USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 699 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 16 THR OG1 : rot -35:sc= 0.186! USER MOD Set 1.2: A 31 MET CE :methyl 148:sc= -3.02 (180deg=-6.92!) USER MOD Set 2.1: A 11 LYS NZ :NH3+ -153:sc= -0.184 (180deg=-0.963) USER MOD Set 2.2: A 15 GLN : amide:sc= -0.115 K(o=-0.3,f=-1.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00514) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 161:sc= -0.0285 (180deg=-0.275) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= -0.1 (180deg=-0.151) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.191 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.237 K(o=-0.24,f=-1.1!) USER MOD Single : A 55 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.52) USER MOD Single : A 62 ASN : amide:sc= 0.195 X(o=0.19,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.435 X(o=-0.44,f=-0.22) USER MOD Single : A 65 SER OG : rot -156:sc= 0.84 USER MOD Single : A 67 THR OG1 : rot -109:sc= -1.11 USER MOD Single : A 69 LYS NZ :NH3+ -165:sc=-0.00308 (180deg=-0.104) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 75 MET CE :methyl -114:sc= -2.7 (180deg=-7.29!) USER MOD Single : A 78 LYS NZ :NH3+ -170:sc=-0.00397 (180deg=-0.125) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.226 -19.691 0.949 1.00 0.00 N ATOM 2 CA MET A 1 -10.663 -19.485 2.320 1.00 0.00 C ATOM 3 C MET A 1 -10.050 -18.210 2.904 1.00 0.00 C ATOM 4 O MET A 1 -10.762 -17.372 3.456 1.00 0.00 O ATOM 5 CB MET A 1 -10.251 -20.686 3.173 1.00 0.00 C ATOM 6 CG MET A 1 -11.356 -21.745 3.197 1.00 0.00 C ATOM 7 SD MET A 1 -11.412 -22.532 4.798 1.00 0.00 S ATOM 8 CE MET A 1 -13.050 -23.239 4.739 1.00 0.00 C ATOM 0 H1 MET A 1 -10.681 -20.543 0.564 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.490 -18.866 0.373 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.193 -19.811 0.928 1.00 0.00 H new ATOM 0 HA MET A 1 -11.748 -19.380 2.324 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.334 -21.121 2.776 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.034 -20.358 4.190 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.318 -21.283 2.976 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.174 -22.490 2.422 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.250 -23.771 5.669 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.785 -22.444 4.610 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.117 -23.934 3.902 1.00 0.00 H new ATOM 18 N MET A 2 -8.737 -18.104 2.763 1.00 0.00 N ATOM 19 CA MET A 2 -8.021 -16.946 3.269 1.00 0.00 C ATOM 20 C MET A 2 -6.515 -17.090 3.043 1.00 0.00 C ATOM 21 O MET A 2 -5.746 -17.180 3.999 1.00 0.00 O ATOM 22 CB MET A 2 -8.300 -16.787 4.766 1.00 0.00 C ATOM 23 CG MET A 2 -7.973 -18.075 5.524 1.00 0.00 C ATOM 24 SD MET A 2 -8.866 -18.118 7.068 1.00 0.00 S ATOM 25 CE MET A 2 -7.659 -18.932 8.102 1.00 0.00 C ATOM 0 H MET A 2 -8.150 -18.802 2.305 1.00 0.00 H new ATOM 0 HA MET A 2 -8.367 -16.064 2.730 1.00 0.00 H new ATOM 0 HB2 MET A 2 -7.706 -15.965 5.165 1.00 0.00 H new ATOM 0 HB3 MET A 2 -9.347 -16.527 4.919 1.00 0.00 H new ATOM 0 HG2 MET A 2 -8.238 -18.941 4.917 1.00 0.00 H new ATOM 0 HG3 MET A 2 -6.901 -18.134 5.713 1.00 0.00 H new ATOM 0 HE1 MET A 2 -8.058 -19.040 9.111 1.00 0.00 H new ATOM 0 HE2 MET A 2 -7.434 -19.917 7.693 1.00 0.00 H new ATOM 0 HE3 MET A 2 -6.747 -18.336 8.135 1.00 0.00 H new ATOM 35 N VAL A 3 -6.139 -17.107 1.773 1.00 0.00 N ATOM 36 CA VAL A 3 -4.738 -17.238 1.409 1.00 0.00 C ATOM 37 C VAL A 3 -4.417 -16.264 0.274 1.00 0.00 C ATOM 38 O VAL A 3 -5.321 -15.765 -0.395 1.00 0.00 O ATOM 39 CB VAL A 3 -4.424 -18.693 1.055 1.00 0.00 C ATOM 40 CG1 VAL A 3 -2.926 -18.887 0.810 1.00 0.00 C ATOM 41 CG2 VAL A 3 -4.929 -19.644 2.143 1.00 0.00 C ATOM 0 H VAL A 3 -6.780 -17.032 0.983 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.098 -16.977 2.252 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.949 -18.933 0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.730 -19.930 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.607 -18.250 -0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.372 -18.619 1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.693 -20.672 1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.446 -19.403 3.090 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.008 -19.536 2.249 1.00 0.00 H new ATOM 51 N PHE A 4 -3.127 -16.022 0.092 1.00 0.00 N ATOM 52 CA PHE A 4 -2.675 -15.116 -0.950 1.00 0.00 C ATOM 53 C PHE A 4 -2.662 -15.812 -2.313 1.00 0.00 C ATOM 54 O PHE A 4 -1.984 -16.822 -2.491 1.00 0.00 O ATOM 55 CB PHE A 4 -1.249 -14.696 -0.591 1.00 0.00 C ATOM 56 CG PHE A 4 -0.424 -14.209 -1.784 1.00 0.00 C ATOM 57 CD1 PHE A 4 -0.963 -13.326 -2.667 1.00 0.00 C ATOM 58 CD2 PHE A 4 0.847 -14.658 -1.961 1.00 0.00 C ATOM 59 CE1 PHE A 4 -0.198 -12.874 -3.775 1.00 0.00 C ATOM 60 CE2 PHE A 4 1.612 -14.205 -3.068 1.00 0.00 C ATOM 61 CZ PHE A 4 1.074 -13.323 -3.952 1.00 0.00 C ATOM 0 H PHE A 4 -2.380 -16.438 0.649 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.346 -14.260 -1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.292 -13.903 0.156 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.738 -15.541 -0.130 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.972 -12.969 -2.526 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.275 -15.359 -1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.626 -12.174 -4.477 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.622 -14.561 -3.208 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.656 -12.979 -4.794 1.00 0.00 H new ATOM 71 N ASP A 5 -3.419 -15.242 -3.240 1.00 0.00 N ATOM 72 CA ASP A 5 -3.502 -15.795 -4.581 1.00 0.00 C ATOM 73 C ASP A 5 -4.040 -14.727 -5.535 1.00 0.00 C ATOM 74 O ASP A 5 -4.239 -13.580 -5.140 1.00 0.00 O ATOM 75 CB ASP A 5 -4.455 -16.992 -4.625 1.00 0.00 C ATOM 76 CG ASP A 5 -4.119 -18.122 -3.650 1.00 0.00 C ATOM 77 OD1 ASP A 5 -3.434 -19.091 -4.007 1.00 0.00 O ATOM 78 OD2 ASP A 5 -4.600 -17.977 -2.461 1.00 0.00 O ATOM 0 H ASP A 5 -3.980 -14.404 -3.089 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.504 -16.118 -4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.465 -16.641 -4.416 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.461 -17.396 -5.637 1.00 0.00 H new ATOM 84 N ASP A 6 -4.260 -15.143 -6.774 1.00 0.00 N ATOM 85 CA ASP A 6 -4.771 -14.236 -7.788 1.00 0.00 C ATOM 86 C ASP A 6 -5.845 -13.339 -7.169 1.00 0.00 C ATOM 87 O ASP A 6 -5.839 -12.126 -7.373 1.00 0.00 O ATOM 88 CB ASP A 6 -5.408 -15.007 -8.946 1.00 0.00 C ATOM 89 CG ASP A 6 -4.428 -15.493 -10.016 1.00 0.00 C ATOM 90 OD1 ASP A 6 -3.213 -15.263 -9.921 1.00 0.00 O ATOM 91 OD2 ASP A 6 -4.966 -16.141 -10.993 1.00 0.00 O ATOM 0 H ASP A 6 -4.094 -16.096 -7.098 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.936 -13.646 -8.164 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.937 -15.869 -8.541 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.154 -14.369 -9.421 1.00 0.00 H new ATOM 97 N ILE A 7 -6.742 -13.971 -6.426 1.00 0.00 N ATOM 98 CA ILE A 7 -7.820 -13.245 -5.776 1.00 0.00 C ATOM 99 C ILE A 7 -7.239 -12.052 -5.015 1.00 0.00 C ATOM 100 O ILE A 7 -7.670 -10.916 -5.212 1.00 0.00 O ATOM 101 CB ILE A 7 -8.650 -14.187 -4.902 1.00 0.00 C ATOM 102 CG1 ILE A 7 -9.318 -15.274 -5.748 1.00 0.00 C ATOM 103 CG2 ILE A 7 -9.665 -13.407 -4.065 1.00 0.00 C ATOM 104 CD1 ILE A 7 -9.008 -16.666 -5.195 1.00 0.00 C ATOM 0 H ILE A 7 -6.744 -14.977 -6.260 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.511 -12.845 -6.518 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.977 -14.689 -4.206 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.396 -15.117 -5.763 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.971 -15.203 -6.779 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.242 -14.101 -3.453 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.140 -12.703 -3.419 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.338 -12.860 -4.726 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.494 -17.420 -5.814 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.930 -16.829 -5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -9.378 -16.742 -4.173 1.00 0.00 H new ATOM 116 N ALA A 8 -6.271 -12.349 -4.161 1.00 0.00 N ATOM 117 CA ALA A 8 -5.627 -11.315 -3.369 1.00 0.00 C ATOM 118 C ALA A 8 -5.185 -10.176 -4.290 1.00 0.00 C ATOM 119 O ALA A 8 -5.293 -9.005 -3.929 1.00 0.00 O ATOM 120 CB ALA A 8 -4.459 -11.922 -2.590 1.00 0.00 C ATOM 0 H ALA A 8 -5.917 -13.292 -4.000 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.323 -10.899 -2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.976 -11.146 -1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.830 -12.706 -1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.738 -12.347 -3.288 1.00 0.00 H new ATOM 126 N LYS A 9 -4.695 -10.559 -5.460 1.00 0.00 N ATOM 127 CA LYS A 9 -4.236 -9.583 -6.434 1.00 0.00 C ATOM 128 C LYS A 9 -5.359 -8.582 -6.715 1.00 0.00 C ATOM 129 O LYS A 9 -5.170 -7.376 -6.568 1.00 0.00 O ATOM 130 CB LYS A 9 -3.710 -10.285 -7.688 1.00 0.00 C ATOM 131 CG LYS A 9 -2.352 -9.717 -8.105 1.00 0.00 C ATOM 132 CD LYS A 9 -1.252 -10.161 -7.138 1.00 0.00 C ATOM 133 CE LYS A 9 -0.844 -11.612 -7.400 1.00 0.00 C ATOM 134 NZ LYS A 9 -0.100 -11.718 -8.675 1.00 0.00 N ATOM 0 H LYS A 9 -4.606 -11.531 -5.755 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.394 -9.015 -6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.618 -11.355 -7.499 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.424 -10.165 -8.503 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.109 -10.049 -9.115 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.401 -8.628 -8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.384 -9.510 -7.246 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.602 -10.058 -6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.225 -11.976 -6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.731 -12.245 -7.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.439 -12.607 -8.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.770 -11.706 -9.