8.499 -4.421 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.415 9.743 -4.441 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.012 7.657 -3.189 1.00 0.00 C ATOM 224 CD1 ILE A 15 4.637 10.667 -3.264 1.00 0.00 C ATOM 0 H ILE A 15 6.266 10.131 -6.065 1.00 0.00 H new ATOM 0 HA ILE A 15 7.065 9.349 -3.506 1.00 0.00 H new ATOM 0 HB ILE A 15 5.088 7.908 -5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.595 10.294 -5.364 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.371 9.431 -4.455 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.956 7.388 -3.176 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.617 6.750 -3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.252 8.228 -2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.971 11.526 -3.345 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.428 10.132 -2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.672 11.009 -3.260 1.00 0.00 H new ATOM 236 N ARG A 16 8.018 7.404 -5.925 1.00 0.00 N ATOM 237 CA ARG A 16 8.814 6.237 -6.276 1.00 0.00 C ATOM 238 C ARG A 16 10.248 6.360 -5.764 1.00 0.00 C ATOM 239 O ARG A 16 10.736 5.487 -5.051 1.00 0.00 O ATOM 240 CB ARG A 16 8.813 6.035 -7.795 1.00 0.00 C ATOM 241 CG ARG A 16 9.575 4.798 -8.247 1.00 0.00 C ATOM 242 CD ARG A 16 9.767 4.776 -9.756 1.00 0.00 C ATOM 243 NE ARG A 16 10.655 3.691 -10.175 1.00 0.00 N ATOM 244 CZ ARG A 16 11.786 3.869 -10.855 1.00 0.00 C ATOM 245 NH1 ARG A 16 12.182 5.085 -11.215 1.00 0.00 N ATOM 246 NH2 ARG A 16 12.530 2.819 -11.179 1.00 0.00 N ATOM 0 H ARG A 16 7.789 8.010 -6.713 1.00 0.00 H new ATOM 0 HA ARG A 16 8.362 5.369 -5.796 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.782 5.963 -8.143 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.249 6.914 -8.270 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.548 4.770 -7.756 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.035 3.904 -7.936 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.799 4.662 -10.244 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.179 5.730 -10.084 1.00 0.00 H new ATOM 0 HE ARG A 16 10.391 2.737 -9.930 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.617 5.898 -10.971 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.051 5.205 -11.736 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.235 1.881 -10.907 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.397 2.950 -11.700 1.00 0.00 H new ATOM 260 N TRP A 17 10.926 7.439 -6.141 1.00 0.00 N ATOM 261 CA TRP A 17 12.311 7.653 -5.726 1.00 0.00 C ATOM 262 C TRP A 17 12.458 7.688 -4.209 1.00 0.00 C ATOM 263 O TRP A 17 13.427 7.160 -3.660 1.00 0.00 O ATOM 264 CB TRP A 17 12.856 8.956 -6.312 1.00 0.00 C ATOM 265 CG TRP A 17 14.342 9.085 -6.163 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.297 8.426 -6.881 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.043 9.918 -5.231 1.00 0.00 C ATOM 268 NE1 TRP A 17 16.549 8.801 -6.458 1.00 0.00 N ATOM 269 CE2 TRP A 17 16.420 9.717 -5.446 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.641 10.817 -4.238 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.396 10.380 -4.705 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.611 11.475 -3.503 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.973 11.254 -3.740 1.00 0.00 C ATOM 0 H TRP A 17 10.542 8.177 -6.731 1.00 0.00 H new ATOM 0 HA TRP A 17 12.885 6.808 -6.106 1.00 0.00 H new ATOM 0 HB2 TRP A 17 12.596 9.010 -7.369 1.00 0.00 H new ATOM 0 HB3 TRP A 17 12.372 9.800 -5.821 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.098 7.713 -7.667 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.431 8.454 -6.835 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.593 10.994 -4.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 18.447 10.211 -4.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.312 12.171 -2.733 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.705 11.784 -3.149 1.00 0.00 H new ATOM 284 N VAL A 18 11.518 8.340 -3.535 1.00 0.00 N ATOM 285 CA VAL A 18 11.582 8.466 -2.084 1.00 0.00 C ATOM 286 C VAL A 18 11.446 7.124 -1.379 1.00 0.00 C ATOM 287 O VAL A 18 12.225 6.802 -0.482 1.00 0.00 O ATOM 288 CB VAL A 18 10.506 9.425 -1.528 1.00 0.00 C ATOM 289 CG1 VAL A 18 10.901 9.915 -0.144 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.276 10.607 -2.464 1.00 0.00 C ATOM 0 H VAL A 18 10.708 8.786 -3.966 1.00 0.00 H new ATOM 0 HA VAL A 18 12.570 8.879 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 18 9.570 8.871 -1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.134 10.590 0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.000 9.063 0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.852 10.444 -0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.513 11.262 -2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.206 11.163 -2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.944 10.242 -3.436 1.00 0.00 H new ATOM 300 N LEU A 19 10.441 6.361 -1.764 1.00 0.00 N ATOM 301 CA LEU A 19 10.185 5.070 -1.140 1.00 0.00 C ATOM 302 C LEU A 19 11.048 3.946 -1.711 1.00 0.00 C ATOM 303 O LEU A 19 11.285 2.947 -1.037 1.00 0.00 O ATOM 304 CB LEU A 19 8.700 4.701 -1.262 1.00 0.00 C ATOM 305 CG LEU A 19 8.182 3.717 -0.209 1.00 0.00 C ATOM 306 CD1 LEU A 19 8.620 4.139 1.183 1.00 0.00 C ATOM 307 CD2 LEU A 19 6.667 3.618 -0.276 1.00 0.00 C ATOM 0 H LEU A 19 9.786 6.610 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 19 10.455 5.177 -0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.109 5.615 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.529 4.274 -2.250 1.00 0.00 H new ATOM 0 HG LEU A 19 8.607 2.736 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.241 3.426 1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.709 4.164 1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.225 5.131 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.315 2.915 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.230 4.599 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.369 3.269 -1.265 1.00 0.00 H new ATOM 319 N GLU A 20 11.508 4.095 -2.944 1.00 0.00 N ATOM 320 CA GLU A 20 12.329 3.054 -3.561 1.00 0.00 C ATOM 321 C GLU A 20 13.670 2.896 -2.849 1.00 0.00 C ATOM 322 O GLU A 20 14.014 1.810 -2.385 1.00 0.00 O ATOM 323 CB GLU A 20 12.546 3.332 -5.055 1.00 0.00 C ATOM 324 CG GLU A 20 13.524 4.452 -5.371 1.00 0.00 C ATOM 325 CD GLU A 20 13.696 4.669 -6.862 1.00 0.00 C ATOM 326 OE1 GLU A 20 12.704 5.035 -7.528 1.00 0.00 O ATOM 327 OE2 GLU A 20 14.823 4.473 -7.365 1.00 0.00 O ATOM 0 H GLU A 20 11.333 4.910 -3.532 1.00 0.00 H new ATOM 0 HA GLU A 20 11.784 2.115 -3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.900 2.417 -5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.584 3.574 -5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.174 5.376 -4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.492 4.221 -4.927 1.00 0.00 H new ATOM 334 N ARG A 21 14.422 3.980 -2.784 1.00 0.00 N ATOM 335 CA ARG A 21 15.734 3.971 -2.149 1.00 0.00 C ATOM 336 C ARG A 21 15.640 3.746 -0.640 1.00 0.00 C ATOM 337 O ARG A 21 16.360 2.916 -0.083 1.00 0.00 O ATOM 338 CB ARG A 21 16.471 5.284 -2.438 1.00 0.00 C ATOM 339 CG ARG A 21 16.769 5.502 -3.915 1.00 0.00 C ATOM 340 CD ARG A 21 18.256 5.390 -4.214 1.00 0.00 C ATOM 341 NE ARG A 21 18.504 4.758 -5.510 1.00 0.00 N ATOM 342 CZ ARG A 21 19.147 3.601 -5.672 1.00 0.00 C ATOM 343 NH1 ARG A 21 19.620 2.933 -4.626 1.00 0.00 N ATOM 344 NH2 ARG A 21 19.315 3.107 -6.891 1.00 0.00 N ATOM 0 H ARG A 21 14.147 4.885 -3.165 1.00 0.00 H new ATOM 0 HA ARG A 21 16.294 3.137 -2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.871 6.116 -2.070 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.408 5.295 -1.881 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.223 4.768 -4.508 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.411 6.486 -4.217 1.00 0.00 H new ATOM 0 HD2 ARG A 21 18.705 6.383 -4.202 1.00 0.00 H new ATOM 0 HD3 ARG A 21 18.742 4.811 -3.429 1.00 0.00 H new ATOM 0 HE ARG A 21 18.162 5.234 -6.345 1.00 0.00 H new ATOM 0 HH11 ARG A 21 19.493 3.304 -3.684 1.00 0.00 H new ATOM 0 HH12 ARG A 21 20.110 2.049 -4.764 1.00 0.00 H new ATOM 0 HH21 ARG A 21 18.953 3.612 -7.700 1.00 0.00 H new ATOM 0 HH22 ARG A 21 19.806 2.222 -7.020 1.00 0.00 H new ATOM 358 N ALA A 22 14.770 4.503 0.023 1.00 0.00 N ATOM 359 CA ALA A 22 14.612 4.390 1.471 1.00 0.00 C ATOM 360 C ALA A 22 14.227 2.984 1.902 1.00 0.00 C ATOM 361 O ALA A 22 14.737 2.475 2.899 1.00 0.00 O ATOM 362 CB ALA A 22 13.600 5.406 1.980 1.00 0.00 C ATOM 0 H ALA A 22 14.166 5.198 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 22 15.583 4.605 1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.496 5.306 3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.943 6.413 1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.635 5.228 1.505 1.00 0.00 H new ATOM 368 N LEU A 23 13.345 2.350 1.148 1.00 0.00 N ATOM 369 CA LEU A 23 12.924 0.990 1.469 1.00 0.00 C ATOM 370 C LEU A 23 13.998 -0.002 1.047 1.00 0.00 C ATOM 371 O LEU A 23 14.128 -1.087 1.621 1.00 0.00 O ATOM 372 CB LEU A 23 11.583 0.648 0.826 1.00 0.00 C ATOM 373 CG LEU A 23 10.532 0.143 1.812 1.00 0.00 C ATOM 374 CD1 LEU A 23 9.130 0.358 1.270 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.773 -1.324 2.127 1.00 0.00 C ATOM 0 H LEU A 23 12.908 2.747 0.316 1.00 0.00 H new ATOM 0 HA LEU A 23 12.788 0.924 2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.197 1.534 0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.742 -0.111 0.060 1.00 0.00 H new ATOM 0 HG LEU A 23 10.621 0.715 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.401 -0.010 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.965 1.422 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.016 -0.183 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.018 -1.674 2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.711 -1.908 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.763 -1.444 2.567 1.00 0.00 H new ATOM 387 N ALA A 24 14.799 0.396 0.068 1.00 0.00 N ATOM 388 CA ALA A 24 15.891 -0.439 -0.388 1.00 0.00 C ATOM 389 C ALA A 24 16.903 -0.560 0.736 1.00 0.00 C ATOM 390 O ALA A 24 17.518 -1.608 0.930 1.00 0.00 O ATOM 391 CB ALA A 24 16.531 0.143 -1.640 1.00 0.00 C ATOM 0 H ALA A 24 14.711 1.287 -0.420 1.00 0.00 H new ATOM 0 HA ALA A 24 15.516 -1.428 -0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.348 -0.501 -1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.786 0.209 -2.432 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.918 1.138 -1.422 1.00 0.00 H new ATOM 397 N GLY A 25 17.038 0.524 1.506 1.00 0.00 N ATOM 398 CA GLY A 25 17.938 0.509 2.636 1.00 0.00 C ATOM 399 C GLY A 25 17.451 -0.463 3.691 1.00 0.00 C ATOM 400 O GLY A 25 18.235 -0.966 4.496 1.00 0.00 O ATOM 0 H GLY A 25 16.540 1.403 1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.938 0.227 2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.013 1.510 3.062 1.00 0.00 H new ATOM 404 N ALA A 26 16.147 -0.736 3.671 1.00 0.00 N ATOM 405 CA ALA A 26 15.542 -1.664 4.607 1.00 0.00 C ATOM 406 C ALA A 26 15.846 -3.106 4.202 1.00 0.00 C ATOM 407 O ALA A 26 15.694 -4.031 4.999 1.00 0.00 O ATOM 408 CB ALA A 26 14.036 -1.425 4.708 1.00 0.00 C ATOM 0 H ALA A 26 15.491 -0.321 3.009 1.00 0.00 H new ATOM 0 HA ALA A 26 15.973 -1.492 5.593 1.00 0.00 H new ATOM 0 HB1 ALA A 26 13.602 -2.132 5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 26 13.851 -0.407 5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 26 13.579 -1.565 3.728 1.00 0.00 H new ATOM 414 N GLY A 27 16.300 -3.286 2.956 1.00 0.00 N ATOM 415 CA GLY A 27 16.644 -4.610 2.471 1.00 0.00 C ATOM 416 C GLY A 27 15.529 -5.287 1.693 1.00 0.00 C ATOM 417 O GLY A 27 15.463 -6.515 1.655 1.00 0.00 O ATOM 0 H GLY A 27 16.434 -2.535 2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.525 -4.536 1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.916 -5.238 3.319 1.00 0.00 H new ATOM 421 N LEU A 28 14.640 -4.503 1.081 1.00 0.00 N ATOM 422 CA LEU A 28 13.536 -5.082 0.328 1.00 0.00 C ATOM 423 C LEU A 28 13.368 -4.438 -1.044 1.00 0.00 C ATOM 424 O LEU A 28 13.976 -3.411 -1.347 1.00 0.00 O ATOM 425 CB LEU A 28 12.239 -4.965 1.125 1.00 0.00 C ATOM 426 CG LEU A 28 12.439 -4.900 2.633 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.585 -3.468 3.077 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.300 -5.594 3.365 1.00 0.00 C ATOM 0 H LEU A 28 14.664 -3.483 1.093 1.00 0.00 H new ATOM 0 HA LEU A 28 13.772 -6.133 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.706 -4.071 0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.603 -5.818 0.890 1.00 0.00 H new ATOM 0 HG LEU A 28 13.358 -5.430 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.727 -3.435 4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.447 -3.020 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.686 -2.912 2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.468 -5.533 4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.357 -5.106 