USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 884 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 18 CYS SG : rot 140:sc= 0.708 USER MOD Set 1.2: A 73 TYR OH : rot 170:sc= 0.832 USER MOD Single : A 10 TYR OH : rot 150:sc= -0.159 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 105:sc= 1.21 USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.87 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0052 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -123:sc= -0.0145 (180deg=-1.18) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 93:sc= 1.25 USER MOD Single : A 57 THR OG1 : rot -29:sc= 0.644 USER MOD Single : A 69 SER OG : rot -100:sc=-0.00441 USER MOD Single : A 77 THR OG1 : rot 85:sc= 1.48 USER MOD Single : A 78 MET CE :methyl -179:sc= -0.693 (180deg=-0.7) USER MOD Single : A 82 THR OG1 : rot 80:sc= 1.21 USER MOD Single : A 84 SER OG : rot -150:sc= 0.165 USER MOD Single : A 88 THR OG1 : rot 86:sc= 1.02 USER MOD Single : A 93 ASN : amide:sc= 0.271 X(o=0.27,f=-0.023) USER MOD Single : A 116 MET CE :methyl 163:sc= -3.24 (180deg=-5.58!) USER MOD Single : A 121 CYS SG : rot 81:sc= 0.591 USER MOD Single : A 125 THR OG1 : rot 99:sc= 0.86 USER MOD ----------------------------------------------------------------- ATOM 64 N LEU A 8 -5.653 -7.425 -2.076 1.00 51.42 N ATOM 65 CA LEU A 8 -6.604 -8.438 -1.631 1.00 44.13 C ATOM 66 C LEU A 8 -5.893 -9.750 -1.316 1.00 62.33 C ATOM 67 O LEU A 8 -6.303 -10.492 -0.423 1.00 41.31 O ATOM 68 CB LEU A 8 -7.672 -8.668 -2.701 1.00 54.43 C ATOM 69 CG LEU A 8 -9.043 -9.119 -2.195 1.00 41.11 C ATOM 70 CD1 LEU A 8 -8.951 -10.501 -1.567 1.00 13.34 C ATOM 71 CD2 LEU A 8 -9.601 -8.113 -1.198 1.00 63.42 C ATOM 0 HA LEU A 8 -7.083 -8.077 -0.721 1.00 44.13 H new ATOM 0 HB2 LEU A 8 -7.801 -7.743 -3.262 1.00 54.43 H new ATOM 0 HB3 LEU A 8 -7.301 -9.417 -3.401 1.00 54.43 H new ATOM 0 HG LEU A 8 -9.724 -9.173 -3.045 1.00 41.11 H new ATOM 0 HD11 LEU A 8 -9.936 -10.806 -1.213 1.00 13.34 H new ATOM 0 HD12 LEU A 8 -8.596 -11.215 -2.310 1.00 13.34 H new ATOM 0 HD13 LEU A 8 -8.256 -10.474 -0.728 1.00 13.34 H new ATOM 0 HD21 LEU A 8 -10.577 -8.450 -0.849 1.00 63.42 H new ATOM 0 HD22 LEU A 8 -8.922 -8.026 -0.350 1.00 63.42 H new ATOM 0 HD23 LEU A 8 -9.704 -7.141 -1.681 1.00 63.42 H new ATOM 83 N PHE A 9 -4.824 -10.030 -2.054 1.00 62.25 N ATOM 84 CA PHE A 9 -4.055 -11.253 -1.853 1.00 44.43 C ATOM 85 C PHE A 9 -3.670 -11.418 -0.386 1.00 12.11 C ATOM 86 O PHE A 9 -3.575 -12.536 0.120 1.00 33.41 O ATOM 87 CB PHE A 9 -2.796 -11.237 -2.723 1.00 71.53 C ATOM 88 CG PHE A 9 -1.603 -11.865 -2.062 1.00 64.51 C ATOM 89 CD1 PHE A 9 -1.530 -13.239 -1.894 1.00 42.12 C ATOM 90 CD2 PHE A 9 -0.554 -11.082 -1.608 1.00 23.32 C ATOM 91 CE1 PHE A 9 -0.433 -13.820 -1.286 1.00 62.15 C ATOM 92 CE2 PHE A 9 0.546 -11.658 -1.000 1.00 11.22 C ATOM 93 CZ PHE A 9 0.606 -13.028 -0.838 1.00 31.22 C ATOM 0 H PHE A 9 -4.470 -9.427 -2.797 1.00 62.25 H new ATOM 0 HA PHE A 9 -4.680 -12.098 -2.144 1.00 44.43 H new ATOM 0 HB2 PHE A 9 -3.002 -11.761 -3.656 1.00 71.53 H new ATOM 0 HB3 PHE A 9 -2.557 -10.206 -2.983 1.00 71.53 H new ATOM 0 HD1 PHE A 9 -2.340 -13.863 -2.242 1.00 42.12 H new ATOM 0 HD2 PHE A 9 -0.596 -10.010 -1.730 1.00 23.32 H new ATOM 0 HE1 PHE A 9 -0.388 -14.892 -1.161 1.00 62.15 H new ATOM 0 HE2 PHE A 9 1.358 -11.037 -0.652 1.00 11.22 H new ATOM 0 HZ PHE A 9 1.464 -13.479 -0.362 1.00 31.22 H new ATOM 103 N TYR A 10 -3.450 -10.297 0.291 1.00 5.24 N ATOM 104 CA TYR A 10 -3.072 -10.316 1.700 1.00 74.23 C ATOM 105 C TYR A 10 -4.282 -10.606 2.584 1.00 63.55 C ATOM 106 O TYR A 10 -4.164 -11.251 3.626 1.00 32.41 O ATOM 107 CB TYR A 10 -2.444 -8.980 2.099 1.00 25.44 C ATOM 108 CG TYR A 10 -1.879 -8.972 3.502 1.00 20.51 C ATOM 109 CD1 TYR A 10 -1.204 -10.077 4.007 1.00 43.23 C ATOM 110 CD2 TYR A 10 -2.020 -7.860 4.322 1.00 13.14 C ATOM 111 CE1 TYR A 10 -0.687 -10.074 5.288 1.00 71.01 C ATOM 112 CE2 TYR A 10 -1.506 -7.848 5.604 1.00 4.34 C ATOM 113 CZ TYR A 10 -0.840 -8.957 6.083 1.00 74.23 C ATOM 114 OH TYR A 10 -0.326 -8.950 7.359 1.00 60.00 O ATOM 0 H TYR A 10 -3.527 -9.363 -0.112 1.00 5.24 H new ATOM 0 HA TYR A 10 -2.340 -11.111 1.843 1.00 74.23 H new ATOM 0 HB2 TYR A 10 -1.649 -8.737 1.394 1.00 25.44 H new ATOM 0 HB3 TYR A 10 -3.195 -8.195 2.014 1.00 25.44 H new ATOM 0 HD1 TYR A 10 -1.082 -10.953 3.387 1.00 43.23 H new ATOM 0 HD2 TYR A 10 -2.541 -6.990 3.951 1.00 13.14 H new ATOM 0 HE1 TYR A 10 -0.166 -10.941 5.665 1.00 71.01 H new ATOM 0 HE2 TYR A 10 -1.625 -6.975 6.228 1.00 4.34 H new ATOM 0 HH TYR A 10 -0.078 -8.035 7.607 1.00 60.00 H new ATOM 124 N THR A 11 -5.446 -10.126 2.159 1.00 51.43 N ATOM 125 CA THR A 11 -6.678 -10.332 2.910 1.00 41.32 C ATOM 126 C THR A 11 -7.077 -11.803 2.918 1.00 10.13 C ATOM 127 O THR A 11 -7.672 -12.289 3.881 1.00 43.30 O ATOM 128 CB THR A 11 -7.837 -9.501 2.328 1.00 43.54 C ATOM 129 OG1 THR A 11 -7.792 -8.167 2.847 1.00 14.13 O ATOM 130 CG2 THR A 11 -9.178 -10.135 2.660 1.00 35.50 C ATOM 0 H THR A 11 -5.562 -9.591 1.298 1.00 51.43 H new ATOM 0 HA THR A 11 -6.484 -10.005 3.931 1.00 41.32 H new ATOM 0 HB THR A 11 -7.726 -9.473 1.244 1.00 43.54 H new ATOM 0 HG1 THR A 11 -8.531 -7.645 2.471 1.00 14.13 H new ATOM 0 HG21 THR A 11 -9.981 -9.530 2.238 1.00 35.50 H new ATOM 0 HG22 THR A 11 -9.220 -11.139 2.238 1.00 35.50 H new ATOM 0 HG23 THR A 11 -9.296 -10.191 3.742 1.00 35.50 H new ATOM 138 N ILE A 12 -6.746 -12.507 1.841 1.00 21.13 N ATOM 139 CA ILE A 12 -7.069 -13.924 1.727 1.00 43.13 C ATOM 140 C ILE A 12 -6.054 -14.781 2.475 1.00 23.30 C ATOM 141 O ILE A 12 -6.369 -15.881 2.927 1.00 65.43 O ATOM 142 CB ILE A 12 -7.117 -14.373 0.254 1.00 1.03 C ATOM 143 CG1 ILE A 12 -7.968 -13.405 -0.569 1.00 53.53 C ATOM 144 CG2 ILE A 12 -7.665 -15.789 0.150 1.00 44.50 C ATOM 145 CD1 ILE A 12 -9.423 -13.378 -0.157 1.00 34.21 C ATOM 0 H ILE A 12 -6.255 -12.120 1.035 1.00 21.13 H new ATOM 0 HA ILE A 12 -8.054 -14.060 2.173 1.00 43.13 H new ATOM 0 HB ILE A 12 -6.103 -14.366 -0.146 1.00 1.03 H new ATOM 0 HG12 ILE A 12 -7.554 -12.401 -0.476 1.00 53.53 H new ATOM 0 HG13 ILE A 12 -7.902 -13.681 -1.621 1.00 53.53 H new ATOM 0 HG21 ILE A 12 -7.693 -16.092 -0.897 1.00 44.50 H new ATOM 0 HG22 ILE A 12 -7.022 -16.470 0.708 1.00 44.50 H new ATOM 0 HG23 ILE A 12 -8.673 -15.820 0.564 1.00 44.50 H new ATOM 0 HD11 ILE A 12 -9.965 -12.670 -0.783 1.00 34.21 H new ATOM 0 HD12 ILE A 12 -9.854 -14.372 -0.277 1.00 34.21 H new ATOM 0 HD13 ILE A 12 -9.500 -13.072 0.886 1.00 34.21 H new ATOM 157 N ASN A 13 -4.834 -14.268 2.604 1.00 74.34 N ATOM 158 CA ASN A 13 -3.772 -14.987 3.299 1.00 54.42 C ATOM 159 C ASN A 13 -3.878 -14.787 4.808 1.00 72.34 C ATOM 160 O ASN A 13 -3.296 -15.543 5.587 1.00 13.12 O ATOM 161 CB ASN A 13 -2.403 -14.516 2.806 1.00 64.03 C ATOM 162 CG ASN A 13 -1.395 -15.647 2.732 1.00 41.03 C ATOM 163 OD1 ASN A 13 -1.368 -16.407 1.763 1.00 3.43 O ATOM 164 ND2 ASN A 13 -0.560 -15.764 3.758 1.00 14.30 N ATOM 0 H ASN A 13 -4.557 -13.358 2.237 1.00 74.34 H new ATOM 0 HA ASN A 13 -3.883 -16.049 3.082 1.00 54.42 H new ATOM 0 HB2 ASN A 13 -2.511 -14.064 1.820 1.00 64.03 H new ATOM 0 HB3 ASN A 13 -2.027 -13.740 3.473 1.00 64.03 H new ATOM 0 HD21 ASN A 13 0.140 -16.506 3.764 1.00 14.30 H new ATOM 0 HD22 ASN A 13 -0.618 -15.112 4.540 1.00 14.30 H new ATOM 171 N LEU A 14 -4.625 -13.766 5.213 1.00 62.01 N ATOM 172 CA LEU A 14 -4.808 -13.467 6.629 1.00 53.11 C ATOM 173 C LEU A 14 -6.055 -14.156 7.174 1.00 71.10 C ATOM 174 O LEU A 14 -6.120 -14.501 8.354 1.00 5.03 O ATOM 175 CB LEU A 14 -4.913 -11.956 6.842 1.00 41.33 C ATOM 176 CG LEU A 14 -3.618 -11.162 6.665 1.00 51.22 C ATOM 177 CD1 LEU A 14 -3.900 -9.668 6.696 1.00 5.44 C ATOM 178 CD2 LEU A 14 -2.610 -11.539 7.740 1.00 21.33 C ATOM 0 H LEU A 14 -5.114 -13.131 4.581 1.00 62.01 H new ATOM 0 HA LEU A 14 -3.940 -13.845 7.170 1.00 53.11 H new ATOM 0 HB2 LEU A 14 -5.655 -11.562 6.148 1.00 41.33 H new ATOM 0 HB3 LEU A 14 -5.291 -11.776 7.848 1.00 41.33 H new ATOM 0 HG LEU A 14 -3.192 -11.410 5.693 1.00 51.22 H new ATOM 0 HD11 LEU A 14 -2.967 -9.119 6.569 1.00 5.44 H new ATOM 0 HD12 LEU A 14 -4.586 -9.410 5.889 1.00 5.44 H new ATOM 0 HD13 LEU A 14 -4.350 -9.402 7.653 1.00 5.44 H new ATOM 0 HD21 LEU A 14 -1.695 -10.964 7.598 1.00 21.33 H new ATOM 0 HD22 LEU A 14 -3.027 -11.320 8.723 1.00 21.33 H new ATOM 0 HD23 LEU A 14 -2.385 -12.603 7.670 1.00 21.33 H new ATOM 190 N ILE A 15 -7.042 -14.355 6.307 1.00 64.44 N ATOM 191 CA ILE A 15 -8.285 -15.007 6.701 1.00 43.54 C ATOM 192 C ILE A 15 -8.102 -16.516 6.817 1.00 3.12 C ATOM 193 O ILE A 15 -8.724 -17.163 7.660 1.00 63.41 O ATOM 194 CB ILE A 15 -9.416 -14.714 5.697 1.00 11.15 C ATOM 195 CG1 ILE A 15 -10.740 -15.289 6.206 1.00 2.54 C ATOM 196 CG2 ILE A 15 -9.074 -15.288 4.331 1.00 42.12 C ATOM 197 CD1 ILE A 15 -11.242 -14.622 7.468 1.00 75.31 C ATOM 0 H ILE A 15 -7.005 -14.074 5.327 1.00 64.44 H new ATOM 0 HA ILE A 15 -8.559 -14.601 7.675 1.00 43.54 H new ATOM 0 HB ILE A 15 -9.524 -13.634 5.599 1.00 11.15 H new ATOM 0 HG12 ILE A 15 -11.495 -15.188 5.426 1.00 2.54 H new ATOM 0 HG13 ILE A 15 -10.616 -16.356 6.393 1.00 2.54 H new ATOM 0 HG21 ILE A 15 -9.883 -15.073 3.633 1.00 42.12 H new ATOM 0 HG22 ILE A 15 -8.151 -14.836 3.967 1.00 42.12 H new ATOM 0 HG23 ILE A 15 -8.943 -16.367 4.412 1.00 42.12 H new ATOM 0 HD11 ILE A 15 -12.184 -15.079 7.771 1.00 75.31 H new ATOM 0 HD12 ILE A 15 -10.506 -14.746 8.262 1.00 75.31 H new ATOM 0 HD13 ILE A 15 -11.398 -13.560 7.281 1.00 75.31 H new ATOM 209 N ILE A 16 -7.243 -17.070 5.967 1.00 14.44 N ATOM 210 CA ILE A 16 -6.976 -18.502 5.977 1.00 32.52 C ATOM 211 C ILE A 16 -6.617 -18.985 7.378 1.00 30.15 C ATOM 212 O ILE A 16 -7.263 -19.869 7.942 1.00 0.32 O ATOM 213 CB ILE A 16 -5.834 -18.869 5.012 1.00 44.33 C ATOM 214 CG1 ILE A 16 -6.389 -19.158 3.616 1.00 72.32 C ATOM 215 CG2 ILE A 16 -5.059 -20.067 5.539 1.00 62.45 C ATOM 216 CD1 ILE A 16 -5.332 -19.163 2.534 1.00 72.02 C ATOM 0 H ILE A 16 -6.721 -16.548 5.263 1.00 14.44 H new ATOM 0 HA ILE A 16 -7.891 -18.995 5.648 1.00 32.52 H new ATOM 0 HB ILE A 16 -5.151 -18.022 4.942 1.00 44.33 H new ATOM 0 HG12 ILE A 16 -6.891 -20.126 3.627 1.00 72.32 H new ATOM 0 HG13 ILE A 16 -7.144 -18.410 3.372 1.00 72.32 H new ATOM 0 HG21 ILE A 16 -4.255 -20.314 4.846 1.00 62.45 H new ATOM 0 HG22 ILE A 16 -4.636 -19.826 6.514 1.00 62.45 H new ATOM 0 HG23 ILE A 16 -5.730 -20.921 5.635 1.00 62.45 H new ATOM 0 HD11 ILE A 16 -5.798 -19.375 1.571 1.00 72.02 H new ATOM 0 HD12 ILE A 16 -4.846 -18.188 2.496 1.00 72.02 H new ATOM 0 HD13 ILE A 16 -4.590 -19.930 2.754 1.00 72.02 H new ATOM 228 N PRO A 17 -5.562 -18.391 7.957 1.00 75.14 N ATOM 229 CA PRO A 17 -5.095 -18.743 9.301 1.00 44.43 C ATOM 230 C PRO A 17 -6.066 -18.296 10.388 1.00 72.21 C ATOM 231 O PRO A 17 -6.138 -18.903 11.457 1.00 24.41 O ATOM 232 CB PRO A 17 -3.770 -17.986 9.424 1.00 3.01 C ATOM 233 CG PRO A 17 -3.900 -16.837 8.484 1.00 34.44 C ATOM 234 CD PRO A 17 -4.746 -17.330 7.343 1.00 71.41 C ATOM 0 HA PRO A 17 -5.001 -19.821 9.431 1.00 44.43 H new ATOM 0 HB2 PRO A 17 -3.603 -17.645 10.446 1.00 3.01 H new ATOM 0 HB3 PRO A 17 -2.925 -18.621 9.158 1.00 3.01 H new ATOM 0 HG2 PRO A 17 -4.366 -15.982 8.974 1.00 34.44 H new ATOM 0 HG3 PRO A 17 -2.922 -16.508 8.132 1.00 34.44 H new ATOM 0 HD2 PRO A 17 -5.366 -16.535 6.930 1.00 71.41 H new ATOM 0 HD3 PRO A 17 -4.135 -17.715 6.527 1.00 71.41 H new ATOM 242 N CYS A 18 -6.812 -17.233 10.108 1.00 30.30 N ATOM 243 CA CYS A 18 -7.780 -16.706 11.063 1.00 0.41 C ATOM 244 C CYS A 18 -8.707 -17.808 11.563 1.00 74.41 C ATOM 245 O CYS A 18 -9.042 -17.864 12.747 1.00 10.11 O ATOM 246 CB CYS A 18 -8.600 -15.584 10.423 1.00 23.23 C ATOM 247 SG CYS A 18 -8.768 -14.111 11.457 1.00 13.45 S ATOM 0 H CYS A 18 -6.765 -16.720 9.228 1.00 30.30 H new ATOM 0 HA CYS A 18 -7.231 -16.305 11.915 1.00 0.41 H new ATOM 0 HB2 CYS A 18 -8.134 -15.301 9.479 1.00 23.23 H new ATOM 0 HB3 CYS A 18 -9.594 -15.964 10.187 1.00 23.23 H new ATOM 0 HG CYS A 18 -8.662 -13.047 10.717 1.00 13.45 H new ATOM 253 N LEU A 19 -9.121 -18.684 10.653 1.00 11.42 N ATOM 254 CA LEU A 19 -10.012 -19.785 11.001 1.00 71.22 C ATOM 255 C LEU A 19 -9.231 -20.946 11.608 1.00 72.54 C ATOM 256 O LEU A 19 -9.652 -21.540 12.601 1.00 14.15 O ATOM 257 CB LEU A 19 -10.775 -20.260 9.763 1.00 60.10 C ATOM 258 CG LEU A 19 -11.080 -19.192 8.712 1.00 71.31 C ATOM 259 CD1 LEU A 19 -11.931 -19.773 7.593 1.00 44.33 C ATOM 260 CD2 LEU A 19 -11.777 -18.000 9.350 1.00 10.51 C ATOM 0 H LEU A 19 -8.854 -18.653 9.669 