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.555 -10.915 -8.762 1.00 0.00 H new ATOM 147 N ARG A 10 -6.502 -9.120 -7.115 1.00 0.00 N ATOM 148 CA ARG A 10 -7.654 -8.289 -7.418 1.00 0.00 C ATOM 149 C ARG A 10 -8.060 -7.475 -6.188 1.00 0.00 C ATOM 150 O ARG A 10 -8.216 -6.257 -6.269 1.00 0.00 O ATOM 151 CB ARG A 10 -8.842 -9.139 -7.873 1.00 0.00 C ATOM 152 CG ARG A 10 -9.398 -8.636 -9.206 1.00 0.00 C ATOM 153 CD ARG A 10 -10.705 -9.349 -9.559 1.00 0.00 C ATOM 154 NE ARG A 10 -10.844 -9.453 -11.029 1.00 0.00 N ATOM 155 CZ ARG A 10 -11.931 -9.954 -11.653 1.00 0.00 C ATOM 156 NH1 ARG A 10 -12.985 -10.403 -10.939 1.00 0.00 N ATOM 157 NH2 ARG A 10 -11.948 -10.000 -12.972 1.00 0.00 N ATOM 0 H ARG A 10 -6.655 -10.121 -7.236 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.373 -7.615 -8.227 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.532 -10.179 -7.974 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.625 -9.112 -7.115 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.570 -7.561 -9.150 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.665 -8.801 -9.995 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.718 -10.343 -9.113 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.551 -8.802 -9.143 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.070 -9.126 -11.607 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.964 -10.365 -9.920 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.802 -10.780 -11.419 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.147 -9.660 -13.505 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.762 -10.376 -13.459 1.00 0.00 H new ATOM 170 N LYS A 11 -8.218 -8.180 -5.077 1.00 0.00 N ATOM 171 CA LYS A 11 -8.602 -7.538 -3.832 1.00 0.00 C ATOM 172 C LYS A 11 -7.684 -6.341 -3.576 1.00 0.00 C ATOM 173 O LYS A 11 -8.124 -5.317 -3.053 1.00 0.00 O ATOM 174 CB LYS A 11 -8.621 -8.554 -2.688 1.00 0.00 C ATOM 175 CG LYS A 11 -9.135 -7.916 -1.396 1.00 0.00 C ATOM 176 CD LYS A 11 -8.141 -8.120 -0.251 1.00 0.00 C ATOM 177 CE LYS A 11 -8.870 -8.334 1.077 1.00 0.00 C ATOM 178 NZ LYS A 11 -8.724 -7.146 1.946 1.00 0.00 N ATOM 0 H LYS A 11 -8.087 -9.190 -5.014 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.619 -7.152 -3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.255 -9.399 -2.958 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.617 -8.947 -2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.300 -6.850 -1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.098 -8.352 -1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.507 -8.980 -0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.486 -7.252 -0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.926 -8.528 0.891 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.468 -9.213 1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.796 -7.434 2.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.797 -6.706 1.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.476 -6.462 1.728 1.00 0.00 H new ATOM 191 N ILE A 12 -6.426 -6.508 -3.956 1.00 0.00 N ATOM 192 CA ILE A 12 -5.443 -5.454 -3.774 1.00 0.00 C ATOM 193 C ILE A 12 -5.991 -4.147 -4.348 1.00 0.00 C ATOM 194 O ILE A 12 -5.953 -3.110 -3.687 1.00 0.00 O ATOM 195 CB ILE A 12 -4.096 -5.870 -4.369 1.00 0.00 C ATOM 196 CG1 ILE A 12 -2.975 -5.736 -3.335 1.00 0.00 C ATOM 197 CG2 ILE A 12 -3.794 -5.084 -5.646 1.00 0.00 C ATOM 198 CD1 ILE A 12 -2.875 -4.300 -2.818 1.00 0.00 C ATOM 0 H ILE A 12 -6.065 -7.358 -4.389 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.258 -5.284 -2.713 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.156 -6.923 -4.646 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.161 -6.414 -2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.026 -6.032 -3.782 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.831 -5.399 -6.048 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.575 -5.273 -6.383 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.761 -4.019 -5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.071 -4.232 -2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.665 -3.628 -3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.817 -4.015 -2.350 1.00 0.00 H new ATOM 210 N ARG A 13 -6.488 -4.237 -5.573 1.00 0.00 N ATOM 211 CA ARG A 13 -7.043 -3.074 -6.243 1.00 0.00 C ATOM 212 C ARG A 13 -8.416 -2.731 -5.661 1.00 0.00 C ATOM 213 O ARG A 13 -8.734 -1.560 -5.461 1.00 0.00 O ATOM 214 CB ARG A 13 -7.181 -3.319 -7.747 1.00 0.00 C ATOM 215 CG ARG A 13 -6.222 -2.427 -8.538 1.00 0.00 C ATOM 216 CD ARG A 13 -6.512 -2.506 -10.039 1.00 0.00 C ATOM 217 NE ARG A 13 -7.654 -1.629 -10.380 1.00 0.00 N ATOM 218 CZ ARG A 13 -8.274 -1.626 -11.580 1.00 0.00 C ATOM 219 NH1 ARG A 13 -7.866 -2.456 -12.564 1.00 0.00 N ATOM 220 NH2 ARG A 13 -9.285 -0.800 -11.776 1.00 0.00 N ATOM 0 H ARG A 13 -6.518 -5.098 -6.119 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.358 -2.241 -6.083 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.976 -4.366 -7.969 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.207 -3.122 -8.059 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.316 -1.395 -8.199 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.193 -2.733 -8.346 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.630 -2.205 -10.605 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.736 -3.535 -10.321 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.994 -0.987 -9.664 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.084 -3.091 -12.404 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.340 -2.448 -13.467 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.587 -0.177 -11.027 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.764 -0.785 -12.676 1.00 0.00 H new ATOM 233 N PHE A 14 -9.192 -3.774 -5.405 1.00 0.00 N ATOM 234 CA PHE A 14 -10.523 -3.597 -4.850 1.00 0.00 C ATOM 235 C PHE A 14 -10.456 -3.006 -3.441 1.00 0.00 C ATOM 236 O PHE A 14 -11.443 -2.470 -2.940 1.00 0.00 O ATOM 237 CB PHE A 14 -11.166 -4.984 -4.778 1.00 0.00 C ATOM 238 CG PHE A 14 -12.692 -4.970 -4.886 1.00 0.00 C ATOM 239 CD1 PHE A 14 -13.447 -4.675 -3.794 1.00 0.00 C ATOM 240 CD2 PHE A 14 -13.293 -5.251 -6.073 1.00 0.00 C ATOM 241 CE1 PHE A 14 -14.864 -4.662 -3.893 1.00 0.00 C ATOM 242 CE2 PHE A 14 -14.709 -5.237 -6.172 1.00 0.00 C ATOM 243 CZ PHE A 14 -15.465 -4.943 -5.080 1.00 0.00 C ATOM 0 H PHE A 14 -8.925 -4.744 -5.572 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.098 -2.913 -5.475 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.761 -5.603 -5.579 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.883 -5.456 -3.837 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.969 -4.451 -2.852 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.693 -5.485 -6.940 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.464 -4.429 -3.026 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.186 -5.460 -7.115 1.00 0.00 H new ATOM 0 HZ PHE A 14 -16.542 -4.933 -5.156 1.00 0.00 H new ATOM 253 N GLN A 15 -9.281 -3.124 -2.840 1.00 0.00 N ATOM 254 CA GLN A 15 -9.071 -2.608 -1.498 1.00 0.00 C ATOM 255 C GLN A 15 -8.704 -1.124 -1.551 1.00 0.00 C ATOM 256 O GLN A 15 -9.361 -0.295 -0.923 1.00 0.00 O ATOM 257 CB GLN A 15 -7.998 -3.413 -0.762 1.00 0.00 C ATOM 258 CG GLN A 15 -8.629 -4.391 0.231 1.00 0.00 C ATOM 259 CD GLN A 15 -8.218 -4.056 1.666 1.00 0.00 C ATOM 260 OE1 GLN A 15 -7.197 -4.498 2.166 1.00 0.00 O ATOM 261 NE2 GLN A 15 -9.069 -3.254 2.299 1.00 0.00 N ATOM 0 H GLN A 15 -8.464 -3.570 -3.258 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.002 -2.712 -0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.392 -3.962 -1.483 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.328 -2.735 -0.234 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.715 -4.355 0.142 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.323 -5.409 -0.011 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.906 -2.920 1.821 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.885 -2.973 3.262 1.00 0.00 H new ATOM 270 N THR A 16 -7.655 -0.834 -2.306 1.00 0.00 N ATOM 271 CA THR A 16 -7.193 0.536 -2.450 1.00 0.00 C ATOM 272 C THR A 16 -8.377 1.478 -2.677 1.00 0.00 C ATOM 273 O THR A 16 -8.776 2.209 -1.771 1.00 0.00 O ATOM 274 CB THR A 16 -6.163 0.572 -3.581 1.00 0.00 C ATOM 275 OG1 THR A 16 -6.851 0.011 -4.695 1.00 0.00 O ATOM 276 CG2 THR A 16 -4.996 -0.389 -3.341 1.00 0.00 C ATOM 0 H THR A 16 -7.112 -1.524 -2.825 1.00 0.00 H new ATOM 0 HA THR A 16 -6.709 0.887 -1.539 1.00 0.00 H new ATOM 0 HB THR A 16 -5.781 1.587 -3.692 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.457 -0.694 -4.384 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.294 -0.324 -4.173 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.487 -0.120 -2.415 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.374 -1.408 -3.264 1.00 0.00 H new ATOM 284 N ARG A 17 -8.905 1.431 -3.891 1.00 0.00 N ATOM 285 CA ARG A 17 -10.036 2.270 -4.248 1.00 0.00 C ATOM 286 C ARG A 17 -9.612 3.740 -4.295 1.00 0.00 C ATOM 287 O ARG A 17 -9.274 4.325 -3.268 1.00 0.00 O ATOM 288 CB ARG A 17 -11.181 2.109 -3.246 1.00 0.00 C ATOM 289 CG ARG A 17 -11.419 0.633 -2.919 1.00 0.00 C ATOM 290 CD ARG A 17 -12.865 0.232 -3.215 1.00 0.00 C ATOM 291 NE ARG A 17 -12.953 -0.392 -4.555 1.00 0.00 N ATOM 292 CZ ARG A 17 -14.062 -0.989 -5.040 1.00 0.00 C ATOM 293 NH1 ARG A 17 -15.188 -1.048 -4.299 1.00 0.00 N ATOM 294 NH2 ARG A 17 -14.028 -1.514 -6.251 1.00 0.00 N ATOM 0 H ARG A 17 -8.570 0.825 -4.640 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.384 1.956 -5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.949 2.655 -2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.092 2.546 -3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.739 0.013 -3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.195 0.449 -1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.220 -0.465 -2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.511 1.109 -3.170 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.124 -0.369 -5.148 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.206 -0.639 -3.365 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.022 -1.501 -4.673 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.173 -1.465 -6.804 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.857 -1.969 -6.633 1.00 0.00 H new ATOM 307 N ARG A 18 -9.643 4.293 -5.499 1.00 0.00 N ATOM 308 CA ARG A 18 -9.266 5.683 -5.693 1.00 0.00 C ATOM 309 C ARG A 18 -10.460 6.600 -5.418 1.00 0.00 C ATOM 310 O ARG A 18 -10.990 7.227 -6.334 1.00 0.00 O ATOM 311 CB ARG A 18 -8.765 5.924 -7.118 1.00 0.00 C ATOM 312 CG ARG A 18 -9.898 5.762 -8.133 1.00 0.00 C ATOM 313 CD ARG A 18 -9.516 4.762 -9.227 1.00 0.00 C ATOM 314 NE ARG A 18 -10.286 5.042 -10.460 1.00 0.00 N ATOM 315 CZ ARG A 18 -11.616 4.846 -10.583 1.00 0.00 C ATOM 316 NH1 ARG A 18 -12.336 4.367 -9.547 1.00 0.00 N ATOM 317 NH2 ARG A 18 -12.201 5.131 -11.731 1.00 0.00 N ATOM 0 H ARG A 18 -9.923 3.804 -6.349 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.461 5.909 -4.994 