USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 513 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 53 GLN : amide:sc= -0.15 K(o=0.9,f=-0.21) USER MOD Set 1.2: A 73 TYR OH : rot -129:sc= 1.05 USER MOD Set 2.1: A 46 SER OG : rot -56:sc= 0.0119 USER MOD Set 2.2: A 48 SER OG : rot 180:sc= 0.0103 USER MOD Set 3.1: A 5 MET CE :methyl 172:sc= -4.2! (180deg=-4.63!) USER MOD Set 3.2: A 9 SER OG : rot -60:sc= 0.8 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= -0.0939 (180deg=-0.912) USER MOD Single : A 8 SER OG : rot 180:sc= -0.601 USER MOD Single : A 13 ASN : amide:sc= -1.61! C(o=-1.6!,f=-6!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -8.43! C(o=-8.4!,f=-9.4!) USER MOD Single : A 37 TYR OH : rot -68:sc= -2.84! USER MOD Single : A 39 ASN :FLIP amide:sc= -2.64! C(o=-5.1!,f=-2.6!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -63:sc= 1.09 USER MOD Single : A 52 CYS SG : rot -9:sc= 0.98 USER MOD Single : A 54 THR OG1 : rot -69:sc= -0.0319 USER MOD Single : A 64 SER OG : rot 180:sc=0.000411 USER MOD Single : A 72 MET CE :methyl -156:sc= -0.112 (180deg=-0.282) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.917 17.912 -11.345 1.00 0.00 N ATOM 2 CA MET A 1 3.236 17.720 -9.941 1.00 0.00 C ATOM 3 C MET A 1 3.758 16.304 -9.685 1.00 0.00 C ATOM 4 O MET A 1 2.995 15.341 -9.724 1.00 0.00 O ATOM 5 CB MET A 1 1.985 17.963 -9.095 1.00 0.00 C ATOM 6 CG MET A 1 1.536 19.423 -9.187 1.00 0.00 C ATOM 7 SD MET A 1 2.481 20.425 -8.052 1.00 0.00 S ATOM 8 CE MET A 1 1.358 21.797 -7.843 1.00 0.00 C ATOM 0 H1 MET A 1 3.011 18.919 -11.588 1.00 0.00 H new ATOM 0 H2 MET A 1 3.570 17.352 -11.929 1.00 0.00 H new ATOM 0 H3 MET A 1 1.940 17.603 -11.525 1.00 0.00 H new ATOM 0 HA MET A 1 4.016 18.430 -9.665 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.181 17.309 -9.433 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.189 17.706 -8.055 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.668 19.789 -10.205 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.474 19.501 -8.956 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.795 22.524 -7.158 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.178 22.270 -8.808 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.414 21.436 -7.435 1.00 0.00 H new ATOM 16 N PHE A 2 5.056 16.223 -9.431 1.00 0.00 N ATOM 17 CA PHE A 2 5.689 14.942 -9.169 1.00 0.00 C ATOM 18 C PHE A 2 5.403 13.949 -10.298 1.00 0.00 C ATOM 19 O PHE A 2 4.543 14.193 -11.143 1.00 0.00 O ATOM 20 CB PHE A 2 5.089 14.404 -7.869 1.00 0.00 C ATOM 21 CG PHE A 2 4.692 15.492 -6.870 1.00 0.00 C ATOM 22 CD1 PHE A 2 5.609 15.971 -5.986 1.00 0.00 C ATOM 23 CD2 PHE A 2 3.423 15.980 -6.865 1.00 0.00 C ATOM 24 CE1 PHE A 2 5.241 16.980 -5.058 1.00 0.00 C ATOM 25 CE2 PHE A 2 3.055 16.991 -5.937 1.00 0.00 C ATOM 26 CZ PHE A 2 3.971 17.470 -5.053 1.00 0.00 C ATOM 0 H PHE A 2 5.687 17.024 -9.401 1.00 0.00 H new ATOM 0 HA PHE A 2 6.769 15.068 -9.097 1.00 0.00 H new ATOM 0 HB2 PHE A 2 4.210 13.805 -8.107 1.00 0.00 H new ATOM 0 HB3 PHE A 2 5.810 13.737 -7.397 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.617 15.583 -5.991 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.695 15.599 -7.566 1.00 0.00 H new ATOM 0 HE1 PHE A 2 5.969 17.359 -4.356 1.00 0.00 H new ATOM 0 HE2 PHE A 2 2.047 17.379 -5.934 1.00 0.00 H new ATOM 0 HZ PHE A 2 3.691 18.238 -4.348 1.00 0.00 H new ATOM 35 N PRO A 3 6.162 12.820 -10.276 1.00 0.00 N ATOM 36 CA PRO A 3 5.999 11.790 -11.288 1.00 0.00 C ATOM 37 C PRO A 3 4.724 10.980 -11.044 1.00 0.00 C ATOM 38 O PRO A 3 3.677 11.543 -10.729 1.00 0.00 O ATOM 39 CB PRO A 3 7.263 10.950 -11.200 1.00 0.00 C ATOM 40 CG PRO A 3 7.872 11.253 -9.841 1.00 0.00 C ATOM 41 CD PRO A 3 7.190 12.496 -9.292 1.00 0.00 C ATOM 0 HA PRO A 3 5.878 12.199 -12.291 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.034 9.889 -11.297 1.00 0.00 H new ATOM 0 HB3 PRO A 3 7.956 11.202 -12.003 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.733 10.410 -9.164 1.00 0.00 H new ATOM 0 HG3 PRO A 3 8.946 11.415 -9.931 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.754 12.308 -8.311 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.898 13.317 -9.174 1.00 0.00 H new ATOM 46 N ALA A 4 4.855 9.670 -11.200 1.00 0.00 N ATOM 47 CA ALA A 4 3.726 8.776 -11.001 1.00 0.00 C ATOM 48 C ALA A 4 2.673 9.476 -10.139 1.00 0.00 C ATOM 49 O ALA A 4 1.500 9.528 -10.506 1.00 0.00 O ATOM 50 CB ALA A 4 4.214 7.468 -10.377 1.00 0.00 C ATOM 0 H ALA A 4 5.725 9.207 -11.462 1.00 0.00 H new ATOM 0 HA ALA A 4 3.260 8.528 -11.955 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.367 6.798 -10.228 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.938 6.996 -11.041 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.685 7.677 -9.416 1.00 0.00 H new ATOM 56 N MET A 5 3.129 9.998 -9.010 1.00 0.00 N ATOM 57 CA MET A 5 2.242 10.692 -8.093 1.00 0.00 C ATOM 58 C MET A 5 1.502 11.829 -8.801 1.00 0.00 C ATOM 59 O MET A 5 2.127 12.764 -9.301 1.00 0.00 O ATOM 60 CB MET A 5 3.053 11.258 -6.927 1.00 0.00 C ATOM 61 CG MET A 5 2.134 11.841 -5.851 1.00 0.00 C ATOM 62 SD MET A 5 1.790 13.557 -6.206 1.00 0.00 S ATOM 63 CE MET A 5 1.825 14.228 -4.553 1.00 0.00 C ATOM 0 H MET A 5 4.103 9.954 -8.709 1.00 0.00 H new ATOM 0 HA MET A 5 1.505 9.980 -7.722 1.00 0.00 H new ATOM 0 HB2 MET A 5 3.672 10.472 -6.495 1.00 0.00 H new ATOM 0 HB3 MET A 5 3.729 12.032 -7.291 1.00 0.00 H new ATOM 0 HG2 MET A 5 1.203 11.276 -5.811 1.00 0.00 H new ATOM 0 HG3 MET A 5 2.604 11.751 -4.872 1.00 0.00 H new ATOM 0 HE1 MET A 5 1.770 15.316 -4.601 1.00 0.00 H new ATOM 0 HE2 MET A 5 0.975 13.846 -3.987 1.00 0.00 H new ATOM 0 HE3 MET A 5 2.751 13.933 -4.060 1.00 0.00 H new ATOM 71 N PRO A 6 0.148 11.709 -8.822 1.00 0.00 N ATOM 72 CA PRO A 6 -0.683 12.716 -9.461 1.00 0.00 C ATOM 73 C PRO A 6 -0.773 13.978 -8.601 1.00 0.00 C ATOM 74 O PRO A 6 0.047 14.885 -8.736 1.00 0.00 O ATOM 75 CB PRO A 6 -2.029 12.042 -9.669 1.00 0.00 C ATOM 76 CG PRO A 6 -2.047 10.849 -8.727 1.00 0.00 C ATOM 77 CD PRO A 6 -0.626 10.616 -8.241 1.00 0.00 C ATOM 0 HA PRO A 6 -0.273 13.058 -10.411 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.847 12.727 -9.447 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.151 11.724 -10.704 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -2.712 11.038 -7.884 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.425 9.964 -9.239 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -0.573 10.628 -7.152 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.250 9.647 -8.568 1.00 0.00 H new ATOM 82 N LEU A 7 -1.778 13.996 -7.737 1.00 0.00 N ATOM 83 CA LEU A 7 -1.985 15.132 -6.855 1.00 0.00 C ATOM 84 C LEU A 7 -2.856 14.701 -5.673 1.00 0.00 C ATOM 85 O LEU A 7 -3.919 15.276 -5.438 1.00 0.00 O ATOM 86 CB LEU A 7 -2.552 16.319 -7.636 1.00 0.00 C ATOM 87 CG LEU A 7 -4.025 16.217 -8.035 1.00 0.00 C ATOM 88 CD1 LEU A 7 -4.816 17.425 -7.529 1.00 0.00 C ATOM 89 CD2 LEU A 7 -4.172 16.031 -9.547 1.00 0.00 C ATOM 0 H LEU A 7 -2.457 13.243 -7.629 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.035 15.475 -6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.420 17.219 -7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.959 16.449 -8.541 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.446 15.332 -7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.860 17.327 -7.827 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.751 17.473 -6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.401 18.337 -7.958 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.229 15.961 -9.804 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.728 16.882 -10.063 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.663 15.117 -9.852 1.00 0.00 H new ATOM 100 N SER A 8 -2.374 13.695 -4.959 1.00 0.00 N ATOM 101 CA SER A 8 -3.095 13.181 -3.807 1.00 0.00 C ATOM 102 C SER A 8 -2.155 12.352 -2.930 1.00 0.00 C ATOM 103 O SER A 8 -2.441 11.195 -2.627 1.00 0.00 O ATOM 104 CB SER A 8 -4.297 12.339 -4.241 1.00 0.00 C ATOM 105 OG SER A 8 -4.627 12.546 -5.611 1.00 0.00 O ATOM 0 H SER A 8 -1.492 13.222 -5.156 1.00 0.00 H new ATOM 0 HA SER A 8 -3.468 14.027 -3.230 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.079 11.284 -4.076 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.157 12.588 -3.619 1.00 0.00 H new ATOM 0 HG SER A 8 -5.398 11.990 -5.849 1.00 0.00 H new ATOM 110 N SER A 9 -1.052 12.977 -2.544 1.00 0.00 N ATOM 111 CA SER A 9 -0.068 12.312 -1.707 1.00 0.00 C ATOM 112 C SER A 9 0.515 13.302 -0.696 1.00 0.00 C ATOM 113 O SER A 9 1.431 14.056 -1.018 1.00 0.00 O ATOM 114 CB SER A 9 1.049 11.697 -2.552 1.00 0.00 C ATOM 115 OG SER A 9 2.341 12.030 -2.053 1.00 0.00 O ATOM 0 H SER A 9 -0.818 13.937 -2.796 1.00 0.00 H new ATOM 0 HA SER A 9 -0.566 11.505 -1.170 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.935 10.613 -2.569 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.958 12.044 -3.581 1.00 0.00 H new ATOM 0 HG SER A 9 2.455 13.003 -2.064 1.00 0.00 H new ATOM 120 N LEU A 10 -0.042 13.268 0.506 1.00 0.00 N ATOM 121 CA LEU A 10 0.410 14.153 1.565 1.00 0.00 C ATOM 122 C LEU A 10 -0.489 15.390 1.610 1.00 0.00 C ATOM 123 O LEU A 10 -0.085 16.439 2.111 1.00 0.00 O ATOM 124 CB LEU A 10 1.895 14.478 1.393 1.00 0.00 C ATOM 125 CG LEU A 10 2.647 14.871 2.667 1.00 0.00 C ATOM 126 CD1 LEU A 10 3.401 13.673 3.249 1.00 0.00 C ATOM 127 CD2 LEU A 10 3.574 16.062 2.411 1.00 0.00 C ATOM 0 H LEU A 10 -0.802 12.641 0.769 1.00 0.00 H new ATOM 