3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.258 -6.641 3.063 1.00 0.00 H new ATOM 440 N THR A 29 12.533 -5.065 -1.867 1.00 0.00 N ATOM 441 CA THR A 29 12.262 -4.584 -3.219 1.00 0.00 C ATOM 442 C THR A 29 11.085 -3.617 -3.222 1.00 0.00 C ATOM 443 O THR A 29 9.938 -4.021 -3.026 1.00 0.00 O ATOM 444 CB THR A 29 11.967 -5.770 -4.142 1.00 0.00 C ATOM 445 OG1 THR A 29 13.124 -6.561 -4.323 1.00 0.00 O ATOM 446 CG2 THR A 29 11.476 -5.365 -5.516 1.00 0.00 C ATOM 0 H THR A 29 12.028 -5.915 -1.618 1.00 0.00 H new ATOM 0 HA THR A 29 13.143 -4.054 -3.582 1.00 0.00 H new ATOM 0 HB THR A 29 11.174 -6.326 -3.642 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.916 -7.315 -4.914 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.288 -6.257 -6.113 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.553 -4.793 -5.419 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.233 -4.753 -6.007 1.00 0.00 H new ATOM 454 N CYS A 30 11.373 -2.340 -3.444 1.00 0.00 N ATOM 455 CA CYS A 30 10.332 -1.319 -3.470 1.00 0.00 C ATOM 456 C CYS A 30 10.068 -0.825 -4.884 1.00 0.00 C ATOM 457 O CYS A 30 10.895 -0.134 -5.481 1.00 0.00 O ATOM 458 CB CYS A 30 10.709 -0.146 -2.562 1.00 0.00 C ATOM 459 SG CYS A 30 9.496 1.196 -2.539 1.00 0.00 S ATOM 0 H CYS A 30 12.316 -1.987 -3.608 1.00 0.00 H new ATOM 0 HA CYS A 30 9.414 -1.775 -3.098 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.843 -0.517 -1.546 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.670 0.254 -2.885 1.00 0.00 H new ATOM 0 HG CYS A 30 9.844 2.080 -1.651 1.00 0.00 H new ATOM 465 N THR A 31 8.896 -1.173 -5.404 1.00 0.00 N ATOM 466 CA THR A 31 8.492 -0.757 -6.738 1.00 0.00 C ATOM 467 C THR A 31 7.225 0.086 -6.628 1.00 0.00 C ATOM 468 O THR A 31 6.462 -0.060 -5.673 1.00 0.00 O ATOM 469 CB THR A 31 8.249 -1.979 -7.639 1.00 0.00 C ATOM 470 OG1 THR A 31 8.339 -1.618 -9.007 1.00 0.00 O ATOM 471 CG2 THR A 31 6.894 -2.616 -7.444 1.00 0.00 C ATOM 0 H THR A 31 8.207 -1.746 -4.917 1.00 0.00 H new ATOM 0 HA THR A 31 9.288 -0.165 -7.190 1.00 0.00 H new ATOM 0 HB THR A 31 9.020 -2.695 -7.354 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.183 -2.409 -9.565 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.794 -3.471 -8.113 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.794 -2.949 -6.411 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.114 -1.888 -7.667 1.00 0.00 H new ATOM 479 N THR A 32 7.004 0.976 -7.585 1.00 0.00 N ATOM 480 CA THR A 32 5.826 1.830 -7.544 1.00 0.00 C ATOM 481 C THR A 32 5.007 1.730 -8.821 1.00 0.00 C ATOM 482 O THR A 32 5.476 1.232 -9.844 1.00 0.00 O ATOM 483 CB THR A 32 6.229 3.270 -7.272 1.00 0.00 C ATOM 484 OG1 THR A 32 6.929 3.816 -8.377 1.00 0.00 O ATOM 485 CG2 THR A 32 7.105 3.399 -6.046 1.00 0.00 C ATOM 0 H THR A 32 7.615 1.125 -8.388 1.00 0.00 H new ATOM 0 HA THR A 32 5.192 1.481 -6.729 1.00 0.00 H new ATOM 0 HB THR A 32 5.302 3.817 -7.102 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.336 3.092 -8.897 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.366 4.446 -5.894 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.567 3.029 -5.174 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.015 2.815 -6.186 1.00 0.00 H new ATOM 493 N PHE A 33 3.764 2.183 -8.728 1.00 0.00 N ATOM 494 CA PHE A 33 2.835 2.128 -9.843 1.00 0.00 C ATOM 495 C PHE A 33 2.180 3.487 -10.092 1.00 0.00 C ATOM 496 O PHE A 33 2.411 4.444 -9.352 1.00 0.00 O ATOM 497 CB PHE A 33 1.783 1.055 -9.595 1.00 0.00 C ATOM 498 CG PHE A 33 2.357 -0.325 -9.379 1.00 0.00 C ATOM 499 CD1 PHE A 33 3.242 -0.579 -8.343 1.00 0.00 C ATOM 500 CD2 PHE A 33 2.013 -1.372 -10.218 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.765 -1.842 -8.149 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.532 -2.633 -10.030 1.00 0.00 C ATOM 503 CZ PHE A 33 3.408 -2.874 -8.998 1.00 0.00 C ATOM 0 H PHE A 33 3.375 2.597 -7.881 1.00 0.00 H new ATOM 0 HA PHE A 33 3.396 1.868 -10.741 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.193 1.333 -8.722 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.101 1.025 -10.445 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.527 0.223 -7.678 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.326 -1.196 -11.033 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.452 -2.024 -7.336 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.250 -3.436 -10.695 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.815 -3.864 -8.851 1.00 0.00 H new ATOM 513 N GLU A 34 1.403 3.567 -11.168 1.00 0.00 N ATOM 514 CA GLU A 34 0.752 4.813 -11.575 1.00 0.00 C ATOM 515 C GLU A 34 -0.232 5.361 -10.534 1.00 0.00 C ATOM 516 O GLU A 34 -0.322 6.578 -10.367 1.00 0.00 O ATOM 517 CB GLU A 34 0.021 4.594 -12.906 1.00 0.00 C ATOM 518 CG GLU A 34 -1.283 3.810 -12.781 1.00 0.00 C ATOM 519 CD GLU A 34 -1.383 2.665 -13.770 1.00 0.00 C ATOM 520 OE1 GLU A 34 -0.666 2.695 -14.794 1.00 0.00 O ATOM 521 OE2 GLU A 34 -2.180 1.736 -13.520 1.00 0.00 O ATOM 0 H GLU A 34 1.206 2.776 -11.781 1.00 0.00 H new ATOM 0 HA GLU A 34 1.540 5.559 -11.680 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.193 5.564 -13.354 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.685 4.066 -13.590 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.368 3.416 -11.768 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.124 4.487 -12.932 1.00 0.00 H new ATOM 528 N ASN A 35 -0.969 4.497 -9.843 1.00 0.00 N ATOM 529 CA ASN A 35 -1.930 4.973 -8.847 1.00 0.00 C ATOM 530 C ASN A 35 -2.486 3.841 -8.002 1.00 0.00 C ATOM 531 O ASN A 35 -2.407 3.868 -6.772 1.00 0.00 O ATOM 532 CB ASN A 35 -3.083 5.709 -9.530 1.00 0.00 C ATOM 533 CG ASN A 35 -2.805 7.187 -9.714 1.00 0.00 C ATOM 534 OD1 ASN A 35 -2.814 7.696 -10.835 1.00 0.00 O ATOM 535 ND2 ASN A 35 -2.552 7.884 -8.611 1.00 0.00 N ATOM 0 H ASN A 35 -0.924 3.483 -9.948 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.394 5.655 -8.187 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.273 5.255 -10.503 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.990 5.585 -8.938 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.355 8.883 -8.673 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.555 7.420 -7.703 1.00 0.00 H new ATOM 542 N GLY A 36 -3.062 2.860 -8.668 1.00 0.00 N ATOM 543 CA GLY A 36 -3.646 1.732 -7.967 1.00 0.00 C ATOM 544 C GLY A 36 -3.924 0.552 -8.875 1.00 0.00 C ATOM 545 O GLY A 36 -3.416 -0.546 -8.649 1.00 0.00 O ATOM 0 H GLY A 36 -3.138 2.820 -9.684 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.973 1.419 -7.169 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.576 2.047 -7.494 1.00 0.00 H new ATOM 549 N ASN A 37 -4.739 0.784 -9.899 1.00 0.00 N ATOM 550 CA ASN A 37 -5.107 -0.259 -10.850 1.00 0.00 C ATOM 551 C ASN A 37 -3.887 -1.015 -11.358 1.00 0.00 C ATOM 552 O ASN A 37 -3.954 -2.217 -11.612 1.00 0.00 O ATOM 553 CB ASN A 37 -5.878 0.345 -12.022 1.00 0.00 C ATOM 554 CG ASN A 37 -7.227 -0.323 -12.232 1.00 0.00 C ATOM 555 OD1 ASN A 37 -8.031 -0.388 -11.173 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -7.542 -0.774 -13.333 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.160 1.693 -10.092 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.745 -0.972 -10.328 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.026 1.410 -11.846 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.284 0.252 -12.931 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.894 -0.702 -14.118 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.451 -1.219 -13.461 1.00 0.00 H new ATOM 563 N GLU A 38 -2.775 -0.309 -11.514 1.00 0.00 N ATOM 564 CA GLU A 38 -1.551 -0.931 -12.005 1.00 0.00 C ATOM 565 C GLU A 38 -1.141 -2.137 -11.151 1.00 0.00 C ATOM 566 O GLU A 38 -0.953 -3.232 -11.683 1.00 0.00 O ATOM 567 CB GLU A 38 -0.421 0.092 -12.071 1.00 0.00 C ATOM 568 CG GLU A 38 0.349 0.057 -13.384 1.00 0.00 C ATOM 569 CD GLU A 38 1.714 -0.589 -13.256 1.00 0.00 C ATOM 570 OE1 GLU A 38 1.781 -1.836 -13.225 1.00 0.00 O ATOM 571 OE2 GLU A 38 2.719 0.152 -13.188 1.00 0.00 O ATOM 0 H GLU A 38 -2.694 0.687 -11.310 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.751 -1.299 -13.012 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.835 1.090 -11.928 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.270 -0.087 -11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.235 -0.486 -14.127 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.469 1.075 -13.755 1.00 0.00 H new ATOM 578 N VAL A 39 -1.008 -1.957 -9.831 1.00 0.00 N ATOM 579 CA VAL A 39 -0.630 -3.078 -8.964 1.00 0.00 C ATOM 580 C VAL A 39 -1.638 -4.207 -9.082 1.00 0.00 C ATOM 581 O VAL A 39 -1.275 -5.379 -9.147 1.00 0.00 O ATOM 582 CB VAL A 39 -0.532 -2.675 -7.481 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.014 -3.835 -6.647 1.00 0.00 C ATOM 584 CG2 VAL A 39 0.360 -1.466 -7.319 1.00 0.00 C ATOM 0 H VAL A 39 -1.152 -1.069 -9.350 1.00 0.00 H new ATOM 0 HA VAL A 39 0.355 -3.402 -9.302 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.530 -2.416 -7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.049 -3.532 -5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.694 -4.682 -6.739 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.975 -4.124 -7.001 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.418 -1.195 -6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.359 -1.698 -7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.052 -0.631 -7.886 1.00 0.00 H new ATOM 594 N LEU A 40 -2.911 -3.839 -9.105 1.00 0.00 N ATOM 595 CA LEU A 40 -3.986 -4.812 -9.212 1.00 0.00 C ATOM 596 C LEU A 40 -3.744 -5.761 -10.385 1.00 0.00 C ATOM 597 O LEU A 40 -3.885 -6.976 -10.250 1.00 0.00 O ATOM 598 CB LEU A 40 -5.335 -4.101 -9.372 1.00 0.00 C ATOM 599 CG LEU A 40 -5.491 -2.788 -8.590 1.00 0.00 C ATOM 600 CD1 LEU A 40 -6.922 -2.280 -8.658 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.073 -2.962 -7.137 1.00 0.00 C ATOM 0 H LEU A 40 -3.224 -2.870 -9.051 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.007 -5.400 -8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.493 -3.893 -10.430 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.125 -4.785 -9.060 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.835 -2.052 -9.055 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.005 -1.350 -8.096 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.196 -2.102 -9.698 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.593 -3.024 -8.229 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.194 -2.017 -6.608 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.697 -3.723 -6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.029 -3.271 -7.093 1.00 0.00 H new ATOM 613 N ALA A 41 -3.365 -5.198 -11.527 1.00 0.00 N ATOM 614 CA ALA A 41 -3.090 -5.998 -12.714 1.00 0.00 C ATOM 615 C ALA A 41 -1.769 -6.741 -12.573 1.00 0.00 C ATOM 616 O ALA A 41 -1.678 -7.939 -12.838 1.00 0.00 O ATOM 617 CB ALA A 41 -3.065 -5.113 -13.950 1.00 0.00 C ATOM 0 H ALA A 41 -3.242 -4.194 -11.656 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.887 -6.734 -12.822 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.859 -5.722 -14.830 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.032 -4.623 -14.066 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.287 -4.358 -13.841 1.00 0.00 H new ATOM 623 N ALA A 42 -0.753 -6.010 -12.147 1.00 0.00 N ATOM 624 CA ALA A 42 0.580 -6.574 -11.954 1.00 0.00 C ATOM 625 C ALA A 42 0.560 -7.687 -10.915 1.00 0.00 C ATOM 626 O ALA A 42 1.349 -8.632 -10.979 1.00 0.00 O ATOM 627 CB ALA A 42 1.555 -5.480 -11.537 1.00 0.00 C ATOM 0 H ALA A 42 -0.823 -5.017 -11.926 1.00 0.00 H new ATOM 0 HA ALA A 42 0.909 -7.003 -12.901 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.546 -5.911 -11.396 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.599 -4.716 -12.313 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.219 -5.029 -10.603 1.00 0.00 H new ATOM 633 N LEU A 43 -0.345 -7.560 -9.953 1.00 0.00 N ATOM 634 CA LEU A 43 -0.475 -8.541 -8.886 1.00 0.00 C ATOM 635 C LEU A 43 -1.008 -9.870 -9.403 1.00 0.00 C ATOM 636 O LEU A 43 -0.835 -10.908 -8.768 1.00 0.00 O ATOM 637 CB LEU A 43 -1.396 -8.002 -7.796 1.00 0.00 C ATOM 638 CG LEU A 43 -0.696 -7.152 -6.744 1.00 0.00 C ATOM 639 CD1 LEU A 43 -1.698 -6.288 -6.002 1.00 0.00 C ATOM 640 CD2 LEU A 43 0.070 -8.035 -5.773 1.00 0.00 C ATOM 0 H LEU A 43 -1.002 -6.783 -9.891 1.00 0.00 H new ATOM 0 HA LEU A 43 0.519 -8.719 -8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.181 -7.407 -8.262 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.884 -8.842 -7.301 1.00 0.00 H new ATOM 0 HG LEU A 43 0.014 -6.496 -7.248 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.178 -5.688 -5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.204 -5.629 -6.708 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.433 -6.925 -5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.565 -7.412 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.622 -8.715 -5.276 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.818 -8.612 -6.318 1.00 