1.00 11.42 H new ATOM 0 HA LEU A 19 -10.724 -19.423 11.743 1.00 71.22 H new ATOM 0 HB2 LEU A 19 -10.199 -21.054 9.288 1.00 60.10 H new ATOM 0 HB3 LEU A 19 -11.717 -20.701 10.088 1.00 60.10 H new ATOM 0 HG LEU A 19 -10.137 -18.850 8.284 1.00 71.31 H new ATOM 0 HD11 LEU A 19 -12.138 -18.999 6.854 1.00 44.33 H new ATOM 0 HD12 LEU A 19 -11.395 -20.594 7.117 1.00 44.33 H new ATOM 0 HD13 LEU A 19 -12.870 -20.143 8.005 1.00 44.33 H new ATOM 0 HD21 LEU A 19 -11.986 -17.250 8.587 1.00 10.51 H new ATOM 0 HD22 LEU A 19 -12.712 -18.326 9.805 1.00 10.51 H new ATOM 0 HD23 LEU A 19 -11.132 -17.569 10.116 1.00 10.51 H new ATOM 272 N LEU A 20 -8.091 -21.265 11.005 1.00 1.41 N ATOM 273 CA LEU A 20 -7.249 -22.354 11.487 1.00 3.13 C ATOM 274 C LEU A 20 -6.957 -22.199 12.976 1.00 15.25 C ATOM 275 O LEU A 20 -7.028 -23.165 13.736 1.00 20.15 O ATOM 276 CB LEU A 20 -5.937 -22.397 10.701 1.00 31.12 C ATOM 277 CG LEU A 20 -5.567 -23.747 10.086 1.00 32.45 C ATOM 278 CD1 LEU A 20 -6.483 -24.070 8.916 1.00 11.11 C ATOM 279 CD2 LEU A 20 -4.111 -23.751 9.644 1.00 54.24 C ATOM 0 H LEU A 20 -7.729 -20.785 10.181 1.00 1.41 H new ATOM 0 HA LEU A 20 -7.787 -23.290 11.336 1.00 3.13 H new ATOM 0 HB2 LEU A 20 -5.992 -21.659 9.901 1.00 31.12 H new ATOM 0 HB3 LEU A 20 -5.129 -22.089 11.365 1.00 31.12 H new ATOM 0 HG LEU A 20 -5.697 -24.518 10.845 1.00 32.45 H new ATOM 0 HD11 LEU A 20 -6.204 -25.034 8.491 1.00 11.11 H new ATOM 0 HD12 LEU A 20 -7.516 -24.111 9.263 1.00 11.11 H new ATOM 0 HD13 LEU A 20 -6.387 -23.296 8.154 1.00 11.11 H new ATOM 0 HD21 LEU A 20 -3.866 -24.720 9.209 1.00 54.24 H new ATOM 0 HD22 LEU A 20 -3.954 -22.969 8.901 1.00 54.24 H new ATOM 0 HD23 LEU A 20 -3.469 -23.567 10.505 1.00 54.24 H new ATOM 291 N ILE A 21 -6.632 -20.977 13.386 1.00 34.54 N ATOM 292 CA ILE A 21 -6.334 -20.696 14.785 1.00 12.21 C ATOM 293 C ILE A 21 -7.608 -20.660 15.622 1.00 31.25 C ATOM 294 O ILE A 21 -7.603 -21.034 16.795 1.00 21.03 O ATOM 295 CB ILE A 21 -5.591 -19.356 14.944 1.00 54.04 C ATOM 296 CG1 ILE A 21 -6.466 -18.202 14.450 1.00 11.43 C ATOM 297 CG2 ILE A 21 -4.272 -19.389 14.187 1.00 51.03 C ATOM 298 CD1 ILE A 21 -5.685 -16.948 14.123 1.00 23.35 C ATOM 0 H ILE A 21 -6.568 -20.167 12.770 1.00 34.54 H new ATOM 0 HA ILE A 21 -5.692 -21.503 15.139 1.00 12.21 H new ATOM 0 HB ILE A 21 -5.377 -19.199 16.001 1.00 54.04 H new ATOM 0 HG12 ILE A 21 -7.010 -18.524 13.562 1.00 11.43 H new ATOM 0 HG13 ILE A 21 -7.210 -17.969 15.212 1.00 11.43 H new ATOM 0 HG21 ILE A 21 -3.759 -18.435 14.309 1.00 51.03 H new ATOM 0 HG22 ILE A 21 -3.647 -20.191 14.580 1.00 51.03 H new ATOM 0 HG23 ILE A 21 -4.464 -19.565 13.129 1.00 51.03 H new ATOM 0 HD11 ILE A 21 -6.369 -16.172 13.779 1.00 23.35 H new ATOM 0 HD12 ILE A 21 -5.163 -16.602 15.015 1.00 23.35 H new ATOM 0 HD13 ILE A 21 -4.960 -17.165 13.339 1.00 23.35 H new ATOM 310 N SER A 22 -8.699 -20.210 15.011 1.00 10.43 N ATOM 311 CA SER A 22 -9.981 -20.123 15.701 1.00 60.31 C ATOM 312 C SER A 22 -10.507 -21.513 16.046 1.00 23.23 C ATOM 313 O SER A 22 -10.728 -21.832 17.215 1.00 33.31 O ATOM 314 CB SER A 22 -11.001 -19.380 14.835 1.00 24.44 C ATOM 315 OG SER A 22 -10.744 -17.987 14.827 1.00 4.11 O ATOM 0 H SER A 22 -8.721 -19.900 14.040 1.00 10.43 H new ATOM 0 HA SER A 22 -9.830 -19.570 16.628 1.00 60.31 H new ATOM 0 HB2 SER A 22 -10.967 -19.765 13.816 1.00 24.44 H new ATOM 0 HB3 SER A 22 -12.007 -19.565 15.212 1.00 24.44 H new ATOM 0 HG SER A 22 -10.337 -17.734 13.972 1.00 4.11 H new ATOM 321 N CYS A 23 -10.704 -22.335 15.022 1.00 70.42 N ATOM 322 CA CYS A 23 -11.205 -23.692 15.215 1.00 4.33 C ATOM 323 C CYS A 23 -10.298 -24.477 16.158 1.00 40.43 C ATOM 324 O CYS A 23 -10.765 -25.312 16.933 1.00 2.13 O ATOM 325 CB CYS A 23 -11.312 -24.414 13.872 1.00 71.42 C ATOM 326 SG CYS A 23 -12.975 -25.009 13.484 1.00 31.25 S ATOM 0 H CYS A 23 -10.525 -22.086 14.049 1.00 70.42 H new ATOM 0 HA CYS A 23 -12.196 -23.627 15.664 1.00 4.33 H new ATOM 0 HB2 CYS A 23 -10.986 -23.738 13.081 1.00 71.42 H new ATOM 0 HB3 CYS A 23 -10.625 -25.261 13.871 1.00 71.42 H new ATOM 0 HG CYS A 23 -12.964 -25.604 12.328 1.00 31.25 H new ATOM 332 N LEU A 24 -9.000 -24.204 16.084 1.00 21.25 N ATOM 333 CA LEU A 24 -8.026 -24.886 16.930 1.00 31.02 C ATOM 334 C LEU A 24 -8.423 -24.794 18.400 1.00 23.12 C ATOM 335 O LEU A 24 -8.509 -25.806 19.096 1.00 31.52 O ATOM 336 CB LEU A 24 -6.635 -24.284 16.727 1.00 63.11 C ATOM 337 CG LEU A 24 -5.547 -25.251 16.259 1.00 62.24 C ATOM 338 CD1 LEU A 24 -4.499 -24.518 15.435 1.00 33.22 C ATOM 339 CD2 LEU A 24 -4.902 -25.946 17.449 1.00 1.43 C ATOM 0 H LEU A 24 -8.598 -23.516 15.448 1.00 21.25 H new ATOM 0 HA LEU A 24 -8.005 -25.937 16.643 1.00 31.02 H new ATOM 0 HB2 LEU A 24 -6.713 -23.477 15.999 1.00 63.11 H new ATOM 0 HB3 LEU A 24 -6.314 -23.835 17.667 1.00 63.11 H new ATOM 0 HG LEU A 24 -6.010 -26.010 15.628 1.00 62.24 H new ATOM 0 HD11 LEU A 24 -3.733 -25.222 15.111 1.00 33.22 H new ATOM 0 HD12 LEU A 24 -4.972 -24.069 14.562 1.00 33.22 H new ATOM 0 HD13 LEU A 24 -4.040 -23.737 16.041 1.00 33.22 H new ATOM 0 HD21 LEU A 24 -4.130 -26.630 17.096 1.00 1.43 H new ATOM 0 HD22 LEU A 24 -4.454 -25.201 18.106 1.00 1.43 H new ATOM 0 HD23 LEU A 24 -5.659 -26.505 17.998 1.00 1.43 H new ATOM 351 N THR A 25 -8.665 -23.573 18.867 1.00 33.33 N ATOM 352 CA THR A 25 -9.054 -23.349 20.254 1.00 42.31 C ATOM 353 C THR A 25 -10.329 -24.110 20.598 1.00 25.40 C ATOM 354 O THR A 25 -10.451 -24.677 21.684 1.00 71.31 O ATOM 355 CB THR A 25 -9.271 -21.851 20.541 1.00 41.01 C ATOM 356 OG1 THR A 25 -8.178 -21.088 20.017 1.00 21.33 O ATOM 357 CG2 THR A 25 -9.401 -21.600 22.036 1.00 52.24 C ATOM 0 H THR A 25 -8.598 -22.724 18.305 1.00 33.33 H new ATOM 0 HA THR A 25 -8.237 -23.716 20.875 1.00 42.31 H new ATOM 0 HB THR A 25 -10.196 -21.541 20.055 1.00 41.01 H new ATOM 0 HG1 THR A 25 -8.325 -20.137 20.202 1.00 21.33 H new ATOM 0 HG21 THR A 25 -9.554 -20.536 22.214 1.00 52.24 H new ATOM 0 HG22 THR A 25 -10.252 -22.159 22.426 1.00 52.24 H new ATOM 0 HG23 THR A 25 -8.491 -21.926 22.540 1.00 52.24 H new ATOM 365 N VAL A 26 -11.276 -24.121 19.666 1.00 52.31 N ATOM 366 CA VAL A 26 -12.542 -24.815 19.870 1.00 21.12 C ATOM 367 C VAL A 26 -12.331 -26.321 19.980 1.00 51.05 C ATOM 368 O VAL A 26 -12.975 -26.992 20.787 1.00 22.13 O ATOM 369 CB VAL A 26 -13.531 -24.528 18.725 1.00 62.03 C ATOM 370 CG1 VAL A 26 -14.703 -25.496 18.776 1.00 13.42 C ATOM 371 CG2 VAL A 26 -14.015 -23.087 18.788 1.00 63.23 C ATOM 0 H VAL A 26 -11.191 -23.657 18.762 1.00 52.31 H new ATOM 0 HA VAL A 26 -12.961 -24.440 20.804 1.00 21.12 H new ATOM 0 HB VAL A 26 -13.014 -24.672 17.777 1.00 62.03 H new ATOM 0 HG11 VAL A 26 -15.391 -25.278 17.959 1.00 13.42 H new ATOM 0 HG12 VAL A 26 -14.336 -26.518 18.678 1.00 13.42 H new ATOM 0 HG13 VAL A 26 -15.223 -25.388 19.728 1.00 13.42 H new ATOM 0 HG21 VAL A 26 -14.713 -22.902 17.972 1.00 63.23 H new ATOM 0 HG22 VAL A 26 -14.516 -22.913 19.740 1.00 63.23 H new ATOM 0 HG23 VAL A 26 -13.163 -22.413 18.697 1.00 63.23 H new ATOM 381 N LEU A 27 -11.426 -26.847 19.162 1.00 5.22 N ATOM 382 CA LEU A 27 -11.128 -28.275 19.167 1.00 74.03 C ATOM 383 C LEU A 27 -10.815 -28.762 20.578 1.00 41.50 C ATOM 384 O LEU A 27 -11.433 -29.704 21.073 1.00 72.13 O ATOM 385 CB LEU A 27 -9.950 -28.574 18.238 1.00 2.35 C ATOM 386 CG LEU A 27 -10.191 -29.640 17.170 1.00 62.25 C ATOM 387 CD1 LEU A 27 -10.416 -31.000 17.813 1.00 13.50 C ATOM 388 CD2 LEU A 27 -11.376 -29.259 16.294 1.00 63.41 C ATOM 0 H LEU A 27 -10.886 -26.306 18.487 1.00 5.22 H new ATOM 0 HA LEU A 27 -12.010 -28.806 18.807 1.00 74.03 H new ATOM 0 HB2 LEU A 27 -9.662 -27.648 17.740 1.00 2.35 H new ATOM 0 HB3 LEU A 27 -9.102 -28.885 18.848 1.00 2.35 H new ATOM 0 HG LEU A 27 -9.304 -29.702 16.540 1.00 62.25 H new ATOM 0 HD11 LEU A 27 -10.586 -31.746 17.037 1.00 13.50 H new ATOM 0 HD12 LEU A 27 -9.538 -31.277 18.396 1.00 13.50 H new ATOM 0 HD13 LEU A 27 -11.286 -30.953 18.468 1.00 13.50 H new ATOM 0 HD21 LEU A 27 -11.533 -30.029 15.539 1.00 63.41 H new ATOM 0 HD22 LEU A 27 -12.270 -29.168 16.911 1.00 63.41 H new ATOM 0 HD23 LEU A 27 -11.175 -28.306 15.804 1.00 63.41 H new ATOM 400 N VAL A 28 -9.851 -28.111 21.222 1.00 15.34 N ATOM 401 CA VAL A 28 -9.458 -28.475 22.578 1.00 1.44 C ATOM 402 C VAL A 28 -10.661 -28.488 23.515 1.00 61.52 C ATOM 403 O VAL A 28 -10.828 -29.410 24.314 1.00 15.21 O ATOM 404 CB VAL A 28 -8.399 -27.504 23.135 1.00 71.31 C ATOM 405 CG1 VAL A 28 -8.402 -27.526 24.656 1.00 51.41 C ATOM 406 CG2 VAL A 28 -7.021 -27.851 22.591 1.00 13.13 C ATOM 0 H VAL A 28 -9.328 -27.329 20.827 1.00 15.34 H new ATOM 0 HA VAL A 28 -9.031 -29.477 22.525 1.00 1.44 H new ATOM 0 HB VAL A 28 -8.649 -26.494 22.810 1.00 71.31 H new ATOM 0 HG11 VAL A 28 -7.648 -26.834 25.031 1.00 51.41 H new ATOM 0 HG12 VAL A 28 -9.384 -27.226 25.022 1.00 51.41 H new ATOM 0 HG13 VAL A 28 -8.176 -28.533 25.006 1.00 51.41 H new ATOM 0 HG21 VAL A 28 -6.285 -27.156 22.994 1.00 13.13 H new ATOM 0 HG22 VAL A 28 -6.759 -28.867 22.885 1.00 13.13 H new ATOM 0 HG23 VAL A 28 -7.030 -27.779 21.503 1.00 13.13 H new ATOM 416 N PHE A 29 -11.497 -27.461 23.410 1.00 0.12 N ATOM 417 CA PHE A 29 -12.686 -27.354 24.248 1.00 24.02 C ATOM 418 C PHE A 29 -13.576 -28.583 24.088 1.00 12.32 C ATOM 419 O PHE A 29 -14.092 -29.121 25.068 1.00 21.01 O ATOM 420 CB PHE A 29 -13.473 -26.090 23.895 1.00 24.21 C ATOM 421 CG PHE A 29 -13.654 -25.154 25.055 1.00 14.41 C ATOM 422 CD1 PHE A 29 -12.558 -24.663 25.745 1.00 45.33 C ATOM 423 CD2 PHE A 29 -14.922 -24.764 25.456 1.00 33.42 C ATOM 424 CE1 PHE A 29 -12.721 -23.800 26.812 1.00 32.24 C ATOM 425 CE2 PHE A 29 -15.092 -23.902 26.523 1.00 51.03 C ATOM 426 CZ PHE A 29 -13.990 -23.420 27.202 1.00 34.35 C ATOM 0 H PHE A 29 -11.373 -26.691 22.753 1.00 0.12 H new ATOM 0 HA PHE A 29 -12.363 -27.294 25.287 1.00 24.02 H new ATOM 0 HB2 PHE A 29 -12.959 -25.564 23.091 1.00 24.21 H new ATOM 0 HB3 PHE A 29 -14.453 -26.376 23.513 1.00 24.21 H new ATOM 0 HD1 PHE A 29 -11.563 -24.958 25.445 1.00 45.33 H new ATOM 0 HD2 PHE A 29 -15.787 -25.138 24.929 1.00 33.42 H new ATOM 0 HE1 PHE A 29 -11.857 -23.423 27.340 1.00 32.24 H new ATOM 0 HE2 PHE A 29 -16.086 -23.606 26.825 1.00 51.03 H new ATOM 0 HZ PHE A 29 -14.121 -22.747 28.037 1.00 34.35 H new ATOM 436 N TYR A 30 -13.752 -29.020 22.846 1.00 34.24 N ATOM 437 CA TYR A 30 -14.583 -30.183 22.556 1.00 22.14 C ATOM 438 C TYR A 30 -13.840 -31.477 22.877 1.00 12.53 C ATOM 439 O TYR A 30 -14.450 -32.536 23.028 1.00 52.11 O ATOM 440 CB TYR A 30 -15.009 -30.178 21.088 1.00 54.25 C ATOM 441 CG TYR A 30 -16.252 -30.995 20.815 1.00 62.42 C ATOM 442 CD1 TYR A 30 -17.418 -30.787 21.542 1.00 45.02 C ATOM 443 CD2 TYR A 30 -16.260 -31.977 19.831 1.00 3.44 C ATOM 444 CE1 TYR A 30 -18.555 -31.532 21.297 1.00 41.13 C ATOM 445 CE2 TYR A 30 -17.393 -32.725 19.578 1.00 22.35 C ATOM 446 CZ TYR A 30 -18.538 -32.499 20.314 1.00 63.42 C ATOM 447 OH TYR A 30 -19.668 -33.244 20.066 1.00 60.11 O ATOM 0 H TYR A 30 -13.331 -28.587 22.024 1.00 34.24 H new ATOM 0 HA TYR A 30 -15.471 -30.129 23.185 1.00 22.14 H new ATOM 0 HB2 TYR A 30 -15.184 -29.149 20.773 1.00 54.25 H new ATOM 0 HB3 TYR A 30 -14.191 -30.563 20.480 1.00 54.25 H new ATOM 0 HD1 TYR A 30 -17.435 -30.030 22.312 1.00 45.02 H new ATOM 0 HD2 TYR A 30 -15.365 -32.158 19.255 1.00 3.44 H new ATOM 0 HE1 TYR A 30 -19.452 -31.358 21.872 1.00 41.13 H new ATOM 0 HE2 TYR A 30 -17.383 -33.483 18.808 1.00 22.35 H new ATOM 0 HH TYR A 30 -19.488 -33.880 19.343 1.00 60.11 H new ATOM 457 N LEU A 31 -12.519 -31.382 22.981 1.00 32.13 N ATOM 458 CA LEU A 31 -11.691 -32.544 23.285 1.00 3.31 C ATOM 459 C LEU A 31 -10.658 -32.211 24.358 1.00 53.35 C ATOM 460 O LEU A 31 -9.460 -32.113 24.092 1.00 72.04 O ATOM 461 CB LEU A 31 -10.987 -33.038 22.020 1.00 73.11 C ATOM 462 CG LEU A 31 -10.156 -34.313 22.169 1.00 75.25 C ATOM 463 CD1 LEU A 31 -11.058 -35.510 22.428 1.00 62.31 C ATOM 464 CD2 LEU A 31 -9.305 -34.543 20.928 1.00 14.21 C ATOM 0 H LEU A 31 -11.999 -30.513 22.859 1.00 32.13 H new ATOM 0 HA LEU A 31 -12.341 -33.333 23.664 1.00 3.31 H new ATOM 0 HB2 LEU A 31 -11.741 -33.207 21.251 1.00 73.11 H new ATOM 0 HB3 LEU A 31 -10.335 -32.243 21.657 1.00 73.11 H new ATOM 0 HG LEU A 31 -9.491 -34.193 23.024 1.00 75.25 H new ATOM 0 HD11 LEU A 31 -10.450 -36.408 22.531 1.00 62.31 H new ATOM 0 HD12 LEU A 31 -11.624 -35.347 23.345 1.00 62.31 H new ATOM 0 HD13 LEU A 31 -11.748 -35.633 21.593 1.00 62.31 H new ATOM 0 HD21 LEU A 31 -8.720 -35.455 21.052 1.00 14.21 H new ATOM 0 HD22 