0 HA LEU A 10 0.324 13.662 2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.389 13.610 0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.988 15.292 0.674 1.00 0.00 H new ATOM 0 HG LEU A 10 1.917 15.186 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.927 13.979 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.693 12.880 3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.121 13.306 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.096 16.321 3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.301 15.798 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.985 16.916 2.075 1.00 0.00 H new ATOM 138 N PHE A 11 -1.693 15.227 1.081 1.00 0.00 N ATOM 139 CA PHE A 11 -2.653 16.317 1.054 1.00 0.00 C ATOM 140 C PHE A 11 -3.939 15.897 0.338 1.00 0.00 C ATOM 141 O PHE A 11 -4.549 16.697 -0.369 1.00 0.00 O ATOM 142 CB PHE A 11 -2.004 17.466 0.278 1.00 0.00 C ATOM 143 CG PHE A 11 -2.466 18.855 0.722 1.00 0.00 C ATOM 144 CD1 PHE A 11 -2.185 19.296 1.978 1.00 0.00 C ATOM 145 CD2 PHE A 11 -3.158 19.649 -0.139 1.00 0.00 C ATOM 146 CE1 PHE A 11 -2.613 20.586 2.389 1.00 0.00 C ATOM 147 CE2 PHE A 11 -3.587 20.938 0.273 1.00 0.00 C ATOM 148 CZ PHE A 11 -3.305 21.379 1.528 1.00 0.00 C ATOM 0 H PHE A 11 -2.025 14.356 0.668 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.913 16.609 2.071 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.922 17.401 0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.222 17.343 -0.783 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.637 18.665 2.662 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.381 19.299 -1.136 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.389 20.937 3.385 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.137 21.568 -0.410 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.631 22.360 1.841 1.00 0.00 H new ATOM 157 N VAL A 12 -4.313 14.644 0.550 1.00 0.00 N ATOM 158 CA VAL A 12 -5.515 14.108 -0.066 1.00 0.00 C ATOM 159 C VAL A 12 -6.713 14.976 0.325 1.00 0.00 C ATOM 160 O VAL A 12 -6.666 16.199 0.196 1.00 0.00 O ATOM 161 CB VAL A 12 -5.691 12.638 0.321 1.00 0.00 C ATOM 162 CG1 VAL A 12 -6.026 12.499 1.807 1.00 0.00 C ATOM 163 CG2 VAL A 12 -6.758 11.967 -0.546 1.00 0.00 C ATOM 0 H VAL A 12 -3.805 13.985 1.140 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.433 14.137 -1.153 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.744 12.129 0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.146 11.445 2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.218 12.923 2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.953 13.030 2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.863 10.923 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.711 12.480 -0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.461 12.019 -1.594 1.00 0.00 H new ATOM 173 N ASN A 13 -7.758 14.312 0.796 1.00 0.00 N ATOM 174 CA ASN A 13 -8.965 15.007 1.206 1.00 0.00 C ATOM 175 C ASN A 13 -8.583 16.300 1.929 1.00 0.00 C ATOM 176 O ASN A 13 -9.366 17.248 1.969 1.00 0.00 O ATOM 177 CB ASN A 13 -9.793 14.154 2.170 1.00 0.00 C ATOM 178 CG ASN A 13 -10.040 12.758 1.592 1.00 0.00 C ATOM 179 OD1 ASN A 13 -9.679 12.450 0.468 1.00 0.00 O ATOM 180 ND2 ASN A 13 -10.674 11.934 2.422 1.00 0.00 N ATOM 0 H ASN A 13 -7.793 13.298 0.903 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.553 15.215 0.312 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -9.274 14.070 3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -10.746 14.644 2.368 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.886 10.980 2.130 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.948 12.256 3.350 1.00 0.00 H new ATOM 186 N GLY A 14 -7.379 16.298 2.482 1.00 0.00 N ATOM 187 CA GLY A 14 -6.883 17.459 3.201 1.00 0.00 C ATOM 188 C GLY A 14 -5.459 17.223 3.708 1.00 0.00 C ATOM 189 O GLY A 14 -4.724 16.411 3.149 1.00 0.00 O ATOM 0 H GLY A 14 -6.732 15.510 2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.900 18.331 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.541 17.679 4.042 1.00 0.00 H new ATOM 193 N PRO A 15 -5.103 17.967 4.789 1.00 0.00 N ATOM 194 CA PRO A 15 -3.780 17.847 5.378 1.00 0.00 C ATOM 195 C PRO A 15 -3.654 16.553 6.183 1.00 0.00 C ATOM 196 O PRO A 15 -4.432 15.619 5.991 1.00 0.00 O ATOM 197 CB PRO A 15 -3.614 19.095 6.229 1.00 0.00 C ATOM 198 CG PRO A 15 -5.017 19.636 6.457 1.00 0.00 C ATOM 199 CD PRO A 15 -5.949 18.939 5.478 1.00 0.00 C ATOM 0 HA PRO A 15 -2.990 17.784 4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.128 18.860 7.176 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.989 19.831 5.724 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.335 19.453 7.483 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -5.040 20.715 6.304 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.774 18.449 5.996 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.389 19.648 4.777 1.00 0.00 H new ATOM 204 N ARG A 16 -2.669 16.539 7.070 1.00 0.00 N ATOM 205 CA ARG A 16 -2.430 15.374 7.906 1.00 0.00 C ATOM 206 C ARG A 16 -3.551 15.223 8.937 1.00 0.00 C ATOM 207 O ARG A 16 -3.542 14.288 9.736 1.00 0.00 O ATOM 208 CB ARG A 16 -1.089 15.483 8.631 1.00 0.00 C ATOM 209 CG ARG A 16 -1.223 16.310 9.912 1.00 0.00 C ATOM 210 CD ARG A 16 -1.770 17.705 9.608 1.00 0.00 C ATOM 211 NE ARG A 16 -0.809 18.454 8.768 1.00 0.00 N ATOM 212 CZ ARG A 16 -0.949 19.745 8.435 1.00 0.00 C ATOM 213 NH1 ARG A 16 -2.010 20.437 8.869 1.00 0.00 N ATOM 214 NH2 ARG A 16 -0.026 20.343 7.669 1.00 0.00 N ATOM 0 H ARG A 16 -2.027 17.316 7.228 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.408 14.498 7.258 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.721 14.486 8.874 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.352 15.943 7.973 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.886 15.800 10.611 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.251 16.394 10.398 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.728 17.625 9.095 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.950 18.244 10.538 1.00 0.00 H new ATOM 0 HE ARG A 16 0.011 17.957 8.421 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.712 19.982 9.453 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.117 21.419 8.616 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.783 19.816 7.340 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.132 21.325 7.415 1.00 0.00 H new ATOM 225 N THR A 17 -4.487 16.159 8.887 1.00 0.00 N ATOM 226 CA THR A 17 -5.612 16.142 9.807 1.00 0.00 C ATOM 227 C THR A 17 -6.852 15.561 9.125 1.00 0.00 C ATOM 228 O THR A 17 -7.762 15.073 9.793 1.00 0.00 O ATOM 229 CB THR A 17 -5.816 17.565 10.330 1.00 0.00 C ATOM 230 OG1 THR A 17 -4.714 17.775 11.208 1.00 0.00 O ATOM 231 CG2 THR A 17 -7.043 17.685 11.238 1.00 0.00 C ATOM 0 H THR A 17 -4.490 16.934 8.224 1.00 0.00 H new ATOM 0 HA THR A 17 -5.416 15.492 10.659 1.00 0.00 H new ATOM 0 HB THR A 17 -5.919 18.249 9.488 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.767 18.676 11.590 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.142 18.715 11.582 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.936 17.401 10.682 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.925 17.025 12.098 1.00 0.00 H new ATOM 239 N LEU A 18 -6.847 15.633 7.802 1.00 0.00 N ATOM 240 CA LEU A 18 -7.961 15.121 7.021 1.00 0.00 C ATOM 241 C LEU A 18 -7.855 13.597 6.928 1.00 0.00 C ATOM 242 O LEU A 18 -8.334 12.884 7.808 1.00 0.00 O ATOM 243 CB LEU A 18 -8.025 15.816 5.660 1.00 0.00 C ATOM 244 CG LEU A 18 -9.250 16.700 5.415 1.00 0.00 C ATOM 245 CD1 LEU A 18 -10.536 15.981 5.827 1.00 0.00 C ATOM 246 CD2 LEU A 18 -9.099 18.052 6.115 1.00 0.00 C ATOM 0 H LEU A 18 -6.090 16.038 7.251 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.907 15.346 7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.131 16.428 5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.991 15.053 4.883 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.321 16.898 4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.391 16.631 5.643 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.644 15.066 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.491 15.733 6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.983 18.661 5.925 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.990 17.896 7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.216 18.564 5.731 1.00 0.00 H new ATOM 257 N CYS A 19 -7.222 13.144 5.856 1.00 0.00 N ATOM 258 CA CYS A 19 -7.047 11.719 5.638 1.00 0.00 C ATOM 259 C CYS A 19 -5.615 11.345 6.027 1.00 0.00 C ATOM 260 O CYS A 19 -5.124 10.281 5.653 1.00 0.00 O ATOM 261 CB CYS A 19 -7.368 11.323 4.194 1.00 0.00 C ATOM 262 SG CYS A 19 -8.510 9.905 4.023 1.00 0.00 S ATOM 0 H CYS A 19 -6.824 13.739 5.129 1.00 0.00 H new ATOM 0 HA CYS A 19 -7.748 11.165 6.262 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -7.801 12.184 3.684 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -6.436 11.084 3.682 1.00 0.00 H new ATOM 266 N GLY A 20 -4.986 12.241 6.772 1.00 0.00 N ATOM 267 CA GLY A 20 -3.620 12.019 7.215 1.00 0.00 C ATOM 268 C GLY A 20 -2.676 11.854 6.022 1.00 0.00 C ATOM 269 O GLY A 20 -3.009 11.171 5.054 1.00 0.00 O ATOM 0 H GLY A 20 -5.397 13.122 7.080 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.292 12.858 7.829 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.578 11.129 7.843 1.00 0.00 H new ATOM 273 N ALA A 21 -1.519 12.489 6.132 1.00 0.00 N ATOM 