0.00 H new ATOM 652 N ALA A 44 -1.655 -9.834 -10.560 1.00 0.00 N ATOM 653 CA ALA A 44 -2.212 -11.040 -11.157 1.00 0.00 C ATOM 654 C ALA A 44 -1.140 -12.110 -11.363 1.00 0.00 C ATOM 655 O ALA A 44 -1.455 -13.289 -11.542 1.00 0.00 O ATOM 656 CB ALA A 44 -2.884 -10.707 -12.481 1.00 0.00 C ATOM 0 H ALA A 44 -1.807 -8.984 -11.103 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.955 -11.442 -10.468 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.297 -11.616 -12.918 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.687 -9.989 -12.311 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.151 -10.277 -13.163 1.00 0.00 H new ATOM 662 N SER A 45 0.126 -11.695 -11.348 1.00 0.00 N ATOM 663 CA SER A 45 1.233 -12.615 -11.547 1.00 0.00 C ATOM 664 C SER A 45 2.220 -12.598 -10.376 1.00 0.00 C ATOM 665 O SER A 45 3.208 -13.332 -10.387 1.00 0.00 O ATOM 666 CB SER A 45 1.967 -12.280 -12.844 1.00 0.00 C ATOM 667 OG SER A 45 3.206 -12.963 -12.919 1.00 0.00 O ATOM 0 H SER A 45 0.406 -10.725 -11.200 1.00 0.00 H new ATOM 0 HA SER A 45 0.811 -13.618 -11.608 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.346 -12.552 -13.698 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.137 -11.205 -12.902 1.00 0.00 H new ATOM 0 HG SER A 45 3.487 -13.231 -12.019 1.00 0.00 H new ATOM 673 N LYS A 46 1.955 -11.769 -9.369 1.00 0.00 N ATOM 674 CA LYS A 46 2.839 -11.688 -8.212 1.00 0.00 C ATOM 675 C LYS A 46 2.164 -10.989 -7.038 1.00 0.00 C ATOM 676 O LYS A 46 1.226 -10.215 -7.215 1.00 0.00 O ATOM 677 CB LYS A 46 4.131 -10.948 -8.573 1.00 0.00 C ATOM 678 CG LYS A 46 5.385 -11.612 -8.027 1.00 0.00 C ATOM 679 CD LYS A 46 6.314 -10.597 -7.376 1.00 0.00 C ATOM 680 CE LYS A 46 7.740 -11.116 -7.293 1.00 0.00 C ATOM 681 NZ LYS A 46 8.656 -10.374 -8.204 1.00 0.00 N ATOM 0 H LYS A 46 1.145 -11.151 -9.331 1.00 0.00 H new ATOM 0 HA LYS A 46 3.076 -12.709 -7.914 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.209 -10.879 -9.658 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.075 -9.928 -8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.107 -12.373 -7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.910 -12.122 -8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.297 -9.669 -7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.953 -10.362 -6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.099 -11.029 -6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.756 -12.176 -7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.618 -10.759 -8.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.329 -10.478 -9.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.661 -9.367 -7.946 1.00 0.00 H new ATOM 695 N THR A 47 2.656 -11.264 -5.837 1.00 0.00 N ATOM 696 CA THR A 47 2.115 -10.661 -4.634 1.00 0.00 C ATOM 697 C THR A 47 3.230 -10.262 -3.668 1.00 0.00 C ATOM 698 O THR A 47 3.943 -11.121 -3.150 1.00 0.00 O ATOM 699 CB THR A 47 1.141 -11.616 -3.942 1.00 0.00 C ATOM 700 OG1 THR A 47 0.056 -11.931 -4.797 1.00 0.00 O ATOM 701 CG2 THR A 47 0.566 -11.058 -2.656 1.00 0.00 C ATOM 0 H THR A 47 3.433 -11.905 -5.674 1.00 0.00 H new ATOM 0 HA THR A 47 1.576 -9.760 -4.929 1.00 0.00 H new ATOM 0 HB THR A 47 1.727 -12.504 -3.703 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.555 -12.544 -4.338 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.117 -11.786 -2.217 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.375 -10.850 -1.956 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.025 -10.136 -2.869 1.00 0.00 H new ATOM 709 N PRO A 48 3.385 -8.956 -3.395 1.00 0.00 N ATOM 710 CA PRO A 48 4.403 -8.469 -2.470 1.00 0.00 C ATOM 711 C PRO A 48 4.041 -8.802 -1.029 1.00 0.00 C ATOM 712 O PRO A 48 2.902 -9.165 -0.741 1.00 0.00 O ATOM 713 CB PRO A 48 4.398 -6.957 -2.691 1.00 0.00 C ATOM 714 CG PRO A 48 3.022 -6.653 -3.171 1.00 0.00 C ATOM 715 CD PRO A 48 2.570 -7.860 -3.946 1.00 0.00 C ATOM 0 HA PRO A 48 5.378 -8.923 -2.644 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.624 -6.421 -1.769 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.148 -6.661 -3.424 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.353 -6.455 -2.334 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.017 -5.763 -3.800 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.505 -8.046 -3.811 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.738 -7.735 -5.016 1.00 0.00 H new ATOM 723 N ASP A 49 5.005 -8.692 -0.131 1.00 0.00 N ATOM 724 CA ASP A 49 4.761 -8.997 1.270 1.00 0.00 C ATOM 725 C ASP A 49 3.966 -7.882 1.950 1.00 0.00 C ATOM 726 O ASP A 49 3.257 -8.124 2.925 1.00 0.00 O ATOM 727 CB ASP A 49 6.087 -9.216 2.005 1.00 0.00 C ATOM 728 CG ASP A 49 6.794 -10.478 1.554 1.00 0.00 C ATOM 729 OD1 ASP A 49 7.386 -10.469 0.454 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.759 -11.479 2.302 1.00 0.00 O ATOM 0 H ASP A 49 5.958 -8.396 -0.344 1.00 0.00 H new ATOM 0 HA ASP A 49 4.171 -9.912 1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.738 -8.358 1.838 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.900 -9.270 3.078 1.00 0.00 H new ATOM 735 N VAL A 50 4.096 -6.658 1.436 1.00 0.00 N ATOM 736 CA VAL A 50 3.392 -5.513 2.011 1.00 0.00 C ATOM 737 C VAL A 50 3.044 -4.470 0.941 1.00 0.00 C ATOM 738 O VAL A 50 3.918 -3.750 0.460 1.00 0.00 O ATOM 739 CB VAL A 50 4.250 -4.856 3.106 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.583 -4.419 2.531 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.519 -3.687 3.746 1.00 0.00 C ATOM 0 H VAL A 50 4.678 -6.436 0.628 1.00 0.00 H new ATOM 0 HA VAL A 50 2.463 -5.883 2.444 1.00 0.00 H new ATOM 0 HB VAL A 50 4.436 -5.592 3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.183 -3.955 3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.111 -5.287 2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.415 -3.700 1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.149 -3.242 4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.292 -2.940 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.591 -4.040 4.196 1.00 0.00 H new ATOM 751 N LEU A 51 1.768 -4.416 0.554 1.00 0.00 N ATOM 752 CA LEU A 51 1.306 -3.476 -0.476 1.00 0.00 C ATOM 753 C LEU A 51 0.939 -2.105 0.100 1.00 0.00 C ATOM 754 O LEU A 51 0.202 -2.008 1.082 1.00 0.00 O ATOM 755 CB LEU A 51 0.109 -4.073 -1.225 1.00 0.00 C ATOM 756 CG LEU A 51 -0.347 -3.307 -2.474 1.00 0.00 C ATOM 757 CD1 LEU A 51 0.826 -3.078 -3.415 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.474 -4.060 -3.188 1.00 0.00 C ATOM 0 H LEU A 51 1.034 -5.011 0.937 1.00 0.00 H new ATOM 0 HA LEU A 51 2.134 -3.318 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.360 -5.092 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.732 -4.138 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.731 -2.336 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.485 -2.534 -4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.594 -2.497 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.240 -4.039 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.783 -3.500 -4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.119 -5.046 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.323 -4.170 -2.513 1.00 0.00 H new ATOM 770 N LEU A 52 1.445 -1.048 -0.542 1.00 0.00 N ATOM 771 CA LEU A 52 1.169 0.331 -0.126 1.00 0.00 C ATOM 772 C LEU A 52 0.369 1.060 -1.205 1.00 0.00 C ATOM 773 O LEU A 52 0.800 1.132 -2.357 1.00 0.00 O ATOM 774 CB LEU A 52 2.481 1.081 0.135 1.00 0.00 C ATOM 775 CG LEU A 52 2.544 1.860 1.451 1.00 0.00 C ATOM 776 CD1 LEU A 52 3.992 2.086 1.867 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.812 3.189 1.324 1.00 0.00 C ATOM 0 H LEU A 52 2.053 -1.122 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 52 0.585 0.302 0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.300 0.362 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.652 1.776 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 52 2.050 1.270 2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.019 2.641 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.487 1.124 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.508 2.655 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.868 3.727 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.275 3.786 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.767 3.006 1.072 1.00 0.00 H new ATOM 789 N SER A 53 -0.799 1.587 -0.838 1.00 0.00 N ATOM 790 CA SER A 53 -1.647 2.290 -1.800 1.00 0.00 C ATOM 791 C SER A 53 -2.013 3.697 -1.329 1.00 0.00 C ATOM 792 O SER A 53 -2.314 3.924 -0.157 1.00 0.00 O ATOM 793 CB SER A 53 -2.921 1.482 -2.063 1.00 0.00 C ATOM 794 OG SER A 53 -2.935 0.965 -3.382 1.00 0.00 O ATOM 0 H SER A 53 -1.177 1.541 0.108 1.00 0.00 H new ATOM 0 HA SER A 53 -1.076 2.392 -2.723 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.990 0.663 -1.347 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.795 2.115 -1.908 1.00 0.00 H new ATOM 0 HG SER A 53 -2.818 -0.008 -3.353 1.00 0.00 H new ATOM 800 N ASP A 54 -2.002 4.638 -2.264 1.00 0.00 N ATOM 801 CA ASP A 54 -2.355 6.016 -1.961 1.00 0.00 C ATOM 802 C ASP A 54 -3.870 6.191 -1.990 1.00 0.00 C ATOM 803 O ASP A 54 -4.614 5.213 -2.065 1.00 0.00 O ATOM 804 CB ASP A 54 -1.700 6.970 -2.965 1.00 0.00 C ATOM 805 CG ASP A 54 -1.090 8.184 -2.292 1.00 0.00 C ATOM 806 OD1 ASP A 54 -0.456 8.015 -1.229 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.247 9.302 -2.829 1.00 0.00 O ATOM 0 H ASP A 54 -1.752 4.471 -3.239 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.989 6.254 -0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.927 6.437 -3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.444 7.296 -3.692 1.00 0.00 H new ATOM 812 N ILE A 55 -4.321 7.437 -1.933 1.00 0.00 N ATOM 813 CA ILE A 55 -5.743 7.737 -1.958 1.00 0.00 C ATOM 814 C ILE A 55 -5.997 9.146 -2.489 1.00 0.00 C ATOM 815 O ILE A 55 -6.018 10.112 -1.731 1.00 0.00 O ATOM 816 CB ILE A 55 -6.357 7.582 -0.552 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.802 8.100 -0.506 1.00 0.00 C ATOM 818 CG2 ILE A 55 -5.507 8.292 0.480 1.00 0.00 C ATOM 819 CD1 ILE A 55 -8.426 8.043 0.874 1.00 0.00 C ATOM 0 H ILE A 55 -3.719 8.258 -1.869 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.222 7.025 -2.630 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.379 6.518 -0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.821 9.130 -0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.411 7.514 -1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.956 8.172 1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.505 7.864 0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.448 9.353 0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.446 8.425 0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.440 7.011 1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.841 8.652 1.563 1.00 0.00 H new ATOM 831 N ARG A 56 -6.189 9.247 -3.804 1.00 0.00 N ATOM 832 CA ARG A 56 -6.448 10.530 -4.453 1.00 0.00 C ATOM 833 C ARG A 56 -6.452 10.387 -5.974 1.00 0.00 C ATOM 834 O ARG A 56 -5.830 11.183 -6.679 1.00 0.00 O ATOM 835 CB ARG A 56 -5.403 11.573 -4.038 1.00 0.00 C ATOM 836 CG ARG A 56 -3.969 11.149 -4.317 1.00 0.00 C ATOM 837 CD ARG A 56 -2.970 12.172 -3.795 1.00 0.00 C ATOM 838 NE ARG A 56 -2.863 13.337 -4.672 1.00 0.00 N ATOM 839 CZ ARG A 56 -1.769 14.090 -4.782 1.00 0.00 C ATOM 840 NH1 ARG A 56 -0.685 13.814 -4.067 1.00 0.00 N ATOM 841 NH2 ARG A 56 -1.760 15.125 -5.610 1.00 0.00 N ATOM 0 H ARG A 56 -6.170 8.452 -4.442 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.433 10.866 -4.130 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.605 12.506 -4.564 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.511 11.778 -2.973 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.778 10.182 -3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.830 11.019 -5.390 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.271 12.496 -2.799 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.991 11.703 -3.695 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.676 13.589 -5.234 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.685 13.020 -3.427 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.148 14.396 -4.158 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.590 15.344 -6.162 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.924 15.702 -5.695 1.00 0.00 H new ATOM 855 N MET A 57 -7.154 9.375 -6.484 1.00 0.00 N ATOM 856 CA MET A 57 -7.219 9.158 -7.928 1.00 0.00 C ATOM 857 C MET A 57 -8.444 8.326 -8.337 1.00 0.00 C ATOM 858 O MET A 57 -9.319 8.825 -9.044 1.00 0.00 O ATOM 859 CB MET A 57 -5.927 8.505 -8.432 1.00 0.00 C ATOM 860 CG MET A 57 -5.820 8.459 -9.948 1.00 0.00 C ATOM 861 SD MET A 57 -4.985 9.905 -10.628 1.00 0.00 S ATOM 862 CE MET A 57 -6.355 11.051 -10.768 1.00 0.00 C ATOM 0 H MET A 57 -7.679 8.701 -5.927 1.00 0.00 H new ATOM 0 HA MET A 57 -7.326 10.136 -8.397 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.073 9.052 -8.032 1.00 0.00 H new ATOM 0 HB3 MET A 57 -5.866 7.489 -8.041 