LEU A 31 -9.952 -34.642 20.056 1.00 14.21 H new ATOM 0 HD23 LEU A 31 -8.632 -33.697 20.786 1.00 14.21 H new ATOM 476 N PRO A 32 -11.131 -32.034 25.600 1.00 34.01 N ATOM 477 CA PRO A 32 -10.266 -31.712 26.738 1.00 24.24 C ATOM 478 C PRO A 32 -9.375 -32.883 27.139 1.00 70.43 C ATOM 479 O PRO A 32 -9.786 -34.041 27.065 1.00 21.43 O ATOM 480 CB PRO A 32 -11.258 -31.388 27.858 1.00 3.21 C ATOM 481 CG PRO A 32 -12.497 -32.129 27.492 1.00 32.15 C ATOM 482 CD PRO A 32 -12.548 -32.135 25.990 1.00 61.44 C ATOM 0 HA PRO A 32 -9.579 -30.897 26.509 1.00 24.24 H new ATOM 0 HB2 PRO A 32 -10.878 -31.707 28.828 1.00 3.21 H new ATOM 0 HB3 PRO A 32 -11.443 -30.316 27.925 1.00 3.21 H new ATOM 0 HG2 PRO A 32 -12.474 -33.145 27.886 1.00 32.15 H new ATOM 0 HG3 PRO A 32 -13.379 -31.645 27.910 1.00 32.15 H new ATOM 0 HD2 PRO A 32 -13.006 -33.047 25.607 1.00 61.44 H new ATOM 0 HD3 PRO A 32 -13.132 -31.299 25.604 1.00 61.44 H new ATOM 490 N SER A 33 -8.154 -32.574 27.563 1.00 63.43 N ATOM 491 CA SER A 33 -7.204 -33.602 27.972 1.00 63.23 C ATOM 492 C SER A 33 -6.011 -32.983 28.694 1.00 42.03 C ATOM 493 O SER A 33 -5.959 -31.771 28.902 1.00 70.33 O ATOM 494 CB SER A 33 -6.722 -34.395 26.755 1.00 34.00 C ATOM 495 OG SER A 33 -6.032 -35.567 27.151 1.00 65.21 O ATOM 0 H SER A 33 -7.799 -31.620 27.632 1.00 63.43 H new ATOM 0 HA SER A 33 -7.712 -34.278 28.659 1.00 63.23 H new ATOM 0 HB2 SER A 33 -7.575 -34.664 26.132 1.00 34.00 H new ATOM 0 HB3 SER A 33 -6.067 -33.771 26.147 1.00 34.00 H new ATOM 0 HG SER A 33 -5.736 -36.057 26.356 1.00 65.21 H new ATOM 501 N GLU A 34 -5.054 -33.825 29.073 1.00 15.21 N ATOM 502 CA GLU A 34 -3.862 -33.360 29.773 1.00 72.55 C ATOM 503 C GLU A 34 -4.235 -32.649 31.070 1.00 30.21 C ATOM 504 O GLU A 34 -5.402 -32.625 31.464 1.00 42.21 O ATOM 505 CB GLU A 34 -3.052 -32.420 28.877 1.00 34.32 C ATOM 506 CG GLU A 34 -1.569 -32.746 28.837 1.00 42.00 C ATOM 507 CD GLU A 34 -1.265 -33.984 28.016 1.00 74.21 C ATOM 508 OE1 GLU A 34 -1.135 -33.858 26.780 1.00 22.52 O ATOM 509 OE2 GLU A 34 -1.159 -35.078 28.608 1.00 22.23 O ATOM 0 H GLU A 34 -5.081 -34.831 28.907 1.00 15.21 H new ATOM 0 HA GLU A 34 -3.253 -34.230 30.019 1.00 72.55 H new ATOM 0 HB2 GLU A 34 -3.452 -32.463 27.864 1.00 34.32 H new ATOM 0 HB3 GLU A 34 -3.181 -31.396 29.228 1.00 34.32 H new ATOM 0 HG2 GLU A 34 -1.025 -31.897 28.422 1.00 42.00 H new ATOM 0 HG3 GLU A 34 -1.205 -32.891 29.854 1.00 42.00 H new ATOM 516 N CYS A 35 -3.236 -32.073 31.730 1.00 55.35 N ATOM 517 CA CYS A 35 -3.458 -31.362 32.984 1.00 51.22 C ATOM 518 C CYS A 35 -3.624 -29.866 32.739 1.00 51.43 C ATOM 519 O CYS A 35 -4.461 -29.213 33.361 1.00 31.32 O ATOM 520 CB CYS A 35 -2.295 -31.607 33.946 1.00 61.42 C ATOM 521 SG CYS A 35 -2.800 -31.888 35.659 1.00 74.51 S ATOM 0 H CYS A 35 -2.265 -32.084 31.418 1.00 55.35 H new ATOM 0 HA CYS A 35 -4.376 -31.743 33.431 1.00 51.22 H new ATOM 0 HB2 CYS A 35 -1.727 -32.470 33.600 1.00 61.42 H new ATOM 0 HB3 CYS A 35 -1.623 -30.749 33.913 1.00 61.42 H new ATOM 0 HG CYS A 35 -1.747 -32.088 36.395 1.00 74.51 H new ATOM 527 N GLY A 36 -2.819 -29.327 31.828 1.00 62.21 N ATOM 528 CA GLY A 36 -2.891 -27.911 31.518 1.00 70.30 C ATOM 529 C GLY A 36 -2.806 -27.639 30.029 1.00 5.44 C ATOM 530 O GLY A 36 -2.415 -26.548 29.614 1.00 65.54 O ATOM 0 H GLY A 36 -2.118 -29.846 31.299 1.00 62.21 H new ATOM 0 HA2 GLY A 36 -3.825 -27.504 31.906 1.00 70.30 H new ATOM 0 HA3 GLY A 36 -2.080 -27.389 32.027 1.00 70.30 H new ATOM 534 N GLU A 37 -3.171 -28.632 29.225 1.00 23.22 N ATOM 535 CA GLU A 37 -3.131 -28.494 27.774 1.00 4.32 C ATOM 536 C GLU A 37 -3.995 -27.323 27.315 1.00 4.53 C ATOM 537 O GLU A 37 -3.772 -26.753 26.247 1.00 52.13 O ATOM 538 CB GLU A 37 -3.604 -29.785 27.103 1.00 10.31 C ATOM 539 CG GLU A 37 -4.141 -29.578 25.697 1.00 73.11 C ATOM 540 CD GLU A 37 -4.468 -30.884 24.999 1.00 23.33 C ATOM 541 OE1 GLU A 37 -4.942 -31.818 25.679 1.00 72.10 O ATOM 542 OE2 GLU A 37 -4.249 -30.972 23.773 1.00 65.11 O ATOM 0 H GLU A 37 -3.498 -29.541 29.554 1.00 23.22 H new ATOM 0 HA GLU A 37 -2.099 -28.299 27.482 1.00 4.32 H new ATOM 0 HB2 GLU A 37 -2.774 -30.490 27.066 1.00 10.31 H new ATOM 0 HB3 GLU A 37 -4.382 -30.240 27.717 1.00 10.31 H new ATOM 0 HG2 GLU A 37 -5.038 -28.960 25.742 1.00 73.11 H new ATOM 0 HG3 GLU A 37 -3.405 -29.030 25.108 1.00 73.11 H new ATOM 549 N LYS A 38 -4.982 -26.968 28.131 1.00 72.54 N ATOM 550 CA LYS A 38 -5.881 -25.865 27.811 1.00 24.51 C ATOM 551 C LYS A 38 -5.183 -24.523 28.003 1.00 51.42 C ATOM 552 O LYS A 38 -5.313 -23.621 27.174 1.00 72.42 O ATOM 553 CB LYS A 38 -7.134 -25.931 28.687 1.00 24.03 C ATOM 554 CG LYS A 38 -8.296 -26.657 28.033 1.00 53.12 C ATOM 555 CD LYS A 38 -7.986 -28.129 27.820 1.00 43.03 C ATOM 556 CE LYS A 38 -8.067 -28.910 29.122 1.00 35.03 C ATOM 557 NZ LYS A 38 -9.471 -29.040 29.604 1.00 5.43 N ATOM 0 H LYS A 38 -5.180 -27.428 29.019 1.00 72.54 H new ATOM 0 HA LYS A 38 -6.172 -25.957 26.765 1.00 24.51 H new ATOM 0 HB2 LYS A 38 -6.886 -26.430 29.624 1.00 24.03 H new ATOM 0 HB3 LYS A 38 -7.445 -24.917 28.938 1.00 24.03 H new ATOM 0 HG2 LYS A 38 -9.185 -26.558 28.656 1.00 53.12 H new ATOM 0 HG3 LYS A 38 -8.525 -26.190 27.075 1.00 53.12 H new ATOM 0 HD2 LYS A 38 -8.687 -28.549 27.099 1.00 43.03 H new ATOM 0 HD3 LYS A 38 -6.989 -28.234 27.393 1.00 43.03 H new ATOM 0 HE2 LYS A 38 -7.639 -29.902 28.978 1.00 35.03 H new ATOM 0 HE3 LYS A 38 -7.466 -28.411 29.883 1.00 35.03 H new ATOM 0 HZ1 LYS A 38 -9.546 -28.648 30.564 1.00 5.43 H new ATOM 0 HZ2 LYS A 38 -10.107 -28.519 28.966 1.00 5.43 H new ATOM 0 HZ3 LYS A 38 -9.742 -30.044 29.618 1.00 5.43 H new ATOM 571 N ILE A 39 -4.443 -24.397 29.099 1.00 44.22 N ATOM 572 CA ILE A 39 -3.723 -23.165 29.397 1.00 40.34 C ATOM 573 C ILE A 39 -2.689 -22.857 28.318 1.00 33.44 C ATOM 574 O ILE A 39 -2.680 -21.769 27.743 1.00 54.24 O ATOM 575 CB ILE A 39 -3.016 -23.242 30.763 1.00 41.14 C ATOM 576 CG1 ILE A 39 -4.046 -23.320 31.891 1.00 13.10 C ATOM 577 CG2 ILE A 39 -2.102 -22.041 30.955 1.00 50.24 C ATOM 578 CD1 ILE A 39 -4.192 -24.705 32.482 1.00 41.14 C ATOM 0 H ILE A 39 -4.326 -25.133 29.796 1.00 44.22 H new ATOM 0 HA ILE A 39 -4.464 -22.366 29.425 1.00 40.34 H new ATOM 0 HB ILE A 39 -2.407 -24.145 30.790 1.00 41.14 H new ATOM 0 HG12 ILE A 39 -3.761 -22.625 32.681 1.00 13.10 H new ATOM 0 HG13 ILE A 39 -5.014 -22.992 31.512 1.00 13.10 H new ATOM 0 HG21 ILE A 39 -1.610 -22.110 31.925 1.00 50.24 H new ATOM 0 HG22 ILE A 39 -1.350 -22.027 30.166 1.00 50.24 H new ATOM 0 HG23 ILE A 39 -2.691 -21.125 30.911 1.00 50.24 H new ATOM 0 HD11 ILE A 39 -4.939 -24.685 33.276 1.00 41.14 H new ATOM 0 HD12 ILE A 39 -4.507 -25.401 31.705 1.00 41.14 H new ATOM 0 HD13 ILE A 39 -3.235 -25.028 32.892 1.00 41.14 H new ATOM 590 N THR A 40 -1.819 -23.825 28.048 1.00 62.23 N ATOM 591 CA THR A 40 -0.781 -23.659 27.038 1.00 21.11 C ATOM 592 C THR A 40 -1.382 -23.284 25.688 1.00 2.04 C ATOM 593 O THR A 40 -0.813 -22.483 24.945 1.00 32.11 O ATOM 594 CB THR A 40 0.056 -24.942 26.876 1.00 35.41 C ATOM 595 OG1 THR A 40 0.803 -25.194 28.071 1.00 3.01 O ATOM 596 CG2 THR A 40 1.005 -24.824 25.693 1.00 11.23 C ATOM 0 H THR A 40 -1.813 -24.732 28.515 1.00 62.23 H new ATOM 0 HA THR A 40 -0.133 -22.852 27.381 1.00 21.11 H new ATOM 0 HB THR A 40 -0.625 -25.773 26.693 1.00 35.41 H new ATOM 0 HG1 THR A 40 1.331 -26.012 27.960 1.00 3.01 H new ATOM 0 HG21 THR A 40 1.585 -25.742 25.599 1.00 11.23 H new ATOM 0 HG22 THR A 40 0.431 -24.663 24.781 1.00 11.23 H new ATOM 0 HG23 THR A 40 1.680 -23.983 25.851 1.00 11.23 H new ATOM 604 N LEU A 41 -2.534 -23.866 25.377 1.00 74.41 N ATOM 605 CA LEU A 41 -3.214 -23.592 24.115 1.00 23.23 C ATOM 606 C LEU A 41 -3.568 -22.113 23.998 1.00 72.32 C ATOM 607 O LEU A 41 -3.331 -21.488 22.964 1.00 63.24 O ATOM 608 CB LEU A 41 -4.480 -24.443 24.000 1.00 50.40 C ATOM 609 CG LEU A 41 -5.265 -24.304 22.695 1.00 12.12 C ATOM 610 CD1 LEU A 41 -4.705 -25.238 21.633 1.00 12.34 C ATOM 611 CD2 LEU A 41 -6.742 -24.584 22.929 1.00 34.43 C ATOM 0 H LEU A 41 -3.018 -24.531 25.981 1.00 74.41 H new ATOM 0 HA LEU A 41 -2.536 -23.850 23.301 1.00 23.23 H new ATOM 0 HB2 LEU A 41 -4.203 -25.490 24.124 1.00 50.40 H new ATOM 0 HB3 LEU A 41 -5.142 -24.188 24.828 1.00 50.40 H new ATOM 0 HG LEU A 41 -5.162 -23.279 22.339 1.00 12.12 H new ATOM 0 HD11 LEU A 41 -5.276 -25.125 20.711 1.00 12.34 H new ATOM 0 HD12 LEU A 41 -3.660 -24.990 21.445 1.00 12.34 H new ATOM 0 HD13 LEU A 41 -4.777 -26.269 21.980 1.00 12.34 H new ATOM 0 HD21 LEU A 41 -7.285 -24.480 21.990 1.00 34.43 H new ATOM 0 HD22 LEU A 41 -6.864 -25.598 23.309 1.00 34.43 H new ATOM 0 HD23 LEU A 41 -7.136 -23.874 23.656 1.00 34.43 H new ATOM 623 N CYS A 42 -4.135 -21.560 25.064 1.00 52.11 N ATOM 624 CA CYS A 42 -4.521 -20.153 25.081 1.00 31.31 C ATOM 625 C CYS A 42 -3.346 -19.262 24.693 1.00 63.35 C ATOM 626 O CYS A 42 -3.503 -18.309 23.929 1.00 2.13 O ATOM 627 CB CYS A 42 -5.038 -19.762 26.466 1.00 5.43 C ATOM 628 SG CYS A 42 -4.851 -18.005 26.854 1.00 21.53 S ATOM 0 H CYS A 42 -4.338 -22.064 25.928 1.00 52.11 H new ATOM 0 HA CYS A 42 -5.317 -20.011 24.350 1.00 31.31 H new ATOM 0 HB2 CYS A 42 -6.092 -20.029 26.537 1.00 5.43 H new ATOM 0 HB3 CYS A 42 -4.509 -20.348 27.218 1.00 5.43 H new ATOM 0 HG CYS A 42 -5.318 -17.771 28.044 1.00 21.53 H new ATOM 634 N ILE A 43 -2.170 -19.578 25.224 1.00 64.43 N ATOM 635 CA ILE A 43 -0.968 -18.806 24.933 1.00 72.13 C ATOM 636 C ILE A 43 -0.550 -18.968 23.475 1.00 31.11 C ATOM 637 O ILE A 43 -0.051 -18.030 22.854 1.00 41.01 O ATOM 638 CB ILE A 43 0.204 -19.224 25.841 1.00 75.14 C ATOM 639 CG1 ILE A 43 0.026 -18.637 27.242 1.00 12.12 C ATOM 640 CG2 ILE A 43 1.527 -18.777 25.237 1.00 33.41 C ATOM 641 CD1 ILE A 43 0.898 -19.295 28.288 1.00 5.21 C ATOM 0 H ILE A 43 -2.024 -20.363 25.858 1.00 64.43 H new ATOM 0 HA ILE A 43 -1.210 -17.761 25.125 1.00 72.13 H new ATOM 0 HB ILE A 43 0.213 -20.311 25.922 1.00 75.14 H new ATOM 0 HG12 ILE A 43 0.251 -17.571 27.212 1.00 12.12 H new ATOM 0 HG13 ILE A 43 -1.019 -18.734 27.538 1.00 12.12 H new ATOM 0 HG21 ILE A 43 2.346 -19.079 25.890 1.00 33.41 H new ATOM 0 HG22 ILE A 43 1.654 -19.239 24.258 1.00 33.41 H new ATOM 0 HG23 ILE A 43 1.530 -17.692 25.130 1.00 33.41 H new ATOM 0 HD11 ILE A 43 0.719 -18.828 29.257 1.00 5.21 H new ATOM 0 HD12 ILE A 43 0.658 -20.357 28.347 1.00 5.21 H new ATOM 0 HD13 ILE A 43 1.947 -19.175 28.015 1.00 5.21 H new ATOM 653 N SER A 44 -0.759 -20.164 22.935 1.00 72.33 N ATOM 654 CA SER A 44 -0.402 -20.450 21.550 1.00 34.51 C ATOM 655 C SER A 44 -1.064 -19.455 20.602 1.00 60.22 C ATOM 656 O SER A 44 -0.387 -18.696 19.909 1.00 43.13 O ATOM 657 CB SER A 44 -0.814 -21.877 21.179 1.00 13.54 C ATOM 658 OG SER A 44 0.285 -22.607 20.663 1.00 11.12 O ATOM 0 H SER A 44 -1.174 -20.951 23.435 1.00 72.33 H new ATOM 0 HA SER A 44 0.679 -20.354 21.452 1.00 34.51 H new ATOM 0 HB2 SER A 44 -1.211 -22.384 22.058 1.00 13.54 H new ATOM 0 HB3 SER A 44 -1.614 -21.847 20.440 1.00 13.54 H new ATOM 0 HG SER A 44 -0.004 -23.515 20.435 1.00 11.12 H new ATOM 664 N VAL A 45 -2.393 -19.465 20.577 1.00 70.04 N ATOM 665 CA VAL A 45 -3.148 -18.563 19.715 1.00 71.31 C ATOM 666 C VAL A 45 -2.791 -17.108 19.996 1.00 55.15 C ATOM 667 O VAL A 45 -2.802 -16.269 19.093 1.00 31.42 O ATOM 668 CB VAL A 45 -4.666 -18.753 19.897 1.00 43.13 C ATOM 669 CG1 VAL A 45 -5.115 -20.076 19.295 1.00 4.12 C ATOM 670 CG2 VAL A 45 -5.040 -18.673 21.369 1.00 4.11 C ATOM 0 H VAL A 45 -2.969 -20.088 21.144 1.00 70.04 H new ATOM 0 HA VAL A 45 -2.880 -18.808 18.687 1.00 71.31 H new ATOM 0 HB VAL A 45 -5.181 -17.949 19.371 1.00 43.13 H new ATOM 0 HG11 VAL A 45 -6.190 -20.192 19.433 1.00 4.12 H new ATOM 0 HG12 VAL A 45 -4.883 -20.089 18.230 1.00 4.12 H new ATOM 0 HG13 VAL A 45 -4.595 -20.896 19.790 1.00 4.12 H new ATOM 0 HG21 VAL A 45 -6.116 -18.809 21.479 1.00 4.11 H new ATOM 0 HG22 VAL A 45 -4.517 -19.454 21.920 1.00 4.11 H new ATOM 0 HG23 VAL A 45 -4.756 -17.698 21.764 1.00 4.11 H new ATOM 680 N LEU A 46 -2.475 -16.814 21.252 1.00 53.22 N ATOM 681 CA LEU A 46 -2.114 -15.458 21.653 1.00 72.43 C ATOM 682 C LEU A 46 -0.784 -15.044 21.033 1.00 43.53 C ATOM 683 O LEU A 46 -0.577 -13.874 20.706 1.00 64.12 O ATOM 684 CB LEU A 46 -2.032 -15.361 23.177 1.00 21.20 C ATOM 685 CG LEU A 46 -3.057 -14.446 23.848 1.00 74.45 C ATOM 686 CD1 LEU A 46 -2.915 -13.021 23.337 1.00 14.10 C ATOM 687 CD2 LEU A 46 -4.469 -14.962 23.609 1.00 60.23 C ATOM 0 H LEU A 46 -2.461 -17.496 22.011 1.00 53.22 H new ATOM 0 HA LEU A 46 -2.888 -14.780 21.293 1.00 