274 CA ALA A 21 -0.524 12.420 5.074 1.00 0.00 C ATOM 275 C ALA A 21 0.518 11.358 5.429 1.00 0.00 C ATOM 276 O ALA A 21 1.425 11.086 4.643 1.00 0.00 O ATOM 277 CB ALA A 21 0.099 13.802 4.870 1.00 0.00 C ATOM 0 H ALA A 21 -1.248 13.054 6.937 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.985 12.127 4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.845 13.751 4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.678 14.514 4.592 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.575 14.127 5.795 1.00 0.00 H new ATOM 283 N GLU A 22 0.354 10.785 6.612 1.00 0.00 N ATOM 284 CA GLU A 22 1.270 9.758 7.080 1.00 0.00 C ATOM 285 C GLU A 22 1.296 8.584 6.099 1.00 0.00 C ATOM 286 O GLU A 22 2.358 8.200 5.613 1.00 0.00 O ATOM 287 CB GLU A 22 0.894 9.288 8.487 1.00 0.00 C ATOM 288 CG GLU A 22 2.144 9.034 9.332 1.00 0.00 C ATOM 289 CD GLU A 22 1.922 7.873 10.304 1.00 0.00 C ATOM 290 OE1 GLU A 22 2.059 6.717 9.848 1.00 0.00 O ATOM 291 OE2 GLU A 22 1.621 8.168 11.481 1.00 0.00 O ATOM 0 H GLU A 22 -0.400 11.012 7.261 1.00 0.00 H new ATOM 0 HA GLU A 22 2.271 10.187 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.270 10.039 8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.302 8.375 8.423 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.989 8.811 8.680 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.400 9.935 9.889 1.00 0.00 H new ATOM 296 N LEU A 23 0.114 8.045 5.839 1.00 0.00 N ATOM 297 CA LEU A 23 -0.012 6.923 4.925 1.00 0.00 C ATOM 298 C LEU A 23 1.117 6.980 3.894 1.00 0.00 C ATOM 299 O LEU A 23 1.730 5.962 3.581 1.00 0.00 O ATOM 300 CB LEU A 23 -1.411 6.891 4.304 1.00 0.00 C ATOM 301 CG LEU A 23 -2.246 8.162 4.468 1.00 0.00 C ATOM 302 CD1 LEU A 23 -2.974 8.171 5.813 1.00 0.00 C ATOM 303 CD2 LEU A 23 -1.385 9.412 4.275 1.00 0.00 C ATOM 0 H LEU A 23 -0.765 8.365 6.246 1.00 0.00 H new ATOM 0 HA LEU A 23 0.094 5.981 5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.310 6.681 3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.962 6.059 4.742 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.009 8.172 3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.560 9.086 5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.637 7.308 5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.245 8.126 6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.003 10.302 4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.586 9.421 5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.952 9.405 3.275 1.00 0.00 H new ATOM 314 N VAL A 24 1.357 8.184 3.394 1.00 0.00 N ATOM 315 CA VAL A 24 2.401 8.389 2.404 1.00 0.00 C ATOM 316 C VAL A 24 3.730 8.645 3.117 1.00 0.00 C ATOM 317 O VAL A 24 4.787 8.239 2.635 1.00 0.00 O ATOM 318 CB VAL A 24 2.006 9.519 1.452 1.00 0.00 C ATOM 319 CG1 VAL A 24 1.472 10.726 2.226 1.00 0.00 C ATOM 320 CG2 VAL A 24 3.181 9.918 0.557 1.00 0.00 C ATOM 0 H VAL A 24 0.846 9.027 3.656 1.00 0.00 H new ATOM 0 HA VAL A 24 2.527 7.496 1.792 1.00 0.00 H new ATOM 0 HB VAL A 24 1.206 9.152 0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.198 11.515 1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.594 10.430 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.242 11.093 2.904 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.873 10.723 -0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.011 10.257 1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.497 9.058 -0.034 1.00 0.00 H new ATOM 330 N ASP A 25 3.634 9.317 4.255 1.00 0.00 N ATOM 331 CA ASP A 25 4.817 9.633 5.040 1.00 0.00 C ATOM 332 C ASP A 25 5.264 8.385 5.804 1.00 0.00 C ATOM 333 O ASP A 25 6.378 8.337 6.323 1.00 0.00 O ATOM 334 CB ASP A 25 4.521 10.732 6.062 1.00 0.00 C ATOM 335 CG ASP A 25 5.523 11.888 6.076 1.00 0.00 C ATOM 336 OD1 ASP A 25 6.607 11.693 6.669 1.00 0.00 O ATOM 337 OD2 ASP A 25 5.184 12.940 5.492 1.00 0.00 O ATOM 0 H ASP A 25 2.756 9.651 4.653 1.00 0.00 H new ATOM 0 HA ASP A 25 5.595 9.975 4.357 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.528 11.134 5.863 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.491 10.285 7.056 1.00 0.00 H new ATOM 341 N ALA A 26 4.372 7.406 5.849 1.00 0.00 N ATOM 342 CA ALA A 26 4.662 6.161 6.540 1.00 0.00 C ATOM 343 C ALA A 26 5.423 5.225 5.599 1.00 0.00 C ATOM 344 O ALA A 26 6.525 4.779 5.918 1.00 0.00 O ATOM 345 CB ALA A 26 3.358 5.543 7.047 1.00 0.00 C ATOM 0 H ALA A 26 3.448 7.450 5.418 1.00 0.00 H new ATOM 0 HA ALA A 26 5.296 6.343 7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.575 4.609 7.565 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.871 6.235 7.734 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.697 5.344 6.203 1.00 0.00 H new ATOM 351 N LEU A 27 4.806 4.954 4.458 1.00 0.00 N ATOM 352 CA LEU A 27 5.411 4.080 3.468 1.00 0.00 C ATOM 353 C LEU A 27 6.816 4.587 3.137 1.00 0.00 C ATOM 354 O LEU A 27 7.777 3.819 3.153 1.00 0.00 O ATOM 355 CB LEU A 27 4.502 3.943 2.246 1.00 0.00 C ATOM 356 CG LEU A 27 3.130 3.313 2.497 1.00 0.00 C ATOM 357 CD1 LEU A 27 2.013 4.188 1.925 1.00 0.00 C ATOM 358 CD2 LEU A 27 3.075 1.884 1.952 1.00 0.00 C ATOM 0 H LEU A 27 3.892 5.325 4.197 1.00 0.00 H new ATOM 0 HA LEU A 27 5.522 3.072 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.352 4.934 1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.022 3.346 1.496 1.00 0.00 H new ATOM 0 HG LEU A 27 2.973 3.253 3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.048 3.718 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.040 5.169 2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.154 4.302 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.090 1.459 2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.263 1.897 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.834 1.277 2.446 1.00 0.00 H new ATOM 369 N GLN A 28 6.891 5.877 2.845 1.00 0.00 N ATOM 370 CA GLN A 28 8.162 6.496 2.510 1.00 0.00 C ATOM 371 C GLN A 28 9.131 6.389 3.688 1.00 0.00 C ATOM 372 O GLN A 28 10.303 6.059 3.506 1.00 0.00 O ATOM 373 CB GLN A 28 7.969 7.955 2.090 1.00 0.00 C ATOM 374 CG GLN A 28 8.583 8.907 3.118 1.00 0.00 C ATOM 375 CD GLN A 28 8.086 10.338 2.905 1.00 0.00 C ATOM 376 OE1 GLN A 28 6.899 10.600 2.786 1.00 0.00 O ATOM 377 NE2 GLN A 28 9.055 11.247 2.864 1.00 0.00 N ATOM 0 H GLN A 28 6.092 6.511 2.833 1.00 0.00 H new ATOM 0 HA GLN A 28 8.591 5.962 1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.429 8.121 1.116 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.906 8.168 1.981 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.327 8.575 4.124 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.670 8.880 3.040 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.028 10.960 2.970 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.825 12.231 2.726 1.00 0.00 H new ATOM 384 N PHE A 29 8.608 6.673 4.872 1.00 0.00 N ATOM 385 CA PHE A 29 9.413 6.612 6.080 1.00 0.00 C ATOM 386 C PHE A 29 10.346 5.401 6.057 1.00 0.00 C ATOM 387 O PHE A 29 11.543 5.530 6.312 1.00 0.00 O ATOM 388 CB PHE A 29 8.444 6.472 7.257 1.00 0.00 C ATOM 389 CG PHE A 29 9.011 5.686 8.440 1.00 0.00 C ATOM 390 CD1 PHE A 29 10.329 5.793 8.758 1.00 0.00 C ATOM 391 CD2 PHE A 29 8.197 4.880 9.173 1.00 0.00 C ATOM 392 CE1 PHE A 29 10.856 5.062 9.856 1.00 0.00 C ATOM 393 CE2 PHE A 29 8.724 4.150 10.271 1.00 0.00 C ATOM 394 CZ PHE A 29 10.042 4.256 10.589 1.00 0.00 C ATOM 0 H PHE A 29 7.636 6.946 5.020 1.00 0.00 H new ATOM 0 HA PHE A 29 10.027 7.509 6.163 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.158 7.467 7.599 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.535 5.980 6.910 1.00 0.00 H new ATOM 0 HD1 PHE A 29 10.975 6.434 8.176 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.150 4.795 8.920 1.00 0.00 H new ATOM 0 HE1 PHE A 29 11.903 5.146 10.109 1.00 0.00 H new ATOM 0 HE2 PHE A 29 8.078 3.510 10.854 1.00 0.00 H new ATOM 0 HZ PHE A 29 10.442 3.700 11.424 1.00 0.00 H new ATOM 403 N VAL A 30 9.764 4.251 5.749 1.00 0.00 N ATOM 404 CA VAL A 30 10.530 3.017 5.689 1.00 0.00 C ATOM 405 C VAL A 30 10.865 2.701 4.231 1.00 0.00 C ATOM 406 O VAL A 30 12.028 2.488 3.889 1.00 0.00 O ATOM 407 CB VAL A 30 9.762 1.891 6.385 1.00 0.00 C ATOM 408 CG1 VAL A 30 10.643 0.653 6.556 1.00 0.00 C ATOM 409 CG2 VAL A 30 9.204 2.358 7.731 1.00 0.00 C ATOM 0 H VAL A 30 8.771 4.148 5.538 1.00 0.00 H new ATOM 0 HA VAL A 30 11.474 3.126 6.223 1.00 0.00 H new ATOM 0 HB VAL A 30 8.919 1.618 5.751 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.074 -0.133 7.053 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.970 0.301 5.578 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.514 0.907 7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.663 1.539 8.204 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.025 2.672 8.376 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.526 3.197 7.573 1.00 0.00 H new ATOM 419 N CYS A 31 9.826 2.678 3.409 1.00 0.00 N ATOM 420 CA CYS A 31 9.995 2.391 1.995 1.00 0.00 C ATOM 421 C CYS A 31 10.997 3.392 1.418 1.00 0.00 C ATOM 422 O CYS A 31 11.673 3.102 0.432 1.00 0.00 O ATOM 423 CB CYS A 31 8.661 2.424 1.247 1.00 0.00 C ATOM 424 SG CYS A 31 8.265 0.898 0.316 1.00 0.00 S ATOM 0 H CYS A 31 8.863 2.854 3.696 1.00 0.00 H new ATOM 0 HA CYS A 31 10.381 1.379 1.871 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.863 2.612 1.965 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.670 3.264 0.553 1.00 0.00 H new ATOM 428 N GLY A 32 11.062 4.551 2.057 1.00 0.00 N ATOM 429 CA GLY A 32 11.971 5.597 1.620 