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.280 7.560 -10.243 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.819 8.386 -10.377 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.286 11.586 -11.715 1.00 0.00 H new ATOM 0 HE2 MET A 57 -7.295 10.501 -10.730 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.318 11.764 -9.945 1.00 0.00 H new ATOM 872 N PRO A 58 -8.535 7.049 -7.910 1.00 0.00 N ATOM 873 CA PRO A 58 -9.670 6.181 -8.259 1.00 0.00 C ATOM 874 C PRO A 58 -11.016 6.796 -7.887 1.00 0.00 C ATOM 875 O PRO A 58 -11.077 7.869 -7.287 1.00 0.00 O ATOM 876 CB PRO A 58 -9.423 4.904 -7.442 1.00 0.00 C ATOM 877 CG PRO A 58 -8.396 5.278 -6.426 1.00 0.00 C ATOM 878 CD PRO A 58 -7.560 6.344 -7.068 1.00 0.00 C ATOM 0 HA PRO A 58 -9.723 6.009 -9.334 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.340 4.559 -6.965 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.070 4.092 -8.078 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.864 5.645 -5.513 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.788 4.417 -6.149 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.109 7.006 -6.329 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -6.746 5.921 -7.657 1.00 0.00 H new ATOM 886 N GLY A 59 -12.096 6.103 -8.247 1.00 0.00 N ATOM 887 CA GLY A 59 -13.433 6.589 -7.941 1.00 0.00 C ATOM 888 C GLY A 59 -13.597 6.929 -6.473 1.00 0.00 C ATOM 889 O GLY A 59 -13.889 8.071 -6.122 1.00 0.00 O ATOM 0 H GLY A 59 -12.069 5.213 -8.745 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.643 7.473 -8.543 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.166 5.832 -8.221 1.00 0.00 H new ATOM 893 N MET A 60 -13.396 5.936 -5.612 1.00 0.00 N ATOM 894 CA MET A 60 -13.509 6.134 -4.172 1.00 0.00 C ATOM 895 C MET A 60 -12.215 6.718 -3.609 1.00 0.00 C ATOM 896 O MET A 60 -11.650 6.183 -2.654 1.00 0.00 O ATOM 897 CB MET A 60 -13.823 4.808 -3.476 1.00 0.00 C ATOM 898 CG MET A 60 -14.694 4.961 -2.239 1.00 0.00 C ATOM 899 SD MET A 60 -16.358 4.300 -2.470 1.00 0.00 S ATOM 900 CE MET A 60 -16.800 3.900 -0.781 1.00 0.00 C ATOM 0 H MET A 60 -13.154 4.984 -5.888 1.00 0.00 H new ATOM 0 HA MET A 60 -14.323 6.835 -3.986 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.323 4.146 -4.183 1.00 0.00 H new ATOM 0 HB3 MET A 60 -12.888 4.325 -3.194 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.219 4.452 -1.400 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.760 6.016 -1.975 1.00 0.00 H new ATOM 0 HE1 MET A 60 -17.145 2.867 -0.730 1.00 0.00 H new ATOM 0 HE2 MET A 60 -15.929 4.023 -0.138 1.00 0.00 H new ATOM 0 HE3 MET A 60 -17.596 4.565 -0.446 1.00 0.00 H new ATOM 910 N ASP A 61 -11.756 7.815 -4.210 1.00 0.00 N ATOM 911 CA ASP A 61 -10.528 8.483 -3.784 1.00 0.00 C ATOM 912 C ASP A 61 -9.343 7.523 -3.805 1.00 0.00 C ATOM 913 O ASP A 61 -8.462 7.619 -4.657 1.00 0.00 O ATOM 914 CB ASP A 61 -10.703 9.071 -2.384 1.00 0.00 C ATOM 915 CG ASP A 61 -10.842 10.579 -2.406 1.00 0.00 C ATOM 916 OD1 ASP A 61 -10.219 11.218 -3.280 1.00 0.00 O ATOM 917 OD2 ASP A 61 -11.573 11.122 -1.552 1.00 0.00 O ATOM 0 H ASP A 61 -12.221 8.263 -5.000 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.323 9.291 -4.487 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.586 8.634 -1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.847 8.796 -1.768 1.00 0.00 H new ATOM 922 N GLY A 62 -9.337 6.599 -2.856 1.00 0.00 N ATOM 923 CA GLY A 62 -8.272 5.624 -2.759 1.00 0.00 C ATOM 924 C GLY A 62 -8.768 4.306 -2.216 1.00 0.00 C ATOM 925 O GLY A 62 -8.318 3.243 -2.636 1.00 0.00 O ATOM 0 H GLY A 62 -10.061 6.507 -2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.830 5.469 -3.743 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.483 6.010 -2.113 1.00 0.00 H new ATOM 929 N LEU A 63 -9.710 4.371 -1.282 1.00 0.00 N ATOM 930 CA LEU A 63 -10.269 3.168 -0.691 1.00 0.00 C ATOM 931 C LEU A 63 -10.769 2.224 -1.779 1.00 0.00 C ATOM 932 O LEU A 63 -10.838 1.011 -1.578 1.00 0.00 O ATOM 933 CB LEU A 63 -11.382 3.507 0.304 1.00 0.00 C ATOM 934 CG LEU A 63 -11.019 4.583 1.332 1.00 0.00 C ATOM 935 CD1 LEU A 63 -11.419 5.969 0.846 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.646 4.276 2.680 1.00 0.00 C ATOM 0 H LEU A 63 -10.099 5.242 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.480 2.661 -0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.259 3.837 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.665 2.598 0.835 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.936 4.576 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.148 6.710 1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.900 6.191 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.496 5.999 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.374 5.054 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.731 4.241 2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.284 3.312 3.039 1.00 0.00 H new ATOM 948 N ALA A 64 -11.088 2.786 -2.947 1.00 0.00 N ATOM 949 CA ALA A 64 -11.543 1.984 -4.076 1.00 0.00 C ATOM 950 C ALA A 64 -10.499 0.924 -4.418 1.00 0.00 C ATOM 951 O ALA A 64 -10.834 -0.187 -4.828 1.00 0.00 O ATOM 952 CB ALA A 64 -11.810 2.875 -5.280 1.00 0.00 C ATOM 0 H ALA A 64 -11.039 3.788 -3.132 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.472 1.484 -3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.149 2.264 -6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.579 3.605 -5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.893 3.395 -5.558 1.00 0.00 H new ATOM 958 N LEU A 65 -9.231 1.281 -4.230 1.00 0.00 N ATOM 959 CA LEU A 65 -8.122 0.371 -4.500 1.00 0.00 C ATOM 960 C LEU A 65 -8.240 -0.881 -3.640 1.00 0.00 C ATOM 961 O LEU A 65 -7.901 -1.981 -4.075 1.00 0.00 O ATOM 962 CB LEU A 65 -6.786 1.067 -4.208 1.00 0.00 C ATOM 963 CG LEU A 65 -5.939 1.410 -5.435 1.00 0.00 C ATOM 964 CD1 LEU A 65 -5.368 2.818 -5.317 1.00 0.00 C ATOM 965 CD2 LEU A 65 -4.824 0.390 -5.613 1.00 0.00 C ATOM 0 H LEU A 65 -8.945 2.199 -3.890 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.159 0.086 -5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.988 1.987 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.199 0.426 -3.551 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.579 1.376 -6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.769 3.043 -6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.184 3.536 -5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.742 2.883 -4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.231 0.649 -6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.185 0.391 -4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.256 -0.602 -5.747 1.00 0.00 H new ATOM 977 N LEU A 66 -8.721 -0.700 -2.417 1.00 0.00 N ATOM 978 CA LEU A 66 -8.888 -1.810 -1.485 1.00 0.00 C ATOM 979 C LEU A 66 -9.906 -2.793 -2.025 1.00 0.00 C ATOM 980 O LEU A 66 -9.705 -4.006 -1.983 1.00 0.00 O ATOM 981 CB LEU A 66 -9.321 -1.301 -0.108 1.00 0.00 C ATOM 982 CG LEU A 66 -8.250 -0.519 0.660 1.00 0.00 C ATOM 983 CD1 LEU A 66 -6.977 -1.339 0.794 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.956 0.799 -0.036 1.00 0.00 C ATOM 0 H LEU A 66 -9.003 0.207 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.929 -2.317 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.196 -0.663 -0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.631 -2.153 0.497 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.631 -0.310 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.230 -0.765 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.193 -2.261 1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.593 -1.580 -0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.193 1.343 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.597 0.605 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.866 1.397 -0.083 1.00 0.00 H new ATOM 996 N LYS A 67 -11.000 -2.257 -2.549 1.00 0.00 N ATOM 997 CA LYS A 67 -12.049 -3.084 -3.121 1.00 0.00 C ATOM 998 C LYS A 67 -11.464 -4.042 -4.156 1.00 0.00 C ATOM 999 O LYS A 67 -11.699 -5.250 -4.107 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.127 -2.210 -3.760 1.00 0.00 C ATOM 1001 CG LYS A 67 -13.996 -1.484 -2.744 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.158 -2.352 -2.286 1.00 0.00 C ATOM 1003 CE LYS A 67 -14.779 -3.205 -1.087 1.00 0.00 C ATOM 1004 NZ LYS A 67 -15.976 -3.662 -0.330 1.00 0.00 N ATOM 0 H LYS A 67 -11.182 -1.254 -2.589 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.504 -3.669 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.651 -1.476 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.761 -2.832 -4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.391 -1.199 -1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.379 -0.563 -3.183 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.007 -1.719 -2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.477 -2.996 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.210 -4.071 -1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.128 -2.633 -0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.951 -3.266 0.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.838 -3.339 -0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.977 -4.701 -0.276 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.685 -3.495 -5.086 1.00 0.00 N ATOM 1019 CA GLN A 68 -10.052 -4.305 -6.119 1.00 0.00 C ATOM 1020 C GLN A 68 -9.085 -5.305 -5.496 1.00 0.00 C ATOM 1021 O GLN A 68 -8.967 -6.444 -5.952 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.283 -3.429 -7.110 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.082 -2.271 -7.683 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.288 -2.727 -8.482 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -12.404 -2.782 -7.967 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -11.066 -3.061 -9.749 1.00 0.00 N ATOM 0 H GLN A 68 -10.479 -2.498 -5.144 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.843 -4.837 -6.648 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.398 -3.032 -6.613 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.933 -4.054 -7.932 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.414 -1.627 -6.869 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.435 -1.670 -8.322 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.124 -3.000 -10.135 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.838 -3.378 -10.336 1.00 0.00 H new ATOM 1035 N ILE A 69 -8.379 -4.859 -4.459 1.00 0.00 N ATOM 1036 CA ILE A 69 -7.400 -5.696 -3.774 1.00 0.00 C ATOM 1037 C ILE A 69 -8.015 -7.007 -3.300 1.00 0.00 C ATOM 1038 O ILE A 69 -7.433 -8.078 -3.476 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.764 -4.953 -2.572 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -5.845 -3.828 -3.065 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.986 -5.924 -1.693 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.755 -2.649 -2.126 1.00 0.00 C ATOM 0 H ILE A 69 -8.468 -3.918 -4.074 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.619 -5.923 -4.500 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.565 -4.514 -1.977 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.845 -4.232 -3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.202 -3.480 -4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.547 -5.384 -0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.660 -6.693 -1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.194 -6.391 -2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.086 -1.898 -2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.746 -2.216 -1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.368 -2.980 -1.162 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.180 -6.913 -2.691 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.870 -8.091 -2.174 1.00 0.00 C ATOM 1056 C LYS A 70 -10.389 -8.981 -3.297 1.00 0.00 C ATOM 1057 O LYS A 70 -10.575 -10.186 -3.110 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.026 -7.677 -1.260 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.147 -6.946 -1.976 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.471 -7.099 -1.241 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.562 -7.634 -2.155 1.00 0.00 C ATOM 1062 NZ LYS A 70 -14.454 -9.105 -2.351 1.00 0.00 N ATOM 0 H LYS A 70 -9.674 -6.034 -2.539 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.144 -8.666 -1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.434 -8.567 -0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.638 -7.038 -0.467 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.897 -5.888 -2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.246 -7.333 -2.990 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.342 -7.774 -0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.776 -6.134 -0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.538 -7.395 -1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.502 -7.134 -3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.216 -9.428 -2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.533 -9.332 -2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.537 -9.585 -1.432 1.00 0.00 H new ATOM 1076 N GLN A 71 -10.640 -8.386 -4.453 1.00 0.00 N ATOM 1077 CA GLN A 71 -11.158 -9.128 -5.594 1.00 0.00 C ATOM 1078 C GLN A 71 -10.051 -9.782 -6.414 1.00 0.00 C ATOM 1079 O GLN A 71 -10.207 -10.903 -6.901 1.00 0.00 O ATOM 1080 CB GLN A 71 -11.989 -8.206 -6.489 1.00 0.00 C ATOM 1081 CG GLN A 71 -13.377 -7.912 -5.939 1.00 0.00 C ATOM 1082 CD GLN A 71 -13.947 -6.610 -6.463 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -15.018 -6.586 -7.070 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -13.231 -5.518 -6.229 1.00 0.00 N ATOM 0 H GLN A 71 -10.494 -7.392 -4.627 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.787 -9.926 -5.198 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.454 -7.266 -6.624 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.087 -8.661 -7.474 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -14.048 -8.730 -6.201 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.332 -7.873 -4.851 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.349 -5.586 -5.722 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.563 -4.611 -6.557 1.00 0.00 H new ATOM 1093 N ARG A 72 -8.949 -9.070 -6.588 1.00 0.00 N ATOM 1094 CA ARG A 72 -7.831 -9.578 -7.384 1.00 0.00 C ATOM 1095 C ARG A 72 -6.684 -10.097 -6.524 1.00 0.00 C ATOM 1096 O ARG A 72 -6.075 -11.118 -6.841 1.00 0.00 O ATOM 1097 CB ARG A 72 -7.313 -8.490 -8.329 1.00 0.00 C ATOM 1098 CG ARG A 72 -8.361 -7.981 -9.305 1.00 0.00 C ATOM 1099 CD ARG A 72 -7.802 -7.875 -10.714 1.00 0.00 C ATOM 1100 NE ARG A 72 -7.356 -6.517 -11.028 1.00 0.00 N ATOM 1101 CZ ARG A 72 -7.828 -5.787 -12.040 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -8.778 -6.264 -12.835 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -7.352 -4.570 -12.254 1.00 0.00 N ATOM 0 H ARG A 72 -8.800 -8.142 -6.193 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.214 -10.420 -7.960 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.943 -7.653 -7.737 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.465 -8.882 -8.891 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.220 -8.653 -9.302 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.719 -7.004 -8.980 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.966 -8.566 -10.825 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.565 -8.180 -11.430 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.638 -6.102 -10.435 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.155 -7.198 -12.675 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.131 -5.696 -13.605 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.626 -4.192 -11.646 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.712 -4.010 -13.027 1.00 0.00 H new ATOM 1117 N HIS A 73 -6.379 -9.384 -5.454 1.00 0.00 N ATOM 1118 CA HIS A 73 -5.281 -9.779 -4.572 1.00 0.00 C ATOM 1119 C HIS A 73 -5.748 -10.791 -3.527 1.00 0.00 C ATOM 1120 O HIS A 73 -6.818 -10.636 -2.940 1.00 0.00 O ATOM 1121 CB HIS A 73 -4.667 -8.563 -3.865 1.00 0.00 C ATOM 1122 CG HIS A 73 -4.637 -7.308 -4.685 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -4.197 -6.100 -4.194 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -4.992 -7.075 -5.969 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -4.284 -5.183 -5.142 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -4.767 -5.751 -6.230 1.00 0.00 N ATOM 0 H HIS A 73 -6.868 -8.535 -5.172 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.520 -10.243 -5.200 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.229 -8.370 -2.951 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.648 -8.810 -3.567 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -3.857 -5.938 -3.246 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -5.383 -7.804 -6.664 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.006 -4.144 -5.042 1.00 0.00 H new ATOM 1135 N PRO A 74 -4.947 -11.846 -3.273 1.00 0.00 N ATOM 1136 CA PRO A 74 -5.290 -12.876 -2.290 1.00 0.00 C ATOM 1137 C PRO A 74 -5.289 -12.335 -0.863 1.00 0.00 C ATOM 1138 O PRO A 74 -4.415 -12.669 -0.067 1.00 0.00 O ATOM 1139 CB PRO A 74 -4.187 -13.934 -2.458 1.00 0.00 C ATOM 1140 CG PRO A 74 -3.512 -13.605 -3.746 1.00 0.00 C ATOM 1141 CD PRO A 74 -3.653 -12.122 -3.915 1.00 0.00 C ATOM 0 HA PRO A 74 -6.295 -13.266 -2.453 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.483 -13.902 -1.627 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.608 -14.939 -2.481 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.462 -13.898 -3.723 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.974 -14.139 -4.577 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.839 -11.580 -3.434 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.652 -11.832 -4.966 1.00 0.00 H new ATOM 1149 N MET A 75 -6.273 -11.498 -0.547 1.00 0.00 N ATOM 1150 CA MET A 75 -6.391 -10.910 0.787 1.00 0.00 C ATOM 1151 C MET A 75 -5.068 -10.283 1.232 1.00 0.00 C ATOM 1152 O MET A 75 -4.724 -10.297 2.415 1.00 0.00 O ATOM 1153 CB MET A 75 -6.877 -11.967 1.794 1.00 0.00 C ATOM 1154 CG MET A 75 -5.777 -12.818 2.418 1.00 0.00 C ATOM 1155 SD MET A 75 -6.207 -14.571 2.468 1.00 0.00 S ATOM 1156 CE MET A 75 -5.160 -15.145 3.799 1.00 0.00 C ATOM 0 H MET A 75 -7.003 -11.210 -1.198 1.00 0.00 H new ATOM 0 HA MET A 75 -7.131 -10.111 0.748 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.422 -11.463 2.592 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.585 -12.627 1.292 1.00 0.00 H new ATOM 0 HG2 MET A 75 -4.855 -12.689 1.850 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.580 -12.466 3.431 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.315 -16.214 3.949 1.00 0.00 H new ATOM 0 HE2 MET A 75 -4.116 -14.961 3.546 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.410 -14.610 4.715 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.333 -9.735 0.267 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.045 -9.103 0.535 1.00 0.00 C ATOM 1168 C LEU A 76 -3.213 -7.830 1.366 1.00 0.00 C ATOM 1169 O LEU A 76 -4.045 -6.978 1.046 1.00 0.00 O ATOM 1170 CB LEU A 76 -2.347 -8.772 -0.785 1.00 0.00 C ATOM 1171 CG LEU A 76 -0.990 -8.079 -0.653 1.00 0.00 C ATOM 1172 CD1 LEU A 76 0.078 -9.080 -0.243 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -0.613 -7.402 -1.963 1.00 0.00 C ATOM 0 H LEU A 76 -4.611 -9.717 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.436 -9.803 1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.211 -9.696 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.006 -8.135 -1.375 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.062 -7.316 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.038 -8.572 -0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.189 -9.524 0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.151 -9.863 -0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.355 -6.913 -1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.555 -8.149 -2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.368 -6.659 -2.219 1.00 0.00 H new ATOM 1185 N PRO A 77 -2.416 -7.672 2.443 1.00 0.00 N ATOM 1186 CA PRO A 77 -2.485 -6.487 3.304 1.00 0.00 C ATOM 1187 C PRO A 77 -2.105 -5.214 2.557 1.00 0.00 C ATOM 1188 O PRO A 77 -1.051 -5.143 1.923 1.00 0.00 O ATOM 1189 CB PRO A 77 -1.476 -6.779 4.420 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.566 -7.818 3.863 1.00 0.00 C ATOM 1191 CD PRO A 77 -1.391 -8.626 2.900 1.00 0.00 C ATOM 0 HA PRO A 77 -3.496 -6.314 3.674 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.925 -5.880 4.697 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.977 -7.136 5.320 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.285 -7.360 3.358 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.164 -8.449 4.656 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.790 -8.998 2.070 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.838 -9.494 3.384 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.976 -4.212 2.625 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.743 -2.941 1.946 1.00 0.00 C ATOM 1201 C VAL A 78 -2.658 -1.786 2.939 1.00 0.00 C ATOM 1202 O VAL A 78 -3.315 -1.797 3.982 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.864 -2.640 0.930 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.457 -1.517 -0.013 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.228 -3.891 0.144 1.00 0.00 C ATOM 0 H VAL A 78 -3.852 -4.256 3.145 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.792 -3.034 1.422 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.743 -2.315 1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.265 -1.324 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.255 -0.614 0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.559 -1.808 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.020 -3.656 -0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.351 -4.250 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.573 -4.664 0.830 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.847 -0.791 2.604 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.676 0.374 3.458 1.00 0.00 C ATOM 1217 C ILE A 79 -2.016 1.657 2.712 1.00 0.00 C ATOM 1218 O ILE A 79 -1.323 2.044 1.773 1.00 0.00 O ATOM 1219 CB ILE A 79 -0.236 0.481 3.981 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.220 -0.856 4.569 1.00 0.00 C ATOM 1221 CG2 ILE A 79 -0.139 1.591 5.014 1.00 0.00 C ATOM 1222 CD1 ILE A 79 1.384 -1.476 3.826 1.00 0.00 C ATOM 0 H ILE A 79 -1.297 -0.769 1.745 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.358 0.247 4.299 1.00 0.00 H new ATOM 0 HB ILE A 79 0.425 0.726 3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.502 -0.708 5.612 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.618 -1.552 4.561 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.886 1.660 5.379 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.426 2.539 4.558 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.807 1.372 5.847 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.654 -2.421 4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.100 -1.656 2.789 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.237 -0.798 3.856 1.00 0.00 H new ATOM 1234 N ILE A 80 -3.088 2.314 3.136 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.513 3.554 2.503 1.00 0.00 C ATOM 1236 C ILE A 80 -3.055 4.773 3.295 1.00 0.00 C ATOM 1237 O ILE A 80 -3.014 4.749 4.524 1.00 0.00 O ATOM 1238 CB ILE A 80 -5.037 3.602 2.330 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.540 2.282 1.751 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.430 4.767 1.433 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.972 1.967 0.383 1.00 0.00 C ATOM 0 H ILE A 80 -3.676 2.010 3.912 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.045 3.578 1.519 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.499 3.751 3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.286 1.473 2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.628 2.314 1.686 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.514 4.789 1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.093 5.701 1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.965 4.646 0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.372 1.015 0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.248 2.756 -0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.886 1.902 0.446 1.00 0.00 H new ATOM 1253 N MET A 81 -2.705 5.838 2.579 1.00 0.00 N ATOM 1254 CA MET A 81 -2.238 7.071 3.213 1.00 0.00 C ATOM 1255 C MET A 81 -3.360 7.759 3.994 1.00 0.00 C ATOM 1256 O MET A 81 -3.318 7.842 5.217 1.00 0.00 O ATOM 1257 CB MET A 81 -1.663 8.019 2.156 1.00 0.00 C ATOM 1258 CG MET A 81 -1.133 9.327 2.722 1.00 0.00 C ATOM 1259 SD MET A 81 -0.102 10.220 1.540 1.00 0.00 S ATOM 1260 CE MET A 81 -0.770 11.876 1.677 1.00 0.00 C ATOM 0 H MET A 81 -2.735 5.874 1.560 1.00 0.00 H new ATOM 0 HA MET A 81 -1.454 6.810 3.923 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.857 7.511 1.627 1.00 0.00 H new ATOM 0 HB3 MET A 81 -2.437 8.240 1.421 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.971 9.958 3.018 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.554 9.122 3.623 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.231 12.542 1.003 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.827 11.865 1.409 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.659 12.229 2.702 1.00 0.00 H new ATOM 1270 N THR A 82 -4.358 8.254 3.282 1.00 0.00 N ATOM 1271 CA THR A 82 -5.491 8.939 3.907 1.00 0.00 C ATOM 1272 C THR A 82 -6.739 8.053 3.873 1.00 0.00 C ATOM 1273 O THR A 82 -6.741 7.011 3.222 1.00 0.00 O ATOM 1274 CB THR A 82 -5.755 10.266 3.190 1.00 0.00 C ATOM 1275 OG1 THR A 82 -4.535 10.922 2.884 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.596 11.237 3.991 1.00 0.00 C ATOM 0 H THR A 82 -4.412 8.197 2.265 1.00 0.00 H new ATOM 0 HA THR A 82 -5.248 9.144 4.950 1.00 0.00 H new