USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 943 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 80 THR OG1 : rot 180:sc= 1.84 USER MOD Set 1.2: A 83 SER OG : rot 86:sc= 1.26 USER MOD Set 2.1: A 21 ASN : amide:sc= -0.403 K(o=-0.32,f=-3.3!) USER MOD Set 2.2: A 23 THR OG1 : rot 180:sc= 0.0819 USER MOD Single : A 5 MET CE :methyl 168:sc= -2.27 (180deg=-3.47!) USER MOD Single : A 7 MET CE :methyl -163:sc= -2.39 (180deg=-3.08) USER MOD Single : A 10 TYR OH : rot 175:sc= 0.226 USER MOD Single : A 15 SER OG : rot -130:sc=-0.000631 USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.16) USER MOD Single : A 19 LYS NZ :NH3+ 132:sc= 0.595 (180deg=-0.578) USER MOD Single : A 22 ASN : amide:sc= -0.561 K(o=-0.56,f=0) USER MOD Single : A 24 THR OG1 : rot -13:sc= 1.49 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -64:sc= -1.1 USER MOD Single : A 41 ASN : amide:sc= -0.862 K(o=-0.86,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= -1.78! USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0419 K(o=-0.042,f=-1.3!) USER MOD Single : A 49 SER OG : rot 151:sc= 0.803 USER MOD Single : A 51 GLN : amide:sc= -5.27! K(o=-5.3!,f=-0.87) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 168:sc= -1.69! USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 63 SER OG : rot -122:sc= 1.3 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -165:sc= -0.0929 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -145:sc= 1.26 (180deg=1.07) USER MOD Single : A 84 TYR OH : rot 130:sc=-0.00152 USER MOD Single : A 86 HIS : no HD1:sc= -0.359 X(o=-0.36,f=0.075) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.242 K(o=-0.24,f=-1.2) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.11) USER MOD Single : A 96 GLN : amide:sc= -1.44 K(o=-1.4,f=-4.1!) USER MOD Single : A 98 HIS : no HD1:sc= -6.18! C(o=-6.2!,f=-3.8!) USER MOD Single : A 99 CYS SG : rot 180:sc= -0.721 USER MOD Single : A 101 ASN : amide:sc= -0.697 K(o=-0.7,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0.0692 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 116 CYS SG : rot 53:sc= -2.61 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 4 -10.250 12.376 4.544 1.00 0.78 N ATOM 38 CA ALA A 4 -9.341 11.267 4.318 1.00 0.62 C ATOM 39 C ALA A 4 -9.783 10.038 5.099 1.00 0.57 C ATOM 40 O ALA A 4 -9.733 10.019 6.329 1.00 0.79 O ATOM 41 CB ALA A 4 -7.924 11.661 4.705 1.00 0.73 C ATOM 0 HA ALA A 4 -9.358 11.019 3.257 1.00 0.62 H new ATOM 0 HB1 ALA A 4 -7.252 10.821 4.531 1.00 0.73 H new ATOM 0 HB2 ALA A 4 -7.605 12.511 4.102 1.00 0.73 H new ATOM 0 HB3 ALA A 4 -7.898 11.934 5.760 1.00 0.73 H new ATOM 47 N MET A 5 -10.225 9.025 4.374 1.00 0.40 N ATOM 48 CA MET A 5 -10.662 7.770 4.971 1.00 0.39 C ATOM 49 C MET A 5 -9.550 6.738 4.916 1.00 0.36 C ATOM 50 O MET A 5 -8.938 6.548 3.875 1.00 0.38 O ATOM 51 CB MET A 5 -11.875 7.224 4.216 1.00 0.41 C ATOM 52 CG MET A 5 -13.195 7.864 4.611 1.00 0.47 C ATOM 53 SD MET A 5 -14.612 7.060 3.834 1.00 0.54 S ATOM 54 CE MET A 5 -14.410 5.385 4.436 1.00 1.31 C ATOM 0 H MET A 5 -10.292 9.047 3.356 1.00 0.40 H new ATOM 0 HA MET A 5 -10.927 7.964 6.010 1.00 0.39 H new ATOM 0 HB2 MET A 5 -11.719 7.370 3.147 1.00 0.41 H new ATOM 0 HB3 MET A 5 -11.940 6.149 4.385 1.00 0.41 H new ATOM 0 HG2 MET A 