1.00 0.00 C ATOM 430 C GLY A 32 11.513 6.967 2.124 1.00 0.00 C ATOM 431 O GLY A 32 10.485 7.483 1.685 1.00 0.00 O ATOM 0 H GLY A 32 10.500 4.789 2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.976 5.388 1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.025 5.605 0.531 1.00 0.00 H new ATOM 435 N ASP A 33 12.297 7.518 3.039 1.00 0.00 N ATOM 436 CA ASP A 33 11.985 8.819 3.607 1.00 0.00 C ATOM 437 C ASP A 33 12.020 9.875 2.502 1.00 0.00 C ATOM 438 O ASP A 33 12.312 11.042 2.762 1.00 0.00 O ATOM 439 CB ASP A 33 13.010 9.214 4.672 1.00 0.00 C ATOM 440 CG ASP A 33 13.576 8.051 5.489 1.00 0.00 C ATOM 441 OD1 ASP A 33 13.969 7.050 4.854 1.00 0.00 O ATOM 442 OD2 ASP A 33 13.600 8.189 6.732 1.00 0.00 O ATOM 0 H ASP A 33 13.148 7.087 3.401 1.00 0.00 H new ATOM 0 HA ASP A 33 10.996 8.760 4.062 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.836 9.732 4.185 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.546 9.926 5.355 1.00 0.00 H new ATOM 446 N ARG A 34 11.717 9.430 1.291 1.00 0.00 N ATOM 447 CA ARG A 34 11.710 10.323 0.145 1.00 0.00 C ATOM 448 C ARG A 34 10.301 10.420 -0.443 1.00 0.00 C ATOM 449 O ARG A 34 10.119 10.921 -1.552 1.00 0.00 O ATOM 450 CB ARG A 34 12.675 9.837 -0.938 1.00 0.00 C ATOM 451 CG ARG A 34 14.014 9.417 -0.330 1.00 0.00 C ATOM 452 CD ARG A 34 15.111 10.427 -0.672 1.00 0.00 C ATOM 453 NE ARG A 34 15.719 10.953 0.571 1.00 0.00 N ATOM 454 CZ ARG A 34 16.302 10.188 1.505 1.00 0.00 C ATOM 455 NH1 ARG A 34 16.360 8.860 1.342 1.00 0.00 N ATOM 456 NH2 ARG A 34 16.826 10.752 2.601 1.00 0.00 N ATOM 0 H ARG A 34 11.474 8.462 1.079 1.00 0.00 H new ATOM 0 HA ARG A 34 12.033 11.306 0.488 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.234 8.995 -1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.836 10.629 -1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.916 9.333 0.752 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.293 8.431 -0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 34 15.875 9.952 -1.288 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.693 11.246 -1.257 1.00 0.00 H new ATOM 0 HE ARG A 34 15.693 11.961 0.727 1.00 0.00 H new ATOM 0 HH11 ARG A 34 15.961 8.431 0.507 1.00 0.00 H new ATOM 0 HH12 ARG A 34 16.804 8.278 2.052 1.00 0.00 H new ATOM 0 HH21 ARG A 34 16.781 11.763 2.725 1.00 0.00 H new ATOM 0 HH22 ARG A 34 17.270 10.170 3.312 1.00 0.00 H new ATOM 467 N GLY A 35 9.337 9.933 0.326 1.00 0.00 N ATOM 468 CA GLY A 35 7.950 9.959 -0.105 1.00 0.00 C ATOM 469 C GLY A 35 7.600 8.700 -0.900 1.00 0.00 C ATOM 470 O GLY A 35 8.266 8.375 -1.882 1.00 0.00 O ATOM 0 H GLY A 35 9.490 9.518 1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.297 10.038 0.764 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.773 10.842 -0.719 1.00 0.00 H new ATOM 474 N PHE A 36 6.555 8.024 -0.446 1.00 0.00 N ATOM 475 CA PHE A 36 6.107 6.807 -1.103 1.00 0.00 C ATOM 476 C PHE A 36 4.828 7.056 -1.905 1.00 0.00 C ATOM 477 O PHE A 36 4.008 7.892 -1.530 1.00 0.00 O ATOM 478 CB PHE A 36 5.813 5.786 -0.002 1.00 0.00 C ATOM 479 CG PHE A 36 5.065 4.544 -0.488 1.00 0.00 C ATOM 480 CD1 PHE A 36 5.758 3.468 -0.947 1.00 0.00 C ATOM 481 CD2 PHE A 36 3.706 4.515 -0.460 1.00 0.00 C ATOM 482 CE1 PHE A 36 5.063 2.316 -1.399 1.00 0.00 C ATOM 483 CE2 PHE A 36 3.010 3.362 -0.912 1.00 0.00 C ATOM 484 CZ PHE A 36 3.704 2.286 -1.372 1.00 0.00 C ATOM 0 H PHE A 36 6.005 8.296 0.369 1.00 0.00 H new ATOM 0 HA PHE A 36 6.874 6.453 -1.792 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.754 5.476 0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.226 6.269 0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.838 3.490 -0.968 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.155 5.369 -0.094 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.614 1.462 -1.765 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.930 3.340 -0.890 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.176 1.409 -1.715 1.00 0.00 H new ATOM 493 N TYR A 37 4.698 6.313 -2.994 1.00 0.00 N ATOM 494 CA TYR A 37 3.533 6.442 -3.853 1.00 0.00 C ATOM 495 C TYR A 37 2.531 5.316 -3.592 1.00 0.00 C ATOM 496 O TYR A 37 2.857 4.141 -3.753 1.00 0.00 O ATOM 497 CB TYR A 37 4.051 6.324 -5.288 1.00 0.00 C ATOM 498 CG TYR A 37 2.990 6.592 -6.357 1.00 0.00 C ATOM 499 CD1 TYR A 37 1.979 7.499 -6.114 1.00 0.00 C ATOM 500 CD2 TYR A 37 3.044 5.925 -7.564 1.00 0.00 C ATOM 501 CE1 TYR A 37 0.979 7.750 -7.120 1.00 0.00 C ATOM 502 CE2 TYR A 37 2.045 6.177 -8.571 1.00 0.00 C ATOM 503 CZ TYR A 37 1.062 7.076 -8.300 1.00 0.00 C ATOM 504 OH TYR A 37 0.119 7.313 -9.250 1.00 0.00 O ATOM 0 H TYR A 37 5.380 5.620 -3.301 1.00 0.00 H new ATOM 0 HA TYR A 37 3.024 7.388 -3.668 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.875 7.025 -5.425 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.456 5.323 -5.436 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.937 8.021 -5.169 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.835 5.214 -7.754 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.182 8.457 -6.942 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.076 5.663 -9.520 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.747 6.970 -8.944 1.00 0.00 H new ATOM 513 N PHE A 38 1.332 5.715 -3.191 1.00 0.00 N ATOM 514 CA PHE A 38 0.281 4.754 -2.906 1.00 0.00 C ATOM 515 C PHE A 38 -0.030 3.898 -4.135 1.00 0.00 C ATOM 516 O PHE A 38 0.730 2.993 -4.475 1.00 0.00 O ATOM 517 CB PHE A 38 -0.966 5.554 -2.527 1.00 0.00 C ATOM 518 CG PHE A 38 -0.835 6.325 -1.212 1.00 0.00 C ATOM 519 CD1 PHE A 38 -0.029 5.853 -0.224 1.00 0.00 C ATOM 520 CD2 PHE A 38 -1.527 7.483 -1.031 1.00 0.00 C ATOM 521 CE1 PHE A 38 0.092 6.569 0.996 1.00 0.00 C ATOM 522 CE2 PHE A 38 -1.406 8.198 0.190 1.00 0.00 C ATOM 523 CZ PHE A 38 -0.599 7.726 1.178 1.00 0.00 C ATOM 0 H PHE A 38 1.066 6.691 -3.057 1.00 0.00 H new ATOM 0 HA PHE A 38 0.596 4.087 -2.104 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.191 6.258 -3.328 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.814 4.873 -2.454 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.519 4.934 -0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.168 7.858 -1.815 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.733 6.194 1.780 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.955 9.117 0.334 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.507 8.270 2.107 1.00 0.00 H new ATOM 532 N ASN A 39 -1.149 4.216 -4.770 1.00 0.00 N ATOM 533 CA ASN A 39 -1.569 3.488 -5.955 1.00 0.00 C ATOM 534 C ASN A 39 -0.592 3.774 -7.097 1.00 0.00 C ATOM 535 O ASN A 39 0.521 4.241 -6.863 1.00 0.00 O ATOM 536 CB ASN A 39 -2.964 3.929 -6.405 1.00 0.00 C ATOM 537 CG ASN A 39 -3.678 2.802 -7.156 1.00 0.00 C ATOM 538 OD1 ASN A 39 -3.679 1.639 -6.512 1.00 0.00 O flip ATOM 539 ND2 ASN A 39 -4.195 2.979 -8.247 1.00 0.00 N flip ATOM 0 H ASN A 39 -1.777 4.968 -4.486 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.587 2.426 -5.710 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.554 4.224 -5.537 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.883 4.805 -7.048 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.158 3.899 -8.686 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.665 2.207 -8.720 1.00 0.00 H new ATOM 545 N LYS A 40 -1.044 3.480 -8.307 1.00 0.00 N ATOM 546 CA LYS A 40 -0.223 3.699 -9.486 1.00 0.00 C ATOM 547 C LYS A 40 -0.658 4.996 -10.171 1.00 0.00 C ATOM 548 O LYS A 40 -1.590 5.658 -9.718 1.00 0.00 O ATOM 549 CB LYS A 40 -0.266 2.475 -10.403 1.00 0.00 C ATOM 550 CG LYS A 40 -1.327 2.643 -11.492 1.00 0.00 C ATOM 551 CD LYS A 40 -1.310 1.459 -12.461 1.00 0.00 C ATOM 552 CE LYS A 40 -2.115 0.283 -11.905 1.00 0.00 C ATOM 553 NZ LYS A 40 -1.398 -0.991 -12.135 1.00 0.00 N ATOM 0 H LYS A 40 -1.968 3.092 -8.497 1.00 0.00 H new ATOM 0 HA LYS A 40 0.823 3.822 -9.205 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.711 2.326 -10.862 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.481 1.583 -9.815 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.313 2.729 -11.034 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.148 3.568 -12.040 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.723 1.765 -13.422 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.281 1.147 -12.641 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.285 0.424 -10.838 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.094 0.247 -12.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.958 -1.779 -11.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.257 -1.131 -13.