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.344 6.927 -7.195 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.963 5.223 -7.348 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.801 5.423 -7.625 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.129 6.728 -8.583 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.448 4.826 -9.433 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.714 3.745 -8.887 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.780 5.406 -11.267 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.876 4.150 -8.663 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.341 4.222 -9.648 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.649 5.493 -12.508 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.205 4.989 -11.841 1.00 0.00 H new ATOM 330 N GLY A 19 -10.848 6.650 -4.152 1.00 0.00 N ATOM 331 CA GLY A 19 -11.969 7.480 -3.745 1.00 0.00 C ATOM 332 C GLY A 19 -11.650 8.964 -3.936 1.00 0.00 C ATOM 333 O GLY A 19 -12.529 9.814 -3.801 1.00 0.00 O ATOM 0 H GLY A 19 -10.406 6.129 -3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.852 7.216 -4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.208 7.287 -2.699 1.00 0.00 H new ATOM 337 N LEU A 20 -10.390 9.230 -4.246 1.00 0.00 N ATOM 338 CA LEU A 20 -9.944 10.597 -4.456 1.00 0.00 C ATOM 339 C LEU A 20 -9.191 10.685 -5.786 1.00 0.00 C ATOM 340 O LEU A 20 -8.768 9.667 -6.332 1.00 0.00 O ATOM 341 CB LEU A 20 -9.131 11.086 -3.256 1.00 0.00 C ATOM 342 CG LEU A 20 -9.859 12.025 -2.291 1.00 0.00 C ATOM 343 CD1 LEU A 20 -10.940 11.276 -1.509 1.00 0.00 C ATOM 344 CD2 LEU A 20 -8.868 12.734 -1.365 1.00 0.00 C ATOM 0 H LEU A 20 -9.664 8.522 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.799 11.269 -4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.788 10.216 -2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.243 11.597 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.361 12.796 -2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.442 11.966 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.667 10.857 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.482 10.471 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.411 13.395 -0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.319 11.993 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.168 13.319 -1.961 1.00 0.00 H new ATOM 356 N LEU A 21 -9.046 11.910 -6.268 1.00 0.00 N ATOM 357 CA LEU A 21 -8.352 12.144 -7.522 1.00 0.00 C ATOM 358 C LEU A 21 -6.879 11.760 -7.364 1.00 0.00 C ATOM 359 O LEU A 21 -6.412 10.807 -7.986 1.00 0.00 O ATOM 360 CB LEU A 21 -8.565 13.584 -7.992 1.00 0.00 C ATOM 361 CG LEU A 21 -7.655 14.061 -9.126 1.00 0.00 C ATOM 362 CD1 LEU A 21 -7.782 13.152 -10.350 1.00 0.00 C ATOM 363 CD2 LEU A 21 -7.929 15.527 -9.470 1.00 0.00 C ATOM 0 H LEU A 21 -9.398 12.752 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.764 11.512 -8.309 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.601 13.690 -8.315 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.427 14.248 -7.139 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.622 13.998 -8.784 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.125 13.513 -11.141 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.498 12.135 -10.079 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.813 13.159 -10.703 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.269 15.840 -10.279 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.967 15.639 -9.784 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.747 16.147 -8.592 1.00 0.00 H new ATOM 375 N GLU A 22 -6.188 12.522 -6.529 1.00 0.00 N ATOM 376 CA GLU A 22 -4.778 12.274 -6.281 1.00 0.00 C ATOM 377 C GLU A 22 -4.551 10.799 -5.943 1.00 0.00 C ATOM 378 O GLU A 22 -3.557 10.209 -6.363 1.00 0.00 O ATOM 379 CB GLU A 22 -4.249 13.180 -5.168 1.00 0.00 C ATOM 380 CG GLU A 22 -2.785 13.551 -5.412 1.00 0.00 C ATOM 381 CD GLU A 22 -2.655 15.013 -5.843 1.00 0.00 C ATOM 382 OE1 GLU A 22 -2.386 15.885 -5.004 1.00 0.00 O ATOM 383 OE2 GLU A 22 -2.842 15.230 -7.101 1.00 0.00 O ATOM 0 H GLU A 22 -6.579 13.312 -6.015 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.222 12.508 -7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.853 14.086 -5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.344 12.675 -4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.207 13.383 -4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.365 12.903 -6.181 1.00 0.00 H new ATOM 391 N LEU A 23 -5.488 10.247 -5.187 1.00 0.00 N ATOM 392 CA LEU A 23 -5.402 8.853 -4.787 1.00 0.00 C ATOM 393 C LEU A 23 -5.225 7.980 -6.031 1.00 0.00 C ATOM 394 O LEU A 23 -4.248 7.242 -6.142 1.00 0.00 O ATOM 395 CB LEU A 23 -6.610 8.465 -3.931 1.00 0.00 C ATOM 396 CG LEU A 23 -6.308 7.631 -2.684 1.00 0.00 C ATOM 397 CD1 LEU A 23 -5.105 6.715 -2.916 1.00 0.00 C ATOM 398 CD2 LEU A 23 -6.119 8.526 -1.458 1.00 0.00 C ATOM 0 H LEU A 23 -6.311 10.740 -4.841 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.528 8.691 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.118 9.378 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.309 7.909 -4.555 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.167 6.990 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.911 6.133 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.316 6.040 -3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.229 7.318 -3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.906 7.908 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.287 9.209 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.029 9.099 -1.282 1.00 0.00 H new ATOM 410 N ASP A 24 -6.186 8.094 -6.936 1.00 0.00 N ATOM 411 CA ASP A 24 -6.149 7.324 -8.168 1.00 0.00 C ATOM 412 C ASP A 24 -4.746 7.406 -8.773 1.00 0.00 C ATOM 413 O ASP A 24 -4.262 6.440 -9.361 1.00 0.00 O ATOM 414 CB ASP A 24 -7.139 7.878 -9.194 1.00 0.00 C ATOM 415 CG ASP A 24 -6.663 7.825 -10.647 1.00 0.00 C ATOM 416 OD1 ASP A 24 -6.316 8.856 -11.243 1.00 0.00 O ATOM 417 OD2 ASP A 24 -6.656 6.649 -11.176 1.00 0.00 O ATOM 0 H ASP A 24 -6.995 8.708 -6.841 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.415 6.294 -7.930 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.073 7.321 -9.113 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.362 8.914 -8.938 1.00 0.00 H new ATOM 423 N LEU A 25 -4.132 8.568 -8.608 1.00 0.00 N ATOM 424 CA LEU A 25 -2.794 8.789 -9.130 1.00 0.00 C ATOM 425 C LEU A 25 -1.779 8.067 -8.242 1.00 0.00 C ATOM 426 O LEU A 25 -0.859 7.422 -8.743 1.00 0.00 O ATOM 427 CB LEU A 25 -2.520 10.286 -9.286 1.00 0.00 C ATOM 428 CG LEU A 25 -3.702 11.140 -9.746 1.00 0.00 C ATOM 429 CD1 LEU A 25 -3.301 12.612 -9.868 1.00 0.00 C ATOM 430 CD2 LEU A 25 -4.296 10.598 -11.048 1.00 0.00 C ATOM 0 H LEU A 25 -4.537 9.367 -8.120 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.701 8.366 -10.130 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.169 10.672 -8.329 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.706 10.414 -9.999 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.482 11.081 -8.987 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.160 13.197 -10.197 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.962 12.978 -8.899 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.495 12.711 -10.595 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.135 11.223 -11.353 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.534 10.607 -11.827 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.643 9.576 -10.892 1.00 0.00 H new ATOM 442 N ILE A 26 -1.981 8.198 -6.940 1.00 0.00 N ATOM 443 CA ILE A 26 -1.094 7.566 -5.977 1.00 0.00 C ATOM 444 C ILE A 26 -0.973 6.076 -6.304 1.00 0.00 C ATOM 445 O ILE A 26 0.115 5.591 -6.608 1.00 0.00 O ATOM 446 CB ILE A 26 -1.567 7.846 -4.549 1.00 0.00 C ATOM 447 CG1 ILE A 26 -1.519 9.343 -4.239 1.00 0.00 C ATOM 448 CG2 ILE A 26 -0.767 7.024 -3.536 1.00 0.00 C ATOM 449 CD1 ILE A 26 -2.496 9.703 -3.118 1.00 0.00 C ATOM 0 H ILE A 26 -2.746 8.733 -6.528 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.092 7.990 -6.045 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.608 7.534 -4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.507 9.626 -3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.764 9.912 -5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.123 7.241 -2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.897 5.962 -3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.289 7.282 -3.611 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.442 10.773 -2.918 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.510 9.442 -3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.234 9.151 -2.215 1.00 0.00 H new ATOM 461 N PHE A 27 -2.106 5.393 -6.231 1.00 0.00 N ATOM 462 CA PHE A 27 -2.140 3.968 -6.515 1.00 0.00 C ATOM 463 C PHE A 27 -1.611 3.677 -7.921 1.00 0.00 C ATOM 464 O PHE A 27 -0.883 2.707 -8.126 1.00 0.00 O ATOM 465 CB PHE A 27 -3.604 3.531 -6.433 1.00 0.00 C ATOM 466 CG PHE A 27 -4.161 3.488 -5.009 1.00 0.00 C ATOM 467 CD1 PHE A 27 -3.453 2.881 -4.019 1.00 0.00 C ATOM 468 CD2 PHE A 27 -5.365 4.056 -4.733 1.00 0.00 C ATOM 469 CE1 PHE A 27 -3.970 2.841 -2.698 1.00 0.00 C ATOM 470 CE2 PHE A 27 -5.883 4.017 -3.411 1.00 0.00 C ATOM 471 CZ PHE A 27 -5.174 3.409 -2.421 1.00 0.00 C ATOM 0 H PHE A 27 -3.007 5.800 -5.979 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.514 3.431 -5.802 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.210 4.213 -7.029 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.703 2.542 -6.881 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.497 2.429 -4.238 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.928 4.537 -5.519 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.407 2.359 -1.912 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.839 4.469 -3.192 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.568 3.378 -1.416 1.00 0.00 H new ATOM 481 N GLY A 28 -1.997 4.535 -8.854 1.00 0.00 N ATOM 482 CA GLY A 28 -1.571 4.382 -10.234 1.00 0.00 C ATOM 483 C GLY A 28 -0.092 3.999 -10.312 1.00 0.00 C ATOM 484 O GLY A 28 0.260 2.990 -10.922 1.00 0.00 O ATOM 0 H GLY A 28 -2.601 5.339 -8.681 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.175 3.617 -10.722 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.738 5.313 -10.775 1.00 0.00 H new ATOM 488 N ARG A 29 0.734 4.825 -9.687 1.00 0.00 N ATOM 489 CA ARG A 29 2.167 4.585 -9.677 1.00 0.00 C ATOM 490 C ARG A 29 2.538 3.627 -8.544 1.00 0.00 C ATOM 491 O ARG A 29 3.130 2.576 -8.783 1.00 0.00 O ATOM 492 CB ARG A 29 2.943 5.892 -9.505 1.00 0.00 C ATOM 493 