5 -13.306 7.821 5.694 1.00 0.47 H new ATOM 0 HG3 MET A 5 -13.182 8.918 4.333 1.00 0.47 H new ATOM 0 HE1 MET A 5 -15.313 4.811 4.226 1.00 1.31 H new ATOM 0 HE2 MET A 5 -13.560 4.919 3.938 1.00 1.31 H new ATOM 0 HE3 MET A 5 -14.234 5.404 5.512 1.00 1.31 H new ATOM 64 N PRO A 6 -9.259 6.056 6.028 1.00 0.38 N ATOM 65 CA PRO A 6 -8.321 4.934 6.016 1.00 0.37 C ATOM 66 C PRO A 6 -8.768 3.886 4.998 1.00 0.32 C ATOM 67 O PRO A 6 -9.914 3.446 5.021 1.00 0.30 O ATOM 68 CB PRO A 6 -8.397 4.385 7.444 1.00 0.47 C ATOM 69 CG PRO A 6 -8.900 5.521 8.268 1.00 0.53 C ATOM 70 CD PRO A 6 -9.802 6.320 7.369 1.00 0.49 C ATOM 0 HA PRO A 6 -7.308 5.220 5.734 1.00 0.37 H new ATOM 0 HB2 PRO A 6 -9.068 3.528 7.502 1.00 0.47 H new ATOM 0 HB3 PRO A 6 -7.420 4.049 7.790 1.00 0.47 H new ATOM 0 HG2 PRO A 6 -9.442 5.159 9.142 1.00 0.53 H new ATOM 0 HG3 PRO A 6 -8.075 6.132 8.635 1.00 0.53 H new ATOM 0 HD2 PRO A 6 -10.841 6.000 7.453 1.00 0.49 H new ATOM 0 HD3 PRO A 6 -9.775 7.382 7.612 1.00 0.49 H new ATOM 78 N MET A 7 -7.868 3.517 4.096 1.00 0.31 N ATOM 79 CA MET A 7 -8.216 2.670 2.954 1.00 0.28 C ATOM 80 C MET A 7 -8.719 1.290 3.369 1.00 0.27 C ATOM 81 O MET A 7 -9.500 0.673 2.644 1.00 0.29 O ATOM 82 CB MET A 7 -7.034 2.559 1.997 1.00 0.30 C ATOM 83 CG MET A 7 -6.989 3.676 0.967 1.00 0.33 C ATOM 84 SD MET A 7 -8.213 3.461 -0.342 1.00 1.17 S ATOM 85 CE MET A 7 -7.610 1.986 -1.148 1.00 0.48 C ATOM 0 H MET A 7 -6.886 3.791 4.130 1.00 0.31 H new ATOM 0 HA MET A 7 -9.046 3.154 2.439 1.00 0.28 H new ATOM 0 HB2 MET A 7 -6.108 2.566 2.572 1.00 0.30 H new ATOM 0 HB3 MET A 7 -7.082 1.600 1.481 1.00 0.30 H new ATOM 0 HG2 MET A 7 -7.158 4.631 1.464 1.00 0.33 H new ATOM 0 HG3 MET A 7 -5.993 3.718 0.525 1.00 0.33 H new ATOM 0 HE1 MET A 7 -8.066 1.898 -2.134 1.00 0.48 H new ATOM 0 HE2 MET A 7 -6.527 2.046 -1.253 1.00 0.48 H new ATOM 0 HE3 MET A 7 -7.869 1.113 -0.549 1.00 0.48 H new ATOM 95 N ILE A 8 -8.293 0.804 4.525 1.00 0.26 N ATOM 96 CA ILE A 8 -8.840 -0.439 5.057 1.00 0.25 C ATOM 97 C ILE A 8 -10.286 -0.218 5.497 1.00 0.24 C ATOM 98 O ILE A 8 -11.179 -0.995 5.161 1.00 0.26 O ATOM 99 CB ILE A 8 -7.995 -0.977 6.235 1.00 0.23 C ATOM 100 CG1 ILE A 8 -6.627 -1.450 5.732 1.00 0.25 C ATOM 101 CG2 ILE A 8 -8.717 -2.101 6.966 1.00 0.25 C ATOM 102 CD1 ILE A 8 -6.698 -2.561 4.704 1.00 0.27 C ATOM 0 H ILE A 8 -7.580 1.243 5.108 1.00 0.26 H new ATOM 0 HA ILE A 8 -8.811 -1.188 4.266 1.00 0.25 H new ATOM 0 HB ILE A 8 -7.846 -0.164 6.945 1.00 0.23 H new ATOM 0 HG12 ILE A 8 -6.098 -0.601 5.299 1.00 0.25 H new ATOM 0 HG13 ILE A 8 -6.038 -1.793 6.582 1.00 0.25 H new ATOM 0 HG21 ILE A 8 -8.097 -2.457 7.788 1.00 0.25 H new ATOM 0 HG22 ILE A 8 -9.663 -1.730 7.360 1.00 0.25 H new ATOM 0 HG23 ILE A 8 -8.908 -2.921 6.274 1.00 0.25 H new ATOM 0 HD11 ILE A 8 -5.689 -2.839 4.399 1.00 0.27 H new ATOM 0 HD12 ILE A 8 -7.198 -3.427 5.138 1.00 0.27 H new ATOM 0 HD13 ILE A 8 -7.258 -2.217 3.835 1.00 0.27 H new ATOM 114 N GLU A 9 -10.505 0.881 6.211 1.00 0.26 N ATOM 115 CA GLU A 9 -11.835 1.269 6.667 1.00 0.28 C ATOM 116 C GLU A 9 -12.761 1.503 5.471 1.00 0.26 C ATOM 117 O GLU A 9 -13.957 1.210 5.519 1.00 0.28 O ATOM 118 CB GLU A 9 -11.716 2.541 7.509 1.00 0.32 C ATOM 119 CG GLU A 9 -13.021 3.018 8.123 1.00 0.40 C ATOM 120 CD GLU A 9 -13.567 2.061 9.161 1.00 