72.43 H new ATOM 0 HB2 LEU A 46 -2.143 -16.363 23.591 1.00 21.20 H new ATOM 0 HB3 LEU A 46 -1.034 -15.014 23.446 1.00 21.20 H new ATOM 0 HG LEU A 46 -2.868 -14.446 24.922 1.00 74.45 H new ATOM 0 HD11 LEU A 46 -3.652 -12.384 23.825 1.00 14.10 H new ATOM 0 HD12 LEU A 46 -1.913 -12.653 23.559 1.00 14.10 H new ATOM 0 HD13 LEU A 46 -3.077 -13.003 22.259 1.00 14.10 H new ATOM 0 HD21 LEU A 46 -5.186 -14.299 24.094 1.00 60.23 H new ATOM 0 HD22 LEU A 46 -4.669 -14.992 22.538 1.00 60.23 H new ATOM 0 HD23 LEU A 46 -4.565 -15.965 24.024 1.00 60.23 H new ATOM 699 N LEU A 47 0.114 -16.009 20.872 1.00 45.14 N ATOM 700 CA LEU A 47 1.425 -15.745 20.288 1.00 2.11 C ATOM 701 C LEU A 47 1.291 -15.232 18.858 1.00 62.12 C ATOM 702 O LEU A 47 1.783 -14.153 18.526 1.00 73.52 O ATOM 703 CB LEU A 47 2.280 -17.013 20.309 1.00 33.53 C ATOM 704 CG LEU A 47 3.761 -16.820 20.635 1.00 11.35 C ATOM 705 CD1 LEU A 47 4.442 -18.163 20.843 1.00 20.42 C ATOM 706 CD2 LEU A 47 4.452 -16.034 19.530 1.00 21.53 C ATOM 0 H LEU A 47 -0.041 -16.982 21.137 1.00 45.14 H new ATOM 0 HA LEU A 47 1.913 -14.976 20.886 1.00 2.11 H new ATOM 0 HB2 LEU A 47 1.855 -17.701 21.039 1.00 33.53 H new ATOM 0 HB3 LEU A 47 2.203 -17.495 19.334 1.00 33.53 H new ATOM 0 HG LEU A 47 3.838 -16.251 21.561 1.00 11.35 H new ATOM 0 HD11 LEU A 47 5.495 -18.005 21.074 1.00 20.42 H new ATOM 0 HD12 LEU A 47 3.964 -18.689 21.669 1.00 20.42 H new ATOM 0 HD13 LEU A 47 4.355 -18.759 19.935 1.00 20.42 H new ATOM 0 HD21 LEU A 47 5.505 -15.906 19.779 1.00 21.53 H new ATOM 0 HD22 LEU A 47 4.365 -16.576 18.589 1.00 21.53 H new ATOM 0 HD23 LEU A 47 3.981 -15.056 19.430 1.00 21.53 H new ATOM 718 N SER A 48 0.621 -16.012 18.015 1.00 12.24 N ATOM 719 CA SER A 48 0.423 -15.637 16.620 1.00 21.40 C ATOM 720 C SER A 48 -0.537 -14.457 16.505 1.00 62.10 C ATOM 721 O SER A 48 -0.460 -13.669 15.562 1.00 50.14 O ATOM 722 CB SER A 48 -0.115 -16.827 15.822 1.00 11.32 C ATOM 723 OG SER A 48 -0.863 -16.392 14.700 1.00 44.52 O ATOM 0 H SER A 48 0.206 -16.907 18.274 1.00 12.24 H new ATOM 0 HA SER A 48 1.388 -15.339 16.209 1.00 21.40 H new ATOM 0 HB2 SER A 48 0.715 -17.451 15.490 1.00 11.32 H new ATOM 0 HB3 SER A 48 -0.742 -17.445 16.464 1.00 11.32 H new ATOM 0 HG SER A 48 -1.194 -17.171 14.206 1.00 44.52 H new ATOM 729 N LEU A 49 -1.441 -14.342 17.472 1.00 43.34 N ATOM 730 CA LEU A 49 -2.417 -13.258 17.481 1.00 51.25 C ATOM 731 C LEU A 49 -1.734 -11.911 17.694 1.00 44.00 C ATOM 732 O LEU A 49 -2.018 -10.940 16.992 1.00 3.43 O ATOM 733 CB LEU A 49 -3.459 -13.493 18.575 1.00 13.13 C ATOM 734 CG LEU A 49 -4.441 -12.347 18.824 1.00 31.44 C ATOM 735 CD1 LEU A 49 -5.155 -11.967 17.537 1.00 52.12 C ATOM 736 CD2 LEU A 49 -5.446 -12.731 19.901 1.00 72.14 C ATOM 0 H LEU A 49 -1.518 -14.986 18.259 1.00 43.34 H new ATOM 0 HA LEU A 49 -2.914 -13.242 16.511 1.00 51.25 H new ATOM 0 HB2 LEU A 49 -4.030 -14.385 18.319 1.00 13.13 H new ATOM 0 HB3 LEU A 49 -2.936 -13.706 19.507 1.00 13.13 H new ATOM 0 HG LEU A 49 -3.879 -11.481 19.172 1.00 31.44 H new ATOM 0 HD11 LEU A 49 -5.849 -11.150 17.734 1.00 52.12 H new ATOM 0 HD12 LEU A 49 -4.423 -11.650 16.795 1.00 52.12 H new ATOM 0 HD13 LEU A 49 -5.706 -12.828 17.158 1.00 52.12 H new ATOM 0 HD21 LEU A 49 -6.137 -11.904 20.065 1.00 72.14 H new ATOM 0 HD22 LEU A 49 -6.003 -13.611 19.581 1.00 72.14 H new ATOM 0 HD23 LEU A 49 -4.918 -12.953 20.829 1.00 72.14 H new ATOM 748 N THR A 50 -0.829 -11.860 18.667 1.00 43.23 N ATOM 749 CA THR A 50 -0.103 -10.633 18.972 1.00 35.11 C ATOM 750 C THR A 50 0.964 -10.349 17.921 1.00 31.34 C ATOM 751 O THR A 50 1.387 -9.207 17.744 1.00 10.25 O ATOM 752 CB THR A 50 0.564 -10.705 20.359 1.00 74.33 C ATOM 753 OG1 THR A 50 -0.320 -11.332 21.295 1.00 22.13 O ATOM 754 CG2 THR A 50 0.933 -9.315 20.854 1.00 22.33 C ATOM 0 H THR A 50 -0.581 -12.654 19.257 1.00 43.23 H new ATOM 0 HA THR A 50 -0.834 -9.825 18.970 1.00 35.11 H new ATOM 0 HB THR A 50 1.476 -11.295 20.270 1.00 74.33 H new ATOM 0 HG1 THR A 50 -0.132 -12.293 21.330 1.00 22.13 H new ATOM 0 HG21 THR A 50 1.402 -9.391 21.835 1.00 22.33 H new ATOM 0 HG22 THR A 50 1.628 -8.852 20.154 1.00 22.33 H new ATOM 0 HG23 THR A 50 0.033 -8.705 20.929 1.00 22.33 H new ATOM 762 N VAL A 51 1.396 -11.396 17.225 1.00 34.23 N ATOM 763 CA VAL A 51 2.413 -11.259 16.190 1.00 51.12 C ATOM 764 C VAL A 51 1.833 -10.624 14.931 1.00 62.13 C ATOM 765 O VAL A 51 2.381 -9.657 14.401 1.00 23.12 O ATOM 766 CB VAL A 51 3.031 -12.622 15.826 1.00 3.23 C ATOM 767 CG1 VAL A 51 3.531 -12.616 14.390 1.00 41.53 C ATOM 768 CG2 VAL A 51 4.156 -12.970 16.789 1.00 3.23 C ATOM 0 H VAL A 51 1.057 -12.349 17.360 1.00 34.23 H new ATOM 0 HA VAL A 51 3.191 -10.612 16.595 1.00 51.12 H new ATOM 0 HB VAL A 51 2.259 -13.386 15.913 1.00 3.23 H new ATOM 0 HG11 VAL A 51 3.964 -13.587 14.151 1.00 41.53 H new ATOM 0 HG12 VAL A 51 2.699 -12.414 13.716 1.00 41.53 H new ATOM 0 HG13 VAL A 51 4.289 -11.842 14.272 1.00 41.53 H new ATOM 0 HG21 VAL A 51 4.582 -13.936 16.517 1.00 3.23 H new ATOM 0 HG22 VAL A 51 4.930 -12.205 16.736 1.00 3.23 H new ATOM 0 HG23 VAL A 51 3.763 -13.019 17.805 1.00 3.23 H new ATOM 778 N PHE A 52 0.721 -11.174 14.456 1.00 74.22 N ATOM 779 CA PHE A 52 0.066 -10.662 13.258 1.00 73.12 C ATOM 780 C PHE A 52 -0.631 -9.335 13.544 1.00 60.01 C ATOM 781 O PHE A 52 -0.823 -8.515 12.645 1.00 75.20 O ATOM 782 CB PHE A 52 -0.948 -11.680 12.730 1.00 1.24 C ATOM 783 CG PHE A 52 -2.185 -11.051 12.156 1.00 70.23 C ATOM 784 CD1 PHE A 52 -2.155 -10.443 10.911 1.00 10.02 C ATOM 785 CD2 PHE A 52 -3.378 -11.068 12.860 1.00 1.05 C ATOM 786 CE1 PHE A 52 -3.292 -9.864 10.379 1.00 2.23 C ATOM 787 CE2 PHE A 52 -4.518 -10.491 12.334 1.00 42.14 C ATOM 788 CZ PHE A 52 -4.475 -9.887 11.092 1.00 25.01 C ATOM 0 H PHE A 52 0.254 -11.975 14.882 1.00 74.22 H new ATOM 0 HA PHE A 52 0.831 -10.495 12.500 1.00 73.12 H new ATOM 0 HB2 PHE A 52 -0.472 -12.291 11.963 1.00 1.24 H new ATOM 0 HB3 PHE A 52 -1.234 -12.350 13.541 1.00 1.24 H new ATOM 0 HD1 PHE A 52 -1.233 -10.421 10.350 1.00 10.02 H new ATOM 0 HD2 PHE A 52 -3.417 -11.538 13.832 1.00 1.05 H new ATOM 0 HE1 PHE A 52 -3.255 -9.394 9.407 1.00 2.23 H new ATOM 0 HE2 PHE A 52 -5.442 -10.512 12.893 1.00 42.14 H new ATOM 0 HZ PHE A 52 -5.364 -9.434 10.680 1.00 25.01 H new ATOM 798 N LEU A 53 -1.007 -9.131 14.801 1.00 14.43 N ATOM 799 CA LEU A 53 -1.684 -7.903 15.208 1.00 64.53 C ATOM 800 C LEU A 53 -0.787 -6.689 14.987 1.00 73.11 C ATOM 801 O LEU A 53 -1.197 -5.706 14.369 1.00 52.42 O ATOM 802 CB LEU A 53 -2.095 -7.987 16.679 1.00 63.53 C ATOM 803 CG LEU A 53 -2.124 -6.664 17.444 1.00 74.00 C ATOM 804 CD1 LEU A 53 -3.100 -5.694 16.795 1.00 22.13 C ATOM 805 CD2 LEU A 53 -2.493 -6.899 18.902 1.00 41.14 C ATOM 0 H LEU A 53 -0.855 -9.799 15.557 1.00 14.43 H new ATOM 0 HA LEU A 53 -2.577 -7.789 14.594 1.00 64.53 H new ATOM 0 HB2 LEU A 53 -3.086 -8.437 16.733 1.00 63.53 H new ATOM 0 HB3 LEU A 53 -1.409 -8.664 17.189 1.00 63.53 H new ATOM 0 HG LEU A 53 -1.128 -6.224 17.409 1.00 74.00 H new ATOM 0 HD11 LEU A 53 -3.108 -4.758 17.353 1.00 22.13 H new ATOM 0 HD12 LEU A 53 -2.792 -5.502 15.767 1.00 22.13 H new ATOM 0 HD13 LEU A 53 -4.100 -6.127 16.799 1.00 22.13 H new ATOM 0 HD21 LEU A 53 -2.509 -5.946 19.431 1.00 41.14 H new ATOM 0 HD22 LEU A 53 -3.478 -7.362 18.958 1.00 41.14 H new ATOM 0 HD23 LEU A 53 -1.756 -7.558 19.362 1.00 41.14 H new ATOM 817 N LEU A 54 0.438 -6.765 15.494 1.00 42.01 N ATOM 818 CA LEU A 54 1.395 -5.673 15.350 1.00 15.24 C ATOM 819 C LEU A 54 1.783 -5.478 13.888 1.00 12.33 C ATOM 820 O LEU A 54 1.989 -4.351 13.434 1.00 22.35 O ATOM 821 CB LEU A 54 2.644 -5.949 16.189 1.00 14.22 C ATOM 822 CG LEU A 54 3.316 -4.726 16.814 1.00 2.00 C ATOM 823 CD1 LEU A 54 2.894 -4.569 18.267 1.00 40.55 C ATOM 824 CD2 LEU A 54 4.830 -4.836 16.706 1.00 60.44 C ATOM 0 H LEU A 54 0.793 -7.571 16.009 1.00 42.01 H new ATOM 0 HA LEU A 54 0.921 -4.758 15.706 1.00 15.24 H new ATOM 0 HB2 LEU A 54 2.375 -6.639 16.989 1.00 14.22 H new ATOM 0 HB3 LEU A 54 3.374 -6.458 15.560 1.00 14.22 H new ATOM 0 HG LEU A 54 2.996 -3.840 16.266 1.00 2.00 H new ATOM 0 HD11 LEU A 54 3.382 -3.694 18.695 1.00 40.55 H new ATOM 0 HD12 LEU A 54 1.813 -4.444 18.320 1.00 40.55 H new ATOM 0 HD13 LEU A 54 3.184 -5.457 18.828 1.00 40.55 H new ATOM 0 HD21 LEU A 54 5.292 -3.957 17.156 1.00 60.44 H new ATOM 0 HD22 LEU A 54 5.168 -5.731 17.228 1.00 60.44 H new ATOM 0 HD23 LEU A 54 5.116 -4.899 15.656 1.00 60.44 H new ATOM 836 N LEU A 55 1.879 -6.581 13.155 1.00 73.12 N ATOM 837 CA LEU A 55 2.240 -6.532 11.742 1.00 11.13 C ATOM 838 C LEU A 55 1.279 -5.638 10.965 1.00 1.44 C ATOM 839 O LEU A 55 1.666 -4.997 9.988 1.00 54.35 O ATOM 840 CB LEU A 55 2.239 -7.941 11.146 1.00 53.40 C ATOM 841 CG LEU A 55 3.565 -8.421 10.555 1.00 11.52 C ATOM 842 CD1 LEU A 55 3.986 -9.737 11.189 1.00 22.21 C ATOM 843 CD2 LEU A 55 3.455 -8.565 9.044 1.00 35.04 C ATOM 0 H LEU A 55 1.712 -7.521 13.515 1.00 73.12 H new ATOM 0 HA LEU A 55 3.242 -6.111 11.663 1.00 11.13 H new ATOM 0 HB2 LEU A 55 1.936 -8.642 11.923 1.00 53.40 H new ATOM 0 HB3 LEU A 55 1.480 -7.983 10.365 1.00 53.40 H new ATOM 0 HG LEU A 55 4.329 -7.675 10.773 1.00 11.52 H new ATOM 0 HD11 LEU A 55 4.932 -10.063 10.756 1.00 22.21 H new ATOM 0 HD12 LEU A 55 4.107 -9.601 12.264 1.00 22.21 H new ATOM 0 HD13 LEU A 55 3.222 -10.492 11.002 1.00 22.21 H new ATOM 0 HD21 LEU A 55 4.408 -8.907 8.641 1.00 35.04 H new ATOM 0 HD22 LEU A 55 2.678 -9.290 8.803 1.00 35.04 H new ATOM 0 HD23 LEU A 55 3.200 -7.601 8.604 1.00 35.04 H new ATOM 855 N ILE A 56 0.027 -5.598 11.408 1.00 31.01 N ATOM 856 CA ILE A 56 -0.988 -4.779 10.756 1.00 22.43 C ATOM 857 C ILE A 56 -0.962 -3.349 11.283 1.00 5.40 C ATOM 858 O ILE A 56 -1.397 -2.417 10.605 1.00 4.02 O ATOM 859 CB ILE A 56 -2.398 -5.364 10.960 1.00 52.55 C ATOM 860 CG1 ILE A 56 -2.484 -6.768 10.358 1.00 51.44 C ATOM 861 CG2 ILE A 56 -3.444 -4.450 10.338 1.00 33.13 C ATOM 862 CD1 ILE A 56 -2.153 -6.814 8.882 1.00 3.15 C ATOM 0 H ILE A 56 -0.309 -6.123 12.215 1.00 31.01 H new ATOM 0 HA ILE A 56 -0.755 -4.775 9.691 1.00 22.43 H new ATOM 0 HB ILE A 56 -2.595 -5.436 12.030 1.00 52.55 H new ATOM 0 HG12 ILE A 56 -1.803 -7.427 10.896 1.00 51.44 H new ATOM 0 HG13 ILE A 56 -3.491 -7.158 10.509 1.00 51.44 H new ATOM 0 HG21 ILE A 56 -4.436 -4.876 10.490 1.00 33.13 H new ATOM 0 HG22 ILE A 56 -3.395 -3.468 10.808 1.00 33.13 H new ATOM 0 HG23 ILE A 56 -3.251 -4.351 9.270 1.00 33.13 H new ATOM 0 HD11 ILE A 56 -2.234 -7.840 8.523 1.00 3.15 H new ATOM 0 HD12 ILE A 56 -2.850 -6.181 8.333 1.00 3.15 H new ATOM 0 HD13 ILE A 56 -1.136 -6.454 8.726 1.00 3.15 H new ATOM 874 N THR A 57 -0.446 -3.180 12.497 1.00 52.11 N ATOM 875 CA THR A 57 -0.362 -1.863 13.115 1.00 10.12 C ATOM 876 C THR A 57 0.914 -1.141 12.699 1.00 42.41 C ATOM 877 O THR A 57 1.020 0.078 12.833 1.00 72.00 O ATOM 878 CB THR A 57 -0.406 -1.960 14.652 1.00 45.11 C ATOM 879 OG1 THR A 57 0.834 -2.480 15.145 1.00 30.12 O ATOM 880 CG2 THR A 57 -1.552 -2.851 15.106 1.00 61.04 C ATOM 0 H THR A 57 -0.080 -3.939 13.071 1.00 52.11 H new ATOM 0 HA THR A 57 -1.226 -1.296 12.769 1.00 10.12 H new ATOM 0 HB THR A 57 -0.565 -0.959 15.053 1.00 45.11 H new ATOM 0 HG1 THR A 57 1.232 -3.070 14.472 1.00 30.12 H new ATOM 0 HG21 THR A 57 -1.562 -2.904 16.195 1.00 61.04 H new ATOM 0 HG22 THR A 57 -2.497 -2.437 14.754 1.00 61.04 H new ATOM 0 HG23 THR A 57 -1.419 -3.852 14.695 1.00 61.04 H new ATOM 888 N GLU A 58 1.881 -1.900 12.193 1.00 73.40 N ATOM 889 CA GLU A 58 3.150 -1.331 11.757 1.00 2.32 C ATOM 890 C GLU A 58 3.082 -0.906 10.293 1.00 20.10 C ATOM 891 O GLU A 58 3.639 0.123 9.908 1.00 74.53 O ATOM 892 CB GLU A 58 4.282 -2.341 11.954 1.00 4.14 C ATOM 893 CG GLU A 58 4.092 -3.629 11.171 1.00 43.20 C ATOM 894 CD GLU A 58 5.216 -4.621 11.398 1.00 21.24 C ATOM 895 OE1 GLU A 58 5.351 -5.115 12.537 1.00 0.13 O ATOM 896 OE2 GLU A 58 5.960 -4.904 10.436 1.00 25.12 O ATOM 0 H GLU A 58 1.809 -2.911 12.075 1.00 73.40 H new ATOM 0 HA GLU A 58 3.350 -0.448 12.365 1.00 2.32 H new ATOM 0 HB2 GLU A 58 5.224 -1.881 11.657 1.00 4.14 H new ATOM 0 HB3 GLU A 58 4.364 -2.579 13.014 1.00 4.14 H new ATOM 0 HG2 GLU A 58 3.145 -4.087 11.457 1.00 43.20 H new ATOM 0 HG3 GLU A 58 4.026 -3.397 10.108 1.00 43.20 H new ATOM 903 N ILE A 59 2.397 -1.706 9.483 1.00 53.43 N ATOM 904 CA ILE A 59 2.255 -1.413 8.062 1.00 44.12 C ATOM 905 C ILE A 59 1.127 -0.417 7.815 1.00 3.12 C ATOM 906 O ILE A 59 1.126 0.298 6.813 1.00 55.41 O ATOM 907 CB ILE A 59 1.983 -2.692 7.248 1.00 11.20 C ATOM 908 CG1 ILE A 59 0.652 -3.317 