CG ARG A 29 3.247 6.532 -10.862 1.00 0.00 C ATOM 494 CD ARG A 29 4.256 5.693 -11.649 1.00 0.00 C ATOM 495 NE ARG A 29 4.705 6.435 -12.848 1.00 0.00 N ATOM 496 CZ ARG A 29 5.192 5.849 -13.963 1.00 0.00 C ATOM 497 NH1 ARG A 29 5.297 4.505 -14.040 1.00 0.00 N ATOM 498 NH2 ARG A 29 5.563 6.609 -14.976 1.00 0.00 N ATOM 0 H ARG A 29 0.438 5.661 -9.184 1.00 0.00 H new ATOM 0 HA ARG A 29 2.435 4.140 -10.635 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.365 6.585 -8.894 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.875 5.699 -8.973 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.326 6.632 -11.436 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.641 7.537 -10.714 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.112 5.452 -11.018 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.802 4.747 -11.945 1.00 0.00 H new ATOM 0 HE ARG A 29 4.643 7.453 -12.831 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.007 3.925 -13.253 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.666 4.070 -14.886 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.480 7.623 -14.910 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.933 6.182 -15.825 1.00 0.00 H new ATOM 511 N PHE A 30 2.174 4.024 -7.333 1.00 0.00 N ATOM 512 CA PHE A 30 2.461 3.214 -6.162 1.00 0.00 C ATOM 513 C PHE A 30 2.250 1.728 -6.458 1.00 0.00 C ATOM 514 O PHE A 30 2.916 0.874 -5.874 1.00 0.00 O ATOM 515 CB PHE A 30 1.483 3.648 -5.068 1.00 0.00 C ATOM 516 CG PHE A 30 1.417 2.689 -3.877 1.00 0.00 C ATOM 517 CD1 PHE A 30 2.548 2.081 -3.430 1.00 0.00 C ATOM 518 CD2 PHE A 30 0.227 2.445 -3.266 1.00 0.00 C ATOM 519 CE1 PHE A 30 2.487 1.191 -2.325 1.00 0.00 C ATOM 520 CE2 PHE A 30 0.165 1.555 -2.161 1.00 0.00 C ATOM 521 CZ PHE A 30 1.297 0.947 -1.714 1.00 0.00 C ATOM 0 H PHE A 30 1.683 4.896 -7.138 1.00 0.00 H new ATOM 0 HA PHE A 30 3.499 3.353 -5.859 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.770 4.637 -4.710 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.487 3.742 -5.501 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.493 2.275 -3.915 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.671 2.928 -3.621 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.385 0.708 -1.970 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.780 1.361 -1.676 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.250 0.270 -0.874 1.00 0.00 H new ATOM 531 N MET A 31 1.320 1.464 -7.364 1.00 0.00 N ATOM 532 CA MET A 31 1.013 0.096 -7.745 1.00 0.00 C ATOM 533 C MET A 31 1.960 -0.393 -8.843 1.00 0.00 C ATOM 534 O MET A 31 2.655 -1.394 -8.668 1.00 0.00 O ATOM 535 CB MET A 31 -0.431 0.016 -8.244 1.00 0.00 C ATOM 536 CG MET A 31 -1.420 0.214 -7.093 1.00 0.00 C ATOM 537 SD MET A 31 -3.094 0.145 -7.708 1.00 0.00 S ATOM 538 CE MET A 31 -3.679 -1.308 -6.851 1.00 0.00 C ATOM 0 H MET A 31 0.769 2.175 -7.845 1.00 0.00 H new ATOM 0 HA MET A 31 1.140 -0.542 -6.870 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.599 0.776 -9.007 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.604 -0.952 -8.715 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.270 -0.556 -6.337 1.00 0.00 H new ATOM 0 HG3 MET A 31 -1.241 1.174 -6.610 1.00 0.00 H new ATOM 0 HE1 MET A 31 -4.743 -1.202 -6.640 1.00 0.00 H new ATOM 0 HE2 MET A 31 -3.518 -2.187 -7.475 1.00 0.00 H new ATOM 0 HE3 MET A 31 -3.133 -1.423 -5.915 1.00 0.00 H new ATOM 548 N GLU A 32 1.958 0.335 -9.950 1.00 0.00 N ATOM 549 CA GLU A 32 2.808 -0.013 -11.076 1.00 0.00 C ATOM 550 C GLU A 32 4.227 -0.322 -10.594 1.00 0.00 C ATOM 551 O GLU A 32 4.970 -1.039 -11.262 1.00 0.00 O ATOM 552 CB GLU A 32 2.815 1.103 -12.122 1.00 0.00 C ATOM 553 CG GLU A 32 2.662 0.533 -13.534 1.00 0.00 C ATOM 554 CD GLU A 32 3.836 -0.383 -13.885 1.00 0.00 C ATOM 555 OE1 GLU A 32 3.689 -1.614 -13.868 1.00 0.00 O ATOM 556 OE2 GLU A 32 4.932 0.227 -14.186 1.00 0.00 O ATOM 0 H GLU A 32 1.381 1.164 -10.091 1.00 0.00 H new ATOM 0 HA GLU A 32 2.403 -0.908 -11.549 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.004 1.802 -11.918 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.746 1.666 -12.052 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.728 -0.023 -13.606 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.604 1.348 -14.255 1.00 0.00 H new ATOM 564 N LYS A 33 4.559 0.234 -9.439 1.00 0.00 N ATOM 565 CA LYS A 33 5.876 0.026 -8.860 1.00 0.00 C ATOM 566 C LYS A 33 5.820 -1.153 -7.887 1.00 0.00 C ATOM 567 O LYS A 33 6.697 -2.016 -7.902 1.00 0.00 O ATOM 568 CB LYS A 33 6.394 1.320 -8.229 1.00 0.00 C ATOM 569 CG LYS A 33 7.904 1.462 -8.429 1.00 0.00 C ATOM 570 CD LYS A 33 8.539 2.245 -7.278 1.00 0.00 C ATOM 571 CE LYS A 33 8.429 1.472 -5.962 1.00 0.00 C ATOM 572 NZ LYS A 33 9.695 1.562 -5.201 1.00 0.00 N ATOM 0 H LYS A 33 3.940 0.828 -8.888 1.00 0.00 H new ATOM 0 HA LYS A 33 6.596 -0.234 -9.635 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.883 2.175 -8.672 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.162 1.327 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.360 0.474 -8.496 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.103 1.970 -9.373 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.588 2.441 -7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.048 3.213 -7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.610 1.873 -5.365 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.194 0.427 -6.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.532 1.260 -4.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.408 0.945 -5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.036 2.545 -5.209 1.00 0.00 H new ATOM 585 N GLU A 34 4.781 -1.153 -7.065 1.00 0.00 N ATOM 586 CA GLU A 34 4.600 -2.212 -6.087 1.00 0.00 C ATOM 587 C GLU A 34 3.735 -3.331 -6.671 1.00 0.00 C ATOM 588 O GLU A 34 4.230 -4.422 -6.950 1.00 0.00 O ATOM 589 CB GLU A 34 3.992 -1.666 -4.794 1.00 0.00 C ATOM 590 CG GLU A 34 4.965 -0.722 -4.086 1.00 0.00 C ATOM 591 CD GLU A 34 6.320 -1.397 -3.863 1.00 0.00 C ATOM 592 OE1 GLU A 34 6.381 -2.484 -3.269 1.00 0.00 O ATOM 593 OE2 GLU A 34 7.334 -0.753 -4.333 1.00 0.00 O ATOM 0 H GLU A 34 4.056 -0.436 -7.056 1.00 0.00 H new ATOM 0 HA GLU A 34 5.578 -2.626 -5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.066 -1.137 -5.019 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.735 -2.493 -4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.098 0.182 -4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.546 -0.414 -3.128 1.00 0.00 H new ATOM 601 N PHE A 35 2.458 -3.021 -6.839 1.00 0.00 N ATOM 602 CA PHE A 35 1.519 -3.987 -7.385 1.00 0.00 C ATOM 603 C PHE A 35 2.167 -4.812 -8.498 1.00 0.00 C ATOM 604 O PHE A 35 1.784 -5.958 -8.730 1.00 0.00 O ATOM 605 CB PHE A 35 0.349 -3.193 -7.969 1.00 0.00 C ATOM 606 CG PHE A 35 -0.664 -4.048 -8.732 1.00 0.00 C ATOM 607 CD1 PHE A 35 -1.312 -5.063 -8.098 1.00 0.00 C ATOM 608 CD2 PHE A 35 -0.917 -3.795 -10.044 1.00 0.00 C ATOM 609 CE1 PHE A 35 -2.252 -5.856 -8.807 1.00 0.00 C ATOM 610 CE2 PHE A 35 -1.857 -4.589 -10.752 1.00 0.00 C ATOM 611 CZ PHE A 35 -2.505 -5.603 -10.119 1.00 0.00 C ATOM 0 H PHE A 35 2.051 -2.115 -6.607 1.00 0.00 H new ATOM 0 HA PHE A 35 1.194 -4.673 -6.603 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.165 -2.675 -7.159 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.741 -2.428 -8.639 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.111 -5.265 -7.056 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.403 -2.990 -10.547 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.767 -6.661 -8.304 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.058 -4.388 -11.794 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.220 -6.207 -10.658 1.00 0.00 H new ATOM 621 N GLU A 36 3.137 -4.197 -9.159 1.00 0.00 N ATOM 622 CA GLU A 36 3.842 -4.861 -10.243 1.00 0.00 C ATOM 623 C GLU A 36 3.996 -6.353 -9.941 1.00 0.00 C ATOM 624 O GLU A 36 3.613 -7.196 -10.751 1.00 0.00 O ATOM 625 CB GLU A 36 5.203 -4.208 -10.492 1.00 0.00 C ATOM 626 CG GLU A 36 5.995 -4.980 -11.550 1.00 0.00 C ATOM 627 CD GLU A 36 6.888 -4.039 -12.361 1.00 0.00 C ATOM 628 OE1 GLU A 36 7.986 -3.682 -11.907 1.00 0.00 O ATOM 629 OE2 GLU A 36 6.406 -3.677 -13.501 1.00 0.00 O ATOM 0 H GLU A 36 3.451 -3.246 -8.965 1.00 0.00 H new ATOM 0 HA GLU A 36 3.252 -4.754 -11.154 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.062 -3.177 -10.818 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.770 -4.173 -9.562 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.607 -5.742 -11.067 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.307 -5.499 -12.217 1.00 0.00 H new ATOM 637 N HIS A 37 4.557 -6.633 -8.774 1.00 0.00 N ATOM 638 CA HIS A 37 4.766 -8.009 -8.355 1.00 0.00 C ATOM 639 C HIS A 37 4.840 -8.075 -6.829 1.00 0.00 C ATOM 640 O HIS A 37 5.761 -8.672 -6.273 1.00 0.00 O ATOM 641 CB HIS A 37 6.002 -8.601 -9.035 1.00 0.00 C ATOM 642 CG HIS A 37 5.689 -9.669 -10.056 1.00 0.00 C ATOM 643 ND1 HIS A 37 5.445 -10.987 -9.711 1.00 0.00 N ATOM 644 CD2 HIS A 37 5.582 -9.600 -11.414 1.00 0.00 C ATOM 645 CE1 HIS A 37 5.204 -11.671 -10.820 1.00 0.00 C ATOM 646 NE2 HIS A 37 5.290 -10.810 -11.874 1.00 0.00 N ATOM 0 H HIS A 37 4.873 -5.931 -8.105 1.00 0.00 H new ATOM 0 HA HIS A 37 3.921 -8.622 -8.669 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.556 -7.798 -9.522 1.00 0.00 H new ATOM 0 HB3 HIS A 37 6.657 -9.023 -8.272 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.713 -8.711 -12.013 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.979 -12.726 -10.879 1.00 0.00 H new ATOM 0 HE2 HIS A 37 5.153 -11.056 -12.854 1.00 0.00 H new ATOM 654 N LEU A 38 3.857 -7.453 -6.193 1.00 0.00 N ATOM 655 CA LEU A 38 3.799 -7.434 -4.741 1.00 0.00 C ATOM 656 C LEU A 38 4.050 -8.845 -4.206 1.00 0.00 C ATOM 657 O LEU A 38 3.406 -9.800 -4.638 1.00 0.00 O ATOM 658 CB LEU A 38 2.480 -6.822 -4.266 1.00 0.00 C ATOM 659 CG LEU A 38 2.410 -5.293 -4.271 1.00 0.00 C ATOM 660 CD1 LEU A 38 0.978 -4.810 -4.031 1.00 0.00 C ATOM 661 CD2 LEU A 38 3.393 -4.696 -3.262 1.00 0.00 C ATOM 0 H LEU A 38 3.095 -6.959 -6.657 1.00 0.00 H new ATOM 0 HA LEU A 38 4.584 -6.795 -4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.677 -7.205 -4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.284 -7.172 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 38 2.708 -4.940 -5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.955 -3.720 -4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.328 -5.192 -4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.629 -5.173 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.323 -3.608 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.150 -5.054 -2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.408 -5.000 -3.519 1.00 0.00 H new ATOM 673 N SER A 39 4.988 -8.932 -3.274 1.00 0.00 N ATOM 674 CA SER A 39 5.332 -10.211 -2.676 1.00 0.00 C ATOM 675 C SER A 39 4.251 -10.629 -1.676 1.00 0.00 C ATOM 676 O SER A 39 3.441 -9.806 -1.253 1.00 0.00 O ATOM 677 CB SER A 39 6.696 -10.147 -1.987 1.00 0.00 C ATOM 678 OG SER A 39 7.591 -9.262 -2.655 1.00 0.00 O ATOM 0 H SER A 39 5.520 -8.138 -2.918 1.00 0.00 H new ATOM 0 HA SER A 39 5.391 -10.955 -3.470 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.566 -9.820 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.132 -11.145 -1.953 1.00 0.00 H new ATOM 0 HG SER A 39 8.450 -9.248 -2.183 1.00 0.00 H new ATOM 684 N ASP A 40 4.274 -11.907 -1.329 1.00 0.00 N ATOM 685 CA ASP A 40 3.306 -12.444 -0.387 1.00 0.00 C ATOM 686 C ASP A 40 3.441 -11.711 0.949 1.00 0.00 C ATOM 687 O ASP A 40 2.461 -11.185 1.474 1.00 0.00 O ATOM 688 CB ASP A 40 3.550 -13.933 -0.137 1.00 0.00 C ATOM 689 CG ASP A 40 2.786 -14.523 1.051 1.00 0.00 C ATOM 690 OD1 ASP A 40 1.799 -15.253 0.877 1.00 0.00 O ATOM 691 OD2 ASP A 40 3.249 -14.200 2.211 1.00 0.00 O ATOM 0 H ASP A 40 4.947 -12.587 -1.683 1.00 0.00 H new ATOM 0 HA ASP A 40 2.311 -12.308 -0.810 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.278 -14.486 -1.036 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.617 -14.089 0.023 1.00 0.00 H new ATOM 697 N LYS A 41 4.663 -11.701 1.461 1.00 0.00 N ATOM 698 CA LYS A 41 4.938 -11.042 2.727 1.00 0.00 C ATOM 699 C LYS A 41 4.703 -9.537 2.575 1.00 0.00 C ATOM 700 O LYS A 41 4.167 -8.895 3.477 1.00 0.00 O ATOM 701 CB LYS A 41 6.341 -11.398 3.222 1.00 0.00 C ATOM 702 CG LYS A 41 6.612 -10.777 4.594 1.00 0.00 C ATOM 703 CD LYS A 41 7.256 -11.793 5.539 1.00 0.00 C ATOM 704 CE LYS A 41 7.200 -11.307 6.988 1.00 0.00 C ATOM 705 NZ LYS A 41 8.559 -10.991 7.481 1.00 0.00 N ATOM 0 H LYS A 41 5.474 -12.138 1.023 1.00 0.00 H new ATOM 0 HA LYS A 41 4.253 -11.396 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.445 -12.481 3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.084 -11.045 2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.267 -9.913 4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.678 -10.416 5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.743 -12.751 5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.293 -11.960 5.247 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.567 -10.422 7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.747 -12.073 7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.503 -10.663 8.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.153 -11.844 7.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.978 -10.244 6.890 1.00 0.00 H new ATOM 718 N GLU A 42 5.115 -9.019 1.427 1.00 0.00 N ATOM 719 CA GLU A 42 4.956 -7.603 1.145 1.00 0.00 C ATOM 720 C GLU A 42 3.472 -7.236 1.092 1.00 0.00 C ATOM 721 O GLU A 42 3.072 -6.180 1.580 1.00 0.00 O ATOM 722 CB GLU A 42 5.663 -7.220 -0.156 1.00 0.00 C ATOM 723 CG GLU A 42 7.181 -7.192 0.031 1.00 0.00 C ATOM 724 CD GLU A 42 7.739 -5.790 -0.220 1.00 0.00 C ATOM 725 OE1 GLU A 42 7.227 -5.065 -1.085 1.00 0.00 O ATOM 726 OE2 GLU A 42 8.741 -5.461 0.523 1.00 0.00 O ATOM 0 H GLU A 42 5.559 -9.555 0.681 1.00 0.00 H new ATOM 0 HA GLU A 42 5.421 -7.037 1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.403 -7.933 -0.939 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.316 -6.241 -0.488 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.432 -7.511 1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.648 -7.901 -0.653 1.00 0.00 H new ATOM 734 N LEU A 43 2.695 -8.128 0.495 1.00 0.00 N ATOM 735 CA LEU A 43 1.264 -7.911 0.371 1.00 0.00 C ATOM 736 C LEU A 43 0.687 -7.553 1.742 1.00 0.00 C ATOM 737 O LEU A 43 -0.331 -6.868 1.831 1.00 0.00 O ATOM 738 CB LEU A 43 0.593 -9.121 -0.282 1.00 0.00 C ATOM 739 CG LEU A 43 0.653 -9.178 -1.810 1.00 0.00 C ATOM 740 CD1 LEU A 43 0.451 -10.609 -2.313 1.00 0.00 C ATOM 741 CD2 LEU A 43 -0.348 -8.204 -2.434 1.00 0.00 C ATOM 0 H LEU A 43 3.030 -9.003 0.092 1.00 0.00 H new ATOM 0 HA LEU A 43 1.062 -7.069 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.055 -10.025 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.454 -9.139 0.022 1.00 0.00 H new ATOM 0 HG LEU A 43 1.648 -8.863 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.498 -10.622 -3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.234 -11.251 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.523 -10.975 -1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.285 -8.264 -3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.357 -8.464 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.116 -7.189 -2.113 1.00 0.00 H new ATOM 753 N SER A 44 1.362 -8.032 2.776 1.00 0.00 N ATOM 754 CA SER A 44 0.928 -7.771 4.138 1.00 0.00 C ATOM 755 C SER A 44 1.007 -6.272 4.434 1.00 0.00 C ATOM 756 O SER A 44 0.036 -5.675 4.898 1.00 0.00 O ATOM 757 CB SER A 44 1.773 -8.555 5.145 1.00 0.00 C ATOM 758 OG SER A 44 1.078 -8.773 6.370 1.00 0.00 O ATOM 0 H SER A 44 2.206 -8.599 2.698 1.00 0.00 H new ATOM 0 HA SER A 44 -0.106 -8.101 4.236 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.055 -9.515 4.712 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.697 -8.012 5.344 1.00 0.00 H new ATOM 0 HG SER A 44 1.650 -9.278 6.985 1.00 0.00 H new ATOM 764 N GLU A 45 2.171 -5.706 4.154 1.00 0.00 N ATOM 765 CA GLU A 45 2.389 -4.288 4.384 1.00 0.00 C ATOM 766 C GLU A 45 1.310 -3.464 3.677 1.00 0.00 C ATOM 767 O GLU A 45 0.656 -2.627 4.299 1.00 0.00 O ATOM 768 CB GLU A 45 3.787 -3.866 3.928 1.00 0.00 C ATOM 769 CG GLU A 45 4.861 -4.430 4.861 1.00 0.00 C ATOM 770 CD GLU A 45 6.255 -3.960 4.439 1.00 0.00 C ATOM 771 OE1 GLU A 45 6.856 -3.115 5.119 1.00 0.00 O ATOM 772 OE2 GLU A 45 6.712 -4.505 3.364 1.00 0.00 O ATOM 0 H GLU A 45 2.974 -6.204 3.770 1.00 0.00 H new ATOM 0 HA GLU A 45 2.320 -4.099 5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.963 -4.216 2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.854 -2.778 3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.661 -4.114 5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.822 -5.519 4.850 1.00 0.00 H new ATOM 780 N PHE A 46 1.158 -3.729 2.388 1.00 0.00 N ATOM 781 CA PHE A 46 0.169 -3.022 1.591 1.00 0.00 C ATOM 782 C PHE A 46 -1.212 -3.087 2.246 1.00 0.00 C ATOM 783 O PHE A 46 -1.783 -2.057 2.600 1.00 0.00 O ATOM 784 CB PHE A 46 0.109 -3.721 0.231 1.00 0.00 C ATOM 785 CG PHE A 46 0.128 -2.764 -0.962 1.00 0.00 C ATOM 786 CD1 PHE A 46 -1.033 -2.217 -1.414 1.00 0.00 C ATOM 787 CD2 PHE A 46 1.305 -2.460 -1.571 1.00 0.00 C ATOM 788 CE1 PHE A 46 -1.015 -1.328 -2.521 1.00 0.00 C ATOM 789 CE2 PHE A 46 1.323 -1.571 -2.679 1.00 0.00 C ATOM 790 CZ PHE A 46 0.162 -1.024 -3.130 1.00 0.00 C ATOM 0 H PHE A 46 1.702 -4.423 1.876 1.00 0.00 H new ATOM 0 HA PHE A 46 0.448 -1.972 1.498 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.953 -4.405 0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.797 -4.325 0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.968 -2.459 -0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.226 -2.894 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.936 -0.893 -2.879 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.258 -1.330 -3.163 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.175 -0.348 -3.972 1.00 0.00 H new ATOM 800 N SER A 47 -1.708 -4.307 2.387 1.00 0.00 N ATOM 801 CA SER A 47 -3.011 -4.520 2.993 1.00 0.00 C ATOM 802 C SER A 47 -3.126 -3.708 4.285 1.00 0.00 C ATOM 803 O SER A 47 -3.930 -2.780 4.370 1.00 0.00 O ATOM 804 CB SER A 47 -3.252 -6.004 3.276 1.00 0.00 C ATOM 805 OG SER A 47 -4.384 -6.210 4.116 1.00 0.00 O ATOM 0 H SER A 47 -1.231 -5.159 2.092 1.00 0.00 H new ATOM 0 HA SER A 47 -3.774 -4.184 2.290 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.398 -6.534 2.335 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.367 -6.431 3.748 1.00 0.00 H new ATOM 0 HG SER A 47 -4.505 -7.170 4.272 1.00 0.00 H new ATOM 811 N GLU A 48 -2.311 -4.086 5.258 1.00 0.00 N ATOM 812 CA GLU A 48 -2.311 -3.404 6.542 1.00 0.00 C ATOM 813 C GLU A 48 -2.475 -1.896 6.342 1.00 0.00 C ATOM 814 O GLU A 48 -3.334 -1.274 6.965 1.00 0.00 O ATOM 815 CB GLU A 48 -1.037 -3.717 7.329 1.00 0.00 C ATOM 816 CG GLU A 48 -1.297 -3.666 8.836 1.00 0.00 C ATOM 817 CD GLU A 48 -2.088 -4.891 9.298 1.00 0.00 C ATOM 818 OE1 GLU A 48 -3.328 -4.868 9.289 1.00 0.00 O ATOM 819 OE2 GLU A 48 -1.369 -5.893 9.676 1.00 0.00 O ATOM 0 H GLU A 48 -1.646 -4.856 5.184 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.157 -3.768 7.125 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.668 -4.705 7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.258 -3.001 7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.348 -3.618 9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.848 -2.759 9.083 1.00 0.00 H new ATOM 827 N ILE A 49 -1.639 -1.353 5.470 1.00 0.00 N ATOM 828 CA ILE A 49 -1.681 0.071 5.180 1.00 0.00 C ATOM 829 C ILE A 49 -2.993 0.403 4.466 1.00 0.00 C ATOM 830 O ILE A 49 -3.610 1.430 4.742 1.00 0.00 O ATOM 831 CB ILE A 49 -0.433 0.496 4.404 1.00 0.00 C ATOM 832 CG1 ILE A 49 0.443 1.429 5.242 1.00 0.00 C ATOM 833 CG2 ILE A 49 -0.810 1.120 3.058 1.00 0.00 C ATOM 834 CD1 ILE A 49 1.818 1.615 4.599 1.00 0.00 C ATOM 0 H ILE A 49 -0.929 -1.873 4.955 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.666 0.649 6.104 1.00 0.00 H new ATOM 0 HB ILE A 49 0.157 -0.396 4.192 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.047 2.397 5.347 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.559 1.020 6.246 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.095 1.413 2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.361 0.393 2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.433 1.999 3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.420 2.283 5.215 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.315 0.649 4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.700 2.047 3.605 1.00 0.00 H new ATOM 846 N LEU A 50 -3.379 -0.486 3.563 1.00 0.00 N ATOM 847 CA LEU A 50 -4.606 -0.299 2.807 1.00 0.00 C ATOM 848 C LEU A 50 -5.774 -0.110 3.777 1.00 0.00 C ATOM 849 O LEU A 50 -6.756 0.555 3.450 1.00 0.00 O ATOM 850 CB LEU A 50 -4.807 -1.451 1.820 1.00 0.00 C ATOM 851 CG LEU A 50 -3.959 -1.399 0.547 1.00 0.00 C ATOM 852 CD1 LEU A 50 -4.283 -2.576 -0.376 1.00 0.00 C ATOM 853 CD2 LEU A 50 -4.118 -0.053 -0.163 1.00 0.00 C ATOM 0 H LEU A 50 -2.864 -1.337 3.338 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.546 0.604 