0.87 C ATOM 121 OE1 GLU A 9 -12.790 1.607 10.028 1.00 1.01 O ATOM 122 OE2 GLU A 9 -14.784 1.790 9.142 1.00 1.62 O ATOM 0 H GLU A 9 -9.767 1.527 6.490 1.00 0.26 H new ATOM 0 HA GLU A 9 -12.263 0.470 7.272 1.00 0.28 H new ATOM 0 HB2 GLU A 9 -10.996 2.366 8.309 1.00 0.32 H new ATOM 0 HB3 GLU A 9 -11.311 3.337 6.885 1.00 0.32 H new ATOM 0 HG2 GLU A 9 -12.865 3.994 8.582 1.00 0.40 H new ATOM 0 HG3 GLU A 9 -13.761 3.151 7.334 1.00 0.40 H new ATOM 129 N TYR A 10 -12.189 2.029 4.395 1.00 0.28 N ATOM 130 CA TYR A 10 -12.923 2.271 3.162 1.00 0.29 C ATOM 131 C TYR A 10 -13.469 0.954 2.612 1.00 0.28 C ATOM 132 O TYR A 10 -14.647 0.850 2.266 1.00 0.31 O ATOM 133 CB TYR A 10 -12.006 2.947 2.130 1.00 0.31 C ATOM 134 CG TYR A 10 -12.733 3.500 0.920 1.00 0.39 C ATOM 135 CD1 TYR A 10 -13.417 4.707 0.995 1.00 0.50 C ATOM 136 CD2 TYR A 10 -12.735 2.822 -0.295 1.00 0.47 C ATOM 137 CE1 TYR A 10 -14.084 5.221 -0.099 1.00 0.59 C ATOM 138 CE2 TYR A 10 -13.401 3.331 -1.394 1.00 0.57 C ATOM 139 CZ TYR A 10 -14.075 4.531 -1.290 1.00 0.60 C ATOM 140 OH TYR A 10 -14.747 5.040 -2.380 1.00 0.71 O ATOM 0 H TYR A 10 -11.206 2.299 4.354 1.00 0.28 H new ATOM 0 HA TYR A 10 -13.762 2.935 3.370 1.00 0.29 H new ATOM 0 HB2 TYR A 10 -11.466 3.759 2.617 1.00 0.31 H new ATOM 0 HB3 TYR A 10 -11.262 2.225 1.794 1.00 0.31 H new ATOM 0 HD1 TYR A 10 -13.427 5.253 1.927 1.00 0.50 H new ATOM 0 HD2 TYR A 10 -12.208 1.883 -0.381 1.00 0.47 H new ATOM 0 HE1 TYR A 10 -14.611 6.161 -0.021 1.00 0.59 H new ATOM 0 HE2 TYR A 10 -13.394 2.792 -2.330 1.00 0.57 H new ATOM 0 HH TYR A 10 -14.576 4.476 -3.163 1.00 0.71 H new ATOM 150 N LEU A 11 -12.610 -0.057 2.558 1.00 0.27 N ATOM 151 CA LEU A 11 -12.995 -1.354 2.032 1.00 0.28 C ATOM 152 C LEU A 11 -13.974 -2.067 2.955 1.00 0.28 C ATOM 153 O LEU A 11 -14.867 -2.775 2.487 1.00 0.31 O ATOM 154 CB LEU A 11 -11.763 -2.219 1.780 1.00 0.32 C ATOM 155 CG LEU A 11 -10.760 -1.638 0.781 1.00 0.55 C ATOM 156 CD1 LEU A 11 -9.803 -2.717 0.309 1.00 1.14 C ATOM 157 CD2 LEU A 11 -11.476 -0.993 -0.400 1.00 1.24 C ATOM 0 H LEU A 11 -11.642 0.000 2.873 1.00 0.27 H new ATOM 0 HA LEU A 11 -13.503 -1.187 1.082 1.00 0.28 H new ATOM 0 HB2 LEU A 11 -11.253 -2.385 2.729 1.00 0.32 H new ATOM 0 HB3 LEU A 11 -12.090 -3.194 1.419 1.00 0.32 H new ATOM 0 HG LEU A 11 -10.185 -0.861 1.285 1.00 0.55 H new ATOM 0 HD11 LEU A 11 -9.095 -2.290 -0.401 1.00 1.14 H new ATOM 0 HD12 LEU A 11 -9.261 -3.121 1.164 1.00 1.14 H new ATOM 0 HD13 LEU A 11 -10.365 -3.516 -0.175 1.00 1.14 H new ATOM 0 HD21 LEU A 11 -10.740 -0.588 -1.095 1.00 1.24 H new ATOM 0 HD22 LEU A 11 -12.083 -1.741 -0.910 1.00 1.24 H new ATOM 0 HD23 LEU A 11 -12.117 -0.188 -0.041 1.00 1.24 H new ATOM 169 N GLU A 12 -13.813 -1.874 4.258 1.00 0.29 N ATOM 170 CA GLU A 12 -14.735 -2.452 5.231 1.00 0.34 C ATOM 171 C GLU A 12 -16.172 -2.039 4.933 1.00 0.39 C ATOM 172 O GLU A 12 -17.071 -2.876 4.864 1.00 0.43 O ATOM 173 CB GLU A 12 -14.385 -2.008 6.650 1.00 0.40 C ATOM 174 CG GLU A 12 -13.074 -2.557 7.176 1.00 0.39 C ATOM 175 CD GLU A 12 -12.867 -2.219 8.637 1.00 0.81 C ATOM 176 OE1 GLU A 12 -13.873 -2.088 9.365 1.00 1.22 O ATOM 177 OE2 GLU A 12 -11.706 -2.110 9.073 1.00 1.50 O ATOM 0 H GLU A 12 -13.057 -1.324 4.666 1.00 0.29 H new ATOM 0 HA GLU A 12 -14.642 -3.535 5.155 1.00 0.34 H new