ATOM 0 HB THR A 82 -6.305 9.993 2.289 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.724 11.767 2.425 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.740 12.153 3.418 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.565 10.787 4.206 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.089 11.471 4.927 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.792 8.455 4.592 1.00 0.00 N ATOM 1285 CA ALA A 83 -9.027 7.670 4.642 1.00 0.00 C ATOM 1286 C ALA A 83 -10.256 8.482 4.220 1.00 0.00 C ATOM 1287 O ALA A 83 -11.358 7.938 4.141 1.00 0.00 O ATOM 1288 CB ALA A 83 -9.222 7.102 6.042 1.00 0.00 C ATOM 0 H ALA A 83 -7.813 9.313 5.143 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.925 6.855 3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.142 6.519 6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.378 6.461 6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.286 7.919 6.761 1.00 0.00 H new ATOM 1294 N HIS A 84 -10.057 9.771 3.930 1.00 0.00 N ATOM 1295 CA HIS A 84 -11.132 10.671 3.492 1.00 0.00 C ATOM 1296 C HIS A 84 -12.509 10.321 4.081 1.00 0.00 C ATOM 1297 O HIS A 84 -12.606 9.645 5.108 1.00 0.00 O ATOM 1298 CB HIS A 84 -11.171 10.682 1.971 1.00 0.00 C ATOM 1299 CG HIS A 84 -9.944 11.293 1.390 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -9.259 10.752 0.328 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -9.253 12.393 1.763 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -8.196 11.491 0.076 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -8.171 12.495 0.930 1.00 0.00 N ATOM 0 H HIS A 84 -9.144 10.222 3.992 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.906 11.667 3.873 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.278 9.662 1.603 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -12.047 11.236 1.634 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.507 13.066 2.568 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.468 11.305 -0.700 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.462 13.228 0.965 1.00 0.00 H new ATOM 1312 N SER A 85 -13.572 10.817 3.441 1.00 0.00 N ATOM 1313 CA SER A 85 -14.937 10.583 3.909 1.00 0.00 C ATOM 1314 C SER A 85 -15.465 9.216 3.479 1.00 0.00 C ATOM 1315 O SER A 85 -16.382 8.679 4.098 1.00 0.00 O ATOM 1316 CB SER A 85 -15.869 11.680 3.390 1.00 0.00 C ATOM 1317 OG SER A 85 -15.670 12.895 4.091 1.00 0.00 O ATOM 0 H SER A 85 -13.511 11.384 2.595 1.00 0.00 H new ATOM 0 HA SER A 85 -14.913 10.604 4.999 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.692 11.838 2.326 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.906 11.361 3.497 1.00 0.00 H new ATOM 0 HG SER A 85 -16.277 13.579 3.738 1.00 0.00 H new ATOM 1323 N ASP A 86 -14.886 8.652 2.422 1.00 0.00 N ATOM 1324 CA ASP A 86 -15.311 7.344 1.925 1.00 0.00 C ATOM 1325 C ASP A 86 -14.713 6.208 2.763 1.00 0.00 C ATOM 1326 O ASP A 86 -14.619 5.072 2.300 1.00 0.00 O ATOM 1327 CB ASP A 86 -14.909 7.174 0.457 1.00 0.00 C ATOM 1328 CG ASP A 86 -15.544 8.217 -0.444 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -16.782 8.370 -0.395 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -14.801 8.880 -1.200 1.00 0.00 O ATOM 0 H ASP A 86 -14.124 9.077 1.894 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.397 7.295 2.008 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.824 7.236 0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.199 6.180 0.117 1.00 0.00 H new ATOM 1335 N LEU A 87 -14.318 6.531 3.993 1.00 0.00 N ATOM 1336 CA LEU A 87 -13.722 5.567 4.922 1.00 0.00 C ATOM 1337 C LEU A 87 -14.459 4.225 4.935 1.00 0.00 C ATOM 1338 O LEU A 87 -13.881 3.196 5.285 1.00 0.00 O ATOM 1339 CB LEU A 87 -13.711 6.181 6.327 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.870 5.448 7.375 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -13.613 4.231 7.903 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.520 5.051 6.805 1.00 0.00 C ATOM 0 H LEU A 87 -14.402 7.472 4.377 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.706 5.357 4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.348 7.206 6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.739 6.233 6.687 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.696 6.129 8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.998 3.724 8.647 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.550 4.547 8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.824 3.548 7.080 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.941 4.532 7.569 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.666 4.392 5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.982 5.944 6.487 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.730 4.241 4.559 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.544 3.025 4.537 1.00 0.00 C ATOM 1356 C ASP A 88 -15.838 1.872 3.817 1.00 0.00 C ATOM 1357 O ASP A 88 -15.953 0.716 4.225 1.00 0.00 O ATOM 1358 CB ASP A 88 -17.890 3.302 3.864 1.00 0.00 C ATOM 1359 CG ASP A 88 -18.807 4.144 4.729 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -18.565 5.365 4.837 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -19.766 3.584 5.297 1.00 0.00 O ATOM 0 H ASP A 88 -16.224 5.083 4.264 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.703 2.725 5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.721 3.812 2.916 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -18.380 2.356 3.634 1.00 0.00 H new ATOM 1366 N ALA A 89 -15.126 2.185 2.735 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.428 1.163 1.958 1.00 0.00 C ATOM 1368 C ALA A 89 -13.215 0.605 2.696 1.00 0.00 C ATOM 1369 O ALA A 89 -12.770 -0.509 2.413 1.00 0.00 O ATOM 1370 CB ALA A 89 -14.013 1.712 0.601 1.00 0.00 C ATOM 0 H ALA A 89 -15.018 3.134 2.378 1.00 0.00 H new ATOM 0 HA ALA A 89 -15.127 0.340 1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.495 0.936 0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.899 2.030 0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.348 2.564 0.741 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.679 1.370 3.638 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.518 0.920 4.401 1.00 0.00 C ATOM 1378 C ALA A 90 -11.920 -0.152 5.396 1.00 0.00 C ATOM 1379 O ALA A 90 -11.126 -1.027 5.736 1.00 0.00 O ATOM 1380 CB ALA A 90 -10.855 2.075 5.130 1.00 0.00 C ATOM 0 H ALA A 90 -13.024 2.296 3.892 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.800 0.503 3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.994 1.707 5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.526 2.821 4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.568 2.528 5.819 1.00 0.00 H new ATOM 1386 N VAL A 91 -13.159 -0.086 5.867 1.00 0.00 N ATOM 1387 CA VAL A 91 -13.636 -1.070 6.820 1.00 0.00 C ATOM 1388 C VAL A 91 -13.606 -2.456 6.201 1.00 0.00 C ATOM 1389 O VAL A 91 -13.126 -3.409 6.812 1.00 0.00 O ATOM 1390 CB VAL A 91 -15.049 -0.770 7.342 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -15.289 -1.553 8.623 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -15.233 0.723 7.577 1.00 0.00 C ATOM 0 H VAL A 91 -13.840 0.628 5.608 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.962 -1.024 7.675 1.00 0.00 H new ATOM 0 HB VAL A 91 -15.779 -1.078 6.594 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -16.291 -1.342 8.996 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -15.194 -2.620 8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -14.554 -1.259 9.372 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -16.241 0.912 7.946 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.506 1.068 8.313 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -15.084 1.260 6.640 1.00 0.00 H new ATOM 1402 N SER A 92 -14.092 -2.559 4.967 1.00 0.00 N ATOM 1403 CA SER A 92 -14.079 -3.830 4.265 1.00 0.00 C ATOM 1404 C SER A 92 -12.642 -4.231 3.958 1.00 0.00 C ATOM 1405 O SER A 92 -12.341 -5.409 3.767 1.00 0.00 O ATOM 1406 CB SER A 92 -14.896 -3.753 2.973 1.00 0.00 C ATOM 1407 OG SER A 92 -14.270 -2.919 2.008 1.00 0.00 O ATOM 0 H SER A 92 -14.495 -1.784 4.441 1.00 0.00 H new ATOM 0 HA SER A 92 -14.536 -4.585 4.906 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.023 -4.754 2.562 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.892 -3.370 3.194 1.00 0.00 H new ATOM 0 HG SER A 92 -13.821 -2.175 2.461 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.748 -3.242 3.932 1.00 0.00 N ATOM 1414 CA ALA A 93 -10.344 -3.504 3.675 1.00 0.00 C ATOM 1415 C ALA A 93 -9.765 -4.348 4.796 1.00 0.00 C ATOM 1416 O ALA A 93 -8.985 -5.271 4.564 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.573 -2.205 3.522 1.00 0.00 C ATOM 0 H ALA A 93 -11.976 -2.260 4.086 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.254 -4.055 2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.523 -2.426 3.330 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.982 -1.635 2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.659 -1.621 4.438 1.00 0.00 H new ATOM 1423 N TYR A 94 -10.182 -4.033 6.014 1.00 0.00 N ATOM 1424 CA TYR A 94 -9.741 -4.771 7.190 1.00 0.00 C ATOM 1425 C TYR A 94 -10.338 -6.173 7.171 1.00 0.00 C ATOM 1426 O TYR A 94 -9.804 -7.099 7.779 1.00 0.00 O ATOM 1427 CB TYR A 94 -10.165 -4.056 8.477 1.00 0.00 C ATOM 1428 CG TYR A 94 -9.976 -2.557 8.447 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -8.737 -1.996 8.157 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -11.037 -1.700 8.715 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -8.563 -0.625 8.133 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -10.869 -0.328 8.692 1.00 0.00 C ATOM 1433 CZ TYR A 94 -9.632 0.205 8.401 1.00 0.00 C ATOM 1434 OH TYR A 94 -9.465 1.572 8.376 1.00 0.00 O ATOM 0 H TYR A 94 -10.827 -3.269 6.214 1.00 0.00 H new ATOM 0 HA TYR A 94 -8.653 -4.831 7.167 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -11.215 -4.274 8.671 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.595 -4.466 9.311 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.897 -2.642 7.947 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -12.008 -2.113 8.945 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.594 -0.205 7.905 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -11.704 0.324 8.901 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.861 1.814 7.643 1.00 0.00 H new ATOM 1444 N GLN A 95 -11.455 -6.310 6.466 1.00 0.00 N ATOM 1445 CA GLN A 95 -12.142 -7.591 6.356 1.00 0.00 C ATOM 1446 C GLN A 95 -11.299 -8.579 5.557 1.00 0.00 C ATOM 1447 O GLN A 95 -11.121 -9.728 5.964 1.00 0.00 O ATOM 1448 CB GLN A 95 -13.528 -7.400 5.719 1.00 0.00 C ATOM 1449 CG GLN A 95 -14.066 -8.627 4.995 1.00 0.00 C ATOM 1450 CD GLN A 95 -13.619 -8.690 3.548 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -13.084 -9.704 3.098 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -13.834 -7.607 2.808 1.00 0.00 N ATOM 0 H GLN A 95 -11.905 -5.547 5.961 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.284 -8.002 7.355 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.235 -7.114 6.498 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.478 -6.571 5.014 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.733 -9.526 5.514 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -15.155 -8.620 5.035 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -14.280 -6.788 3.220 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.553 -7.595 1.828 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.769 -8.126 4.424 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.938 -8.979 3.592 1.00 0.00 C ATOM 1463 C GLN A 96 -8.544 -9.134 4.198 1.00 0.00 C ATOM 1464 O GLN A 96 -7.816 -10.064 3.864 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.847 -8.430 2.164 1.00 0.00 C ATOM 1466 CG GLN A 96 -9.098 -7.113 2.052 1.00 0.00 C ATOM 1467 CD GLN A 96 -9.971 -5.996 1.516 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -11.184 -5.992 1.721 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -9.362 -5.044 0.821 1.00 0.00 N ATOM 0 H GLN A 96 -10.901 -7.180 4.066 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.404 -9.963 3.548 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.355 -9.170 1.532 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.856 -8.296 1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.714 -6.832 3.033 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.236 -7.243 1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.353 -5.086 0.674 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.902 -4.271 0.433 1.00 0.00 H new ATOM 1478 N GLY A 97 -8.180 -8.233 5.109 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.881 -8.322 5.752 1.00 0.00 C ATOM 1480 C GLY A 97 -5.984 -7.128 5.478 1.00 0.00 C ATOM 1481 O GLY A 97 -4.764 -7.273 5.394 1.00 0.00 O ATOM 0 H GLY A 97 -8.758 -7.449 5.411 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -7.024 -8.419 6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.379 -9.228 5.414 1.00 0.00 H new ATOM 1485 N ALA A 98 -6.577 -5.946 5.350 