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.594 -2.387 2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.858 -1.477 1.532 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.911 -1.491 0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.667 -2.515 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.077 -3.512 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.336 -2.540 -0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.505 -0.042 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.164 0.094 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.799 0.749 0.502 1.00 0.00 H new ATOM 865 N GLU A 51 -5.628 -0.707 4.951 1.00 0.00 N ATOM 866 CA GLU A 51 -6.659 -0.612 5.971 1.00 0.00 C ATOM 867 C GLU A 51 -7.298 0.778 5.953 1.00 0.00 C ATOM 868 O GLU A 51 -8.487 0.922 6.235 1.00 0.00 O ATOM 869 CB GLU A 51 -6.092 -0.937 7.355 1.00 0.00 C ATOM 870 CG GLU A 51 -5.770 -2.428 7.480 1.00 0.00 C ATOM 871 CD GLU A 51 -6.825 -3.148 8.322 1.00 0.00 C ATOM 872 OE1 GLU A 51 -7.677 -3.861 7.772 1.00 0.00 O ATOM 873 OE2 GLU A 51 -6.738 -2.947 9.593 1.00 0.00 O ATOM 0 H GLU A 51 -4.812 -1.258 5.218 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.432 -1.348 5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.190 -0.351 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.811 -0.651 8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.722 -2.878 6.488 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.788 -2.555 7.935 1.00 0.00 H new ATOM 881 N PHE A 52 -6.481 1.766 5.619 1.00 0.00 N ATOM 882 CA PHE A 52 -6.951 3.139 5.560 1.00 0.00 C ATOM 883 C PHE A 52 -7.603 3.438 4.208 1.00 0.00 C ATOM 884 O PHE A 52 -7.223 2.861 3.191 1.00 0.00 O ATOM 885 CB PHE A 52 -5.726 4.039 5.732 1.00 0.00 C ATOM 886 CG PHE A 52 -5.432 4.419 7.185 1.00 0.00 C ATOM 887 CD1 PHE A 52 -6.401 4.994 7.947 1.00 0.00 C ATOM 888 CD2 PHE A 52 -4.203 4.181 7.714 1.00 0.00 C ATOM 889 CE1 PHE A 52 -6.128 5.346 9.295 1.00 0.00 C ATOM 890 CE2 PHE A 52 -3.930 4.533 9.063 1.00 0.00 C ATOM 891 CZ PHE A 52 -4.898 5.108 9.825 1.00 0.00 C ATOM 0 H PHE A 52 -5.496 1.642 5.386 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.695 3.311 6.338 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.855 3.533 5.316 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.873 4.950 5.152 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.378 5.183 7.527 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.434 3.724 7.109 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.897 5.803 9.900 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.953 4.344 9.483 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.691 5.376 10.851 1.00 0.00 H new ATOM 901 N GLN A 53 -8.574 4.339 4.242 1.00 0.00 N ATOM 902 CA GLN A 53 -9.282 4.722 3.032 1.00 0.00 C ATOM 903 C GLN A 53 -8.506 5.806 2.283 1.00 0.00 C ATOM 904 O GLN A 53 -7.428 6.213 2.714 1.00 0.00 O ATOM 905 CB GLN A 53 -10.704 5.188 3.353 1.00 0.00 C ATOM 906 CG GLN A 53 -11.245 4.480 4.598 1.00 0.00 C ATOM 907 CD GLN A 53 -12.717 4.105 4.418 1.00 0.00 C ATOM 908 OE1 GLN A 53 -13.168 3.753 3.340 1.00 0.00 O ATOM 909 NE2 GLN A 53 -13.439 4.198 5.531 1.00 0.00 N ATOM 0 H GLN A 53 -8.887 4.815 5.088 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.358 3.847 2.387 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.710 6.266 3.512 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.357 4.987 2.504 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.659 3.582 4.794 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.135 5.129 5.467 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.999 4.499 6.401 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -14.433 3.968 5.515 1.00 0.00 H new ATOM 918 N ASP A 54 -9.083 6.243 1.174 1.00 0.00 N ATOM 919 CA ASP A 54 -8.459 7.273 0.360 1.00 0.00 C ATOM 920 C ASP A 54 -8.163 8.495 1.232 1.00 0.00 C ATOM 921 O ASP A 54 -7.005 8.869 1.410 1.00 0.00 O ATOM 922 CB ASP A 54 -9.384 7.715 -0.775 1.00 0.00 C ATOM 923 CG ASP A 54 -10.561 6.777 -1.052 1.00 0.00 C ATOM 924 OD1 ASP A 54 -10.448 5.825 -1.838 1.00 0.00 O ATOM 925 OD2 ASP A 54 -11.646 7.059 -0.413 1.00 0.00 O ATOM 0 H ASP A 54 -9.977 5.903 0.819 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.543 6.860 -0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.775 8.705 -0.540 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.795 7.813 -1.687 1.00 0.00 H new ATOM 931 N GLN A 55 -9.230 9.085 1.751 1.00 0.00 N ATOM 932 CA GLN A 55 -9.099 10.257 2.599 1.00 0.00 C ATOM 933 C GLN A 55 -8.036 10.019 3.673 1.00 0.00 C ATOM 934 O GLN A 55 -7.060 10.763 3.761 1.00 0.00 O ATOM 935 CB GLN A 55 -10.442 10.630 3.230 1.00 0.00 C ATOM 936 CG GLN A 55 -10.590 12.149 3.347 1.00 0.00 C ATOM 937 CD GLN A 55 -10.858 12.564 4.795 1.00 0.00 C ATOM 938 OE1 GLN A 55 -11.527 11.877 5.550 1.00 0.00 O ATOM 939 NE2 GLN A 55 -10.302 13.722 5.138 1.00 0.00 N ATOM 0 H GLN A 55 -10.189 8.773 1.600 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.780 11.096 1.980 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.256 10.227 2.627 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.522 10.176 4.218 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.683 12.635 2.988 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.407 12.488 2.710 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.754 14.246 4.456 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.423 14.086 6.083 1.00 0.00 H new ATOM 948 N GLU A 56 -8.260 8.979 4.463 1.00 0.00 N ATOM 949 CA GLU A 56 -7.334 8.634 5.527 1.00 0.00 C ATOM 950 C GLU A 56 -5.913 8.508 4.974 1.00 0.00 C ATOM 951 O GLU A 56 -4.982 9.118 5.498 1.00 0.00 O ATOM 952 CB GLU A 56 -7.764 7.346 6.232 1.00 0.00 C ATOM 953 CG GLU A 56 -9.124 7.521 6.911 1.00 0.00 C ATOM 954 CD GLU A 56 -8.963 7.734 8.417 1.00 0.00 C ATOM 955 OE1 GLU A 56 -7.942 8.282 8.860 1.00 0.00 O ATOM 956 OE2 GLU A 56 -9.945 7.307 9.137 1.00 0.00 O ATOM 0 H GLU A 56 -9.070 8.364 4.387 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.346 9.435 6.266 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.816 6.532 5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.016 7.066 6.974 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.646 8.372 6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.741 6.641 6.729 1.00 0.00 H new ATOM 964 N LEU A 57 -5.790 7.712 3.922 1.00 0.00 N ATOM 965 CA LEU A 57 -4.498 7.498 3.292 1.00 0.00 C ATOM 966 C LEU A 57 -3.912 8.846 2.870 1.00 0.00 C ATOM 967 O LEU A 57 -2.831 9.225 3.320 1.00 0.00 O ATOM 968 CB LEU A 57 -4.622 6.494 2.144 1.00 0.00 C ATOM 969 CG LEU A 57 -3.464 6.474 1.144 1.00 0.00 C ATOM 970 CD1 LEU A 57 -2.258 5.727 1.717 1.00 0.00 C ATOM 971 CD2 LEU A 57 -3.911 5.895 -0.200 1.00 0.00 C ATOM 0 H LEU A 57 -6.564 7.207 3.490 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.798 7.053 3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.726 5.496 2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.542 6.706 1.600 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.150 7.502 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.449 5.727 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.924 6.221 2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.541 4.699 1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.070 5.892 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.267 4.875 -0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.716 6.505 -0.609 1.00 0.00 H new ATOM 983 N LEU A 58 -4.650 9.534 2.012 1.00 0.00 N ATOM 984 CA LEU A 58 -4.217 10.832 1.524 1.00 0.00 C ATOM 985 C LEU A 58 -3.759 11.689 2.706 1.00 0.00 C ATOM 986 O LEU A 58 -2.588 12.055 2.795 1.00 0.00 O ATOM 987 CB LEU A 58 -5.317 11.483 0.683 1.00 0.00 C ATOM 988 CG LEU A 58 -4.845 12.308 -0.516 1.00 0.00 C ATOM 989 CD1 LEU A 58 -4.408 11.400 -1.668 1.00 0.00 C ATOM 990 CD2 LEU A 58 -5.917 13.308 -0.950 1.00 0.00 C ATOM 0 H LEU A 58 -5.546 9.217 1.642 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.361 10.722 0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.982 10.699 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.909 12.128 1.332 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.972 12.885 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.077 12.011 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.588 10.763 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.247 10.779 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.556 13.881 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.823 12.771 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.138 13.986 -0.125 1.00 0.00 H new ATOM 1002 N ALA A 59 -4.706 11.984 3.585 1.00 0.00 N ATOM 1003 CA ALA A 59 -4.414 12.791 4.757 1.00 0.00 C ATOM 1004 C ALA A 59 -3.168 12.240 5.453 1.00 0.00 C ATOM 1005 O ALA A 59 -2.258 12.994 5.794 1.00 0.00 O ATOM 1006 CB ALA A 59 -5.635 12.813 5.679 1.00 0.00 C ATOM 0 H ALA A 59 -5.676 11.678 3.509 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.203 13.821 4.470 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.416 13.419 6.558 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.485 13.240 5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.875 11.796 5.989 1.00 0.00 H new ATOM 1012 N LEU A 60 -3.166 10.929 5.642 1.00 0.00 N ATOM 1013 CA LEU A 60 -2.046 10.268 6.291 1.00 0.00 C ATOM 1014 C LEU A 60 -0.747 10.666 5.588 1.00 0.00 C ATOM 1015 O LEU A 60 0.130 11.277 6.197 1.00 0.00 O ATOM 1016 CB LEU A 60 -2.276 8.756 6.347 1.00 0.00 C ATOM 1017 CG LEU A 60 -2.926 8.224 7.626 1.00 0.00 C ATOM 1018 CD1 LEU A 60 -3.602 6.874 7.377 1.00 0.00 C ATOM 1019 CD2 LEU A 60 -1.912 8.155 8.769 1.00 0.00 C ATOM 0 H LEU A 60 -3.922 10.306 5.357 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.961 10.594 7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.901 8.472 5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.316 8.257 6.216 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.705 8.923 7.929 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.056 6.518 8.302 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.373 6.988 6.615 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.859 6.152 7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.400 7.774 9.666 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.094 7.490 8.490 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.518 9.152 8.966 1.00 0.00 H new ATOM 1031 N ILE A 61 -0.665 10.305 4.316 1.00 0.00 N ATOM 1032 CA ILE A 61 0.512 10.618 3.523 1.00 0.00 C ATOM 1033 C ILE A 61 0.845 12.103 3.676 1.00 0.00 C ATOM 1034 O ILE A 61 1.997 12.464 3.909 1.00 