ATOM 0 HB2 GLU A 12 -14.345 -0.919 6.677 1.00 0.40 H new ATOM 0 HB3 GLU A 12 -15.188 -2.314 7.321 1.00 0.40 H new ATOM 0 HG2 GLU A 12 -13.056 -3.639 7.048 1.00 0.39 H new ATOM 0 HG3 GLU A 12 -12.249 -2.152 6.589 1.00 0.39 H new ATOM 184 N ARG A 13 -16.371 -0.746 4.740 1.00 0.40 N ATOM 185 CA ARG A 13 -17.707 -0.186 4.592 1.00 0.47 C ATOM 186 C ARG A 13 -18.272 -0.411 3.191 1.00 0.45 C ATOM 187 O ARG A 13 -19.424 -0.820 3.040 1.00 0.55 O ATOM 188 CB ARG A 13 -17.675 1.311 4.911 1.00 0.55 C ATOM 189 CG ARG A 13 -17.136 1.613 6.300 1.00 0.80 C ATOM 190 CD ARG A 13 -16.891 3.102 6.512 1.00 0.71 C ATOM 191 NE ARG A 13 -18.124 3.893 6.480 1.00 0.77 N ATOM 192 CZ ARG A 13 -18.148 5.229 6.481 1.00 0.92 C ATOM 193 NH1 ARG A 13 -17.010 5.914 6.518 1.00 1.19 N ATOM 194 NH2 ARG A 13 -19.305 5.882 6.461 1.00 1.10 N ATOM 0 H ARG A 13 -15.620 -0.059 4.682 1.00 0.40 H new ATOM 0 HA ARG A 13 -18.363 -0.701 5.293 1.00 0.47 H new ATOM 0 HB2 ARG A 13 -17.060 1.821 4.170 1.00 0.55 H new ATOM 0 HB3 ARG A 13 -18.683 1.717 4.823 1.00 0.55 H new ATOM 0 HG2 ARG A 13 -17.842 1.253 7.048 1.00 0.80 H new ATOM 0 HG3 ARG A 13 -16.204 1.068 6.453 1.00 0.80 H new ATOM 0 HD2 ARG A 13 -16.395 3.250 7.471 1.00 0.71 H new ATOM 0 HD3 ARG A 13 -16.211 3.467 5.742 1.00 0.71 H new ATOM 0 HE ARG A 13 -19.014 3.396 6.456 1.00 0.77 H new ATOM 0 HH11 ARG A 13 -16.118 5.420 6.546 1.00 1.19 H new ATOM 0 HH12 ARG A 13 -17.028 6.934 6.519 1.00 1.19 H new ATOM 0 HH21 ARG A 13 -20.183 5.363 6.445 1.00 1.10 H new ATOM 0 HH22 ARG A 13 -19.315 6.902 6.462 1.00 1.10 H new ATOM 208 N PHE A 14 -17.466 -0.154 2.169 1.00 0.40 N ATOM 209 CA PHE A 14 -17.973 -0.144 0.800 1.00 0.42 C ATOM 210 C PHE A 14 -17.695 -1.444 0.048 1.00 0.43 C ATOM 211 O PHE A 14 -18.486 -1.854 -0.799 1.00 0.55 O ATOM 212 CB PHE A 14 -17.370 1.028 0.021 1.00 0.42 C ATOM 213 CG PHE A 14 -17.609 2.366 0.658 1.00 0.46 C ATOM 214 CD1 PHE A 14 -18.830 3.009 0.526 1.00 0.61 C ATOM 215 CD2 PHE A 14 -16.611 2.979 1.393 1.00 0.42 C ATOM 216 CE1 PHE A 14 -19.045 4.241 1.117 1.00 0.67 C ATOM 217 CE2 PHE A 14 -16.818 4.205 1.984 1.00 0.50 C ATOM 218 CZ PHE A 14 -18.036 4.840 1.848 1.00 0.60 C ATOM 0 H PHE A 14 -16.470 0.048 2.258 1.00 0.40 H new ATOM 0 HA PHE A 14 -19.055 -0.036 0.874 1.00 0.42 H new ATOM 0 HB2 PHE A 14 -16.296 0.871 -0.080 1.00 0.42 H new ATOM 0 HB3 PHE A 14 -17.787 1.036 -0.986 1.00 0.42 H new ATOM 0 HD1 PHE A 14 -19.621 2.544 -0.044 1.00 0.61 H new ATOM 0 HD2 PHE A 14 -15.655 2.489 1.505 1.00 0.42 H new ATOM 0 HE1 PHE A 14 -20.000 4.734 1.008 1.00 0.67 H new ATOM 0 HE2 PHE A 14 -16.027 4.670 2.554 1.00 0.50 H new ATOM 0 HZ PHE A 14 -18.200 5.802 2.311 1.00 0.60 H new ATOM 228 N SER A 15 -16.587 -2.102 0.343 1.00 0.39 N ATOM 229 CA SER A 15 -16.158 -3.218 -0.492 1.00 0.46 C ATOM 230 C SER A 15 -16.654 -4.560 0.034 1.00 0.49 C ATOM 231 O SER A 15 -17.272 -5.326 -0.703 1.00 0.59 O ATOM 232 CB SER A 15 -14.632 -3.229 -0.627 1.00 0.47 C ATOM 233 OG SER A 15 -14.193 -4.246 -1.512 1.00 1.46 O ATOM 0 H SER A 15 -15.978 -1.892 1.134 1.00 0.39 H new ATOM 0 HA SER A 15 -16.605 -3.073 -1.476 1.00 0.46 H new ATOM 0 HB2 SER A 15 -14.291 -2.259 -0.989 1.00 0.47 H new ATOM 0 HB3 SER A 15 -14.181 -3.380 0.354 1.00 0.47 H new ATOM 0 HG SER A 15 -13.483 -4.768 -1.084 1.00 1.46 H new