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.801 -4.737 5.100 1.00 0.00 C ATOM 1487 C ALA A 98 -4.855 -4.458 6.263 1.00 0.00 C ATOM 1488 O ALA A 98 -5.098 -4.898 7.385 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.720 -3.550 4.875 1.00 0.00 C ATOM 0 H ALA A 98 -7.584 -5.800 5.415 1.00 0.00 H new ATOM 0 HA ALA A 98 -5.208 -4.893 4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.123 -2.657 4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.360 -3.743 4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.338 -3.396 5.759 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.775 -3.728 5.998 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.815 -3.412 7.045 1.00 0.00 C ATOM 1497 C PHE A 99 -3.343 -2.312 7.957 1.00 0.00 C ATOM 1498 O PHE A 99 -3.391 -2.481 9.175 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.472 -2.991 6.452 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.338 -3.114 7.431 1.00 0.00 C ATOM 1501 CD1 PHE A 99 0.043 -4.357 7.911 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.338 -1.991 7.880 1.00 0.00 C ATOM 1503 CE1 PHE A 99 1.077 -4.478 8.819 1.00 0.00 C ATOM 1504 CE2 PHE A 99 1.373 -2.106 8.789 1.00 0.00 C ATOM 1505 CZ PHE A 99 1.743 -3.350 9.258 1.00 0.00 C ATOM 0 H PHE A 99 -3.546 -3.350 5.079 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.668 -4.317 7.635 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.258 -3.604 5.577 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.539 -1.959 6.109 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.475 -5.242 7.571 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.053 -1.015 7.516 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.364 -5.453 9.185 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.892 -1.223 9.132 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.552 -3.442 9.967 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.742 -1.186 7.365 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.271 -0.061 8.139 1.00 0.00 C ATOM 1517 C ASP A 100 -4.394 1.201 7.292 1.00 0.00 C ATOM 1518 O ASP A 100 -4.295 1.159 6.065 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.383 0.217 9.361 1.00 0.00 C ATOM 1520 CG ASP A 100 -4.112 -0.007 10.671 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -4.510 -1.161 10.941 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -4.288 0.971 11.427 1.00 0.00 O ATOM 0 H ASP A 100 -3.710 -1.028 6.358 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.270 -0.341 8.474 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.505 -0.428 9.322 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.025 1.246 9.319 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.606 2.326 7.968 1.00 0.00 N ATOM 1528 CA TYR A 101 -4.744 3.616 7.308 1.00 0.00 C ATOM 1529 C TYR A 101 -3.943 4.674 8.063 1.00 0.00 C ATOM 1530 O TYR A 101 -3.715 4.547 9.266 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.221 4.020 7.235 1.00 0.00 C ATOM 1532 CG TYR A 101 -6.879 3.714 5.905 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.245 2.414 5.569 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.133 4.725 4.986 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -7.845 2.134 4.354 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.735 4.451 3.770 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.088 3.156 3.460 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.686 2.882 2.251 1.00 0.00 O ATOM 0 H TYR A 101 -4.686 2.367 8.984 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.356 3.537 6.292 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.767 3.506 8.026 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.305 5.089 7.433 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.058 1.612 6.267 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.856 5.741 5.224 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.122 1.120 4.107 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.927 5.249 3.068 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.280 2.109 2.348 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.510 5.712 7.356 1.00 0.00 N ATOM 1549 CA LEU A 102 -2.728 6.779 7.973 1.00 0.00 C ATOM 1550 C LEU A 102 -3.604 8.009 8.229 1.00 0.00 C ATOM 1551 O LEU A 102 -4.175 8.576 7.298 1.00 0.00 O ATOM 1552 CB LEU A 102 -1.549 7.157 7.068 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.195 6.558 7.449 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.267 5.047 7.493 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.865 6.993 6.456 1.00 0.00 C ATOM 0 H LEU A 102 -3.686 5.838 6.359 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.345 6.419 8.928 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.786 6.851 6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.455 8.243 7.061 1.00 0.00 H new ATOM 0 HG LEU A 102 0.071 6.921 8.442 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.708 4.644 7.766 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.007 4.739 8.232 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.554 4.668 6.512 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.826 6.561 6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.591 6.651 5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.942 8.080 6.459 1.00 0.00 H new ATOM 1567 N PRO A 103 -3.730 8.437 9.498 1.00 0.00 N ATOM 1568 CA PRO A 103 -4.547 9.602 9.850 1.00 0.00 C ATOM 1569 C PRO A 103 -4.042 10.884 9.194 1.00 0.00 C ATOM 1570 O PRO A 103 -4.708 11.456 8.332 1.00 0.00 O ATOM 1571 CB PRO A 103 -4.425 9.692 11.378 1.00 0.00 C ATOM 1572 CG PRO A 103 -3.217 8.892 11.731 1.00 0.00 C ATOM 1573 CD PRO A 103 -3.095 7.827 10.678 1.00 0.00 C ATOM 0 HA PRO A 103 -5.575 9.492 9.505 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.318 10.727 11.703 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.315 9.295 11.866 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -2.327 9.521 11.753 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -3.319 8.449 12.722 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.053 7.570 10.486 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.600 6.908 10.976 1.00 0.00 H new ATOM 1581 N LYS A 104 -2.862 11.330 9.612 1.00 0.00 N ATOM 1582 CA LYS A 104 -2.268 12.547 9.065 1.00 0.00 C ATOM 1583 C LYS A 104 -0.843 12.311 8.548 1.00 0.00 C ATOM 1584 O LYS A 104 -0.542 12.637 7.401 1.00 0.00 O ATOM 1585 CB LYS A 104 -2.277 13.665 10.112 1.00 0.00 C ATOM 1586 CG LYS A 104 -1.710 14.980 9.603 1.00 0.00 C ATOM 1587 CD LYS A 104 -1.069 15.784 10.723 1.00 0.00 C ATOM 1588 CE LYS A 104 -1.644 17.189 10.803 1.00 0.00 C ATOM 1589 NZ LYS A 104 -0.794 18.179 10.086 1.00 0.00 N ATOM 0 H LYS A 104 -2.298 10.869 10.326 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.877 12.851 8.214 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.301 13.827 10.450 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.702 13.343 10.980 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.970 14.782 8.827 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.506 15.566 9.143 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.223 15.273 11.673 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.008 15.839 10.562 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.647 17.195 10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.740 17.483 11.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.221 19.124 10.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.156 18.192 10.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.723 17.913 9.083 1.00 0.00 H new ATOM 1603 N PRO A 105 0.058 11.742 9.376 1.00 0.00 N ATOM 1604 CA PRO A 105 1.443 11.478 8.966 1.00 0.00 C ATOM 1605 C PRO A 105 1.522 10.562 7.749 1.00 0.00 C ATOM 1606 O PRO A 105 0.546 9.903 7.390 1.00 0.00 O ATOM 1607 CB PRO A 105 2.070 10.798 10.189 1.00 0.00 C ATOM 1608 CG PRO A 105 1.199 11.188 11.332 1.00 0.00 C ATOM 1609 CD PRO A 105 -0.186 11.307 10.764 1.00 0.00 C ATOM 0 HA PRO A 105 1.954 12.394 8.670 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.100 9.715 10.067 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.097 11.130 10.343 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.234 10.440 12.124 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.526 12.132 11.769 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -0.720 10.357 10.801 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.786 12.032 11.314 1.00 0.00 H new ATOM 1617 N PHE A 106 2.689 10.535 7.117 1.00 0.00 N ATOM 1618 CA PHE A 106 2.913 9.708 5.938 1.00 0.00 C ATOM 1619 C PHE A 106 4.401 9.682 5.595 1.00 0.00 C ATOM 1620 O PHE A 106 5.157 8.924 6.196 1.00 0.00 O ATOM 1621 CB PHE A 106 2.079 10.219 4.752 1.00 0.00 C ATOM 1622 CG PHE A 106 2.310 9.460 3.474 1.00 0.00 C ATOM 1623 CD1 PHE A 106 1.887 8.148 3.348 1.00 0.00 C ATOM 1624 CD2 PHE A 106 2.952 10.059 2.400 1.00 0.00 C ATOM 1625 CE1 PHE A 106 2.099 7.445 2.177 1.00 0.00 C ATOM 1626 CE2 PHE A 106 3.167 9.360 1.227 1.00 0.00 C ATOM 1627 CZ PHE A 106 2.741 8.051 1.116 1.00 0.00 C ATOM 0 H PHE A 106 3.501 11.081 7.404 1.00 0.00 H new ATOM 0 HA PHE A 106 2.592 8.689 6.154 1.00 0.00 H new ATOM 0 HB2 PHE A 106 1.022 10.161 5.012 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.309 11.271 4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.385 7.668 4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 106 3.287 11.082 2.481 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.763 6.422 2.092 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.668 9.837 0.398 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.910 7.503 0.201 1.00 0.00 H new ATOM 1637 N ASP A 107 4.829 10.523 4.648 1.00 0.00 N ATOM 1638 CA ASP A 107 6.238 10.596 4.246 1.00 0.00 C ATOM 1639 C ASP A 107 6.912 9.221 4.233 1.00 0.00 C ATOM 1640 O ASP A 107 6.302 8.209 4.568 1.00 0.00 O ATOM 1641 CB ASP A 107 7.002 11.548 5.170 1.00 0.00 C ATOM 1642 CG ASP A 107 6.513 11.493 6.605 1.00 0.00 C ATOM 1643 OD1 ASP A 107 6.761 10.471 7.278 1.00 0.00 O ATOM 1644 OD2 ASP A 107 5.881 12.472 7.056 1.00 0.00 O ATOM 0 H ASP A 107 4.218 11.165 4.144 1.00 0.00 H new ATOM 0 HA ASP A 107 6.263 10.979 3.226 1.00 0.00 H new ATOM 0 HB2 ASP A 107 8.063 11.300 5.143 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.903 12.567 4.796 1.00 0.00 H new ATOM 1649 N ILE A 108 8.173 9.183 3.828 1.00 0.00 N ATOM 1650 CA ILE A 108 8.909 7.928 3.771 1.00 0.00 C ATOM 1651 C ILE A 108 9.176 7.360 5.158 1.00 0.00 C ATOM 1652 O ILE A 108 8.959 6.175 5.408 1.00 0.00 O ATOM 1653 CB ILE A 108 10.222 8.084 2.966 1.00 0.00 C ATOM 1654 CG1 ILE A 108 10.102 7.380 1.614 1.00 0.00 C ATOM 1655 CG2 ILE A 108 11.420 7.542 3.727 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.776 7.607 0.915 1.00 0.00 C ATOM 0 H ILE A 108 8.706 10.002 3.535 1.00 0.00 H new ATOM 0 HA ILE A 108 8.278 7.210 3.247 1.00 0.00 H new ATOM 0 HB ILE A 108 10.382 9.150 2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.907 7.724 0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.245 6.309 1.760 1.00 0.00 H new ATOM 0 HG21 ILE A 108 12.321 7.671 3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.529 8.083 4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.270 6.482 3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.770 7.075 -0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.966 7.237 1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.637 8.673 0.735 1.00 0.00 H new ATOM 1668 N ASP A 109 9.665 8.203 6.045 1.00 0.00 N ATOM 1669 CA ASP A 109 9.987 7.790 7.403 1.00 0.00 C ATOM 1670 C ASP A 109 8.836 7.022 8.054 1.00 0.00 C ATOM 1671 O ASP A 109 9.006 5.875 8.462 1.00 0.00 O ATOM 1672 CB ASP A 109 10.350 9.013 8.240 1.00 0.00 C ATOM 1673 CG ASP A 109 9.349 10.139 8.085 1.00 0.00 C ATOM 1674 OD1 ASP A 109 9.232 10.678 6.967 1.00 0.00 O ATOM 1675 OD2 ASP A 109 8.676 10.474 9.084 1.00 0.00 O ATOM 0 H ASP A 109 9.851 9.187 5.851 1.00 0.00 H new ATOM 0 HA ASP A 109 10.841 7.114 7.355 1.00 0.00 H new ATOM 0 HB2 ASP A 109 10.410 8.726 9.290 1.00 0.00 H new ATOM 0 HB3 ASP A 109 11.339 9.368 7.950 1.00 0.00 H new ATOM 1680 N GLU A 110 7.668 7.654 8.151 1.00 0.00 N ATOM 1681 CA GLU A 110 6.507 7.016 8.755 1.00 0.00 C ATOM 1682 C GLU A 110 5.973 5.900 7.869 1.00 0.00 C ATOM 1683 O GLU A 110 5.433 4.909 8.360 1.00 0.00 O ATOM 1684 CB GLU A 110 5.406 8.045 9.034 1.00 0.00 C ATOM 1685 CG GLU A 110 5.838 9.164 9.966 1.00 0.00 C ATOM 1686 CD GLU A 110 5.510 8.872 11.415 1.00 0.00 C ATOM 1687 OE1 GLU A 110 5.721 7.721 11.852 1.00 0.00 O ATOM 1688 OE2 GLU A 110 5.039 9.794 12.115 1.00 0.00 O ATOM 0 H GLU A 110 7.504 8.604 7.819 1.00 0.00 H new ATOM 0 HA GLU A 110 6.823 6.579 9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.077 8.478 8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 110 4.546 7.535 9.467 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.912 9.322 9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.349 10.091 9.666 1.00 0.00 H new ATOM 1695 N ALA A 111 6.137 6.057 6.564 1.00 0.00 