7.670 1.00 31.33 C ATOM 909 CG2 ILE A 59 3.121 -3.685 7.426 1.00 63.33 C ATOM 910 CD1 ILE A 59 0.492 -4.755 7.227 1.00 41.41 C ATOM 0 H ILE A 59 1.932 -2.562 9.786 1.00 53.43 H new ATOM 0 HA ILE A 59 3.199 -0.977 7.734 1.00 44.12 H new ATOM 0 HB ILE A 59 1.920 -2.427 6.193 1.00 11.20 H new ATOM 0 HG12 ILE A 59 0.565 -3.268 8.755 1.00 31.33 H new ATOM 0 HG13 ILE A 59 -0.165 -2.725 7.257 1.00 31.33 H new ATOM 0 HG21 ILE A 59 2.914 -4.584 6.845 1.00 63.33 H new ATOM 0 HG22 ILE A 59 4.053 -3.236 7.081 1.00 63.33 H new ATOM 0 HG23 ILE A 59 3.213 -3.948 8.480 1.00 63.33 H new ATOM 0 HD11 ILE A 59 -0.474 -5.133 7.561 1.00 41.41 H new ATOM 0 HD12 ILE A 59 0.547 -4.809 6.140 1.00 41.41 H new ATOM 0 HD13 ILE A 59 1.288 -5.360 7.661 1.00 41.41 H new ATOM 922 N ILE A 60 0.171 -0.375 8.736 1.00 33.04 N ATOM 923 CA ILE A 60 -0.961 0.536 8.620 1.00 35.34 C ATOM 924 C ILE A 60 -1.637 0.403 7.260 1.00 64.15 C ATOM 925 O ILE A 60 -1.460 1.233 6.367 1.00 25.43 O ATOM 926 CB ILE A 60 -0.530 2.000 8.826 1.00 64.30 C ATOM 927 CG1 ILE A 60 0.319 2.131 10.093 1.00 74.04 C ATOM 928 CG2 ILE A 60 -1.749 2.906 8.902 1.00 33.14 C ATOM 929 CD1 ILE A 60 1.777 2.423 9.816 1.00 54.42 C ATOM 0 H ILE A 60 0.157 -0.961 9.571 1.00 33.04 H new ATOM 0 HA ILE A 60 -1.668 0.261 9.403 1.00 35.34 H new ATOM 0 HB ILE A 60 0.074 2.309 7.973 1.00 64.30 H new ATOM 0 HG12 ILE A 60 -0.091 2.927 10.715 1.00 74.04 H new ATOM 0 HG13 ILE A 60 0.245 1.208 10.668 1.00 74.04 H new ATOM 0 HG21 ILE A 60 -1.427 3.937 9.048 1.00 33.14 H new ATOM 0 HG22 ILE A 60 -2.317 2.831 7.975 1.00 33.14 H new ATOM 0 HG23 ILE A 60 -2.378 2.600 9.738 1.00 33.14 H new ATOM 0 HD11 ILE A 60 2.318 2.503 10.759 1.00 54.42 H new ATOM 0 HD12 ILE A 60 2.203 1.615 9.221 1.00 54.42 H new ATOM 0 HD13 ILE A 60 1.862 3.362 9.268 1.00 54.42 H new ATOM 941 N PRO A 61 -2.431 -0.665 7.095 1.00 15.11 N ATOM 942 CA PRO A 61 -3.152 -0.931 5.846 1.00 3.23 C ATOM 943 C PRO A 61 -4.278 0.068 5.603 1.00 71.22 C ATOM 944 O PRO A 61 -4.880 0.090 4.529 1.00 24.20 O ATOM 945 CB PRO A 61 -3.720 -2.337 6.057 1.00 44.42 C ATOM 946 CG PRO A 61 -3.830 -2.483 7.535 1.00 20.12 C ATOM 947 CD PRO A 61 -2.689 -1.695 8.116 1.00 42.42 C ATOM 0 HA PRO A 61 -2.503 -0.845 4.974 1.00 3.23 H new ATOM 0 HB2 PRO A 61 -4.691 -2.448 5.575 1.00 44.42 H new ATOM 0 HB3 PRO A 61 -3.064 -3.097 5.632 1.00 44.42 H new ATOM 0 HG2 PRO A 61 -4.787 -2.106 7.894 1.00 20.12 H new ATOM 0 HG3 PRO A 61 -3.770 -3.531 7.829 1.00 20.12 H new ATOM 0 HD2 PRO A 61 -2.954 -1.252 9.076 1.00 42.42 H new ATOM 0 HD3 PRO A 61 -1.813 -2.321 8.285 1.00 42.42 H new ATOM 1043 N SER A 69 -10.774 -0.594 5.733 1.00 2.12 N ATOM 1044 CA SER A 69 -9.585 -1.389 6.018 1.00 11.14 C ATOM 1045 C SER A 69 -9.885 -2.459 7.063 1.00 33.42 C ATOM 1046 O SER A 69 -10.999 -2.540 7.583 1.00 61.04 O ATOM 1047 CB SER A 69 -8.449 -0.489 6.506 1.00 5.53 C ATOM 1048 OG SER A 69 -7.295 -0.639 5.697 1.00 71.30 O ATOM 0 HA SER A 69 -9.278 -1.882 5.096 1.00 11.14 H new ATOM 0 HB2 SER A 69 -8.774 0.551 6.492 1.00 5.53 H new ATOM 0 HB3 SER A 69 -8.206 -0.733 7.540 1.00 5.53 H new ATOM 0 HG SER A 69 -6.656 -1.231 6.145 1.00 71.30 H new ATOM 1054 N ILE A 70 -8.884 -3.279 7.366 1.00 53.02 N ATOM 1055 CA ILE A 70 -9.040 -4.344 8.349 1.00 40.11 C ATOM 1056 C ILE A 70 -8.974 -3.794 9.770 1.00 74.22 C ATOM 1057 O ILE A 70 -9.336 -4.476 10.728 1.00 60.23 O ATOM 1058 CB ILE A 70 -7.960 -5.429 8.180 1.00 42.43 C ATOM 1059 CG1 ILE A 70 -8.406 -6.731 8.847 1.00 65.42 C ATOM 1060 CG2 ILE A 70 -6.637 -4.954 8.763 1.00 60.25 C ATOM 1061 CD1 ILE A 70 -7.440 -7.877 8.639 1.00 32.54 C ATOM 0 H ILE A 70 -7.957 -3.226 6.945 1.00 53.02 H new ATOM 0 HA ILE A 70 -10.020 -4.789 8.179 1.00 40.11 H new ATOM 0 HB ILE A 70 -7.819 -5.618 7.116 1.00 42.43 H new ATOM 0 HG12 ILE A 70 -8.528 -6.559 9.916 1.00 65.42 H new ATOM 0 HG13 ILE A 70 -9.383 -7.014 8.456 1.00 65.42 H new ATOM 0 HG21 ILE A 70 -5.884 -5.731 8.636 1.00 60.25 H new ATOM 0 HG22 ILE A 70 -6.316 -4.049 8.247 1.00 60.25 H new ATOM 0 HG23 ILE A 70 -6.763 -4.740 9.824 1.00 60.25 H new ATOM 0 HD11 ILE A 70 -7.820 -8.768 9.139 1.00 32.54 H new ATOM 0 HD12 ILE A 70 -7.336 -8.076 7.572 1.00 32.54 H new ATOM 0 HD13 ILE A 70 -6.468 -7.614 9.056 1.00 32.54 H new ATOM 1073 N GLY A 71 -8.511 -2.554 9.898 1.00 34.42 N ATOM 1074 CA GLY A 71 -8.409 -1.933 11.206 1.00 44.35 C ATOM 1075 C GLY A 71 -9.707 -2.002 11.984 1.00 32.03 C ATOM 1076 O GLY A 71 -9.698 -2.053 13.214 1.00 75.33 O ATOM 0 H GLY A 71 -8.205 -1.969 9.120 1.00 34.42 H new ATOM 0 HA2 GLY A 71 -7.621 -2.423 11.777 1.00 44.35 H new ATOM 0 HA3 GLY A 71 -8.115 -0.890 11.088 1.00 44.35 H new ATOM 1080 N GLU A 72 -10.826 -2.002 11.267 1.00 54.10 N ATOM 1081 CA GLU A 72 -12.139 -2.063 11.900 1.00 44.40 C ATOM 1082 C GLU A 72 -12.490 -3.496 12.287 1.00 30.23 C ATOM 1083 O GLU A 72 -13.199 -3.730 13.266 1.00 33.22 O ATOM 1084 CB GLU A 72 -13.208 -1.499 10.962 1.00 34.22 C ATOM 1085 CG GLU A 72 -12.944 -0.067 10.528 1.00 34.31 C ATOM 1086 CD GLU A 72 -13.041 0.918 11.677 1.00 70.22 C ATOM 1087 OE1 GLU A 72 -14.160 1.397 11.955 1.00 3.43 O ATOM 1088 OE2 GLU A 72 -11.997 1.209 12.297 1.00 20.34 O ATOM 0 H GLU A 72 -10.850 -1.960 10.248 1.00 54.10 H new ATOM 0 HA GLU A 72 -12.106 -1.458 12.806 1.00 44.40 H new ATOM 0 HB2 GLU A 72 -13.273 -2.132 10.077 1.00 34.22 H new ATOM 0 HB3 GLU A 72 -14.177 -1.546 11.459 1.00 34.22 H new ATOM 0 HG2 GLU A 72 -11.951 -0.003 10.083 1.00 34.31 H new ATOM 0 HG3 GLU A 72 -13.659 0.212 9.754 1.00 34.31 H new ATOM 1095 N TYR A 73 -11.989 -4.452 11.512 1.00 14.41 N ATOM 1096 CA TYR A 73 -12.252 -5.862 11.771 1.00 33.22 C ATOM 1097 C TYR A 73 -11.406 -6.369 12.935 1.00 71.30 C ATOM 1098 O TYR A 73 -11.866 -7.170 13.751 1.00 53.54 O ATOM 1099 CB TYR A 73 -11.968 -6.694 10.519 1.00 14.22 C ATOM 1100 CG TYR A 73 -11.812 -8.172 10.797 1.00 44.22 C ATOM 1101 CD1 TYR A 73 -12.922 -8.983 10.998 1.00 44.21 C ATOM 1102 CD2 TYR A 73 -10.553 -8.758 10.857 1.00 41.50 C ATOM 1103 CE1 TYR A 73 -12.783 -10.333 11.253 1.00 63.45 C ATOM 1104 CE2 TYR A 73 -10.405 -10.108 11.110 1.00 44.44 C ATOM 1105 CZ TYR A 73 -11.522 -10.891 11.307 1.00 34.12 C ATOM 1106 OH TYR A 73 -11.380 -12.236 11.559 1.00 20.41 O ATOM 0 H TYR A 73 -11.398 -4.276 10.699 1.00 14.41 H new ATOM 0 HA TYR A 73 -13.304 -5.966 12.037 1.00 33.22 H new ATOM 0 HB2 TYR A 73 -12.780 -6.551 9.806 1.00 14.22 H new ATOM 0 HB3 TYR A 73 -11.059 -6.324 10.046 1.00 14.22 H new ATOM 0 HD1 TYR A 73 -13.911 -8.550 10.954 1.00 44.21 H new ATOM 0 HD2 TYR A 73 -9.675 -8.147 10.703 1.00 41.50 H new ATOM 0 HE1 TYR A 73 -13.656 -10.949 11.409 1.00 63.45 H new ATOM 0 HE2 TYR A 73 -9.419 -10.547 11.153 1.00 44.44 H new ATOM 0 HH TYR A 73 -10.449 -12.501 11.405 1.00 20.41 H new ATOM 1116 N LEU A 74 -10.166 -5.897 13.006 1.00 73.52 N ATOM 1117 CA LEU A 74 -9.254 -6.301 14.070 1.00 63.32 C ATOM 1118 C LEU A 74 -9.533 -5.523 15.352 1.00 72.04 C ATOM 1119 O LEU A 74 -9.214 -5.980 16.450 1.00 1.31 O ATOM 1120 CB LEU A 74 -7.803 -6.085 13.634 1.00 14.32 C ATOM 1121 CG LEU A 74 -7.019 -7.344 13.262 1.00 53.40 C ATOM 1122 CD1 LEU A 74 -5.975 -7.028 12.202 1.00 74.41 C ATOM 1123 CD2 LEU A 74 -6.364 -7.948 14.495 1.00 10.14 C ATOM 0 H LEU A 74 -9.769 -5.234 12.340 1.00 73.52 H new ATOM 0 HA LEU A 74 -9.414 -7.361 14.269 1.00 63.32 H new ATOM 0 HB2 LEU A 74 -7.799 -5.412 12.777 1.00 14.32 H new ATOM 0 HB3 LEU A 74 -7.274 -5.577 14.440 1.00 14.32 H new ATOM 0 HG LEU A 74 -7.715 -8.075 12.851 1.00 53.40 H new ATOM 0 HD11 LEU A 74 -5.427 -7.936 11.949 1.00 74.41 H new ATOM 0 HD12 LEU A 74 -6.468 -6.642 11.310 1.00 74.41 H new ATOM 0 HD13 LEU A 74 -5.281 -6.280 12.586 1.00 74.41 H new ATOM 0 HD21 LEU A 74 -5.810 -8.843 14.211 1.00 10.14 H new ATOM 0 HD22 LEU A 74 -5.680 -7.223 14.936 1.00 10.14 H new ATOM 0 HD23 LEU A 74 -7.132 -8.212 15.223 1.00 10.14 H new ATOM 1135 N LEU A 75 -10.133 -4.347 15.204 1.00 2.14 N ATOM 1136 CA LEU A 75 -10.458 -3.505 16.351 1.00 72.24 C ATOM 1137 C LEU A 75 -11.539 -4.151 17.211 1.00 34.11 C ATOM 1138 O LEU A 75 -11.307 -4.481 18.374 1.00 12.13 O ATOM 1139 CB LEU A 75 -10.922 -2.125 15.880 1.00 64.40 C ATOM 1140 CG LEU A 75 -11.510 -1.212 16.956 1.00 73.02 C ATOM 1141 CD1 LEU A 75 -10.644 0.024 17.139 1.00 42.31 C ATOM 1142 CD2 LEU A 75 -12.936 -0.818 16.599 1.00 32.21 C ATOM 0 H LEU A 75 -10.404 -3.955 14.302 1.00 2.14 H new ATOM 0 HA LEU A 75 -9.558 -3.392 16.955 1.00 72.24 H new ATOM 0 HB2 LEU A 75 -10.074 -1.615 15.423 1.00 64.40 H new ATOM 0 HB3 LEU A 75 -11.670 -2.262 15.099 1.00 64.40 H new ATOM 0 HG LEU A 75 -11.530 -1.759 17.899 1.00 73.02 H new ATOM 0 HD11 LEU A 75 -11.078 0.662 17.909 1.00 42.31 H new ATOM 0 HD12 LEU A 75 -9.640 -0.276 17.440 1.00 42.31 H new ATOM 0 HD13 LEU A 75 -10.591 0.574 16.199 1.00 42.31 H new ATOM 0 HD21 LEU A 75 -13.339 -0.168 17.376 1.00 32.21 H new ATOM 0 HD22 LEU A 75 -12.940 -0.290 15.646 1.00 32.21 H new ATOM 0 HD23 LEU A 75 -13.552 -1.714 16.520 1.00 32.21 H new ATOM 1154 N PHE A 76 -12.721 -4.331 16.631 1.00 53.03 N ATOM 1155 CA PHE A 76 -13.839 -4.939 17.344 1.00 44.11 C ATOM 1156 C PHE A 76 -13.525 -6.385 17.715 1.00 64.43 C ATOM 1157 O PHE A 76 -14.032 -6.909 18.707 1.00 12.23 O ATOM 1158 CB PHE A 76 -15.107 -4.883 16.490 1.00 31.21 C ATOM 1159 CG PHE A 76 -15.333 -6.122 15.671 1.00 12.21 C ATOM 1160 CD1 PHE A 76 -14.537 -6.396 14.571 1.00 41.11 C ATOM 1161 CD2 PHE A 76 -16.343 -7.012 16.001 1.00 4.23 C ATOM 1162 CE1 PHE A 76 -14.742 -7.535 13.815 1.00 11.03 C ATOM 1163 CE2 PHE A 76 -16.552 -8.153 15.250 1.00 52.42 C ATOM 1164 CZ PHE A 76 -15.752 -8.414 14.155 1.00 41.13 C ATOM 0 H PHE A 76 -12.930 -4.064 15.669 1.00 53.03 H new ATOM 0 HA PHE A 76 -14.003 -4.374 18.262 1.00 44.11 H new ATOM 0 HB2 PHE A 76 -15.967 -4.725 17.141 1.00 31.21 H new ATOM 0 HB3 PHE A 76 -15.049 -4.022 15.824 1.00 31.21 H new ATOM 0 HD1 PHE A 76 -13.747 -5.711 14.301 1.00 41.11 H new ATOM 0 HD2 PHE A 76 -16.974 -6.812 16.855 1.00 4.23 H new ATOM 0 HE1 PHE A 76 -14.114 -7.737 12.960 1.00 11.03 H new ATOM 0 HE2 PHE A 76 -17.340 -8.840 15.519 1.00 52.42 H new ATOM 0 HZ PHE A 76 -15.916 -9.304 13.565 1.00 41.13 H new ATOM 1174 N THR A 77 -12.684 -7.028 16.909 1.00 11.53 N ATOM 1175 CA THR A 77 -12.303 -8.413 17.150 1.00 30.44 C ATOM 1176 C THR A 77 -11.499 -8.546 18.438 1.00 22.45 C ATOM 1177 O THR A 77 -11.828 -9.355 19.306 1.00 12.41 O ATOM 1178 CB THR A 77 -11.476 -8.980 15.981 1.00 23.12 C ATOM 1179 OG1 THR A 77 -12.347 -9.432 14.938 1.00 3.32 O ATOM 1180 CG2 THR A 77 -10.596 -10.130 16.448 1.00 73.21 C ATOM 0 H THR A 77 -12.254 -6.610 16.084 1.00 11.53 H new ATOM 0 HA THR A 77 -13.227 -8.983 17.241 1.00 30.44 H new ATOM 0 HB THR A 77 -10.835 -8.185 15.599 1.00 23.12 H new ATOM 0 HG1 THR A 77 -12.585 -8.677 14.360 1.00 3.32 H new ATOM 0 HG21 THR A 77 -10.021 -10.514 15.605 1.00 73.21 H new ATOM 0 HG22 THR A 77 -9.914 -9.776 17.221 1.00 73.21 H new ATOM 0 HG23 THR A 77 -11.221 -10.925 16.853 1.00 73.21 H new ATOM 1188 N MET A 78 -10.443 -7.748 18.557 1.00 52.23 N ATOM 1189 CA MET A 78 -9.593 -7.776 19.741 1.00 1.21 C ATOM 1190 C MET A 78 -10.418 -7.569 21.007 1.00 22.15 C ATOM 1191 O MET A 78 -10.130 -8.159 22.049 1.00 15.05 O ATOM 1192 CB MET A 78 -8.509 -6.700 19.643 1.00 74.30 C ATOM 1193 CG MET A 78 -7.337 -7.097 18.760 1.00 31.35 C ATOM 1194 SD MET A 78 -6.021 -5.865 18.757 1.00 12.35 S ATOM 1195 CE MET A 78 -6.433 -4.934 17.284 1.00 43.33 C ATOM 0 H MET A 78 -10.156 -7.074 17.848 1.00 52.23 H new ATOM 0 HA MET A 78 -9.118 -8.756 19.794 1.00 1.21 H new ATOM 0 HB2 MET A 78 -8.952 -5.783 19.254 1.00 74.30 H new ATOM 0 HB3 MET A 78 -8.140 -6.476 20.644 1.00 74.30 H new ATOM 0 HG2 MET A 78 -6.936 -8.051 19.103 1.00 31.35 H new ATOM 0 HG3 MET A 78 -7.690 -7.248 17.740 1.00 31.35 H new ATOM 0 HE1 MET A 78 -5.697 -4.144 17.136 1.00 43.33 H new ATOM 0 HE2 MET A 78 -6.430 -5.599 16.421 1.00 43.33 H new ATOM 0 HE3 MET A 78 -7.423 -4.492 17.398 1.00 43.33 H new ATOM 1205 N ILE A 79 -11.442 -6.729 20.910 1.00 13.42 N ATOM 1206 CA ILE A 79 -12.308 -6.446 22.048 1.00 53.40 C ATOM 1207 C ILE A 79 -13.229 -7.624 22.344 1.00 34.22 C ATOM 1208 O ILE A 79 -13.498 -7.940 23.504 1.00 64.44 O ATOM 1209 CB ILE A 79 -13.164 -5.188 21.805 1.00 21.23 C ATOM 1210 CG1 ILE A 79 -12.301 -3.929 21.913 1.00 33.25 C ATOM 1211 CG2 ILE A 79 -14.317 -5.133 22.796 1.00 74.33 C ATOM 1212 CD1 ILE A 79 -12.921 -2.714 21.260 1.00 71.13 C ATOM 0 H ILE A 79 -11.693 -6.232 20.055 1.00 13.42 H new ATOM 0 HA ILE A 79 -11.657 -6.273 22.905 