ATOM 239 N LEU A 16 -16.398 -4.844 1.299 1.00 0.45 N ATOM 240 CA LEU A 16 -16.770 -6.132 1.864 1.00 0.51 C ATOM 241 C LEU A 16 -18.051 -6.044 2.674 1.00 0.57 C ATOM 242 O LEU A 16 -18.716 -7.055 2.906 1.00 0.67 O ATOM 243 CB LEU A 16 -15.642 -6.687 2.739 1.00 0.54 C ATOM 244 CG LEU A 16 -14.502 -7.366 1.978 1.00 0.57 C ATOM 245 CD1 LEU A 16 -13.388 -7.763 2.934 1.00 1.13 C ATOM 246 CD2 LEU A 16 -15.019 -8.591 1.232 1.00 1.33 C ATOM 0 H LEU A 16 -15.938 -4.208 1.950 1.00 0.45 H new ATOM 0 HA LEU A 16 -16.943 -6.810 1.028 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -15.227 -5.871 3.330 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -16.067 -7.405 3.440 1.00 0.54 H new ATOM 0 HG LEU A 16 -14.101 -6.659 1.252 1.00 0.57 H new ATOM 0 HD11 LEU A 16 -12.585 -8.245 2.377 1.00 1.13 H new ATOM 0 HD12 LEU A 16 -13.002 -6.874 3.432 1.00 1.13 H new ATOM 0 HD13 LEU A 16 -13.778 -8.456 3.680 1.00 1.13 H new ATOM 0 HD21 LEU A 16 -14.197 -9.064 0.695 1.00 1.33 H new ATOM 0 HD22 LEU A 16 -15.442 -9.299 1.944 1.00 1.33 H new ATOM 0 HD23 LEU A 16 -15.788 -8.287 0.522 1.00 1.33 H new ATOM 258 N LYS A 17 -18.395 -4.823 3.092 1.00 0.56 N ATOM 259 CA LYS A 17 -19.519 -4.596 4.000 1.00 0.66 C ATOM 260 C LYS A 17 -19.273 -5.336 5.314 1.00 0.72 C ATOM 261 O LYS A 17 -20.200 -5.656 6.060 1.00 0.83 O ATOM 262 CB LYS A 17 -20.853 -5.030 3.370 1.00 0.75 C ATOM 263 CG LYS A 17 -21.342 -4.127 2.239 1.00 0.77 C ATOM 264 CD LYS A 17 -20.615 -4.377 0.926 1.00 1.12 C ATOM 265 CE LYS A 17 -21.233 -3.562 -0.200 1.00 1.28 C ATOM 266 NZ LYS A 17 -20.433 -3.629 -1.452 1.00 2.11 N ATOM 0 H LYS A 17 -17.907 -3.972 2.813 1.00 0.56 H new ATOM 0 HA LYS A 17 -19.591 -3.527 4.198 1.00 0.66 H new ATOM 0 HB2 LYS A 17 -20.747 -6.045 2.987 1.00 0.75 H new ATOM 0 HB3 LYS A 17 -21.615 -5.061 4.149 1.00 0.75 H new ATOM 0 HG2 LYS A 17 -22.411 -4.283 2.092 1.00 0.77 H new ATOM 0 HG3 LYS A 17 -21.209 -3.085 2.529 1.00 0.77 H new ATOM 0 HD2 LYS A 17 -19.562 -4.117 1.033 1.00 1.12 H new ATOM 0 HD3 LYS A 17 -20.657 -5.438 0.678 1.00 1.12 H new ATOM 0 HE2 LYS A 17 -22.242 -3.925 -0.397 1.00 1.28 H new ATOM 0 HE3 LYS A 17 -21.324 -2.522 0.115 1.00 1.28 H new ATOM 0 HZ1 LYS A 17 -20.959 -3.173 -2.225 1.00 2.11 H new ATOM 0 HZ2 LYS A 17 -19.528 -3.137 -1.312 1.00 2.11 H new ATOM 0 HZ3 LYS A 17 -20.252 -4.624 -1.696 1.00 2.11 H new ATOM 280 N ALA A 18 -17.996 -5.581 5.575 1.00 0.68 N ATOM 281 CA ALA A 18 -17.545 -6.317 6.741 1.00 0.75 C ATOM 282 C ALA A 18 -16.152 -5.839 7.122 1.00 0.72 C ATOM 283 O ALA A 18 -15.428 -5.301 6.284 1.00 0.96 O ATOM 284 CB ALA A 18 -17.539 -7.811 6.449 1.00 0.78 C ATOM 0 H ALA A 18 -17.236 -5.268 4.972 1.00 0.68 H new ATOM 0 HA ALA A 18 -18.225 -6.138 7.574 1.00 0.75 H new ATOM 0 HB1 ALA A 18 -17.199 -8.353 7.331 1.00 0.78 H new ATOM 0 HB2 ALA A 18 -18.547 -8.135 6.190 1.00 0.78 H new ATOM 0 HB3 ALA A 18 -16.867 -8.016 5.616 1.00 0.78 H new ATOM 290 N LYS A 19 -15.778 -6.039 8.375 1.00 0.64 N ATOM 291 CA LYS A 19 -14.523 -5.514 8.885 1.00 0.62 C ATOM 292 C LYS A 19 -13.352 -6.415 8.520 1.00 0.55 C ATOM 293 O LYS A 19 -13.399 -7.634 8.713 1.00 0.61 O ATOM 294 CB LYS A 19 -14.600 -5.327 10.402 1.00 0.72 C ATOM 295 CG LYS A 19 -13.382 -4.626 10.977 1.00 0.76 C ATOM 296 CD LYS A 19 -13.657 -4.042 12.349 1.00 1.24 