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.474 -0.960 -11.659 1.00 0.00 H new ATOM 563 N PRO A 41 0.057 5.328 -11.279 1.00 0.00 N ATOM 564 CA PRO A 41 -0.246 6.534 -12.031 1.00 0.00 C ATOM 565 C PRO A 41 -1.517 6.358 -12.862 1.00 0.00 C ATOM 566 O PRO A 41 -1.465 5.868 -13.989 1.00 0.00 O ATOM 567 CB PRO A 41 0.989 6.787 -12.881 1.00 0.00 C ATOM 568 CG PRO A 41 1.744 5.469 -12.923 1.00 0.00 C ATOM 569 CD PRO A 41 1.168 4.567 -11.844 1.00 0.00 C ATOM 0 HA PRO A 41 -0.454 7.389 -11.388 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.713 7.111 -13.884 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.605 7.576 -12.450 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.644 5.003 -13.903 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.808 5.633 -12.755 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.827 3.619 -12.261 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.914 4.332 -11.085 1.00 0.00 H new ATOM 574 N THR A 42 -2.632 6.767 -12.274 1.00 0.00 N ATOM 575 CA THR A 42 -3.916 6.661 -12.946 1.00 0.00 C ATOM 576 C THR A 42 -3.750 6.883 -14.450 1.00 0.00 C ATOM 577 O THR A 42 -3.584 5.928 -15.208 1.00 0.00 O ATOM 578 CB THR A 42 -4.878 7.652 -12.287 1.00 0.00 C ATOM 579 OG1 THR A 42 -5.131 7.089 -11.003 1.00 0.00 O ATOM 580 CG2 THR A 42 -6.250 7.672 -12.963 1.00 0.00 C ATOM 0 H THR A 42 -2.673 7.173 -11.339 1.00 0.00 H new ATOM 0 HA THR A 42 -4.336 5.661 -12.842 1.00 0.00 H new ATOM 0 HB THR A 42 -4.445 8.652 -12.315 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.745 7.669 -10.507 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.894 8.391 -12.457 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.136 7.959 -14.008 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.698 6.680 -12.906 1.00 0.00 H new ATOM 588 N GLY A 43 -3.800 8.149 -14.839 1.00 0.00 N ATOM 589 CA GLY A 43 -3.658 8.508 -16.239 1.00 0.00 C ATOM 590 C GLY A 43 -2.659 7.587 -16.943 1.00 0.00 C ATOM 591 O GLY A 43 -1.465 7.881 -16.989 1.00 0.00 O ATOM 0 H GLY A 43 -3.937 8.939 -14.208 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.627 8.445 -16.734 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.324 9.542 -16.321 1.00 0.00 H new ATOM 595 N TYR A 44 -3.183 6.492 -17.473 1.00 0.00 N ATOM 596 CA TYR A 44 -2.352 5.527 -18.173 1.00 0.00 C ATOM 597 C TYR A 44 -3.188 4.676 -19.130 1.00 0.00 C ATOM 598 O TYR A 44 -4.256 4.190 -18.764 1.00 0.00 O ATOM 599 CB TYR A 44 -1.758 4.622 -17.092 1.00 0.00 C ATOM 600 CG TYR A 44 -0.368 4.078 -17.430 1.00 0.00 C ATOM 601 CD1 TYR A 44 -0.140 3.485 -18.655 1.00 0.00 C ATOM 602 CD2 TYR A 44 0.656 4.181 -16.511 1.00 0.00 C ATOM 603 CE1 TYR A 44 1.168 2.972 -18.974 1.00 0.00 C ATOM 604 CE2 TYR A 44 1.964 3.670 -16.830 1.00 0.00 C ATOM 605 CZ TYR A 44 2.155 3.090 -18.046 1.00 0.00 C ATOM 606 OH TYR A 44 3.390 2.607 -18.347 1.00 0.00 O ATOM 0 H TYR A 44 -4.173 6.251 -17.432 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.587 6.034 -18.762 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.701 5.179 -16.157 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.434 3.784 -16.923 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.942 3.405 -19.374 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.477 4.645 -15.552 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.360 2.504 -19.928 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.775 3.745 -16.120 1.00 0.00 H new ATOM 0 HH TYR A 44 3.995 2.761 -17.591 1.00 0.00 H new ATOM 615 N GLY A 45 -2.670 4.524 -20.340 1.00 0.00 N ATOM 616 CA GLY A 45 -3.355 3.740 -21.354 1.00 0.00 C ATOM 617 C GLY A 45 -4.023 2.510 -20.737 1.00 0.00 C ATOM 618 O GLY A 45 -5.032 2.025 -21.248 1.00 0.00 O ATOM 0 H GLY A 45 -1.784 4.930 -20.641 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.106 4.356 -21.849 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.644 3.427 -22.119 1.00 0.00 H new ATOM 622 N SER A 46 -3.435 2.040 -19.647 1.00 0.00 N ATOM 623 CA SER A 46 -3.961 0.876 -18.956 1.00 0.00 C ATOM 624 C SER A 46 -4.928 1.314 -17.854 1.00 0.00 C ATOM 625 O SER A 46 -4.603 1.236 -16.670 1.00 0.00 O ATOM 626 CB SER A 46 -2.832 0.030 -18.364 1.00 0.00 C ATOM 627 OG SER A 46 -3.282 -1.265 -17.974 1.00 0.00 O ATOM 0 H SER A 46 -2.599 2.445 -19.225 1.00 0.00 H new ATOM 0 HA SER A 46 -4.498 0.263 -19.680 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.032 -0.070 -19.097 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.410 0.543 -17.499 1.00 0.00 H new ATOM 0 HG SER A 46 -4.030 -1.176 -17.347 1.00 0.00 H new ATOM 632 N SER A 47 -6.098 1.766 -18.282 1.00 0.00 N ATOM 633 CA SER A 47 -7.114 2.217 -17.347 1.00 0.00 C ATOM 634 C SER A 47 -7.737 1.016 -16.631 1.00 0.00 C ATOM 635 O SER A 47 -8.888 0.665 -16.887 1.00 0.00 O ATOM 636 CB SER A 47 -8.196 3.030 -18.060 1.00 0.00 C ATOM 637 OG SER A 47 -9.454 2.940 -17.397 1.00 0.00 O ATOM 0 H SER A 47 -6.365 1.829 -19.264 1.00 0.00 H new ATOM 0 HA SER A 47 -6.638 2.864 -16.610 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.888 4.074 -18.114 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.300 2.675 -19.085 1.00 0.00 H new ATOM 0 HG SER A 47 -9.764 2.011 -17.409 1.00 0.00 H new ATOM 642 N SER A 48 -6.948 0.420 -15.749 1.00 0.00 N ATOM 643 CA SER A 48 -7.408 -0.734 -14.995 1.00 0.00 C ATOM 644 C SER A 48 -7.957 -0.288 -13.638 1.00 0.00 C ATOM 645 O SER A 48 -7.236 0.306 -12.837 1.00 0.00 O ATOM 646 CB SER A 48 -6.281 -1.751 -14.802 1.00 0.00 C ATOM 647 OG SER A 48 -5.710 -2.155 -16.043 1.00 0.00 O ATOM 0 H SER A 48 -5.994 0.714 -15.540 1.00 0.00 H new ATOM 0 HA SER A 48 -8.204 -1.217 -15.562 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.506 -1.318 -14.170 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.667 -2.626 -14.279 1.00 0.00 H new ATOM 0 HG SER A 48 -4.993 -2.803 -15.878 1.00 0.00 H new ATOM 652 N ARG A 49 -9.229 -0.590 -13.421 1.00 0.00 N ATOM 653 CA ARG A 49 -9.883 -0.228 -12.176 1.00 0.00 C ATOM 654 C ARG A 49 -8.912 -0.377 -11.003 1.00 0.00 C ATOM 655 O ARG A 49 -8.555 -1.492 -10.628 1.00 0.00 O ATOM 656 CB ARG A 49 -11.113 -1.102 -11.925 1.00 0.00 C ATOM 657 CG ARG A 49 -10.793 -2.580 -12.156 1.00 0.00 C ATOM 658 CD ARG A 49 -11.464 -3.095 -13.431 1.00 0.00 C ATOM 659 NE ARG A 49 -10.490 -3.115 -14.545 1.00 0.00 N ATOM 660 CZ ARG A 49 -10.814 -3.358 -15.822 1.00 0.00 C ATOM 661 NH1 ARG A 49 -12.089 -3.603 -16.155 1.00 0.00 N ATOM 662 NH2 ARG A 49 -9.863 -3.356 -16.766 1.00 0.00 N ATOM 0 H ARG A 49 -9.824 -1.082 -14.088 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.201 0.811 -12.259 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.463 -0.958 -10.903 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.923 -0.794 -12.586 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.714 -2.715 -12.229 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.130 -3.166 -11.301 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.858 -4.097 -13.264 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.310 -2.458 -13.689 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.510 -2.932 -14.327 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.813 -3.604 -15.436 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.336 -3.788 -17.127 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.893 -3.170 -16.512 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.109 -3.541 -17.738 1.00 0.00 H new ATOM 673 N ARG A 50 -8.513 0.763 -10.458 1.00 0.00 N ATOM 674 CA ARG A 50 -7.589 0.772 -9.336 1.00 0.00 C ATOM 675 C ARG A 50 -7.860 -0.420 -8.416 1.00 0.00 C ATOM 676 O ARG A 50 -8.890 -0.472 -7.746 1.00 0.00 O ATOM 677 CB ARG A 50 -7.716 2.067 -8.530 1.00 0.00 C ATOM 678 CG ARG A 50 -9.056 2.125 -7.792 1.00 0.00 C ATOM 679 CD ARG A 50 -8.894 1.708 -6.329 1.00 0.00 C ATOM 680 NE ARG A 50 -10.012 0.825 -5.929 1.00 0.00 N ATOM 681 CZ ARG A 50 -11.280 1.235 -5.792 1.00 0.00 C ATOM 682 NH1 ARG A 50 -11.600 2.515 -6.023 1.00 0.00 N ATOM 683 NH2 ARG A 50 -12.230 0.363 -5.423 1.00 0.00 N ATOM 0 H ARG A 50 -8.812 1.686 -10.772 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.578 0.703 -9.738 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.898 2.134 -7.812 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.627 2.925 -9.197 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.460 3.136 -7.843 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.775 1.469 -8.283 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.944 1.191 -6.192 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.871 2.591 -5.691 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.804 -0.157 -5.746 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.878 3.179 -6.304 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.566 2.826 -5.918 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.987 -0.612 -5.247 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.196 0.675 -5.319 1.00 0.00 H new ATOM 694 N ALA A 51 -6.915 -1.351 -8.415 1.00 0.00 N ATOM 695 CA ALA A 51 -7.039 -2.540 -7.588 1.00 0.00 C ATOM 696 C ALA A 51 -7.628 -2.154 -6.231 1.00 0.00 C ATOM 697 O ALA A 51 -8.793 -2.433 -5.954 1.00 0.00 O ATOM 698 CB ALA A 51 -5.672 -3.216 -7.461 1.00 0.00 C ATOM 0 H ALA A 51 -6.062 -1.306 -8.973 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.717 -3.259 -8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.763 -4.108 -6.841 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.312 -3.497 -8.451 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.966 -2.525 -7.001 1.00 0.00 H new ATOM 704 N CYS A 52 -6.796 -1.518 -5.420 1.00 0.00 N ATOM 705 CA CYS A 52 -7.220 -1.090 -4.097 1.00 0.00 C ATOM 706 C CYS A 52 -5.987 -1.029 -3.193 1.00 0.00 C ATOM 707 O CYS A 52 -5.989 -0.332 -2.181 1.00 0.00 O ATOM 708 CB CYS A 52 -8.301 -2.009 -3.526 1.00 0.00 C ATOM 709 SG CYS A 52 -8.369 -1.839 -1.705 1.00 0.00 S ATOM 0 H CYS A 52 -5.830 -1.288 -5.653 1.00 0.00 H new ATOM 0 HA CYS A 52 -7.672 -0.100 -4.160 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.269 -1.758 -3.959 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -8.090 -3.044 -3.795 1.00 0.00 H new ATOM 0 HG CYS A 52 -7.359 -1.130 -1.297 1.00 0.00 H new ATOM 714 N GLN A 53 -4.962 -1.770 -3.593 1.00 0.00 N ATOM 715 CA GLN A 53 -3.726 -1.809 -2.831 1.00 0.00 C ATOM 716 C GLN A 53 -3.471 -0.457 -2.162 1.00 0.00 C ATOM 717 O GLN A 53 -2.995 -0.401 -1.029 1.00 0.00 O ATOM 718 CB GLN A 53 -2.547 -2.211 -3.720 1.00 0.00 C ATOM 719 CG GLN A 53 -2.928 -2.142 -5.201 1.00 0.00 C ATOM 720 CD GLN A 53 -1.682 -2.095 -6.086 1.00 0.00 C ATOM 721 OE1 GLN A 53 -0.605 -2.527 -5.710 1.00 0.00 O ATOM 722 NE2 GLN A 53 -1.887 -1.550 -7.281 1.00 0.00 N ATOM 0 H GLN A 53 -4.963 -2.347 -4.434 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.826 -2.565 -2.052 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.701 -1.552 -3.528 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.227 -3.222 -3.470 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.533 -3.009 -5.465 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.540 -1.259 -5.382 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.814 -1.208 -7.533 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.117 -1.474 -7.946 1.00 0.00 H new ATOM 729 N THR A 54 -3.800 0.599 -2.891 1.00 0.00 N ATOM 730 CA THR A 54 -3.613 1.947 -2.383 1.00 0.00 C ATOM 731 C THR A 54 -4.553 2.208 -1.204 1.00 0.00 C ATOM 732 O THR A 54 -4.945 3.348 -0.958 1.00 0.00 O ATOM 733 CB THR A 54 -3.810 2.923 -3.544 1.00 0.00 C ATOM 734 OG1 THR A 54 -3.878 4.201 -2.917 1.00 0.00 O ATOM 735 CG2 THR A 54 -5.176 2.765 -4.216 1.00 0.00 C ATOM 0 H THR A 54 -4.195 0.548 -3.830 1.00 0.00 H new ATOM 0 HA THR A 54 -2.605 2.085 -1.992 1.00 0.00 H new ATOM 0 HB THR A 54 -3.022 2.772 -4.282 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.712 4.271 -2.407 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.264 3.481 -5.033 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.274 1.753 -4.608 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.964 2.949 -3.486 1.00 0.00 H new ATOM 743 N GLY A 55 -4.887 1.132 -0.505 1.00 0.00 N ATOM 744 CA GLY A 55 -5.773 1.230 0.641 1.00 0.00 C ATOM 745 C GLY A 55 -5.056 1.858 1.837 1.00 0.00 C ATOM 746 O GLY A 55 -5.625 1.962 2.923 1.00 0.00 O ATOM 0 H GLY A 55 -4.559 0.188 -0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.646 1.829 0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.136 0.238 0.910 1.00 0.00 H new ATOM 750 N ILE A 56 -3.816 2.260 1.599 1.00 0.00 N ATOM 751 CA ILE A 56 -3.014 2.875 2.642 1.00 0.00 C ATOM 752 C ILE A 56 -3.586 4.255 2.973 1.00 0.00 C ATOM 753 O ILE A 56 -3.220 4.857 3.981 1.00 0.00 O ATOM 754 CB ILE A 56 -1.538 2.902 2.239 1.00 0.00 C ATOM 755 CG1 ILE A 56 -0.729 1.891 3.054 1.00 0.00 C ATOM 756 CG2 ILE A 56 -0.966 4.316 2.349 1.00 0.00 C ATOM 757 CD1 ILE A 56 -1.490 0.573 3.205 1.00 0.00 C ATOM 0 H ILE A 56 -3.347 2.171 0.698 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.060 2.283 3.556 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.464 2.605 1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.228 1.708 2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.511 2.304 4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.084 4.307 2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.520 4.985 1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.054 4.665 3.378 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.892 -0.127 3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.436 0.755 3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.685 0.150 2.219 1.00 0.00 H new ATOM 768 N VAL A 57 -4.475 4.715 2.105 1.00 0.00 N ATOM 769 CA VAL A 57 -5.101 6.013 2.292 1.00 0.00 C ATOM 770 C VAL A 57 -6.599 5.821 2.534 1.00 0.00 C ATOM 771 O VAL A 57 -7.199 6.536 3.335 1.00 0.00 O ATOM 772 CB VAL A 57 -4.799 6.917 1.094 1.00 0.00 C ATOM 773 CG1 VAL A 57 -3.960 8.124 1.517 1.00 0.00 C ATOM 774 CG2 VAL A 57 -4.110 6.134 -0.024 1.00 0.00 C ATOM 0 H VAL A 57 -4.777 4.212 1.270 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.691 6.512 3.170 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.748 7.288 0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.759 8.750 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.505 8.703 2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.017 7.781 1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.907 6.800 -0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.172 5.720 0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.759 5.323 -0.354 1.00 0.00 H new ATOM 784 N ASP A 58 -7.161 4.852 1.826 1.00 0.00 N ATOM 785 CA ASP A 58 -8.579 4.556 1.954 1.00 0.00 C ATOM 786 C ASP A 58 -8.779 3.502 3.044 1.00 0.00 C ATOM 787 O ASP A 58 -9.776 3.531 3.765 1.00 0.00 O ATOM 788 CB ASP A 58 -9.145 3.999 0.647 1.00 0.00 C ATOM 789 CG ASP A 58 -10.510 4.558 0.242 1.00 0.00 C ATOM 790 OD1 ASP A 58 -11.332 4.766 1.160 1.00 0.00 O ATOM 791 OD2 ASP A 58 -10.700 4.767 -0.976 1.00 0.00 O ATOM 0 H ASP A 58 -6.660 4.262 1.162 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.096 5.482 2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.434 4.201 -0.154 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.225 2.916 0.736 1.00 0.00 H new ATOM 795 N GLU A 59 -7.816 2.596 3.131 1.00 0.00 N ATOM 796 CA GLU A 59 -7.875 1.534 4.121 1.00 0.00 C ATOM 797 C GLU A 59 -7.202 1.983 5.421 1.00 0.00 C ATOM 798 O GLU A 59 -7.452 1.413 6.481 1.00 0.00 O ATOM 799 CB GLU A 59 -7.236 0.251 3.588 1.00 0.00 C ATOM 800 CG GLU A 59 -8.044 -0.979 4.006 1.00 0.00 C ATOM 801 CD GLU A 59 -7.176 -2.239 3.983 1.00 0.00 C ATOM 802 OE1 GLU A 59 -6.037 -2.136 3.478 1.00 0.00 O ATOM 803 OE2 GLU A 59 -7.671 -3.278 4.471 1.00 0.00 O ATOM 0 H GLU A 59 -6.991 2.576 2.532 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.922 1.318 4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.173 0.297 2.501 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.216 0.165 3.963 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.448 -0.830 5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.893 -1.106 3.335 1.00 0.00 H new ATOM 808 N CYS A 60 -6.362 2.999 5.295 1.00 0.00 N ATOM 809 CA CYS A 60 -5.652 3.531 6.445 1.00 0.00 C ATOM 810 C CYS A 60 -6.551 4.560 7.132 1.00 0.00 C ATOM 811 O CYS A 60 -6.610 4.618 8.359 1.00 0.00 O ATOM 812 CB CYS A 60 -4.300 4.128 6.049 1.00 0.00 C ATOM 813 SG CYS A 60 -3.086 4.252 7.413 1.00 0.00 S ATOM 0 H CYS A 60 -6.157 3.468 4.413 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.428 2.723 7.142 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.870 3.521 5.253 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.465 5.123 5.637 1.00 0.00 H new ATOM 817 N CYS A 61 -7.232 5.346 6.310 1.00 0.00 N ATOM 818 CA CYS A 61 -8.126 6.369 6.824 1.00 0.00 C ATOM 819 C CYS A 61 -9.321 5.677 7.482 1.00 0.00 C ATOM 820 O CYS A 61 -9.815 6.131 8.513 1.00 0.00 O ATOM 821 CB CYS A 61 -8.563 7.341 5.726 1.00 0.00 C ATOM 822 SG CYS A 61 -7.467 8.790 5.503 1.00 0.00 S ATOM 0 H CYS A 61 -7.182 5.295 5.293 1.00 0.00 H new ATOM 0 HA CYS A 61 -7.604 6.973 7.566 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.621 6.799 4.782 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.569 7.695 5.953 1.00 0.00 H new ATOM 826 N PHE A 62 -9.752 4.590 6.858 1.00 0.00 N ATOM 827 CA PHE A 62 -10.880 3.831 7.370 1.00 0.00 C ATOM 828 C PHE A 62 -10.414 2.745 8.341 1.00 0.00 C ATOM 829 O PHE A 62 -10.954 2.617 9.440 1.00 0.00 O ATOM 830 CB PHE A 62 -11.556 3.169 6.168 1.00 0.00 C ATOM 831 CG PHE A 62 -12.719 2.246 6.538 1.00 0.00 C ATOM 832 CD1 PHE A 62 -13.949 2.768 6.784 1.00 0.00 C ATOM 833 CD2 PHE A 62 -12.521 0.902 6.621 1.00 0.00 C ATOM 834 CE1 PHE A 62 -15.029 1.912 7.127 1.00 0.00 C ATOM 835 CE2 PHE A 62 -13.600 0.046 6.965 1.00 0.00 C ATOM 836 CZ PHE A 62 -14.831 0.569 7.210 1.00 0.00 C ATOM 0 H PHE A 62 -9.340 4.217 6.003 1.00 0.00 H new ATOM 0 HA PHE A 62 -11.561 4.492 7.906 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -11.922 3.946 5.497 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.812 2.595 5.616 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -14.106 3.835 6.719 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.543 0.487 6.425 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -16.007 2.327 7.322 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -13.443 -1.020 7.032 1.00 0.00 H new ATOM 0 HZ PHE A 62 -15.652 -0.082 7.471 1.00 0.00 H new ATOM 845 N ARG A 63 -9.417 1.990 7.902 1.00 0.00 N ATOM 846 CA ARG A 63 -8.874 0.920 8.718 1.00 0.00 C ATOM 847 C ARG A 63 -7.519 1.331 9.299 1.00 0.00 C ATOM 848 O ARG A 63 -6.484 1.148 8.659 1.00 0.00 O ATOM 849 CB ARG A 63 -8.702 -0.363 7.901 1.00 0.00 C ATOM 850 CG ARG A 63 -9.425 -1.537 8.567 1.00 0.00 C ATOM 851 CD ARG A 63 -9.270 -2.815 7.740 1.00 0.00 C ATOM 852 NE ARG A 63 -8.465 -3.807 8.486 1.00 0.00 N ATOM 853 CZ ARG A 63 -8.377 -5.102 8.159 1.00 0.00 C ATOM 854 NH1 ARG A 63 -9.043 -5.571 7.095 1.00 0.00 N ATOM 855 NH2 ARG A 63 -7.622 -5.930 8.893 1.00 0.00 N ATOM 0 H ARG A 63 -8.972 2.099 6.991 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.579 0.730 9.528 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.094 -0.213 6.895 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.642 -0.594 7.799 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.023 -1.696 9.568 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.483 -1.300 8.682 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.251 -3.230 7.510 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.790 -2.586 6.789 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.944 -3.484 9.301 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.617 -4.941 6.534 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.976 -6.558 6.846 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.113 -5.574 9.702 