0.00 O ATOM 1035 CB ILE A 61 0.312 10.179 2.071 1.00 0.00 C ATOM 1036 CG1 ILE A 61 0.274 8.653 1.960 1.00 0.00 C ATOM 1037 CG2 ILE A 61 1.377 10.794 1.161 1.00 0.00 C ATOM 1038 CD1 ILE A 61 -0.174 8.217 0.564 1.00 0.00 C ATOM 0 H ILE A 61 -1.395 9.799 3.815 1.00 0.00 H new ATOM 0 HA ILE A 61 1.375 10.059 3.885 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.655 10.550 1.731 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.262 8.244 2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.407 8.247 2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.212 10.466 0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.313 11.881 1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.366 10.474 1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.193 7.128 0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.172 8.607 0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.523 8.604 -0.179 1.00 0.00 H new ATOM 1050 N ASN A 62 -0.186 12.925 3.540 1.00 0.00 N ATOM 1051 CA ASN A 62 -0.017 14.363 3.660 1.00 0.00 C ATOM 1052 C ASN A 62 0.542 14.693 5.046 1.00 0.00 C ATOM 1053 O ASN A 62 1.154 15.743 5.239 1.00 0.00 O ATOM 1054 CB ASN A 62 -1.354 15.090 3.505 1.00 0.00 C ATOM 1055 CG ASN A 62 -1.580 15.519 2.054 1.00 0.00 C ATOM 1056 OD1 ASN A 62 -1.040 16.505 1.580 1.00 0.00 O ATOM 1057 ND2 ASN A 62 -2.407 14.727 1.378 1.00 0.00 N ATOM 0 H ASN A 62 -1.141 12.622 3.348 1.00 0.00 H new ATOM 0 HA ASN A 62 0.664 14.689 2.874 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.166 14.437 3.826 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.373 15.966 4.154 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.623 14.929 0.402 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.825 13.917 1.836 1.00 0.00 H new ATOM 1064 N GLY A 63 0.313 13.776 5.975 1.00 0.00 N ATOM 1065 CA GLY A 63 0.786 13.956 7.337 1.00 0.00 C ATOM 1066 C GLY A 63 -0.334 14.469 8.243 1.00 0.00 C ATOM 1067 O GLY A 63 -0.073 15.144 9.238 1.00 0.00 O ATOM 0 H GLY A 63 -0.194 12.906 5.811 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.165 13.009 7.722 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.618 14.660 7.347 1.00 0.00 H new ATOM 1071 N HIS A 64 -1.558 14.128 7.868 1.00 0.00 N ATOM 1072 CA HIS A 64 -2.720 14.545 8.635 1.00 0.00 C ATOM 1073 C HIS A 64 -3.096 13.449 9.634 1.00 0.00 C ATOM 1074 O HIS A 64 -2.730 13.521 10.806 1.00 0.00 O ATOM 1075 CB HIS A 64 -3.876 14.923 7.707 1.00 0.00 C ATOM 1076 CG HIS A 64 -4.306 16.366 7.818 1.00 0.00 C ATOM 1077 ND1 HIS A 64 -4.918 17.048 6.781 1.00 0.00 N ATOM 1078 CD2 HIS A 64 -4.206 17.249 8.853 1.00 0.00 C ATOM 1079 CE1 HIS A 64 -5.170 18.285 7.184 1.00 0.00 C ATOM 1080 NE2 HIS A 64 -4.728 18.407 8.469 1.00 0.00 N ATOM 0 H HIS A 64 -1.771 13.567 7.043 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.480 15.442 9.206 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.583 14.720 6.677 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.730 14.282 7.927 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.775 17.041 9.821 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.642 19.060 6.598 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.789 19.250 9.040 1.00 0.00 H new ATOM 1088 N SER A 65 -3.821 12.460 9.134 1.00 0.00 N ATOM 1089 CA SER A 65 -4.250 11.350 9.968 1.00 0.00 C ATOM 1090 C SER A 65 -3.032 10.582 10.484 1.00 0.00 C ATOM 1091 O SER A 65 -1.950 10.664 9.904 1.00 0.00 O ATOM 1092 CB SER A 65 -5.183 10.412 9.200 1.00 0.00 C ATOM 1093 OG SER A 65 -6.555 10.734 9.410 1.00 0.00 O ATOM 0 H SER A 65 -4.123 12.404 8.161 1.00 0.00 H new ATOM 0 HA SER A 65 -4.803 11.754 10.816 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.957 10.467 8.135 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.000 9.384 9.512 1.00 0.00 H new ATOM 0 HG SER A 65 -7.107 9.942 9.240 1.00 0.00 H new ATOM 1099 N GLU A 66 -3.249 9.851 11.568 1.00 0.00 N ATOM 1100 CA GLU A 66 -2.182 9.069 12.168 1.00 0.00 C ATOM 1101 C GLU A 66 -2.560 7.586 12.192 1.00 0.00 C ATOM 1102 O GLU A 66 -3.678 7.221 11.832 1.00 0.00 O ATOM 1103 CB GLU A 66 -1.856 9.574 13.575 1.00 0.00 C ATOM 1104 CG GLU A 66 -0.851 10.726 13.526 1.00 0.00 C ATOM 1105 CD GLU A 66 -1.138 11.752 14.623 1.00 0.00 C ATOM 1106 OE1 GLU A 66 -1.180 11.396 15.810 1.00 0.00 O ATOM 1107 OE2 GLU A 66 -1.322 12.959 14.205 1.00 0.00 O ATOM 0 H GLU A 66 -4.148 9.784 12.046 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.286 9.186 11.559 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.770 9.905 14.067 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.450 8.758 14.173 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.160 10.336 13.643 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.895 11.210 12.550 1.00 0.00 H new ATOM 1115 N THR A 67 -1.606 6.772 12.618 1.00 0.00 N ATOM 1116 CA THR A 67 -1.825 5.337 12.693 1.00 0.00 C ATOM 1117 C THR A 67 -1.455 4.813 14.082 1.00 0.00 C ATOM 1118 O THR A 67 -0.337 5.023 14.552 1.00 0.00 O ATOM 1119 CB THR A 67 -1.030 4.678 11.564 1.00 0.00 C ATOM 1120 OG1 THR A 67 -1.309 3.288 11.708 1.00 0.00 O ATOM 1121 CG2 THR A 67 0.482 4.778 11.776 1.00 0.00 C ATOM 0 H THR A 67 -0.679 7.078 12.915 1.00 0.00 H new ATOM 0 HA THR A 67 -2.878 5.090 12.556 1.00 0.00 H new ATOM 0 HB THR A 67 -1.295 5.144 10.615 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.509 2.826 12.035 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.998 4.295 10.947 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.774 5.827 11.824 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.752 4.283 12.709 1.00 0.00 H new ATOM 1129 N ASP A 68 -2.415 4.142 14.701 1.00 0.00 N ATOM 1130 CA ASP A 68 -2.204 3.586 16.027 1.00 0.00 C ATOM 1131 C ASP A 68 -1.593 2.189 15.899 1.00 0.00 C ATOM 1132 O ASP A 68 -1.899 1.299 16.690 1.00 0.00 O ATOM 1133 CB ASP A 68 -3.526 3.456 16.786 1.00 0.00 C ATOM 1134 CG ASP A 68 -4.022 4.743 17.448 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -3.321 5.347 18.274 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -5.197 5.128 17.080 1.00 0.00 O ATOM 0 H ASP A 68 -3.341 3.971 14.309 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.539 4.257 16.572 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.291 3.103 16.095 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.413 2.691 17.554 1.00 0.00 H new ATOM 1142 N LYS A 69 -0.740 2.042 14.896 1.00 0.00 N ATOM 1143 CA LYS A 69 -0.083 0.768 14.654 1.00 0.00 C ATOM 1144 C LYS A 69 1.355 1.020 14.196 1.00 0.00 C ATOM 1145 O LYS A 69 1.580 1.631 13.152 1.00 0.00 O ATOM 1146 CB LYS A 69 -0.900 -0.079 13.677 1.00 0.00 C ATOM 1147 CG LYS A 69 -2.329 -0.277 14.185 1.00 0.00 C ATOM 1148 CD LYS A 69 -3.019 -1.427 13.448 1.00 0.00 C ATOM 1149 CE LYS A 69 -4.142 -2.026 14.297 1.00 0.00 C ATOM 1150 NZ LYS A 69 -3.582 -2.869 15.377 1.00 0.00 N ATOM 0 H LYS A 69 -0.489 2.783 14.242 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.028 0.187 15.574 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.921 0.405 12.701 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.421 -1.049 13.542 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.313 -0.484 15.255 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.899 0.642 14.047 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.425 -1.066 12.503 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.289 -2.199 13.207 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.746 -1.227 14.727 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.803 -2.622 13.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.335 -3.463 15.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.832 -3.476 14.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.185 -2.261 16.122 1.00 0.00 H new ATOM 1163 N GLY A 70 2.292 0.538 15.000 1.00 0.00 N ATOM 1164 CA GLY A 70 3.702 0.703 14.690 1.00 0.00 C ATOM 1165 C GLY A 70 4.150 -0.299 13.624 1.00 0.00 C ATOM 1166 O GLY A 70 5.334 -0.379 13.301 1.00 0.00 O ATOM 0 H GLY A 70 2.102 0.033 15.866 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.884 1.719 14.339 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.295 0.567 15.594 1.00 0.00 H new ATOM 1170 N HIS A 71 3.179 -1.038 13.107 1.00 0.00 N ATOM 1171 CA HIS A 71 3.459 -2.031 12.084 1.00 0.00 C ATOM 1172 C HIS A 71 3.534 -1.351 10.715 1.00 0.00 C ATOM 1173 O HIS A 71 4.204 -1.844 9.809 1.00 0.00 O ATOM 1174 CB HIS A 71 2.430 -3.162 12.128 1.00 0.00 C ATOM 1175 CG HIS A 71 2.716 -4.212 13.175 1.00 0.00 C ATOM 1176 ND1 HIS A 71 1.895 -4.423 14.269 1.00 0.00 N ATOM 1177 CD2 HIS A 71 3.739 -5.107 13.283 1.00 0.00 C ATOM 1178 CE1 HIS A 71 2.411 -5.403 14.996 1.00 0.00 C ATOM 1179 NE2 HIS A 71 3.554 -5.826 14.384 1.00 0.00 N ATOM 0 H HIS A 71 2.198 -0.969 13.377 1.00 0.00 H new ATOM 0 HA HIS A 71 4.428 -2.492 12.276 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.444 -2.736 12.315 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.389 -3.641 11.150 1.00 0.00 H new ATOM 0 HD2 HIS A 71 4.561 -5.213 12.590 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.999 -5.798 15.913 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.166 -6.571 14.717 1.00 0.00 H new ATOM 1187 N LEU A 72 2.837 -0.230 10.608 1.00 0.00 N ATOM 1188 CA LEU A 72 2.816 0.523 9.365 1.00 0.00 C ATOM 1189 C LEU A 72 3.889 1.612 9.416 1.00 0.00 C ATOM 1190 O LEU A 72 4.406 2.027 8.380 1.00 0.00 O ATOM 1191 CB LEU A 72 1.409 1.057 9.086 1.00 0.00 C ATOM 1192 CG LEU A 72 0.257 0.089 9.361 1.00 0.00 C ATOM 1193 CD1 LEU A 72 -1.053 0.846 9.588 1.00 0.00 C ATOM 1194 CD2 LEU A 72 0.134 -0.947 8.242 1.00 0.00 C ATOM 0 H LEU A 72 2.282 0.176 11.362 1.00 0.00 H new ATOM 0 HA LEU A 72 3.059 -0.125 8.522 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.256 1.953 9.688 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.359 1.363 8.041 1.00 0.00 H new ATOM 0 HG LEU A 72 0.478 -0.454 10.280 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.856 0.134 9.781 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.945 1.512 10.444 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.293 1.432 8.701 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.692 -1.623 8.461 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.054 -0.440 7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.060 -1.517 8.171 1.00 0.00 H new ATOM 1206 N ILE A 73 4.191 2.045 10.631 1.00 0.00 N ATOM 1207 CA ILE A 73 5.193 3.078 10.830 1.00 0.00 C ATOM 1208 C ILE A 73 6.350 2.855 9.853 1.00 0.00 C ATOM 1209 O ILE A 73 6.764 3.780 9.155 1.00 0.00 O ATOM 1210 CB ILE A 73 5.628 3.127 12.296 1.00 0.00 C ATOM 1211 CG1 ILE A 73 4.776 4.122 13.087 