C ATOM 297 CE LYS A 19 -12.549 -3.092 12.771 1.00 2.05 C ATOM 298 NZ LYS A 19 -12.449 -1.920 11.858 1.00 2.59 N ATOM 0 H LYS A 19 -16.326 -6.562 9.058 1.00 0.64 H new ATOM 0 HA LYS A 19 -14.354 -4.544 8.418 1.00 0.62 H new ATOM 0 HB2 LYS A 19 -15.493 -4.751 10.646 1.00 0.72 H new ATOM 0 HB3 LYS A 19 -14.709 -6.302 10.877 1.00 0.72 H new ATOM 0 HG2 LYS A 19 -12.555 -5.333 11.043 1.00 0.76 H new ATOM 0 HG3 LYS A 19 -13.069 -3.831 10.301 1.00 0.76 H new ATOM 0 HD2 LYS A 19 -14.610 -3.513 12.338 1.00 1.24 H new ATOM 0 HD3 LYS A 19 -13.748 -4.847 13.079 1.00 1.24 H new ATOM 0 HE2 LYS A 19 -12.734 -2.746 13.788 1.00 2.05 H new ATOM 0 HE3 LYS A 19 -11.598 -3.625 12.784 1.00 2.05 H new ATOM 0 HZ1 LYS A 19 -12.400 -1.046 12.419 1.00 2.59 H new ATOM 0 HZ2 LYS A 19 -11.592 -2.006 11.276 1.00 2.59 H new ATOM 0 HZ3 LYS A 19 -13.285 -1.889 11.240 1.00 2.59 H new ATOM 312 N ILE A 20 -12.311 -5.788 7.982 1.00 0.48 N ATOM 313 CA ILE A 20 -11.067 -6.464 7.643 1.00 0.45 C ATOM 314 C ILE A 20 -10.462 -7.121 8.883 1.00 0.54 C ATOM 315 O ILE A 20 -10.403 -6.511 9.953 1.00 0.61 O ATOM 316 CB ILE A 20 -10.059 -5.455 7.041 1.00 0.41 C ATOM 317 CG1 ILE A 20 -10.503 -5.006 5.642 1.00 0.34 C ATOM 318 CG2 ILE A 20 -8.649 -6.038 6.993 1.00 0.47 C ATOM 319 CD1 ILE A 20 -10.520 -6.121 4.621 1.00 0.30 C ATOM 0 H ILE A 20 -12.308 -4.791 7.768 1.00 0.48 H new ATOM 0 HA ILE A 20 -11.284 -7.236 6.905 1.00 0.45 H new ATOM 0 HB ILE A 20 -10.039 -4.582 7.694 1.00 0.41 H new ATOM 0 HG12 ILE A 20 -11.501 -4.572 5.709 1.00 0.34 H new ATOM 0 HG13 ILE A 20 -9.835 -4.218 5.294 1.00 0.34 H new ATOM 0 HG21 ILE A 20 -7.966 -5.304 6.565 1.00 0.47 H new ATOM 0 HG22 ILE A 20 -8.325 -6.290 8.003 1.00 0.47 H new ATOM 0 HG23 ILE A 20 -8.648 -6.937 6.377 1.00 0.47 H new ATOM 0 HD11 ILE A 20 -10.844 -5.727 3.658 1.00 0.30 H new ATOM 0 HD12 ILE A 20 -9.519 -6.540 4.524 1.00 0.30 H new ATOM 0 HD13 ILE A 20 -11.210 -6.900 4.945 1.00 0.30 H new ATOM 331 N ASN A 21 -10.018 -8.362 8.735 1.00 0.59 N ATOM 332 CA ASN A 21 -9.493 -9.124 9.857 1.00 0.73 C ATOM 333 C ASN A 21 -8.291 -9.958 9.408 1.00 0.75 C ATOM 334 O ASN A 21 -7.966 -9.984 8.222 1.00 0.71 O ATOM 335 CB ASN A 21 -10.599 -10.022 10.433 1.00 0.83 C ATOM 336 CG ASN A 21 -10.212 -10.702 11.733 1.00 1.27 C ATOM 337 OD1 ASN A 21 -9.419 -10.173 12.512 1.00 1.96 O ATOM 338 ND2 ASN A 21 -10.766 -11.878 11.971 1.00 1.76 N ATOM 0 H ASN A 21 -10.012 -8.862 7.846 1.00 0.59 H new ATOM 0 HA ASN A 21 -9.159 -8.440 10.637 1.00 0.73 H new ATOM 0 HB2 ASN A 21 -11.494 -9.422 10.599 1.00 0.83 H new ATOM 0 HB3 ASN A 21 -10.858 -10.783 9.697 1.00 0.83 H new ATOM 0 HD21 ASN A 21 -10.541 -12.384 12.828 1.00 1.76 H new ATOM 0 HD22 ASN A 21 -11.418 -12.280 11.298 1.00 1.76 H new ATOM 345 N ASN A 22 -7.631 -10.627 10.338 1.00 0.88 N ATOM 346 CA ASN A 22 -6.479 -11.466 10.010 1.00 0.98 C ATOM 347 C ASN A 22 -6.863 -12.569 9.020 1.00 0.93 C ATOM 348 O ASN A 22 -6.101 -12.909 8.112 1.00 1.05 O ATOM 349 CB ASN A 22 -5.912 -12.088 11.290 1.00 1.19 C ATOM 350 CG ASN A 22 -4.719 -12.997 11.041 1.00 1.98 C ATOM 351 OD1 ASN A 22 -4.546 -14.004 11.725 1.00 2.79 O ATOM 352 ND2 ASN A 22 -3.877 -12.640 10.084 1.00 2.54 N ATOM 0 H ASN A 22 -7.870 -10.609 11.330 1.00 0.88 H new ATOM 0 HA ASN A 22 -5.721 -10.839 9.541 1.00 0.98 