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.556 -6.917 8.643 1.00 0.00 H new ATOM 866 N SER A 64 -7.569 1.878 10.504 1.00 0.00 N ATOM 867 CA SER A 64 -6.359 2.317 11.179 1.00 0.00 C ATOM 868 C SER A 64 -5.173 1.457 10.735 1.00 0.00 C ATOM 869 O SER A 64 -5.066 0.294 11.122 1.00 0.00 O ATOM 870 CB SER A 64 -6.521 2.255 12.698 1.00 0.00 C ATOM 871 OG SER A 64 -7.712 2.905 13.134 1.00 0.00 O ATOM 0 H SER A 64 -8.429 2.028 11.031 1.00 0.00 H new ATOM 0 HA SER A 64 -6.171 3.355 10.905 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.538 1.213 13.019 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.658 2.721 13.174 1.00 0.00 H new ATOM 0 HG SER A 64 -7.780 2.842 14.110 1.00 0.00 H new ATOM 876 N CYS A 65 -4.311 2.064 9.931 1.00 0.00 N ATOM 877 CA CYS A 65 -3.137 1.369 9.433 1.00 0.00 C ATOM 878 C CYS A 65 -1.896 2.155 9.859 1.00 0.00 C ATOM 879 O CYS A 65 -1.488 3.094 9.178 1.00 0.00 O ATOM 880 CB CYS A 65 -3.197 1.173 7.916 1.00 0.00 C ATOM 881 SG CYS A 65 -2.226 2.386 6.948 1.00 0.00 S ATOM 0 H CYS A 65 -4.403 3.029 9.613 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.095 0.368 9.861 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -2.841 0.171 7.679 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.238 1.225 7.598 1.00 0.00 H new ATOM 885 N ASP A 66 -1.330 1.742 10.984 1.00 0.00 N ATOM 886 CA ASP A 66 -0.144 2.396 11.509 1.00 0.00 C ATOM 887 C ASP A 66 0.970 2.343 10.461 1.00 0.00 C ATOM 888 O ASP A 66 0.743 2.658 9.294 1.00 0.00 O ATOM 889 CB ASP A 66 0.360 1.694 12.770 1.00 0.00 C ATOM 890 CG ASP A 66 -0.707 1.430 13.835 1.00 0.00 C ATOM 891 OD1 ASP A 66 -1.575 0.570 13.567 1.00 0.00 O ATOM 892 OD2 ASP A 66 -0.632 2.094 14.891 1.00 0.00 O ATOM 0 H ASP A 66 -1.671 0.962 11.546 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.407 3.426 11.750 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.808 0.743 12.483 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.151 2.299 13.213 1.00 0.00 H new ATOM 896 N LEU A 67 2.147 1.940 10.915 1.00 0.00 N ATOM 897 CA LEU A 67 3.296 1.840 10.031 1.00 0.00 C ATOM 898 C LEU A 67 3.371 0.424 9.457 1.00 0.00 C ATOM 899 O LEU A 67 4.049 0.191 8.458 1.00 0.00 O ATOM 900 CB LEU A 67 4.570 2.278 10.756 1.00 0.00 C ATOM 901 CG LEU A 67 5.755 1.315 10.670 1.00 0.00 C ATOM 902 CD1 LEU A 67 6.830 1.852 9.724 1.00 0.00 C ATOM 903 CD2 LEU A 67 6.316 1.010 12.060 1.00 0.00 C ATOM 0 H LEU A 67 2.330 1.679 11.884 1.00 0.00 H new ATOM 0 HA LEU A 67 3.187 2.521 9.187 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.881 3.242 10.353 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.330 2.435 11.808 1.00 0.00 H new ATOM 0 HG LEU A 67 5.400 0.373 10.252 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.661 1.148 9.681 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.408 1.976 8.727 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.188 2.815 10.089 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.158 0.323 11.970 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.651 1.935 12.528 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.539 0.554 12.674 1.00 0.00 H new ATOM 914 N ARG A 68 2.665 -0.484 10.113 1.00 0.00 N ATOM 915 CA ARG A 68 2.642 -1.871 9.681 1.00 0.00 C ATOM 916 C ARG A 68 2.199 -1.964 8.220 1.00 0.00 C ATOM 917 O ARG A 68 2.839 -2.640 7.415 1.00 0.00 O ATOM 918 CB ARG A 68 1.696 -2.704 10.548 1.00 0.00 C ATOM 919 CG ARG A 68 1.952 -4.200 10.358 1.00 0.00 C ATOM 920 CD ARG A 68 2.959 -4.719 11.386 1.00 0.00 C ATOM 921 NE ARG A 68 3.255 -6.147 11.129 1.00 0.00 N ATOM 922 CZ ARG A 68 2.486 -7.160 11.550 1.00 0.00 C ATOM 923 NH1 ARG A 68 1.372 -6.910 12.251 1.00 0.00 N ATOM 924 NH2 ARG A 68 2.832 -8.425 11.271 1.00 0.00 N ATOM 0 H ARG A 68 2.104 -0.286 10.942 1.00 0.00 H new ATOM 0 HA ARG A 68 3.652 -2.267 9.784 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.830 -2.439 11.597 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.662 -2.473 10.290 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.015 -4.748 10.453 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.327 -4.383 9.351 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.877 -4.134 11.335 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.559 -4.597 12.393 1.00 0.00 H new ATOM 0 HE ARG A 68 4.096 -6.373 10.599 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.109 -5.948 12.464 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.787 -7.682 12.571 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.681 -8.616 10.738 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.247 -9.196 11.591 1.00 0.00 H new ATOM 935 N ARG A 69 1.107 -1.276 7.921 1.00 0.00 N ATOM 936 CA ARG A 69 0.571 -1.273 6.571 1.00 0.00 C ATOM 937 C ARG A 69 1.627 -0.776 5.581 1.00 0.00 C ATOM 938 O ARG A 69 1.890 -1.426 4.570 1.00 0.00 O ATOM 939 CB ARG A 69 -0.669 -0.382 6.473 1.00 0.00 C ATOM 940 CG ARG A 69 -1.877 -1.176 5.970 1.00 0.00 C ATOM 941 CD ARG A 69 -2.282 -2.255 6.977 1.00 0.00 C ATOM 942 NE ARG A 69 -3.753 -2.279 7.128 1.00 0.00 N ATOM 943 CZ ARG A 69 -4.440 -3.321 7.617 1.00 0.00 C ATOM 944 NH1 ARG A 69 -3.793 -4.428 8.004 1.00 0.00 N ATOM 945 NH2 ARG A 69 -5.775 -3.255 7.719 1.00 0.00 N ATOM 0 H ARG A 69 0.579 -0.717 8.591 1.00 0.00 H new ATOM 0 HA ARG A 69 0.290 -2.297 6.324 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.892 0.046 7.450 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.470 0.451 5.798 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.715 -0.500 5.799 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.639 -1.638 5.012 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.927 -3.229 6.641 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.812 -2.059 7.941 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.277 -1.452 6.842 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.777 -4.478 7.927 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.316 -5.221 8.376 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.268 -2.412 7.425 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.298 -4.048 8.091 1.00 0.00 H new ATOM 956 N LEU A 70 2.203 0.371 5.906 1.00 0.00 N ATOM 957 CA LEU A 70 3.224 0.962 5.059 1.00 0.00 C ATOM 958 C LEU A 70 4.218 -0.121 4.633 1.00 0.00 C ATOM 959 O LEU A 70 4.703 -0.114 3.502 1.00 0.00 O ATOM 960 CB LEU A 70 3.879 2.155 5.760 1.00 0.00 C ATOM 961 CG LEU A 70 5.195 1.866 6.486 1.00 0.00 C ATOM 962 CD1 LEU A 70 6.349 1.728 5.492 1.00 0.00 C ATOM 963 CD2 LEU A 70 5.478 2.929 7.549 1.00 0.00 C ATOM 0 H LEU A 70 1.982 0.907 6.745 1.00 0.00 H new ATOM 0 HA LEU A 70 2.777 1.362 4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.059 2.933 5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.170 2.561 6.482 1.00 0.00 H new ATOM 0 HG LEU A 70 5.099 0.911 7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.273 1.523 6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.141 0.908 4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.457 2.655 4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.419 2.701 8.050 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.548 3.908 7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.670 2.937 8.280 1.00 0.00 H new ATOM 974 N GLU A 71 4.491 -1.026 5.561 1.00 0.00 N ATOM 975 CA GLU A 71 5.417 -2.114 5.296 1.00 0.00 C ATOM 976 C GLU A 71 4.756 -3.170 4.408 1.00 0.00 C ATOM 977 O GLU A 71 5.423 -3.809 3.595 1.00 0.00 O ATOM 978 CB GLU A 71 5.923 -2.733 6.600 1.00 0.00 C ATOM 979 CG GLU A 71 5.376 -4.149 6.784 1.00 0.00 C ATOM 980 CD GLU A 71 5.987 -4.818 8.017 1.00 0.00 C ATOM 981 OE1 GLU A 71 5.982 -4.161 9.080 1.00 0.00 O ATOM 982 OE2 GLU A 71 6.444 -5.972 7.868 1.00 0.00 O ATOM 0 H GLU A 71 4.087 -1.028 6.498 1.00 0.00 H new ATOM 0 HA GLU A 71 6.279 -1.710 4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.013 -2.758 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.622 -2.111 7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.291 -4.113 6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.594 -4.745 5.897 1.00 0.00 H new ATOM 987 N MET A 72 3.453 -3.321 4.594 1.00 0.00 N ATOM 988 CA MET A 72 2.694 -4.290 3.821 1.00 0.00 C ATOM 989 C MET A 72 2.715 -3.938 2.331 1.00 0.00 C ATOM 990 O MET A 72 3.147 -4.742 1.507 1.00 0.00 O ATOM 991 CB MET A 72 1.247 -4.319 4.317 1.00 0.00 C ATOM 992 CG MET A 72 0.994 -5.547 5.193 1.00 0.00 C ATOM 993 SD MET A 72 1.173 -7.036 4.224 1.00 0.00 S ATOM 994 CE MET A 72 2.554 -7.790 5.067 1.00 0.00 C ATOM 0 H MET A 72 2.903 -2.789 5.269 1.00 0.00 H new ATOM 0 HA MET A 72 3.152 -5.270 3.952 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.035 -3.413 4.884 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.567 -4.329 3.465 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.696 -5.560 6.027 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.008 -5.499 5.620 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.068 -8.470 4.388 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.246 -7.015 5.397 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.193 -8.346 5.932 1.00 0.00 H new ATOM 1002 N TYR A 73 2.244 -2.737 2.032 1.00 0.00 N ATOM 1003 CA TYR A 73 2.202 -2.270 0.657 1.00 0.00 C ATOM 1004 C TYR A 73 3.569 -1.740 0.218 1.00 0.00 C ATOM 1005 O TYR A 73 3.905 -1.784 -0.965 1.00 0.00 O ATOM 1006 CB TYR A 73 1.190 -1.123 0.630 1.00 0.00 C ATOM 1007 CG TYR A 73 0.769 -0.697 -0.777 1.00 0.00 C ATOM 1008 CD1 TYR A 73 0.969 -1.550 -1.844 1.00 0.00 C ATOM 1009 CD2 TYR A 73 0.190 0.539 -0.980 1.00 0.00 C ATOM 1010 CE1 TYR A 73 0.572 -1.148 -3.170 1.00 0.00 C ATOM 1011 CE2 TYR A 73 -0.207 0.939 -2.305 1.00 0.00 C ATOM 1012 CZ TYR A 73 0.004 0.076 -3.335 1.00 0.00 C ATOM 1013 OH TYR A 73 -0.371 0.455 -4.586 1.00 0.00 O ATOM 0 H TYR A 73 1.888 -2.072 2.719 1.00 0.00 H new ATOM 0 HA TYR A 73 1.929 -3.082 -0.016 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.303 -1.422 1.189 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.617 -0.263 1.146 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.422 -2.517 -1.685 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.035 1.206 -0.145 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.722 -1.805 -4.014 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.662 1.903 -2.477 1.00 0.00 H new ATOM 0 HH TYR A 73 0.003 1.338 -4.786 1.00 0.00 H new ATOM 1022 N CYS A 74 4.320 -1.250 1.193 1.00 0.00 N ATOM 1023 CA CYS A 74 5.641 -0.712 0.922 1.00 0.00 C ATOM 1024 C CYS A 74 5.947 -0.913 -0.563 1.00 0.00 C ATOM 1025 O CYS A 74 7.019 -1.400 -0.920 1.00 0.00 O ATOM 1026 CB CYS A 74 6.706 -1.350 1.816 1.00 0.00 C ATOM 1027 SG CYS A 74 8.212 -0.339 2.058 1.00 0.00 S ATOM 0 H CYS A 74 4.038 -1.215 2.173 1.00 0.00 H new ATOM 0 HA CYS A 74 5.657 0.353 1.154 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.265 -1.558 2.791 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.995 -2.309 1.386 1.00 0.00 H new ATOM 1031 N ALA A 75 4.986 -0.529 -1.390 1.00 0.00 N ATOM 1032 CA ALA A 75 5.138 -0.661 -2.828 1.00 0.00 C ATOM 1033 C ALA A 75 6.582 -0.336 -3.216 1.00 0.00 C ATOM 1034 O ALA A 75 6.948 0.832 -3.339 1.00 0.00 O ATOM 1035 CB ALA A 75 4.127 0.244 -3.535 1.00 0.00 C ATOM 0 H ALA A 75 4.098 -0.126 -1.091 1.00 0.00 H new ATOM 0 HA ALA A 75 4.934 -1.685 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.242 0.144 -4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.116 -0.047 -3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.302 1.280 -3.246 1.00 0.00 H new ATOM 1041 N PRO A 76 7.385 -1.418 -3.402 1.00 0.00 N ATOM 1042 CA PRO A 76 8.782 -1.259 -3.773 1.00 0.00 C ATOM 1043 C PRO A 76 8.916 -0.863 -5.244 1.00 0.00 C ATOM 1044 O PRO A 76 10.001 -0.499 -5.696 1.00 0.00 O ATOM 1045 CB PRO A 76 9.427 -2.598 -3.457 1.00 0.00 C ATOM 1046 CG PRO A 76 8.287 -3.599 -3.359 1.00 0.00 C ATOM 1047 CD PRO A 76 6.987 -2.816 -3.265 1.00 0.00 C ATOM 0 HA PRO A 76 9.275 -0.456 -3.225 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.132 -2.885 -4.237 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.986 -2.551 -2.523 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.277 -4.253 -4.231 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.413 -4.237 -2.484 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.291 -3.108 -4.051 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.486 -2.994 -2.313 1.00 0.00 H new ATOM 1052 N LEU A 77 7.799 -0.947 -5.951 1.00 0.00 N ATOM 1053 CA LEU A 77 7.778 -0.602 -7.363 1.00 0.00 C ATOM 1054 C LEU A 77 8.733 0.568 -7.611 1.00 0.00 C ATOM 1055 O LEU A 77 8.382 1.723 -7.374 1.00 0.00 O ATOM 1056 CB LEU A 77 6.346 -0.336 -7.828 1.00 0.00 C ATOM 1057 CG LEU A 77 6.100 -0.444 -9.335 1.00 0.00 C ATOM 1058 CD1 LEU A 77 6.490 -1.828 -9.857 1.00 0.00 C ATOM 1059 CD2 LEU A 77 4.652 -0.089 -9.681 1.00 0.00 C ATOM 0 H LEU A 77 6.901 -1.249 -5.573 1.00 0.00 H new ATOM 0 HA LEU A 77 8.134 -1.438 -7.965 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.684 -1.037 -7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.059 0.664 -7.504 1.00 0.00 H new ATOM 0 HG LEU A 77 6.739 0.282 -9.838 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.305 -1.878 -10.930 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.548 -2.005 -9.662 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.895 -2.589 -9.351 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.504 -0.174 -10.758 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.977 -0.773 -9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.443 0.933 -9.365 1.00 0.00 H new ATOM 1070 N LYS A 78 9.924 0.228 -8.085 1.00 0.00 N ATOM 1071 CA LYS A 78 10.931 1.236 -8.368 1.00 0.00 C ATOM 1072 C LYS A 78 10.533 2.009 -9.627 1.00 0.00 C ATOM 1073 O LYS A 78 10.474 3.238 -9.612 1.00 0.00 O ATOM 1074 CB LYS A 78 12.318 0.597 -8.452 1.00 0.00 C ATOM 1075 CG LYS A 78 13.331 1.372 -7.606 1.00 0.00 C ATOM 1076 CD LYS A 78 13.969 2.503 -8.415 1.00 0.00 C ATOM 1077 CE LYS A 78 13.571 3.870 -7.853 1.00 0.00 C ATOM 1078 NZ LYS A 78 13.771 4.926 -8.871 1.00 0.00 N ATOM 0 H LYS A 78 10.213 -0.731 -8.280 1.00 0.00 H new ATOM 0 HA LYS A 78 10.986 1.959 -7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.268 -0.436 -8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.649 0.573 -9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.836 1.784 -6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.106 0.694 -7.248 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.054 2.400 -8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.659 2.430 -9.457 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.527 3.851 -7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.166 4.093 -6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.496 5.847 -8.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.772 4.954 -9.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.185 4.720 -9.705 1.00 0.00 H new ATOM 1088 N PRO A 79 10.265 1.239 -10.714 1.00 0.00 N ATOM 1089 CA PRO A 79 9.874 1.839 -11.979 1.00 0.00 C ATOM 1090 C PRO A 79 8.427 2.332 -11.928 1.00 0.00 C ATOM 1091 O PRO A 79 7.597 1.761 -11.222 1.00 0.00 O ATOM 1092 CB PRO A 79 10.094 0.749 -13.015 1.00 0.00 C ATOM 1093 CG PRO A 79 10.154 -0.558 -12.241 1.00 0.00 C ATOM 1094 CD PRO A 79 10.325 -0.219 -10.769 1.00 0.00 C ATOM 0 HA PRO A 79 10.459 2.726 -12.223 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.284 0.734 -13.744 1.00 0.00 H new ATOM 0 HB3 PRO A 79 11.018 0.917 -13.569 1.00 0.00 H new ATOM 0 HG2 PRO A 79 9.243 -1.136 -12.397 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.984 -1.171 -12.591 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.538 -0.671 -10.165 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.275 -0.591 -10.385 1.00 0.00 H new ATOM 1099 N ALA A 80 8.169 3.388 -12.685 1.00 0.00 N ATOM 1100 CA ALA A 80 6.835 3.965 -12.735 1.00 0.00 C ATOM 1101 C ALA A 80 6.713 4.846 -13.980 1.00 0.00 C ATOM 1102 O ALA A 80 5.994 4.504 -14.918 1.00 0.00 O ATOM 1103 CB ALA A 80 6.566 4.740 -11.444 1.00 0.00 C ATOM 0 H ALA A 80 8.860 3.859 -13.269 1.00 0.00 H new ATOM 0 HA ALA A 80 6.080 3.182 -12.809 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.566 5.173 -11.481 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.637 4.064 -10.592 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.302 5.537 -11.338 1.00 0.00 H new ATOM 1109 N LYS A 81 7.424 5.962 -13.948 1.00 0.00 N ATOM 1110 CA LYS A 81 7.404 6.895 -15.063 1.00 0.00 C ATOM 1111 C LYS A 81 8.318 8.080 -14.748 1.00 0.00 C ATOM 1112 O LYS A 81 8.007 9.219 -15.095 1.00 0.00 O ATOM 1113 CB LYS A 81 5.966 7.299 -15.397 1.00 0.00 C ATOM 1114 CG LYS A 81 5.246 7.838 -14.159 1.00 0.00 C ATOM 1115 CD LYS A 81 4.546 9.163 -14.466 1.00 0.00 C ATOM 1116 CE LYS A 81 3.067 8.940 -14.789 1.00 0.00 C ATOM 1117 NZ LYS A 81 2.594 9.946 -15.766 1.00 0.00 N ATOM 0 H LYS A 81 8.018 6.242 -13.168 1.00 0.00 H new ATOM 0 HA LYS A 81 7.795 6.421 -15.963 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.970 8.058 -16.179 1.00 0.00 H new ATOM 0 HB3 LYS A 81 5.425 6.439 -15.791 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.515 7.108 -13.812 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.963 7.980 -13.350 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.638 9.834 -13.612 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.036 9.651 -15.308 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.924 7.937 -15.192 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.475 9.004 -13.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.589 9.781 -15.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.713 10.899 -15.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.147 9.865 -16.643 1.00 0.00 H new ATOM 1127 N SER A 82 9.428 7.773 -14.093 1.00 0.00 N ATOM 1128 CA SER A 82 10.390 8.799 -13.728 1.00 0.00 C ATOM 1129 C SER A 82 10.273 9.989 -14.681 1.00 0.00 C ATOM 1130 O SER A 82 10.504 9.852 -15.882 1.00 0.00 O ATOM 1131 CB SER A 82 11.816 8.246 -13.740 1.00 0.00 C ATOM 1132 OG SER A 82 12.791 9.285 -13.717 1.00 0.00 O ATOM 0 H SER A 82 9.683 6.828 -13.806 1.00 0.00 H new ATOM 0 HA SER A 82 10.167 9.132 -12.714 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.960 7.595 -12.878 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.960 7.633 -14.630 1.00 0.00 H new ATOM 0 HG SER A 82 13.689 8.892 -13.724 1.00 0.00 H new ATOM 1137 N ALA A 83 9.916 11.131 -14.111 1.00 0.00 N ATOM 1138 CA ALA A 83 9.766 12.344 -14.896 1.00 0.00 C ATOM 1139 C ALA A 83 11.019 13.208 -14.736 1.00 0.00 C ATOM 1140 O ALA A 83 10.924 14.394 -14.425 1.00 0.00 O ATOM 1141 CB ALA A 83 8.494 13.077 -14.466 1.00 0.00 C ATOM 0 H ALA A 83 9.726 11.241 -13.115 1.00 0.00 H new ATOM 0 HA ALA A 83 9.663 12.105 -15.955 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.382 13.987 -15.055 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.630 12.432 -14.627 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.562 13.335 -13.409 1.00 0.00 H new TER 1147 ALA A 83