1.00 53.40 H new ATOM 0 HB ILE A 79 -13.578 -5.237 20.798 1.00 21.23 H new ATOM 0 HG12 ILE A 79 -12.119 -3.712 22.966 1.00 33.25 H new ATOM 0 HG13 ILE A 79 -11.331 -4.123 21.455 1.00 33.25 H new ATOM 0 HG21 ILE A 79 -14.913 -4.239 22.612 1.00 74.33 H new ATOM 0 HG22 ILE A 79 -14.943 -6.017 22.675 1.00 74.33 H new ATOM 0 HG23 ILE A 79 -13.923 -5.103 23.812 1.00 74.33 H new ATOM 0 HD11 ILE A 79 -12.255 -1.859 21.375 1.00 71.13 H new ATOM 0 HD12 ILE A 79 -13.078 -2.911 20.200 1.00 71.13 H new ATOM 0 HD13 ILE A 79 -13.878 -2.495 21.734 1.00 71.13 H new ATOM 1224 N PHE A 80 -13.710 -8.272 21.288 1.00 31.44 N ATOM 1225 CA PHE A 80 -14.601 -9.418 21.435 1.00 40.42 C ATOM 1226 C PHE A 80 -13.855 -10.617 22.012 1.00 2.24 C ATOM 1227 O PHE A 80 -14.284 -11.212 23.001 1.00 2.20 O ATOM 1228 CB PHE A 80 -15.216 -9.788 20.084 1.00 53.13 C ATOM 1229 CG PHE A 80 -16.385 -10.725 20.194 1.00 64.41 C ATOM 1230 CD1 PHE A 80 -17.638 -10.253 20.550 1.00 44.00 C ATOM 1231 CD2 PHE A 80 -16.230 -12.079 19.941 1.00 51.22 C ATOM 1232 CE1 PHE A 80 -18.714 -11.114 20.653 1.00 50.42 C ATOM 1233 CE2 PHE A 80 -17.303 -12.944 20.042 1.00 71.33 C ATOM 1234 CZ PHE A 80 -18.547 -12.461 20.397 1.00 1.32 C ATOM 0 H PHE A 80 -13.498 -8.024 20.322 1.00 31.44 H new ATOM 0 HA PHE A 80 -15.397 -9.141 22.126 1.00 40.42 H new ATOM 0 HB2 PHE A 80 -15.537 -8.877 19.578 1.00 53.13 H new ATOM 0 HB3 PHE A 80 -14.450 -10.247 19.459 1.00 53.13 H new ATOM 0 HD1 PHE A 80 -17.775 -9.200 20.749 1.00 44.00 H new ATOM 0 HD2 PHE A 80 -15.260 -12.462 19.662 1.00 51.22 H new ATOM 0 HE1 PHE A 80 -19.685 -10.734 20.934 1.00 50.42 H new ATOM 0 HE2 PHE A 80 -17.169 -13.997 19.843 1.00 71.33 H new ATOM 0 HZ PHE A 80 -19.387 -13.135 20.474 1.00 1.32 H new ATOM 1244 N VAL A 81 -12.735 -10.967 21.387 1.00 10.53 N ATOM 1245 CA VAL A 81 -11.928 -12.094 21.838 1.00 0.02 C ATOM 1246 C VAL A 81 -11.450 -11.889 23.271 1.00 22.22 C ATOM 1247 O VAL A 81 -11.254 -12.850 24.016 1.00 21.21 O ATOM 1248 CB VAL A 81 -10.705 -12.309 20.926 1.00 34.34 C ATOM 1249 CG1 VAL A 81 -11.148 -12.650 19.512 1.00 63.44 C ATOM 1250 CG2 VAL A 81 -9.813 -11.077 20.933 1.00 72.25 C ATOM 0 H VAL A 81 -12.366 -10.486 20.567 1.00 10.53 H new ATOM 0 HA VAL A 81 -12.565 -12.977 21.794 1.00 0.02 H new ATOM 0 HB VAL A 81 -10.127 -13.149 21.312 1.00 34.34 H new ATOM 0 HG11 VAL A 81 -10.271 -12.798 18.882 1.00 63.44 H new ATOM 0 HG12 VAL A 81 -11.743 -13.563 19.527 1.00 63.44 H new ATOM 0 HG13 VAL A 81 -11.748 -11.833 19.112 1.00 63.44 H new ATOM 0 HG21 VAL A 81 -8.954 -11.246 20.284 1.00 72.25 H new ATOM 0 HG22 VAL A 81 -10.377 -10.217 20.572 1.00 72.25 H new ATOM 0 HG23 VAL A 81 -9.468 -10.884 21.949 1.00 72.25 H new ATOM 1260 N THR A 82 -11.263 -10.629 23.653 1.00 73.41 N ATOM 1261 CA THR A 82 -10.807 -10.297 24.997 1.00 75.52 C ATOM 1262 C THR A 82 -11.802 -10.776 26.048 1.00 0.45 C ATOM 1263 O THR A 82 -11.437 -11.491 26.983 1.00 54.31 O ATOM 1264 CB THR A 82 -10.595 -8.780 25.159 1.00 34.53 C ATOM 1265 OG1 THR A 82 -9.318 -8.405 24.633 1.00 62.22 O ATOM 1266 CG2 THR A 82 -10.685 -8.375 26.623 1.00 73.22 C ATOM 0 H THR A 82 -11.421 -9.822 23.050 1.00 73.41 H new ATOM 0 HA THR A 82 -9.855 -10.806 25.144 1.00 75.52 H new ATOM 0 HB THR A 82 -11.380 -8.264 24.606 1.00 34.53 H new ATOM 0 HG1 THR A 82 -9.372 -8.341 23.657 1.00 62.22 H new ATOM 0 HG21 THR A 82 -10.532 -7.300 26.713 1.00 73.22 H new ATOM 0 HG22 THR A 82 -11.669 -8.636 27.013 1.00 73.22 H new ATOM 0 HG23 THR A 82 -9.918 -8.899 27.193 1.00 73.22 H new ATOM 1274 N LEU A 83 -13.060 -10.378 25.891 1.00 45.32 N ATOM 1275 CA LEU A 83 -14.108 -10.767 26.827 1.00 12.34 C ATOM 1276 C LEU A 83 -14.365 -12.269 26.764 1.00 53.23 C ATOM 1277 O LEU A 83 -14.850 -12.867 27.724 1.00 25.14 O ATOM 1278 CB LEU A 83 -15.399 -10.004 26.524 1.00 2.52 C ATOM 1279 CG LEU A 83 -15.269 -8.484 26.410 1.00 71.33 C ATOM 1280 CD1 LEU A 83 -16.344 -7.924 25.491 1.00 61.51 C ATOM 1281 CD2 LEU A 83 -15.350 -7.837 27.785 1.00 40.05 C ATOM 0 H LEU A 83 -13.379 -9.786 25.124 1.00 45.32 H new ATOM 0 HA LEU A 83 -13.773 -10.517 27.833 1.00 12.34 H new ATOM 0 HB2 LEU A 83 -15.812 -10.384 25.590 1.00 2.52 H new ATOM 0 HB3 LEU A 83 -16.123 -10.229 27.307 1.00 2.52 H new ATOM 0 HG LEU A 83 -14.295 -8.253 25.979 1.00 71.33 H new ATOM 0 HD11 LEU A 83 -16.236 -6.842 25.422 1.00 61.51 H new ATOM 0 HD12 LEU A 83 -16.239 -8.363 24.499 1.00 61.51 H new ATOM 0 HD13 LEU A 83 -17.328 -8.165 25.893 1.00 61.51 H new ATOM 0 HD21 LEU A 83 -15.256 -6.756 27.684 1.00 40.05 H new ATOM 0 HD22 LEU A 83 -16.309 -8.076 28.244 1.00 40.05 H new ATOM 0 HD23 LEU A 83 -14.543 -8.215 28.413 1.00 40.05 H new ATOM 1293 N SER A 84 -14.036 -12.873 25.626 1.00 0.33 N ATOM 1294 CA SER A 84 -14.233 -14.305 25.437 1.00 64.14 C ATOM 1295 C SER A 84 -13.305 -15.106 26.345 1.00 10.14 C ATOM 1296 O SER A 84 -13.742 -16.018 27.048 1.00 71.02 O ATOM 1297 CB SER A 84 -13.987 -14.686 23.975 1.00 11.13 C ATOM 1298 OG SER A 84 -15.022 -15.521 23.485 1.00 2.21 O ATOM 0 H SER A 84 -13.632 -12.393 24.822 1.00 0.33 H new ATOM 0 HA SER A 84 -15.264 -14.543 25.700 1.00 64.14 H new ATOM 0 HB2 SER A 84 -13.924 -13.784 23.366 1.00 11.13 H new ATOM 0 HB3 SER A 84 -13.029 -15.198 23.886 1.00 11.13 H new ATOM 0 HG SER A 84 -14.664 -16.112 22.790 1.00 2.21 H new ATOM 1304 N ILE A 85 -12.023 -14.758 26.326 1.00 41.11 N ATOM 1305 CA ILE A 85 -11.033 -15.443 27.148 1.00 13.22 C ATOM 1306 C ILE A 85 -11.286 -15.196 28.632 1.00 61.52 C ATOM 1307 O ILE A 85 -10.882 -15.991 29.482 1.00 55.44 O ATOM 1308 CB ILE A 85 -9.603 -14.991 26.801 1.00 64.03 C ATOM 1309 CG1 ILE A 85 -9.290 -15.296 25.334 1.00 13.51 C ATOM 1310 CG2 ILE A 85 -8.595 -15.672 27.715 1.00 72.41 C ATOM 1311 CD1 ILE A 85 -8.563 -14.174 24.626 1.00 55.14 C ATOM 0 H ILE A 85 -11.645 -14.006 25.750 1.00 41.11 H new ATOM 0 HA ILE A 85 -11.130 -16.508 26.937 1.00 13.22 H new ATOM 0 HB ILE A 85 -9.532 -13.914 26.952 1.00 64.03 H new ATOM 0 HG12 ILE A 85 -8.685 -16.201 25.280 1.00 13.51 H new ATOM 0 HG13 ILE A 85 -10.222 -15.504 24.808 1.00 13.51 H new ATOM 0 HG21 ILE A 85 -7.589 -15.342 27.457 1.00 72.41 H new ATOM 0 HG22 ILE A 85 -8.808 -15.410 28.751 1.00 72.41 H new ATOM 0 HG23 ILE A 85 -8.665 -16.753 27.592 1.00 72.41 H new ATOM 0 HD11 ILE A 85 -8.374 -14.459 23.591 1.00 55.14 H new ATOM 0 HD12 ILE A 85 -9.176 -13.273 24.648 1.00 55.14 H new ATOM 0 HD13 ILE A 85 -7.615 -13.981 25.128 1.00 55.14 H new ATOM 1323 N VAL A 86 -11.958 -14.091 28.936 1.00 12.14 N ATOM 1324 CA VAL A 86 -12.268 -13.741 30.317 1.00 10.44 C ATOM 1325 C VAL A 86 -13.506 -14.483 30.808 1.00 10.21 C ATOM 1326 O VAL A 86 -13.497 -15.081 31.884 1.00 34.13 O ATOM 1327 CB VAL A 86 -12.495 -12.225 30.475 1.00 73.43 C ATOM 1328 CG1 VAL A 86 -13.564 -11.951 31.522 1.00 22.40 C ATOM 1329 CG2 VAL A 86 -11.193 -11.526 30.834 1.00 20.22 C ATOM 0 H VAL A 86 -12.298 -13.423 28.245 1.00 12.14 H new ATOM 0 HA VAL A 86 -11.408 -14.037 30.919 1.00 10.44 H new ATOM 0 HB VAL A 86 -12.844 -11.826 29.522 1.00 73.43 H new ATOM 0 HG11 VAL A 86 -13.710 -10.875 31.620 1.00 22.40 H new ATOM 0 HG12 VAL A 86 -14.500 -12.418 31.217 1.00 22.40 H new ATOM 0 HG13 VAL A 86 -13.248 -12.363 32.481 1.00 22.40 H new ATOM 0 HG21 VAL A 86 -11.372 -10.456 30.942 1.00 20.22 H new ATOM 0 HG22 VAL A 86 -10.812 -11.926 31.773 1.00 20.22 H new ATOM 0 HG23 VAL A 86 -10.460 -11.694 30.045 1.00 20.22 H new ATOM 1339 N ILE A 87 -14.569 -14.440 30.012 1.00 61.00 N ATOM 1340 CA ILE A 87 -15.814 -15.110 30.365 1.00 55.12 C ATOM 1341 C ILE A 87 -15.666 -16.625 30.283 1.00 21.40 C ATOM 1342 O ILE A 87 -16.356 -17.367 30.983 1.00 70.30 O ATOM 1343 CB ILE A 87 -16.970 -14.668 29.448 1.00 75.51 C ATOM 1344 CG1 ILE A 87 -17.278 -13.184 29.657 1.00 62.21 C ATOM 1345 CG2 ILE A 87 -18.208 -15.513 29.712 1.00 61.44 C ATOM 1346 CD1 ILE A 87 -17.717 -12.851 31.065 1.00 13.43 C ATOM 0 H ILE A 87 -14.593 -13.948 29.119 1.00 61.00 H new ATOM 0 HA ILE A 87 -16.045 -14.825 31.391 1.00 55.12 H new ATOM 0 HB ILE A 87 -16.667 -14.814 28.411 1.00 75.51 H new ATOM 0 HG12 ILE A 87 -16.391 -12.599 29.414 1.00 62.21 H new ATOM 0 HG13 ILE A 87 -18.060 -12.882 28.960 1.00 62.21 H new ATOM 0 HG21 ILE A 87 -19.016 -15.189 29.057 1.00 61.44 H new ATOM 0 HG22 ILE A 87 -17.981 -16.561 29.517 1.00 61.44 H new ATOM 0 HG23 ILE A 87 -18.514 -15.395 30.751 1.00 61.44 H new ATOM 0 HD11 ILE A 87 -17.918 -11.782 31.140 1.00 13.43 H new ATOM 0 HD12 ILE A 87 -18.622 -13.409 31.305 1.00 13.43 H new ATOM 0 HD13 ILE A 87 -16.927 -13.122 31.766 1.00 13.43 H new ATOM 1358 N THR A 88 -14.759 -17.080 29.424 1.00 23.21 N ATOM 1359 CA THR A 88 -14.518 -18.507 29.251 1.00 71.13 C ATOM 1360 C THR A 88 -13.768 -19.087 30.444 1.00 21.22 C ATOM 1361 O THR A 88 -14.139 -20.135 30.974 1.00 1.31 O ATOM 1362 CB THR A 88 -13.715 -18.789 27.967 1.00 24.42 C ATOM 1363 OG1 THR A 88 -14.537 -18.570 26.816 1.00 53.10 O ATOM 1364 CG2 THR A 88 -13.193 -20.218 27.959 1.00 63.31 C ATOM 0 H THR A 88 -14.179 -16.480 28.837 1.00 23.21 H new ATOM 0 HA THR A 88 -15.494 -18.985 29.173 1.00 71.13 H new ATOM 0 HB THR A 88 -12.865 -18.107 27.940 1.00 24.42 H new ATOM 0 HG1 THR A 88 -14.501 -17.624 26.564 1.00 53.10 H new ATOM 0 HG21 THR A 88 -12.629 -20.394 27.043 1.00 63.31 H new ATOM 0 HG22 THR A 88 -12.543 -20.373 28.820 1.00 63.31 H new ATOM 0 HG23 THR A 88 -14.032 -20.912 28.008 1.00 63.31 H new ATOM 1372 N VAL A 89 -12.711 -18.400 30.864 1.00 44.50 N ATOM 1373 CA VAL A 89 -11.909 -18.846 31.997 1.00 1.10 C ATOM 1374 C VAL A 89 -12.687 -18.726 33.302 1.00 13.33 C ATOM 1375 O VAL A 89 -12.405 -19.429 34.273 1.00 54.21 O ATOM 1376 CB VAL A 89 -10.603 -18.037 32.114 1.00 14.02 C ATOM 1377 CG1 VAL A 89 -10.814 -16.807 32.984 1.00 44.33 C ATOM 1378 CG2 VAL A 89 -9.486 -18.907 32.669 1.00 61.31 C ATOM 0 H VAL A 89 -12.390 -17.532 30.436 1.00 44.50 H new ATOM 0 HA VAL A 89 -11.664 -19.893 31.818 1.00 1.10 H new ATOM 0 HB VAL A 89 -10.312 -17.703 31.118 1.00 14.02 H new ATOM 0 HG11 VAL A 89 -9.881 -16.248 33.056 1.00 44.33 H new ATOM 0 HG12 VAL A 89 -11.583 -16.175 32.540 1.00 44.33 H new ATOM 0 HG13 VAL A 89 -11.129 -17.116 33.981 1.00 44.33 H new ATOM 0 HG21 VAL A 89 -8.571 -18.320 32.745 1.00 61.31 H new ATOM 0 HG22 VAL A 89 -9.766 -19.272 33.657 1.00 61.31 H new ATOM 0 HG23 VAL A 89 -9.319 -19.754 32.003 1.00 61.31 H new ATOM 1388 N PHE A 90 -13.669 -17.830 33.319 1.00 31.20 N ATOM 1389 CA PHE A 90 -14.489 -17.617 34.506 1.00 73.03 C ATOM 1390 C PHE A 90 -15.384 -18.824 34.773 1.00 63.13 C ATOM 1391 O PHE A 90 -15.333 -19.423 35.847 1.00 20.21 O ATOM 1392 CB PHE A 90 -15.346 -16.360 34.341 1.00 42.04 C ATOM 1393 CG PHE A 90 -14.773 -15.150 35.022 1.00 30.43 C ATOM 1394 CD1 PHE A 90 -13.439 -14.814 34.860 1.00 42.03 C ATOM 1395 CD2 PHE A 90 -15.569 -14.350 35.826 1.00 23.12 C ATOM 1396 CE1 PHE A 90 -12.909 -13.701 35.485 1.00 25.33 C ATOM 1397 CE2 PHE A 90 -15.044 -13.236 36.454 1.00 72.21 C ATOM 1398 CZ PHE A 90 -13.712 -12.912 36.284 1.00 32.03 C ATOM 0 H PHE A 90 -13.916 -17.240 32.524 1.00 31.20 H new ATOM 0 HA PHE A 90 -13.822 -17.485 35.358 1.00 73.03 H new ATOM 0 HB2 PHE A 90 -15.464 -16.147 33.278 1.00 42.04 H new ATOM 0 HB3 PHE A 90 -16.342 -16.554 34.740 1.00 42.04 H new ATOM 0 HD1 PHE A 90 -12.806 -15.429 34.238 1.00 42.03 H new ATOM 0 HD2 PHE A 90 -16.611 -14.599 35.963 1.00 23.12 H new ATOM 0 HE1 PHE A 90 -11.868 -13.449 35.348 1.00 25.33 H new ATOM 0 HE2 PHE A 90 -15.675 -12.619 37.077 1.00 72.21 H new ATOM 0 HZ PHE A 90 -13.300 -12.043 36.775 1.00 32.03 H new ATOM 1408 N VAL A 91 -16.203 -19.175 33.787 1.00 73.41 N ATOM 1409 CA VAL A 91 -17.109 -20.311 33.914 1.00 54.31 C ATOM 1410 C VAL A 91 -16.348 -21.586 34.256 1.00 24.10 C ATOM 1411 O VAL A 91 -16.864 -22.464 34.948 1.00 32.25 O ATOM 1412 CB VAL A 91 -17.911 -20.537 32.618 1.00 11.53 C ATOM 1413 CG1 VAL A 91 -16.977 -20.630 31.422 1.00 61.45 C ATOM 1414 CG2 VAL A 91 -18.769 -21.787 32.735 1.00 73.15 C ATOM 0 H VAL A 91 -16.258 -18.690 32.892 1.00 73.41 H new ATOM 0 HA VAL A 91 -17.800 -20.076 34.724 1.00 54.31 H new ATOM 0 HB VAL A 91 -18.572 -19.684 32.466 1.00 11.53 H new ATOM 0 HG11 VAL A 91 -17.561 -20.790 30.516 1.00 61.45 H new ATOM 0 HG12 VAL A 91 -16.410 -19.703 31.330 1.00 61.45 H new ATOM 0 HG13 VAL A 91 -16.289 -21.464 31.562 1.00 61.45 H new ATOM 0 HG21 VAL A 91 -19.329 -21.932 31.811 1.00 73.15 H new ATOM 0 HG22 VAL A 91 -18.130 -22.652 32.911 1.00 73.15 H new ATOM 0 HG23 VAL A 91 -19.464 -21.674 33.567 1.00 73.15 H new ATOM 1424 N LEU A 92 -15.116 -21.682 33.767 1.00 32.21 N ATOM 1425 CA LEU A 92 -14.281 -22.851 34.021 1.00 31.04 C ATOM 1426 C LEU A 92 -13.555 -22.721 35.356 1.00 23.34 C ATOM 1427 O LEU A 92 -13.109 -23.714 35.930 1.00 4.34 O ATOM 1428 CB LEU A 92 -13.266 -23.033 32.891 1.00 13.13 C ATOM 1429 CG LEU A 92 -12.318 -24.224 33.026 1.00 24.54 C ATOM 1430 CD1 LEU A 92 -12.113 -24.899 31.679 1.00 32.50 C ATOM 1431 CD2 LEU A 92 -10.984 -23.781 33.611 1.00 73.04 C ATOM 0 H LEU A 92 -14.674 -20.965 33.193 1.00 32.21 H new ATOM 0 HA LEU A 92 -14.928 -23.727 34.064 1.00 31.04 H new ATOM 0 HB2 LEU A 92 -13.811 -23.133 31.952 1.00 13.13 H new ATOM 0 HB3 LEU A 92 -12.668 -22.125 32.817 1.00 13.13 H new ATOM 0 HG LEU A 92 -12.769 -24.946 33.706 1.00 24.54 H new ATOM 0 HD11 LEU A 92 -11.435 -25.745 31.795 1.00 32.50 H new ATOM 0 HD12 LEU A 92 -13.072 -25.252 31.299 1.00 32.50 H new ATOM 0 HD13 LEU A 92 -11.685 -24.185 30.976 1.00 32.50 H new ATOM 0 HD21 LEU A 92 -10.322 -24.642 33.700 1.00 73.04 H new ATOM 0 HD22 LEU A 92 -10.528 -23.039 32.956 1.00 73.04 H new ATOM 0 HD23 LEU A 92 -11.146 -23.345 34.597 1.00 73.04 H new ATOM 1443 N ASN A 93 -13.442 -21.491 35.846 1.00 40.33 N ATOM 1444 CA ASN A 93 -12.771 -21.231 37.114 1.00 33.15 C ATOM 1445 C ASN A 93 -13.565 -21.815 38.279 1.00 73.31 C ATOM 1446 O ASN A 93 -12.992 -22.339 39.235 1.00 54.15 O ATOM 1447 CB ASN A 93 -12.581 -19.726 37.316 1.00 32.42 C ATOM 1448 CG ASN A 93 -11.121 -19.320 37.290 1.00 45.43 C ATOM 1449 OD1 ASN A 93 -10.610 -18.735 38.245 1.00 11.32 O ATOM 1450 ND2 ASN A 93 -10.440 -19.628 36.192 1.00 75.14 N ATOM 0 H ASN A 93 -13.807 -20.658 35.384 1.00 40.33 H new ATOM 0 HA ASN A 93 -11.794 -21.713 37.085 1.00 33.15 H new ATOM 0 HB2 ASN A 93 -13.119 -19.187 36.537 1.00 32.42 H new ATOM 0 HB3 ASN A 93 -13.020 -19.432 38.269 1.00 32.42 H new ATOM 0 HD21 ASN A 93 -9.454 -19.379 36.117 1.00 75.14 H new ATOM 0 HD22 ASN A 93 -10.903 -20.114 35.424 1.00 75.14 H new ATOM 1457 N VAL A 94 -14.889 -21.722 38.192 1.00 65.44 N ATOM 1458 CA VAL A 94 -15.762 -22.243 39.236 1.00 11.15 C ATOM 1459 C VAL A 94 -16.297 -23.623 38.869 1.00 3.40 C ATOM 1460 O VAL A 94 -16.501 -23.928 37.694 1.00 62.43 O ATOM 1461 CB VAL A 94 -16.949 -21.297 39.498 1.00 34.31 C ATOM 1462 CG1 VAL A 94 -18.015 -21.468 38.426 1.00 63.30 C ATOM 1463 CG2 VAL A 94 -17.530 -21.543 40.882 1.00 13.35 C ATOM 0 H VAL A 94 -15.380 -21.290 37.409 1.00 65.44 H new ATOM 0 HA VAL A 94 -15.161 -22.320 40.142 1.00 11.15 H new ATOM 0 HB VAL A 94 -16.588 -20.269 39.457 1.00 34.31 H new ATOM 0 HG11 VAL A 94 -18.846 -20.792 38.628 1.00 63.30 H new ATOM 0 HG12 VAL A 94 -17.589 -21.238 37.449 1.00 63.30 H new ATOM 0 HG13 VAL A 94 -18.375 -22.497 38.432 1.00 63.30 H new ATOM 0 HG21 VAL A 94 -18.368 -20.866 41.051 1.00 13.35 H new ATOM 0 HG22 VAL A 94 -17.877 -22.574 40.953 1.00 13.35 H new ATOM 0 HG23 VAL A 94 -16.763 -21.365 41.636 1.00 13.35 H new ATOM 1644 N GLY A 108 -26.380 -28.090 25.779 1.00 32.34 N ATOM 1645 CA GLY A 108 -26.112 -27.622 24.432 1.00 32.21 C ATOM 1646 C GLY A 108 -25.305 -26.339 24.414 1.00 62.51 C ATOM 1647 O GLY A 108 -25.391 -25.557 23.467 1.00 75.21 O ATOM 0 HA2 GLY A 108 -25.573 -28.394 23.883 1.00 32.21 H new ATOM 0 HA3 GLY A 108 -27.056 -27.461 23.912 1.00 32.21 H new ATOM 1651 N ILE A 109 -24.519 -26.122 25.463 1.00 11.11 N ATOM 1652 CA ILE A 109 -23.694 -24.925 25.564 1.00 42.34 C ATOM 1653 C ILE A 109 -22.463 -25.029 24.670 1.00 24.10 C ATOM 1654 O ILE A 109 -21.992 -24.031 24.124 1.00 15.43 O ATOM 1655 CB ILE A 109 -23.242 -24.673 27.014 1.00 4.31 C ATOM 1656 CG1 ILE A 109 -24.435 -24.769 27.967 1.00 3.43 C ATOM 1657 CG2 ILE A 109 -22.571 -23.312 27.131 1.00 32.02 C ATOM 1658 CD1 ILE A 109 -24.063 -24.577 29.421 1.00 34.52 C ATOM 0 H ILE A 109 -24.436 -26.760 26.255 1.00 11.11 H new ATOM 0 HA ILE A 109 -24.310 -24.089 25.234 1.00 42.34 H new ATOM 0 HB ILE A 109 -22.517 -25.438 27.291 1.00 4.31 H new ATOM 0 HG12 ILE A 109 -25.175 -24.019 27.687 1.00 3.43 H new ATOM 0 HG13 ILE A 109 -24.908 -25.743 27.847 1.00 3.43 H new ATOM 0 HG21 ILE A 109 -22.257 -23.149 28.162 1.00 32.02 H new ATOM 0 HG22 ILE A 109 -21.700 -23.278 26.477 1.00 32.02 H new ATOM 0 HG23 ILE A 109 -23.275 -22.533 26.838 1.00 32.02 H new ATOM 0 HD11 ILE A 109 -24.957 -24.658 30.039 1.00 34.52 H new ATOM 0 HD12 ILE A 109 -23.346 -25.343 29.717 1.00 34.52 H new ATOM 0 HD13 ILE A 109 -23.617 -23.592 29.555 1.00 34.52 H new ATOM 1670 N ASP A 110 -21.946 -26.244 24.524 1.00 71.13 N ATOM 1671 CA ASP A 110 -20.771 -26.480 23.693 1.00 24.44 C ATOM 1672 C ASP A 110 -21.108 -26.318 22.215 1.00 73.03 C ATOM 1673 O ASP A 110 -20.419 -25.606 21.485 1.00 3.50 O ATOM 1674 CB ASP A 110 -20.211 -27.880 23.951 1.00 71.42 C ATOM 1675 CG ASP A 110 -18.861 -27.847 24.640 1.00 50.34 C ATOM 1676 OD1 ASP A 110 -17.843 -27.661 23.941 1.00 53.04 O ATOM 1677 OD2 ASP A 110 -18.822 -28.007 25.878 1.00 50.12 O ATOM 0 H ASP A 110 -22.322 -27.081 24.970 1.00 71.13 H new ATOM 0 HA ASP A 110 -20.016 -25.740 23.957 1.00 24.44 H new ATOM 0 HB2 ASP A 110 -20.915 -28.442 24.565 1.00 71.42 H new ATOM 0 HB3 ASP A 110 -20.119 -28.411 23.004 1.00 71.42 H new ATOM 1682 N ARG A 111 -22.173 -26.984 21.779 1.00 23.33 N ATOM 1683 CA ARG A 111 -22.600 -26.916 20.387 1.00 13.52 C ATOM 1684 C ARG A 111 -22.877 -25.473 19.974 1.00 44.10 C ATOM 1685 O ARG A 111 -22.474 -25.038 18.895 1.00 61.35 O ATOM 1686 CB ARG A 111 -23.853 -27.767 20.174 1.00 61.44 C ATOM 1687 CG ARG A 111 -24.994 -27.419 21.115 1.00 31.12 C ATOM 1688 CD ARG A 111 -26.103 -28.458 21.055 1.00 24.44 C ATOM 1689 NE ARG A 111 -26.753 -28.490 19.748 1.00 15.14 N ATOM 1690 CZ ARG A 111 -27.480 -29.513 19.314 1.00 75.20 C ATOM 1691 NH1 ARG A 111 -27.649 -30.583 20.079 1.00 61.13 N ATOM 1692 NH2 ARG A 111 -28.041 -29.467 18.112 1.00 33.43 N ATOM 0 H ARG A 111 -22.756 -27.577 22.370 1.00 23.33 H new ATOM 0 HA ARG A 111 -21.794 -27.306 19.766 1.00 13.52 H new ATOM 0 HB2 ARG A 111 -24.193 -27.647 19.145 1.00 61.44 H new ATOM 0 HB3 ARG A 111 -23.594 -28.818 20.304 1.00 61.44 H new ATOM 0 HG2 ARG A 111 -24.617 -27.347 22.135 1.00 31.12 H new ATOM 0 HG3 ARG A 111 -25.397 -26.440 20.854 1.00 31.12 H new ATOM 0 HD2 ARG A 111 -25.690 -29.442 21.279 1.00 24.44 H new ATOM 0 HD3 ARG A 111 -26.845 -28.241 21.824 1.00 24.44 H new ATOM 0 HE ARG A 111 -26.643 -27.682 19.135 1.00 15.14 H new ATOM 0 HH11 ARG A 111 -27.220 -30.622 21.004 1.00 61.13 H new ATOM 0 HH12 ARG A 111 -28.208 -31.367 19.743 1.00 61.13 H new ATOM 0 HH21 ARG A 111 -27.914 -28.645 17.521 1.00 33.43 H new ATOM 0 HH22 ARG A 111 -28.599 -30.253 17.779 1.00 33.43 H new ATOM 1706 N ILE A 112 -23.566 -24.737 20.839 1.00 2.22 N ATOM 1707 CA ILE A 112 -23.895 -23.344 20.564 1.00 52.20 C ATOM 1708 C ILE A 112 -22.662 -22.454 20.681 1.00 14.13 C ATOM 1709 O ILE A 112 -22.525 -21.466 19.959 1.00 35.21 O ATOM 1710 CB ILE A 112 -24.983 -22.823 21.521 1.00 14.13 C ATOM 1711 CG1 ILE A 112 -26.296 -23.577 21.295 1.00 4.32 C ATOM 1712 CG2 ILE A 112 -25.186 -21.327 21.330 1.00 64.33 C ATOM 1713 CD1 ILE A 112 -26.854 -23.413 19.899 1.00 44.03 C ATOM 0 H ILE A 112 -23.907 -25.082 21.736 1.00 2.22 H new ATOM 0 HA ILE A 112 -24.272 -23.305 19.542 1.00 52.20 H new ATOM 0 HB ILE A 112 -24.657 -22.997 22.546 1.00 14.13 H new ATOM 0 HG12 ILE A 112 -26.135 -24.637 21.491 1.00 4.32 H new ATOM 0 HG13 ILE A 112 -27.035 -23.228 22.016 1.00 4.32 H new ATOM 0 HG21 ILE A 112 -25.958 -20.974 22.014 1.00 64.33 H new ATOM 0 HG22 ILE A 112 -24.252 -20.804 21.536 1.00 64.33 H new ATOM 0 HG23 ILE A 112 -25.493 -21.130 20.303 1.00 64.33 H new ATOM 0 HD11 ILE A 112 -27.784 -23.974 19.811 1.00 44.03 H new ATOM 0 HD12 ILE A 112 -27.047 -22.358 19.706 1.00 44.03 H new ATOM 0 HD13 ILE A 112 -26.133 -23.789 19.173 1.00 44.03 H new ATOM 1725 N PHE A 113 -21.766 -22.812 21.595 1.00 51.41 N ATOM 1726 CA PHE A 113 -20.543 -22.046 21.807 1.00 71.14 C ATOM 1727 C PHE A 113 -19.768 -21.888 20.502 1.00 25.20 C ATOM 1728 O PHE A 113 -19.529 -20.772 20.039 1.00 14.11 O ATOM 1729 CB PHE A 113 -19.664 -22.729 22.856 1.00 21.22 C ATOM 1730 CG PHE A 113 -18.268 -22.178 22.920 1.00 53.10 C ATOM 1731 CD1 PHE A 113 -17.262 -22.711 22.131 1.00 40.34 C ATOM 1732 CD2 PHE A 113 -17.963 -21.127 23.770 1.00 64.02 C ATOM 1733 CE1 PHE A 113 -15.977 -22.205 22.186 1.00 24.45 C ATOM 1734 CE2 PHE A 113 -16.679 -20.617 23.830 1.00 73.44 C ATOM 1735 CZ PHE A 113 -15.685 -21.158 23.038 1.00 2.00 C ATOM 0 H PHE A 113 -21.864 -23.627 22.200 1.00 51.41 H new ATOM 0 HA PHE A 113 -20.822 -21.055 22.166 1.00 71.14 H new ATOM 0 HB2 PHE A 113 -20.132 -22.624 23.835 1.00 21.22 H new ATOM 0 HB3 PHE A 113 -19.615 -23.796 22.638 1.00 21.22 H new ATOM 0 HD1 PHE A 113 -17.484 -23.532 21.465 1.00 40.34 H new ATOM 0 HD2 PHE A 113 -18.736 -20.702 24.392 1.00 64.02 H new ATOM 0 HE1 PHE A 113 -15.202 -22.628 21.564 1.00 24.45 H new ATOM 0 HE2 PHE A 113 -16.454 -19.797 24.495 1.00 73.44 H new ATOM 0 HZ PHE A 113 -14.681 -20.763 23.085 1.00 2.00 H new ATOM 1745 N LEU A 114 -19.376 -23.013 19.914 1.00 25.12 N ATOM 1746 CA LEU A 114 -18.626 -23.001 18.663 1.00 61.43 C ATOM 1747 C LEU A 114 -19.473 -22.440 17.526 1.00 52.54 C ATOM 1748 O LEU A 114 -18.945 -21.922 16.542 1.00 5.51 O ATOM 1749 CB LEU A 114 -18.156 -24.415 18.314 1.00 40.44 C ATOM 1750 CG LEU A 114 -19.151 -25.281 17.541 1.00 60.12 C ATOM 1751 CD1 LEU A 114 -18.884 -25.197 16.046 1.00 4.10 C ATOM 1752 CD2 LEU A 114 -19.082 -26.725 18.016 1.00 35.02 C ATOM 0 H LEU A 114 -19.565 -23.945 20.283 1.00 25.12 H new ATOM 0 HA LEU A 114 -17.756 -22.357 18.795 1.00 61.43 H new ATOM 0 HB2 LEU A 114 -17.240 -24.338 17.728 1.00 40.44 H new ATOM 0 HB3 LEU A 114 -17.899 -24.930 19.240 1.00 40.44 H new ATOM 0 HG LEU A 114 -20.156 -24.904 17.731 1.00 60.12 H new ATOM 0 HD11 LEU A 114 -19.602 -25.820 15.513 1.00 4.10 H new ATOM 0 HD12 LEU A 114 -18.985 -24.163 15.716 1.00 4.10 H new ATOM 0 HD13 LEU A 114 -17.873 -25.548 15.837 1.00 4.10 H new ATOM 0 HD21 LEU A 114 -19.797 -27.327 17.455 1.00 35.02 H new ATOM 0 HD22 LEU A 114 -18.076 -27.113 17.856 1.00 35.02 H new ATOM 0 HD23 LEU A 114 -19.324 -26.771 19.078 1.00 35.02 H new ATOM 1764 N TRP A 115 -20.789 -22.544 17.669 1.00 54.14 N ATOM 1765 CA TRP A 115 -21.710 -22.044 16.654 1.00 52.10 C ATOM 1766 C TRP A 115 -21.670 -20.521 16.585 1.00 64.41 C ATOM 1767 O TRP A 115 -21.953 -19.931 15.543 1.00 5.30 O ATOM 1768 CB TRP A 115 -23.135 -22.515 16.952 1.00 65.43 C ATOM 1769 CG TRP A 115 -23.656 -23.500 15.949 1.00 52.52 C ATOM 1770 CD1 TRP A 115 -24.099 -24.767 16.198 1.00 20.22 C ATOM 1771 CD2 TRP A 115 -23.787 -23.297 14.538 1.00 53.05 C ATOM 1772 NE1 TRP A 115 -24.497 -25.365 15.027 1.00 54.12 N ATOM 1773 CE2 TRP A 115 -24.317 -24.484 13.994 1.00 51.42 C ATOM 1774 CE3 TRP A 115 -23.511 -22.228 13.681 1.00 61.44 C ATOM 1775 CZ2 TRP A 115 -24.573 -24.629 12.633 1.00 14.11 C ATOM 1776 CZ3 TRP A 115 -23.765 -22.374 12.330 1.00 35.33 C ATOM 1777 CH2 TRP A 115 -24.293 -23.567 11.817 1.00 11.32 C ATOM 0 H TRP A 115 -21.243 -22.970 18.477 1.00 54.14 H new ATOM 0 HA TRP A 115 -21.397 -22.442 15.689 1.00 52.10 H new ATOM 0 HB2 TRP A 115 -23.161 -22.968 17.943 1.00 65.43 H new ATOM 0 HB3 TRP A 115 -23.798 -21.650 16.980 1.00 65.43 H new ATOM 0 HD1 TRP A 115 -24.132 -25.231 17.173 1.00 20.22 H new ATOM 0 HE1 TRP A 115 -24.867 -26.312 14.941 1.00 54.12 H new ATOM 0 HE3 TRP A 115 -23.106 -21.304 14.067 1.00 61.44 H new ATOM 0 HZ2 TRP A 115 -24.978 -25.548 12.235 1.00 14.11 H new ATOM 0 HZ3 TRP A 115 -23.553 -21.555 11.658 1.00 35.33 H new ATOM 0 HH2 TRP A 115 -24.482 -23.649 10.757 1.00 11.32 H new ATOM 1788 N MET A 116 -21.316 -19.892 17.701 1.00 42.14 N ATOM 1789 CA MET A 116 -21.237 -18.437 17.765 1.00 71.13 C ATOM 1790 C MET A 116 -19.953 -17.933 17.115 1.00 44.14 C ATOM 1791 O MET A 116 -19.981 -17.026 16.283 1.00 42.33 O ATOM 1792 CB MET A 116 -21.306 -17.965 19.218 1.00 13.32 C ATOM 1793 CG MET A 116 -22.313 -16.849 19.447 1.00 3.23 C ATOM 1794 SD MET A 116 -21.532 -15.300 19.942 1.00 74.51 S ATOM 1795 CE MET A 116 -20.264 -15.144 18.687 1.00 71.51 C ATOM 0 H MET A 116 -21.080 -20.366 18.572 1.00 42.14 H new ATOM 0 HA MET A 116 -22.085 -18.028 17.217 1.00 71.13 H new ATOM 0 HB2 MET A 116 -21.563 -18.812 19.855 1.00 13.32 H new ATOM 0 HB3 MET A 116 -20.319 -17.622 19.527 1.00 13.32 H new ATOM 0 HG2 MET A 116 -22.885 -16.687 18.533 1.00 3.23 H new ATOM 0 HG3 MET A 116 -23.022 -17.156 20.216 1.00 3.23 H new ATOM 0 HE1 MET A 116 -19.899 -14.117 18.665 1.00 71.51 H