1.00 0.00 C ATOM 1212 CG2 ILE A 73 7.123 3.432 12.415 1.00 0.00 C ATOM 1213 CD1 ILE A 73 5.535 4.644 14.309 1.00 0.00 C ATOM 0 H ILE A 73 3.759 1.699 11.488 1.00 0.00 H new ATOM 0 HA ILE A 73 4.775 4.061 10.612 1.00 0.00 H new ATOM 0 HB ILE A 73 5.464 2.142 12.734 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.495 4.957 12.445 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.852 3.641 13.407 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.406 3.461 13.467 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.694 2.655 11.907 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.335 4.397 11.955 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.907 5.349 14.853 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.793 3.809 14.961 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.447 5.146 13.984 1.00 0.00 H new ATOM 1225 N PRO A 74 6.851 1.591 9.833 1.00 0.00 N ATOM 1226 CA PRO A 74 7.951 1.236 8.954 1.00 0.00 C ATOM 1227 C PRO A 74 7.475 1.106 7.505 1.00 0.00 C ATOM 1228 O PRO A 74 8.223 1.399 6.574 1.00 0.00 O ATOM 1229 CB PRO A 74 8.501 -0.065 9.517 1.00 0.00 C ATOM 1230 CG PRO A 74 7.405 -0.630 10.406 1.00 0.00 C ATOM 1231 CD PRO A 74 6.385 0.471 10.646 1.00 0.00 C ATOM 0 HA PRO A 74 8.727 2.001 8.922 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.753 -0.761 8.717 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.414 0.111 10.086 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.933 -1.490 9.931 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.822 -0.977 11.352 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.385 0.156 10.350 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.335 0.741 11.701 1.00 0.00 H new ATOM 1239 N MET A 75 6.233 0.668 7.361 1.00 0.00 N ATOM 1240 CA MET A 75 5.649 0.496 6.042 1.00 0.00 C ATOM 1241 C MET A 75 5.403 1.849 5.371 1.00 0.00 C ATOM 1242 O MET A 75 5.832 2.072 4.239 1.00 0.00 O ATOM 1243 CB MET A 75 4.325 -0.260 6.165 1.00 0.00 C ATOM 1244 CG MET A 75 4.517 -1.585 6.906 1.00 0.00 C ATOM 1245 SD MET A 75 2.934 -2.355 7.200 1.00 0.00 S ATOM 1246 CE MET A 75 3.462 -3.838 8.041 1.00 0.00 C ATOM 0 H MET A 75 5.615 0.427 8.136 1.00 0.00 H new ATOM 0 HA MET A 75 6.347 -0.072 5.427 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.599 0.356 6.696 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.917 -0.450 5.172 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.151 -2.250 6.320 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.027 -1.411 7.853 1.00 0.00 H new ATOM 0 HE1 MET A 75 3.235 -4.707 7.423 1.00 0.00 H new ATOM 0 HE2 MET A 75 4.536 -3.791 8.221 1.00 0.00 H new ATOM 0 HE3 MET A 75 2.938 -3.923 8.993 1.00 0.00 H new ATOM 1256 N LEU A 76 4.715 2.718 6.096 1.00 0.00 N ATOM 1257 CA LEU A 76 4.407 4.043 5.585 1.00 0.00 C ATOM 1258 C LEU A 76 5.650 4.625 4.909 1.00 0.00 C ATOM 1259 O LEU A 76 5.539 5.398 3.959 1.00 0.00 O ATOM 1260 CB LEU A 76 3.841 4.928 6.697 1.00 0.00 C ATOM 1261 CG LEU A 76 2.381 5.356 6.536 1.00 0.00 C ATOM 1262 CD1 LEU A 76 1.966 6.322 7.648 1.00 0.00 C ATOM 1263 CD2 LEU A 76 2.131 5.942 5.145 1.00 0.00 C ATOM 0 H LEU A 76 4.362 2.530 7.034 1.00 0.00 H new ATOM 0 HA LEU A 76 3.627 3.987 4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.941 4.397 7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.456 5.825 6.769 1.00 0.00 H new ATOM 0 HG LEU A 76 1.754 4.469 6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.924 6.610 7.509 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.082 5.834 8.616 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.596 7.211 7.612 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.086 6.238 5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.769 6.814 4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.360 5.192 4.388 1.00 0.00 H new ATOM 1275 N GLU A 77 6.805 4.231 5.425 1.00 0.00 N ATOM 1276 CA GLU A 77 8.067 4.704 4.883 1.00 0.00 C ATOM 1277 C GLU A 77 8.308 4.103 3.497 1.00 0.00 C ATOM 1278 O GLU A 77 8.751 4.797 2.584 1.00 0.00 O ATOM 1279 CB GLU A 77 9.225 4.381 5.829 1.00 0.00 C ATOM 1280 CG GLU A 77 9.648 5.620 6.621 1.00 0.00 C ATOM 1281 CD GLU A 77 10.652 6.460 5.829 1.00 0.00 C ATOM 1282 OE1 GLU A 77 11.641 5.920 5.312 1.00 0.00 O ATOM 1283 OE2 GLU A 77 10.376 7.718 5.760 1.00 0.00 O ATOM 0 H GLU A 77 6.893 3.589 6.213 1.00 0.00 H new ATOM 0 HA GLU A 77 8.014 5.788 4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.927 3.589 6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.073 4.004 5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.771 6.222 6.857 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.091 5.316 7.570 1.00 0.00 H new ATOM 1291 N LYS A 78 8.004 2.818 3.383 1.00 0.00 N ATOM 1292 CA LYS A 78 8.182 2.116 2.123 1.00 0.00 C ATOM 1293 C LYS A 78 7.225 2.697 1.081 1.00 0.00 C ATOM 1294 O LYS A 78 7.529 2.703 -0.111 1.00 0.00 O ATOM 1295 CB LYS A 78 8.030 0.607 2.325 1.00 0.00 C ATOM 1296 CG LYS A 78 6.557 0.218 2.466 1.00 0.00 C ATOM 1297 CD LYS A 78 6.186 -0.893 1.482 1.00 0.00 C ATOM 1298 CE LYS A 78 5.050 -1.757 2.033 1.00 0.00 C ATOM 1299 NZ LYS A 78 4.323 -2.423 0.929 1.00 0.00 N ATOM 0 H LYS A 78 7.636 2.245 4.142 1.00 0.00 H new ATOM 0 HA LYS A 78 9.193 2.263 1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.470 0.077 1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.578 0.299 3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.361 -0.114 3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.928 1.091 2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.886 -0.455 0.530 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.059 -1.516 1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.453 -2.506 2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.361 -1.139 2.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.458 -2.866 1.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.069 -1.719 0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.930 -3.152 0.504 1.00 0.00 H new ATOM 1312 N ILE A 79 6.087 3.170 1.568 1.00 0.00 N ATOM 1313 CA ILE A 79 5.083 3.752 0.693 1.00 0.00 C ATOM 1314 C ILE A 79 5.682 4.959 -0.031 1.00 0.00 C ATOM 1315 O ILE A 79 5.760 4.975 -1.258 1.00 0.00 O ATOM 1316 CB ILE A 79 3.810 4.074 1.479 1.00 0.00 C ATOM 1317 CG1 ILE A 79 3.426 2.915 2.401 1.00 0.00 C ATOM 1318 CG2 ILE A 79 2.668 4.460 0.537 1.00 0.00 C ATOM 1319 CD1 ILE A 79 3.450 1.584 1.647 1.00 0.00 C ATOM 0 H ILE A 79 5.838 3.162 2.557 1.00 0.00 H new ATOM 0 HA ILE A 79 4.784 3.037 -0.074 1.00 0.00 H new ATOM 0 HB ILE A 79 4.010 4.937 2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.116 2.872 3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.431 3.087 2.812 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.775 4.684 1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.954 5.339 -0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.460 3.632 -0.141 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.173 0.777 2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.741 1.622 0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.452 1.404 1.258 1.00 0.00 H new ATOM 1331 N ARG A 80 6.088 5.941 0.760 1.00 0.00 N ATOM 1332 CA ARG A 80 6.677 7.150 0.210 1.00 0.00 C ATOM 1333 C ARG A 80 7.621 6.804 -0.943 1.00 0.00 C ATOM 1334 O ARG A 80 7.596 7.453 -1.987 1.00 0.00 O ATOM 1335 CB ARG A 80 7.452 7.922 1.280 1.00 0.00 C ATOM 1336 CG ARG A 80 6.788 9.269 1.573 1.00 0.00 C ATOM 1337 CD ARG A 80 5.670 9.116 2.607 1.00 0.00 C ATOM 1338 NE ARG A 80 6.246 8.796 3.932 1.00 0.00 N ATOM 1339 CZ ARG A 80 5.540 8.784 5.082 1.00 0.00 C ATOM 1340 NH1 ARG A 80 4.222 9.076 5.079 1.00 0.00 N ATOM 1341 NH2 ARG A 80 6.157 8.484 6.209 1.00 0.00 N ATOM 0 H ARG A 80 6.021 5.924 1.778 1.00 0.00 H new ATOM 0 HA ARG A 80 5.864 7.777 -0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.503 7.331 2.195 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.477 8.083 0.947 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.534 9.974 1.940 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.382 9.686 0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.090 10.037 2.666 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.984 8.327 2.299 1.00 0.00 H new ATOM 0 HE ARG A 80 7.240 8.570 3.979 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.753 9.308 4.203 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.695 9.065 5.952 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.153 8.266 6.202 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.638 8.471 7.087 1.00 0.00 H new ATOM 1354 N ARG A 81 8.432 5.780 -0.714 1.00 0.00 N ATOM 1355 CA ARG A 81 9.382 5.340 -1.721 1.00 0.00 C ATOM 1356 C ARG A 81 8.699 5.232 -3.086 1.00 0.00 C ATOM 1357 O ARG A 81 9.097 5.902 -4.037 1.00 0.00 O ATOM 1358 CB ARG A 81 9.985 3.983 -1.352 1.00 0.00 C ATOM 1359 CG ARG A 81 11.459 3.909 -1.757 1.00 0.00 C ATOM 1360 CD ARG A 81 11.758 2.608 -2.505 1.00 0.00 C ATOM 1361 NE ARG A 81 13.217 2.365 -2.534 1.00 0.00 N ATOM 1362 CZ ARG A 81 13.834 1.570 -3.434 1.00 0.00 C ATOM 1363 NH1 ARG A 81 13.122 0.932 -4.387 1.00 0.00 N ATOM 1364 NH2 ARG A 81 15.144 1.424 -3.367 1.00 0.00 N ATOM 0 H ARG A 81 8.450 5.244 0.153 1.00 0.00 H new ATOM 0 HA ARG A 81 10.181 6.080 -1.769 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.891 3.819 -0.279 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.428 3.187 -1.846 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.709 4.761 -2.388 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.088 3.975 -0.869 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.252 1.774 -2.018 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.370 2.666 -3.522 1.00 0.00 H new ATOM 0 HE ARG A 81 13.793 2.827 -1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.110 1.049 -4.431 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.596 0.333 -5.063 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.675 1.908 -2.643 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.626 0.827 -4.039 1.00 0.00 H new ATOM 1377 N ALA A 82 7.682 4.384 -3.138 1.00 0.00 N ATOM 1378 CA ALA A 82 6.940 4.181 -4.370 1.00 0.00 C ATOM 1379 C ALA A 82 6.314 5.506 -4.808 1.00 0.00 C ATOM 1380 O ALA A 82 6.422 5.893 -5.971 1.00 0.00 O ATOM 1381 CB ALA A 82 5.894 3.083 -4.161 1.00 0.00 C ATOM 0 H ALA A 82 7.355 3.830 -2.347 1.00 0.00 H new ATOM 0 HA ALA A 82 7.605 3.851 -5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.337 2.930 -5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.392 2.155 -3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.207 3.381 -3.369 1.00 0.00 H new TER 1387 ALA A 82