N ATOM 1696 CA ALA A 111 5.678 5.051 5.620 1.00 0.00 C ATOM 1697 C ALA A 111 6.511 3.785 5.760 1.00 0.00 C ATOM 1698 O ALA A 111 5.993 2.726 6.117 1.00 0.00 O ATOM 1699 CB ALA A 111 5.733 5.588 4.199 1.00 0.00 C ATOM 0 H ALA A 111 6.583 6.869 6.136 1.00 0.00 H new ATOM 0 HA ALA A 111 4.640 4.805 5.843 1.00 0.00 H new ATOM 0 HB1 ALA A 111 5.386 4.821 3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.094 6.467 4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.759 5.861 3.953 1.00 0.00 H new ATOM 1705 N VAL A 112 7.810 3.905 5.497 1.00 0.00 N ATOM 1706 CA VAL A 112 8.719 2.771 5.618 1.00 0.00 C ATOM 1707 C VAL A 112 8.649 2.173 7.015 1.00 0.00 C ATOM 1708 O VAL A 112 8.777 0.963 7.201 1.00 0.00 O ATOM 1709 CB VAL A 112 10.174 3.173 5.325 1.00 0.00 C ATOM 1710 CG1 VAL A 112 11.076 1.949 5.330 1.00 0.00 C ATOM 1711 CG2 VAL A 112 10.258 3.903 3.998 1.00 0.00 C ATOM 0 H VAL A 112 8.255 4.774 5.200 1.00 0.00 H new ATOM 0 HA VAL A 112 8.403 2.033 4.881 1.00 0.00 H new ATOM 0 HB VAL A 112 10.517 3.847 6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 112 12.102 2.252 5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.032 1.468 6.307 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.742 1.248 4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.293 4.183 3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.901 3.251 3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.641 4.801 4.037 1.00 0.00 H new ATOM 1721 N ALA A 113 8.438 3.038 7.988 1.00 0.00 N ATOM 1722 CA ALA A 113 8.336 2.622 9.378 1.00 0.00 C ATOM 1723 C ALA A 113 7.183 1.649 9.556 1.00 0.00 C ATOM 1724 O ALA A 113 7.312 0.617 10.214 1.00 0.00 O ATOM 1725 CB ALA A 113 8.123 3.835 10.261 1.00 0.00 C ATOM 0 H ALA A 113 8.333 4.042 7.842 1.00 0.00 H new ATOM 0 HA ALA A 113 9.262 2.124 9.664 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.047 3.519 11.301 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.965 4.518 10.150 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.203 4.342 9.968 1.00 0.00 H new ATOM 1731 N LEU A 114 6.054 2.006 8.965 1.00 0.00 N ATOM 1732 CA LEU A 114 4.852 1.201 9.041 1.00 0.00 C ATOM 1733 C LEU A 114 4.909 0.015 8.080 1.00 0.00 C ATOM 1734 O LEU A 114 4.198 -0.974 8.259 1.00 0.00 O ATOM 1735 CB LEU A 114 3.633 2.077 8.737 1.00 0.00 C ATOM 1736 CG LEU A 114 2.298 1.340 8.611 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.595 1.259 9.957 1.00 0.00 C ATOM 1738 CD2 LEU A 114 1.418 2.030 7.587 1.00 0.00 C ATOM 0 H LEU A 114 5.948 2.862 8.420 1.00 0.00 H new ATOM 0 HA LEU A 114 4.770 0.798 10.051 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.541 2.824 9.525 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.819 2.615 7.807 1.00 0.00 H new ATOM 0 HG LEU A 114 2.494 0.322 8.274 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.648 0.731 9.842 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.226 0.722 10.665 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.406 2.266 10.330 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.470 1.498 7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.232 3.057 7.901 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.919 2.031 6.619 1.00 0.00 H new ATOM 1750 N VAL A 115 5.750 0.114 7.055 1.00 0.00 N ATOM 1751 CA VAL A 115 5.864 -0.964 6.077 1.00 0.00 C ATOM 1752 C VAL A 115 6.705 -2.123 6.612 1.00 0.00 C ATOM 1753 O VAL A 115 6.421 -3.288 6.333 1.00 0.00 O ATOM 1754 CB VAL A 115 6.432 -0.476 4.721 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.956 -0.461 4.705 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.901 -1.349 3.596 1.00 0.00 C ATOM 0 H VAL A 115 6.355 0.917 6.881 1.00 0.00 H new ATOM 0 HA VAL A 115 4.849 -1.321 5.902 1.00 0.00 H new ATOM 0 HB VAL A 115 6.100 0.552 4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 115 8.306 -0.112 3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 115 8.321 0.208 5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 115 8.332 -1.468 4.886 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.304 -1.001 2.645 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.205 -2.382 3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.813 -1.290 3.573 1.00 0.00 H new ATOM 1766 N GLU A 116 7.738 -1.795 7.378 1.00 0.00 N ATOM 1767 CA GLU A 116 8.616 -2.807 7.949 1.00 0.00 C ATOM 1768 C GLU A 116 7.889 -3.631 9.007 1.00 0.00 C ATOM 1769 O GLU A 116 8.050 -4.848 9.080 1.00 0.00 O ATOM 1770 CB GLU A 116 9.855 -2.148 8.553 1.00 0.00 C ATOM 1771 CG GLU A 116 10.708 -1.420 7.528 1.00 0.00 C ATOM 1772 CD GLU A 116 11.971 -2.180 7.175 1.00 0.00 C ATOM 1773 OE1 GLU A 116 11.867 -3.216 6.486 1.00 0.00 O ATOM 1774 OE2 GLU A 116 13.065 -1.736 7.587 1.00 0.00 O ATOM 0 H GLU A 116 7.988 -0.836 7.618 1.00 0.00 H new ATOM 0 HA GLU A 116 8.924 -3.480 7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 116 9.544 -1.443 9.323 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.460 -2.910 9.044 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.122 -1.256 6.624 1.00 0.00 H new ATOM 0 HG3 GLU A 116 10.976 -0.437 7.916 1.00 0.00 H new ATOM 1781 N ARG A 117 7.090 -2.955 9.828 1.00 0.00 N ATOM 1782 CA ARG A 117 6.339 -3.625 10.885 1.00 0.00 C ATOM 1783 C ARG A 117 5.383 -4.663 10.311 1.00 0.00 C ATOM 1784 O ARG A 117 5.012 -5.619 10.990 1.00 0.00 O ATOM 1785 CB ARG A 117 5.561 -2.604 11.716 1.00 0.00 C ATOM 1786 CG ARG A 117 6.450 -1.645 12.487 1.00 0.00 C ATOM 1787 CD ARG A 117 7.213 -2.360 13.591 1.00 0.00 C ATOM 1788 NE ARG A 117 8.659 -2.197 13.454 1.00 0.00 N ATOM 1789 CZ ARG A 117 9.360 -1.232 14.048 1.00 0.00 C ATOM 1790 NH1 ARG A 117 8.751 -0.322 14.802 1.00 0.00 N ATOM 1791 NH2 ARG A 117 10.673 -1.170 13.882 1.00 0.00 N ATOM 0 H ARG A 117 6.946 -1.946 9.782 1.00 0.00 H new ATOM 0 HA ARG A 117 7.055 -4.138 11.527 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.909 -2.031 11.056 1.00 0.00 H new ATOM 0 HB3 ARG A 117 4.917 -3.134 12.418 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.155 -1.171 11.804 1.00 0.00 H new ATOM 0 HG3 ARG A 117 5.842 -0.850 12.919 1.00 0.00 H new ATOM 0 HD2 ARG A 117 6.895 -1.974 14.560 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.965 -3.421 13.574 1.00 0.00 H new ATOM 0 HE ARG A 117 9.162 -2.863 12.868 1.00 0.00 H new ATOM 0 HH11 ARG A 117 7.740 -0.359 14.929 1.00 0.00 H new ATOM 0 HH12 ARG A 117 9.295 0.413 15.253 1.00 0.00 H new ATOM 0 HH21 ARG A 117 11.147 -1.861 13.300 1.00 0.00 H new ATOM 0 HH22 ARG A 117 11.210 -0.432 14.336 1.00 0.00 H new ATOM 1805 N ALA A 118 4.990 -4.469 9.059 1.00 0.00 N ATOM 1806 CA ALA A 118 4.079 -5.391 8.399 1.00 0.00 C ATOM 1807 C ALA A 118 4.771 -6.711 8.089 1.00 0.00 C ATOM 1808 O ALA A 118 4.205 -7.785 8.290 1.00 0.00 O ATOM 1809 CB ALA A 118 3.527 -4.771 7.125 1.00 0.00 C ATOM 0 H ALA A 118 5.288 -3.682 8.482 1.00 0.00 H new ATOM 0 HA ALA A 118 3.250 -5.592 9.078 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.847 -5.474 6.643 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.989 -3.855 7.370 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.349 -4.539 6.448 1.00 0.00 H new ATOM 1815 N ILE A 119 6.000 -6.619 7.596 1.00 0.00 N ATOM 1816 CA ILE A 119 6.780 -7.794 7.253 1.00 0.00 C ATOM 1817 C ILE A 119 7.281 -8.506 8.503 1.00 0.00 C ATOM 1818 O ILE A 119 7.428 -9.729 8.521 1.00 0.00 O ATOM 1819 CB ILE A 119 7.980 -7.411 6.369 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.525 -6.534 5.206 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.692 -8.647 5.853 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.510 -5.443 4.874 1.00 0.00 C ATOM 0 H ILE A 119 6.478 -5.734 7.425 1.00 0.00 H new ATOM 0 HA ILE A 119 6.127 -8.470 6.701 1.00 0.00 H new ATOM 0 HB ILE A 119 8.684 -6.845 6.980 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.371 -7.158 4.326 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.562 -6.085 5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.536 -8.348 5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.053 -9.237 6.695 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.999 -9.245 5.261 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.132 -4.853 4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.645 -4.798 5.742 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.467 -5.888 4.600 1.00 0.00 H new ATOM 1834 N SER A 120 7.541 -7.729 9.543 1.00 0.00 N ATOM 1835 CA SER A 120 8.028 -8.271 10.806 1.00 0.00 C ATOM 1836 C SER A 120 6.984 -9.177 11.449 1.00 0.00 C ATOM 1837 O SER A 120 7.308 -10.245 11.968 1.00 0.00 O ATOM 1838 CB SER A 120 8.392 -7.135 11.763 1.00 0.00 C ATOM 1839 OG SER A 120 8.767 -7.638 13.034 1.00 0.00 O ATOM 0 H SER A 120 7.423 -6.716 9.539 1.00 0.00 H new ATOM 0 HA SER A 120 8.919 -8.864 10.599 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.211 -6.551 11.344 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.542 -6.461 11.872 1.00 0.00 H new ATOM 0 HG SER A 120 8.996 -6.892 13.626 1.00 0.00 H new ATOM 1845 N HIS A 121 5.730 -8.740 11.408 1.00 0.00 N ATOM 1846 CA HIS A 121 4.633 -9.508 11.987 1.00 0.00 C ATOM 1847 C HIS A 121 4.463 -10.841 11.268 1.00 0.00 C ATOM 1848 O HIS A 121 3.986 -11.816 11.849 1.00 0.00 O ATOM 1849 CB HIS A 121 3.332 -8.707 11.919 1.00 0.00 C ATOM 1850 CG HIS A 121 3.123 -7.805 13.095 1.00 0.00 C ATOM 1851 ND1 HIS A 121 3.434 -6.462 13.078 1.00 0.00 N ATOM 1852 CD2 HIS A 121 2.625 -8.060 14.328 1.00 0.00 C ATOM 1853 CE1 HIS A 121 3.138 -5.930 14.251 1.00 0.00 C ATOM 1854 NE2 HIS A 121 2.646 -6.878 15.026 1.00 0.00 N ATOM 0 H HIS A 121 5.448 -7.858 10.980 1.00 0.00 H new ATOM 0 HA HIS A 121 4.873 -9.709 13.031 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.330 -8.109 11.008 1.00 0.00 H new ATOM 0 HB3 HIS A 121 2.492 -9.398 11.848 1.00 0.00 H new ATOM 0 HD1 HIS A 121 3.830 -5.958 12.285 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.277 -9.015 14.694 1.00 0.00 H new ATOM 0 HE1 HIS A 121 3.275 -4.895 14.528 1.00 0.00 H new ATOM 1863 N TYR A 122 4.852 -10.871 10.002 1.00 0.00 N ATOM 1864 CA TYR A 122 4.745 -12.076 9.195 1.00 0.00 C ATOM 1865 C TYR A 122 5.920 -13.013 9.454 1.00 0.00 C ATOM 1866 O TYR A 122 5.733 -14.183 9.786 1.00 0.00 O ATOM 1867 CB TYR A 122 4.675 -11.714 7.711 1.00 0.00 C ATOM 1868 CG TYR A 122 3.265 -11.530 7.199 1.00 0.00 C ATOM 1869 CD1 TYR A 122 2.304 -12.514 7.390 1.00 0.00 C ATOM 1870 CD2 TYR A 122 2.894 -10.372 6.526 1.00 0.00 C ATOM 1871 CE1 TYR A 122 1.013 -12.351 6.925 1.00 0.00 C ATOM 1872 CE2 TYR A 122 1.606 -10.201 6.057 1.00 0.00 C ATOM 1873 CZ TYR A 122 0.669 -11.192 6.260 1.00 0.00 C ATOM 1874 OH TYR A 122 -0.615 -11.027 5.796 1.00 0.00 O ATOM 0 H TYR A 122 5.247 -10.070 9.510 1.00 0.00 H new ATOM 0 HA TYR A 122 3.828 -12.594 9.477 1.00 0.00 H new ATOM 0 HB2 TYR A 122 5.236 -10.795 7.543 1.00 0.00 H new ATOM 0 HB3 TYR A 122 5.164 -12.497 7.131 1.00 0.00 H new ATOM 0 HD1 TYR A 122 2.570 -13.422 7.911 1.00 0.00 H new ATOM 0 HD2 TYR A 122 3.625 -9.593 6.367 1.00 0.00 H new ATOM 0 HE1 TYR A 122 0.278 -13.126 7.081 1.00 0.00 H new ATOM 0 HE2 TYR A 122 1.334 -9.296 5.534 1.00 0.00 H new ATOM 0 HH TYR A 122 -1.237 -11.513 6.376 1.00 0.00 H new ATOM 1884 N GLN A 123 7.132 -12.493 9.297 1.00 0.00 N ATOM 1885 CA GLN A 123 8.338 -13.283 9.515 1.00 0.00 C ATOM 1886 C GLN A 123 8.376 -14.489 8.580 1.00 0.00 C ATOM 1887 O GLN A 123 7.485 -14.675 7.751 1.00 0.00 O ATOM 1888 CB GLN A 123 8.414 -13.749 10.970 1.00 0.00 C ATOM 1889 CG GLN A 123 9.829 -13.787 11.524 1.00 0.00 C ATOM 1890 CD GLN A 123 10.283 -15.191 11.872 1.00 0.00 C ATOM 1891 OE1 GLN A 123 9.723 -16.175 11.387 1.00 0.00 O ATOM 1892 NE2 GLN A 123 11.300 -15.293 12.719 1.00 0.00 N ATOM 0 H GLN A 123 7.306 -11.527 9.019 1.00 0.00 H new ATOM 0 HA GLN A 123 9.199 -12.650 9.299 1.00 0.00 H new ATOM 0 HB2 GLN A 123 7.809 -13.085 11.587 1.00 0.00 H new ATOM 0 HB3 GLN A 123 7.976 -14.744 11.047 1.00 0.00 H new ATOM 0 HG2 GLN A 123 10.513 -13.359 10.791 1.00 0.00 H new ATOM 0 HG3 GLN A 123 9.883 -13.161 12.414 1.00 0.00 H new ATOM 0 HE21 GLN A 123 11.735 -14.452 13.097 1.00 0.00 H new ATOM 0 HE22 GLN A 123 11.646 -16.213 12.992 1.00 0.00 H new ATOM 1901 N GLU A 124 9.413 -15.310 8.722 1.00 0.00 N ATOM 1902 CA GLU A 124 9.565 -16.498 7.892 1.00 0.00 C ATOM 1903 C GLU A 124 8.729 -17.653 8.435 1.00 0.00 C ATOM 1904 O GLU A 124 7.652 -17.442 8.992 1.00 0.00 O ATOM 1905 CB GLU A 124 11.039 -16.906 7.818 1.00 0.00 C ATOM 1906 CG GLU A 124 11.507 -17.241 6.411 1.00 0.00 C ATOM 1907 CD GLU A 124 12.900 -16.719 6.122 1.00 0.00 C ATOM 1908 OE1 GLU A 124 13.018 -15.566 5.653 1.00 0.00 O ATOM 1909 OE2 GLU A 124 13.875 -17.461 6.364 1.00 0.00 O ATOM 0 H GLU A 124 10.159 -15.173 9.404 1.00 0.00 H new ATOM 0 HA GLU A 124 9.210 -16.260 6.889 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.652 -16.096 8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.201 -17.771 8.461 1.00 0.00 H new ATOM 0 HG2 GLU A 124 11.492 -18.322 6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 124 10.808 -16.819 5.689 1.00 0.00 H new TER 1916 GLU A 124