new ATOM 0 HE2 MET A 116 -19.439 -15.818 18.918 1.00 71.51 H new ATOM 0 HE3 MET A 116 -20.682 -15.402 17.714 1.00 71.51 H new ATOM 1805 N PHE A 117 -18.828 -18.526 17.499 1.00 24.43 N ATOM 1806 CA PHE A 117 -17.532 -18.136 16.955 1.00 74.25 C ATOM 1807 C PHE A 117 -17.560 -18.142 15.429 1.00 51.41 C ATOM 1808 O PHE A 117 -17.029 -17.237 14.785 1.00 45.41 O ATOM 1809 CB PHE A 117 -16.438 -19.079 17.459 1.00 30.03 C ATOM 1810 CG PHE A 117 -15.958 -18.753 18.845 1.00 71.23 C ATOM 1811 CD1 PHE A 117 -16.794 -18.915 19.938 1.00 51.23 C ATOM 1812 CD2 PHE A 117 -14.671 -18.285 19.054 1.00 51.40 C ATOM 1813 CE1 PHE A 117 -16.356 -18.616 21.214 1.00 24.31 C ATOM 1814 CE2 PHE A 117 -14.227 -17.985 20.328 1.00 41.21 C ATOM 1815 CZ PHE A 117 -15.070 -18.150 21.409 1.00 15.41 C ATOM 0 H PHE A 117 -18.787 -19.279 18.186 1.00 24.43 H new ATOM 0 HA PHE A 117 -17.313 -17.123 17.294 1.00 74.25 H new ATOM 0 HB2 PHE A 117 -16.816 -20.101 17.445 1.00 30.03 H new ATOM 0 HB3 PHE A 117 -15.593 -19.042 16.772 1.00 30.03 H new ATOM 0 HD1 PHE A 117 -17.800 -19.279 19.791 1.00 51.23 H new ATOM 0 HD2 PHE A 117 -14.007 -18.153 18.212 1.00 51.40 H new ATOM 0 HE1 PHE A 117 -17.018 -18.746 22.057 1.00 24.31 H new ATOM 0 HE2 PHE A 117 -13.221 -17.622 20.478 1.00 41.21 H new ATOM 0 HZ PHE A 117 -14.725 -17.915 22.405 1.00 15.41 H new ATOM 1825 N ILE A 118 -18.183 -19.167 14.858 1.00 22.21 N ATOM 1826 CA ILE A 118 -18.280 -19.290 13.409 1.00 35.50 C ATOM 1827 C ILE A 118 -19.372 -18.382 12.852 1.00 24.24 C ATOM 1828 O ILE A 118 -19.358 -18.031 11.672 1.00 12.54 O ATOM 1829 CB ILE A 118 -18.571 -20.742 12.986 1.00 74.41 C ATOM 1830 CG1 ILE A 118 -19.928 -21.194 13.531 1.00 2.43 C ATOM 1831 CG2 ILE A 118 -17.465 -21.667 13.471 1.00 31.30 C ATOM 1832 CD1 ILE A 118 -20.294 -22.609 13.145 1.00 61.54 C ATOM 0 H ILE A 118 -18.628 -19.924 15.377 1.00 22.21 H new ATOM 0 HA ILE A 118 -17.316 -18.987 13.001 1.00 35.50 H new ATOM 0 HB ILE A 118 -18.605 -20.787 11.897 1.00 74.41 H new ATOM 0 HG12 ILE A 118 -19.919 -21.114 14.618 1.00 2.43 H new ATOM 0 HG13 ILE A 118 -20.700 -20.516 13.168 1.00 2.43 H new ATOM 0 HG21 ILE A 118 -17.685 -22.689 13.164 1.00 31.30 H new ATOM 0 HG22 ILE A 118 -16.514 -21.355 13.039 1.00 31.30 H new ATOM 0 HG23 ILE A 118 -17.402 -21.620 14.558 1.00 31.30 H new ATOM 0 HD11 ILE A 118 -21.267 -22.861 13.566 1.00 61.54 H new ATOM 0 HD12 ILE A 118 -20.336 -22.691 12.059 1.00 61.54 H new ATOM 0 HD13 ILE A 118 -19.543 -23.298 13.532 1.00 61.54 H new ATOM 1844 N ILE A 119 -20.314 -18.005 13.710 1.00 41.23 N ATOM 1845 CA ILE A 119 -21.411 -17.135 13.304 1.00 1.12 C ATOM 1846 C ILE A 119 -20.918 -15.717 13.036 1.00 62.14 C ATOM 1847 O ILE A 119 -21.452 -15.015 12.177 1.00 2.42 O ATOM 1848 CB ILE A 119 -22.517 -17.087 14.375 1.00 71.43 C ATOM 1849 CG1 ILE A 119 -23.812 -17.692 13.828 1.00 12.22 C ATOM 1850 CG2 ILE A 119 -22.747 -15.656 14.835 1.00 13.13 C ATOM 1851 CD1 ILE A 119 -24.550 -18.548 14.833 1.00 74.30 C ATOM 0 H ILE A 119 -20.340 -18.288 14.690 1.00 41.23 H new ATOM 0 HA ILE A 119 -21.823 -17.554 12.386 1.00 1.12 H new ATOM 0 HB ILE A 119 -22.197 -17.676 15.234 1.00 71.43 H new ATOM 0 HG12 ILE A 119 -24.468 -16.887 13.497 1.00 12.22 H new ATOM 0 HG13 ILE A 119 -23.580 -18.295 12.950 1.00 12.22 H new ATOM 0 HG21 ILE A 119 -23.531 -15.639 15.592 1.00 13.13 H new ATOM 0 HG22 ILE A 119 -21.825 -15.257 15.259 1.00 13.13 H new ATOM 0 HG23 ILE A 119 -23.050 -15.045 13.985 1.00 13.13 H new ATOM 0 HD11 ILE A 119 -25.458 -18.944 14.377 1.00 74.30 H new ATOM 0 HD12 ILE A 119 -23.911 -19.374 15.146 1.00 74.30 H new ATOM 0 HD13 ILE A 119 -24.814 -17.944 15.701 1.00 74.30 H new ATOM 1863 N VAL A 120 -19.894 -15.303 13.775 1.00 45.33 N ATOM 1864 CA VAL A 120 -19.325 -13.970 13.615 1.00 54.52 C ATOM 1865 C VAL A 120 -18.287 -13.945 12.499 1.00 41.11 C ATOM 1866 O VAL A 120 -18.093 -12.923 11.840 1.00 51.41 O ATOM 1867 CB VAL A 120 -18.672 -13.478 14.920 1.00 11.40 C ATOM 1868 CG1 VAL A 120 -19.725 -13.262 15.996 1.00 13.50 C ATOM 1869 CG2 VAL A 120 -17.613 -14.463 15.390 1.00 62.25 C ATOM 0 H VAL A 120 -19.441 -15.872 14.491 1.00 45.33 H new ATOM 0 HA VAL A 120 -20.148 -13.304 13.356 1.00 54.52 H new ATOM 0 HB VAL A 120 -18.186 -12.522 14.724 1.00 11.40 H new ATOM 0 HG11 VAL A 120 -19.245 -12.914 16.911 1.00 13.50 H new ATOM 0 HG12 VAL A 120 -20.444 -12.516 15.657 1.00 13.50 H new ATOM 0 HG13 VAL A 120 -20.243 -14.201 16.192 1.00 13.50 H new ATOM 0 HG21 VAL A 120 -17.162 -14.099 16.313 1.00 62.25 H new ATOM 0 HG22 VAL A 120 -18.074 -15.434 15.569 1.00 62.25 H new ATOM 0 HG23 VAL A 120 -16.843 -14.562 14.625 1.00 62.25 H new ATOM 1879 N CYS A 121 -17.622 -15.076 12.292 1.00 32.10 N ATOM 1880 CA CYS A 121 -16.602 -15.185 11.255 1.00 12.00 C ATOM 1881 C CYS A 121 -17.218 -15.027 9.868 1.00 24.34 C ATOM 1882 O CYS A 121 -16.678 -14.323 9.014 1.00 25.21 O ATOM 1883 CB CYS A 121 -15.883 -16.531 11.357 1.00 11.21 C ATOM 1884 SG CYS A 121 -14.700 -16.634 12.721 1.00 60.15 S ATOM 0 H CYS A 121 -17.771 -15.931 12.829 1.00 32.10 H new ATOM 0 HA CYS A 121 -15.879 -14.383 11.405 1.00 12.00 H new ATOM 0 HB2 CYS A 121 -16.626 -17.320 11.474 1.00 11.21 H new ATOM 0 HB3 CYS A 121 -15.359 -16.723 10.421 1.00 11.21 H new ATOM 0 HG CYS A 121 -15.334 -16.888 13.827 1.00 60.15 H new ATOM 1890 N LEU A 122 -18.349 -15.688 9.651 1.00 53.03 N ATOM 1891 CA LEU A 122 -19.038 -15.623 8.367 1.00 53.25 C ATOM 1892 C LEU A 122 -19.835 -14.328 8.241 1.00 44.11 C ATOM 1893 O LEU A 122 -19.683 -13.585 7.270 1.00 0.12 O ATOM 1894 CB LEU A 122 -19.970 -16.825 8.204 1.00 64.45 C ATOM 1895 CG LEU A 122 -19.345 -18.080 7.593 1.00 24.43 C ATOM 1896 CD1 LEU A 122 -19.173 -17.915 6.091 1.00 34.12 C ATOM 1897 CD2 LEU A 122 -18.008 -18.386 8.254 1.00 52.11 C ATOM 0 H LEU A 122 -18.809 -16.275 10.347 1.00 53.03 H new ATOM 0 HA LEU A 122 -18.286 -15.644 7.578 1.00 53.25 H new ATOM 0 HB2 LEU A 122 -20.372 -17.083 9.184 1.00 64.45 H new ATOM 0 HB3 LEU A 122 -20.814 -16.524 7.583 1.00 64.45 H new ATOM 0 HG LEU A 122 -20.017 -18.920 7.771 1.00 24.43 H new ATOM 0 HD11 LEU A 122 -18.727 -18.818 5.674 1.00 34.12 H new ATOM 0 HD12 LEU A 122 -20.146 -17.745 5.630 1.00 34.12 H new ATOM 0 HD13 LEU A 122 -18.523 -17.064 5.891 1.00 34.12 H new ATOM 0 HD21 LEU A 122 -17.578 -19.282 7.807 1.00 52.11 H new ATOM 0 HD22 LEU A 122 -17.329 -17.546 8.108 1.00 52.11 H new ATOM 0 HD23 LEU A 122 -18.159 -18.550 9.321 1.00 52.11 H new ATOM 1909 N LEU A 123 -20.682 -14.062 9.229 1.00 23.21 N ATOM 1910 CA LEU A 123 -21.501 -12.855 9.231 1.00 62.11 C ATOM 1911 C LEU A 123 -20.630 -11.606 9.145 1.00 2.25 C ATOM 1912 O LEU A 123 -20.788 -10.787 8.241 1.00 12.12 O ATOM 1913 CB LEU A 123 -22.365 -12.803 10.492 1.00 23.22 C ATOM 1914 CG LEU A 123 -23.219 -11.548 10.669 1.00 12.53 C ATOM 1915 CD1 LEU A 123 -22.435 -10.466 11.396 1.00 20.45 C ATOM 1916 CD2 LEU A 123 -23.706 -11.039 9.320 1.00 34.41 C ATOM 0 H LEU A 123 -20.820 -14.666 10.039 1.00 23.21 H new ATOM 0 HA LEU A 123 -22.149 -12.884 8.355 1.00 62.11 H new ATOM 0 HB2 LEU A 123 -23.025 -13.670 10.492 1.00 23.22 H new ATOM 0 HB3 LEU A 123 -21.712 -12.899 11.360 1.00 23.22 H new ATOM 0 HG LEU A 123 -24.088 -11.807 11.273 1.00 12.53 H new ATOM 0 HD11 LEU A 123 -23.060 -9.580 11.513 1.00 20.45 H new ATOM 0 HD12 LEU A 123 -22.136 -10.831 12.379 1.00 20.45 H new ATOM 0 HD13 LEU A 123 -21.547 -10.210 10.818 1.00 20.45 H new ATOM 0 HD21 LEU A 123 -24.312 -10.145 9.466 1.00 34.41 H new ATOM 0 HD22 LEU A 123 -22.849 -10.798 8.691 1.00 34.41 H new ATOM 0 HD23 LEU A 123 -24.306 -11.809 8.835 1.00 34.41 H new ATOM 1928 N GLY A 124 -19.707 -11.468 10.093 1.00 13.31 N ATOM 1929 CA GLY A 124 -18.823 -10.317 10.105 1.00 11.05 C ATOM 1930 C GLY A 124 -18.102 -10.126 8.786 1.00 52.41 C ATOM 1931 O GLY A 124 -18.080 -9.024 8.235 1.00 24.24 O ATOM 0 H GLY A 124 -19.556 -12.132 10.852 1.00 13.31 H new ATOM 0 HA2 GLY A 124 -19.401 -9.421 10.333 1.00 11.05 H new ATOM 0 HA3 GLY A 124 -18.090 -10.434 10.903 1.00 11.05 H new ATOM 1935 N THR A 125 -17.509 -11.200 8.276 1.00 23.51 N ATOM 1936 CA THR A 125 -16.781 -11.146 7.015 1.00 42.44 C ATOM 1937 C THR A 125 -17.685 -10.682 5.878 1.00 22.30 C ATOM 1938 O THR A 125 -17.264 -9.921 5.007 1.00 5.33 O ATOM 1939 CB THR A 125 -16.181 -12.517 6.652 1.00 72.31 C ATOM 1940 OG1 THR A 125 -15.025 -12.775 7.456 1.00 3.51 O ATOM 1941 CG2 THR A 125 -15.803 -12.570 5.179 1.00 32.44 C ATOM 0 H THR A 125 -17.519 -12.119 8.718 1.00 23.51 H new ATOM 0 HA THR A 125 -15.971 -10.428 7.149 1.00 42.44 H new ATOM 0 HB THR A 125 -16.935 -13.281 6.845 1.00 72.31 H new ATOM 0 HG1 THR A 125 -15.272 -13.352 8.209 1.00 3.51 H new ATOM 0 HG21 THR A 125 -15.381 -13.548 4.947 1.00 32.44 H new ATOM 0 HG22 THR A 125 -16.691 -12.403 4.569 1.00 32.44 H new ATOM 0 HG23 THR A 125 -15.065 -11.797 4.965 1.00 32.44 H new ATOM 1949 N VAL A 126 -18.930 -11.146 5.892 1.00 35.10 N ATOM 1950 CA VAL A 126 -19.895 -10.777 4.863 1.00 72.41 C ATOM 1951 C VAL A 126 -20.322 -9.321 5.006 1.00 10.12 C ATOM 1952 O VAL A 126 -20.502 -8.615 4.015 1.00 60.33 O ATOM 1953 CB VAL A 126 -21.145 -11.675 4.918 1.00 35.21 C ATOM 1954 CG1 VAL A 126 -22.293 -11.040 4.148 1.00 34.41 C ATOM 1955 CG2 VAL A 126 -20.830 -13.061 4.375 1.00 13.12 C ATOM 0 H VAL A 126 -19.294 -11.778 6.605 1.00 35.10 H new ATOM 0 HA VAL A 126 -19.400 -10.914 3.902 1.00 72.41 H new ATOM 0 HB VAL A 126 -21.451 -11.779 5.959 1.00 35.21 H new ATOM 0 HG11 VAL A 126 -23.167 -11.689 4.198 1.00 34.41 H new ATOM 0 HG12 VAL A 126 -22.534 -10.072 4.587 1.00 34.41 H new ATOM 0 HG13 VAL A 126 -22.001 -10.904 3.107 1.00 34.41 H new ATOM 0 HG21 VAL A 126 -21.725 -13.682 4.422 1.00 13.12 H new ATOM 0 HG22 VAL A 126 -20.498 -12.980 3.340 1.00 13.12 H new ATOM 0 HG23 VAL A 126 -20.041 -13.516 4.974 1.00 13.12 H new ATOM 1965 N GLY A 127 -20.482 -8.876 6.249 1.00 32.31 N ATOM 1966 CA GLY A 127 -20.886 -7.505 6.500 1.00 34.32 C ATOM 1967 C GLY A 127 -19.785 -6.510 6.192 1.00 21.53 C ATOM 1968 O GLY A 127 -20.053 -5.337 5.930 1.00 30.22 O ATOM 0 H GLY A 127 -20.339 -9.441 7.086 1.00 32.31 H new ATOM 0 HA2 GLY A 127 -21.762 -7.271 5.895 1.00 34.32 H new ATOM 0 HA3 GLY A 127 -21.183 -7.402 7.544 1.00 34.32 H new ATOM 1972 N LEU A 128 -18.542 -6.978 6.225 1.00 2.23 N ATOM 1973 CA LEU A 128 -17.394 -6.120 5.949 1.00 75.20 C ATOM 1974 C LEU A 128 -17.271 -5.840 4.455 1.00 73.13 C ATOM 1975 O LEU A 128 -17.143 -4.689 4.037 1.00 65.23 O ATOM 1976 CB LEU A 128 -16.110 -6.771 6.465 1.00 71.51 C ATOM 1977 CG LEU A 128 -14.814 -6.006 6.195 1.00 71.35 C ATOM 1978 CD1 LEU A 128 -14.985 -4.533 6.529 1.00 43.52 C ATOM 1979 CD2 LEU A 128 -13.665 -6.606 6.991 1.00 65.10 C ATOM 0 H LEU A 128 -18.303 -7.946 6.440 1.00 2.23 H new ATOM 0 HA LEU A 128 -17.547 -5.173 6.466 1.00 75.20 H new ATOM 0 HB2 LEU A 128 -16.206 -6.914 7.541 1.00 71.51 H new ATOM 0 HB3 LEU A 128 -16.024 -7.761 6.018 1.00 71.51 H new ATOM 0 HG LEU A 128 -14.578 -6.092 5.134 1.00 71.35 H new ATOM 0 HD11 LEU A 128 -14.053 -4.004 6.331 1.00 43.52 H new ATOM 0 HD12 LEU A 128 -15.780 -4.110 5.914 1.00 43.52 H new ATOM 0 HD13 LEU A 128 -15.246 -4.427 7.582 1.00 43.52 H new ATOM 0 HD21 LEU A 128 -12.751 -6.049 6.786 1.00 65.10 H new ATOM 0 HD22 LEU A 128 -13.892 -6.552 8.056 1.00 65.10 H new ATOM 0 HD23 LEU A 128 -13.527 -7.648 6.702 1.00 65.10 H new ATOM 1991 N PHE A 129 -17.314 -6.900 3.654 1.00 41.32 N ATOM 1992 CA PHE A 129 -17.208 -6.768 2.205 1.00 13.03 C ATOM 1993 C PHE A 129 -18.387 -5.979 1.644 1.00 54.04 C ATOM 1994 O PHE A 129 -18.225 -5.155 0.742 1.00 31.05 O ATOM 1995 CB PHE A 129 -17.145 -8.149 1.550 1.00 55.04 C ATOM 1996 CG PHE A 129 -15.745 -8.656 1.352 1.00 14.31 C ATOM 1997 CD1 PHE A 129 -15.047 -8.367 0.190 1.00 15.14 C ATOM 1998 CD2 PHE A 129 -15.127 -9.420 2.328 1.00 20.12 C ATOM 1999 CE1 PHE A 129 -13.759 -8.833 0.006 1.00 54.40 C ATOM 2000 CE2 PHE A 129 -13.839 -9.888 2.150 1.00 63.35 C ATOM 2001 CZ PHE A 129 -13.154 -9.593 0.987 1.00 22.11 C ATOM 0 H PHE A 129 -17.421 -7.859 3.983 1.00 41.32 H new ATOM 0 HA PHE A 129 -16.290 -6.225 1.980 1.00 13.03 H new ATOM 0 HB2 PHE A 129 -17.696 -8.860 2.166 1.00 55.04 H new ATOM 0 HB3 PHE A 129 -17.648 -8.107 0.584 1.00 55.04 H new ATOM 0 HD1 PHE A 129 -15.515 -7.771 -0.580 1.00 15.14 H new ATOM 0 HD2 PHE A 129 -15.658 -9.653 3.239 1.00 20.12 H new ATOM 0 HE1 PHE A 129 -13.226 -8.603 -0.905 1.00 54.40 H new ATOM 0 HE2 PHE A 129 -13.369 -10.483 2.919 1.00 63.35 H new ATOM 0 HZ PHE A 129 -12.147 -9.956 0.846 1.00 22.11 H new