H new ATOM 0 HB2 ASN A 22 -5.616 -11.291 11.972 1.00 1.19 H new ATOM 0 HB3 ASN A 22 -6.697 -12.658 11.787 1.00 1.19 H new ATOM 0 HD21 ASN A 22 -3.051 -13.208 9.893 1.00 2.54 H new ATOM 0 HD22 ASN A 22 -4.054 -11.797 9.537 1.00 2.54 H new ATOM 359 N THR A 23 -8.067 -13.095 9.180 1.00 0.85 N ATOM 360 CA THR A 23 -8.514 -14.241 8.410 1.00 0.88 C ATOM 361 C THR A 23 -9.134 -13.849 7.066 1.00 0.71 C ATOM 362 O THR A 23 -9.511 -14.718 6.278 1.00 0.74 O ATOM 363 CB THR A 23 -9.528 -15.058 9.228 1.00 1.04 C ATOM 364 OG1 THR A 23 -10.336 -14.168 10.010 1.00 1.30 O ATOM 365 CG2 THR A 23 -8.819 -16.046 10.143 1.00 1.69 C ATOM 0 H THR A 23 -8.757 -12.741 9.843 1.00 0.85 H new ATOM 0 HA THR A 23 -7.631 -14.842 8.194 1.00 0.88 H new ATOM 0 HB THR A 23 -10.158 -15.621 8.539 1.00 1.04 H new ATOM 0 HG1 THR A 23 -10.984 -14.687 10.531 1.00 1.30 H new ATOM 0 HG21 THR A 23 -9.558 -16.611 10.711 1.00 1.69 H new ATOM 0 HG22 THR A 23 -8.220 -16.731 9.544 1.00 1.69 H new ATOM 0 HG23 THR A 23 -8.170 -15.504 10.831 1.00 1.69 H new ATOM 373 N THR A 24 -9.249 -12.556 6.797 1.00 0.57 N ATOM 374 CA THR A 24 -9.821 -12.115 5.534 1.00 0.45 C ATOM 375 C THR A 24 -8.743 -11.948 4.464 1.00 0.42 C ATOM 376 O THR A 24 -7.813 -11.155 4.621 1.00 0.50 O ATOM 377 CB THR A 24 -10.605 -10.796 5.689 1.00 0.44 C ATOM 378 OG1 THR A 24 -9.797 -9.801 6.325 1.00 1.08 O ATOM 379 CG2 THR A 24 -11.878 -11.014 6.495 1.00 0.92 C ATOM 0 H THR A 24 -8.959 -11.806 7.425 1.00 0.57 H new ATOM 0 HA THR A 24 -10.516 -12.893 5.218 1.00 0.45 H new ATOM 0 HB THR A 24 -10.876 -10.450 4.691 1.00 0.44 H new ATOM 0 HG1 THR A 24 -9.004 -10.224 6.715 1.00 1.08 H new ATOM 0 HG21 THR A 24 -12.414 -10.070 6.591 1.00 0.92 H new ATOM 0 HG22 THR A 24 -12.511 -11.741 5.986 1.00 0.92 H new ATOM 0 HG23 THR A 24 -11.622 -11.388 7.486 1.00 0.92 H new ATOM 387 N ASN A 25 -8.872 -12.707 3.383 1.00 0.43 N ATOM 388 CA ASN A 25 -7.972 -12.587 2.241 1.00 0.52 C ATOM 389 C ASN A 25 -8.447 -11.464 1.339 1.00 0.50 C ATOM 390 O ASN A 25 -9.434 -11.613 0.615 1.00 0.52 O ATOM 391 CB ASN A 25 -7.913 -13.902 1.455 1.00 0.64 C ATOM 392 CG ASN A 25 -7.321 -15.042 2.257 1.00 0.91 C ATOM 393 OD1 ASN A 25 -8.029 -15.743 2.980 1.00 1.72 O ATOM 394 ND2 ASN A 25 -6.022 -15.255 2.112 1.00 1.40 N ATOM 0 H ASN A 25 -9.596 -13.417 3.272 1.00 0.43 H new ATOM 0 HA ASN A 25 -6.970 -12.363 2.606 1.00 0.52 H new ATOM 0 HB2 ASN A 25 -8.919 -14.174 1.135 1.00 0.64 H new ATOM 0 HB3 ASN A 25 -7.321 -13.754 0.552 1.00 0.64 H new ATOM 0 HD21 ASN A 25 -5.573 -16.024 2.610 1.00 1.40 H new ATOM 0 HD22 ASN A 25 -5.471 -14.650 1.503 1.00 1.40 H new ATOM 401 N LEU A 26 -7.740 -10.343 1.395 1.00 0.56 N ATOM 402 CA LEU A 26 -8.127 -9.142 0.660 1.00 0.60 C ATOM 403 C LEU A 26 -8.249 -9.416 -0.836 1.00 0.60 C ATOM 404 O LEU A 26 -9.072 -8.806 -1.509 1.00 0.63 O ATOM 405 CB LEU A 26 -7.110 -8.024 0.893 1.00 0.68 C ATOM 406 CG LEU A 26 -7.485 -6.676 0.276 1.00 0.78 C ATOM 407 CD1 LEU A 26 -8.709 -6.097 0.968 1.00 1.36 C ATOM 408 CD2 LEU A 26 -6.317 -5.708 0.354 1.00 1.61 C ATOM 0 H LEU A 26 -6.888 -10.239 1.946 1.00 0.56 H new ATOM 0 HA LEU A 26 -9.103 -8.831 1.033 1.00 0.60 H new ATOM 0 HB2 LEU A 26 -6.977 -7.892 1.967 1.00 0.68 H new ATOM 0 HB3 LEU A 26 -6.148 -8.338 0.488 1.00 0.68 H new ATOM 0 HG LEU A 26 -7.727 -6.834 -0.775 1.00 0.78 H new ATOM 0 HD11 LEU A 26 -8.962 -5.138 0.517 1.00 1.36 H new ATOM 0 HD12 LEU A 26 -9.548 -6.783 0.857 1.00 1.36 H new ATOM 0 HD13 LEU A 26 -8.495 -5.954 2.027 1.00 1.36 H new ATOM 0 HD21 LEU A 26 -6.604 -4.755 -0.090 1.00 1.61 H new ATOM 0 HD22 LEU A 26 -6.041 -5.554 1.397 1.00 1.61 H new ATOM 0 HD23 LEU A 26 -5.466 -6.120 -0.189 1.00 1.61 H new ATOM 420 N ASP A 27 -7.436 -10.343 -1.334 1.00 0.60 N ATOM 421 CA ASP A 27 -7.397 -10.691 -2.760 1.00 0.61 C ATOM 422 C ASP A 27 -8.788 -10.950 -3.334 1.00 0.64 C ATOM 423 O ASP A 27 -9.092 -10.535 -4.454 1.00 0.71 O ATOM 424 CB ASP A 27 -6.514 -11.927 -2.958 1.00 0.63 C ATOM 425 CG ASP A 27 -6.577 -12.498 -4.363 1.00 0.60 C ATOM 426 OD1 ASP A 27 -6.349 -11.750 -5.335 1.00 0.80 O ATOM 427 OD2 ASP A 27 -6.826 -13.713 -4.494 1.00 0.73 O ATOM 0 H ASP A 27 -6.782 -10.878 -0.763 1.00 0.60 H new ATOM 0 HA ASP A 27 -6.981 -9.839 -3.297 1.00 0.61 H new ATOM 0 HB2 ASP A 27 -5.481 -11.667 -2.726 1.00 0.63 H new ATOM 0 HB3 ASP A 27 -6.816 -12.697 -2.248 1.00 0.63 H new ATOM 432 N TYR A 28 -9.646 -11.590 -2.549 1.00 0.70 N ATOM 433 CA TYR A 28 -10.968 -11.981 -3.025 1.00 0.84 C ATOM 434 C TYR A 28 -11.875 -10.771 -3.259 1.00 0.89 C ATOM 435 O TYR A 28 -12.986 -10.911 -3.766 1.00 1.21 O ATOM 436 CB TYR A 28 -11.618 -12.972 -2.057 1.00 0.96 C ATOM 437 CG TYR A 28 -10.860 -14.279 -1.953 1.00 0.93 C ATOM 438 CD1 TYR A 28 -10.513 -14.993 -3.094 1.00 1.22 C ATOM 439 CD2 TYR A 28 -10.475 -14.789 -0.720 1.00 1.09 C ATOM 440 CE1 TYR A 28 -9.808 -16.178 -3.009 1.00 1.31 C ATOM 441 CE2 TYR A 28 -9.766 -15.972 -0.628 1.00 1.13 C ATOM 442 CZ TYR A 28 -9.436 -16.663 -1.775 1.00 1.08 C ATOM 443 OH TYR A 28 -8.722 -17.837 -1.688 1.00 1.22 O ATOM 0 H TYR A 28 -9.451 -11.849 -1.582 1.00 0.70 H new ATOM 0 HA TYR A 28 -10.835 -12.473 -3.989 1.00 0.84 H new ATOM 0 HB2 TYR A 28 -11.684 -12.517 -1.069 1.00 0.96 H new ATOM 0 HB3 TYR A 28 -12.638 -13.175 -2.383 1.00 0.96 H new ATOM 0 HD1 TYR A 28 -10.800 -14.615 -4.064 1.00 1.22 H new ATOM 0 HD2 TYR A 28 -10.734 -14.253 0.181 1.00 1.09 H new ATOM 0 HE1 TYR A 28 -9.550 -16.721 -3.906 1.00 1.31 H new ATOM 0 HE2 TYR A 28 -9.472 -16.354 0.338 1.00 1.13 H new ATOM 0 HH TYR A 28 -8.538 -18.039 -0.747 1.00 1.22 H new ATOM 453 N SER A 29 -11.434 -9.597 -2.837 1.00 0.70 N ATOM 454 CA SER A 29 -12.072 -8.359 -3.257 1.00 0.71 C ATOM 455 C SER A 29 -11.106 -7.534 -4.097 1.00 0.59 C ATOM 456 O SER A 29 -11.451 -7.036 -5.167 1.00 0.61 O ATOM 457 CB SER A 29 -12.501 -7.541 -2.048 1.00 0.81 C ATOM 458 OG SER A 29 -12.998 -8.383 -1.027 1.00 1.03 O ATOM 0 H SER A 29 -10.641 -9.475 -2.207 1.00 0.70 H new ATOM 0 HA SER A 29 -12.952 -8.613 -3.848 1.00 0.71 H new ATOM 0 HB2 SER A 29 -11.654 -6.966 -1.672 1.00 0.81 H new ATOM 0 HB3 SER A 29 -13.268 -6.824 -2.341 1.00 0.81 H new ATOM 0 HG SER A 29 -13.810 -8.833 -1.340 1.00 1.03 H new ATOM 464 N ARG A 30 -9.873 -7.450 -3.606 1.00 0.54 N ATOM 465 CA ARG A 30 -8.871 -6.521 -4.108 1.00 0.52 C ATOM 466 C ARG A 30 -8.561 -6.766 -5.578 1.00 0.42 C ATOM 467 O ARG A 30 -8.318 -5.823 -6.330 1.00 0.40 O ATOM 468 CB ARG A 30 -7.597 -6.633 -3.259 1.00 0.58 C ATOM 469 CG ARG A 30 -6.692 -5.424 -3.347 1.00 0.86 C ATOM 470 CD ARG A 30 -7.365 -4.204 -2.758 1.00 1.15 C ATOM 471 NE ARG A 30 -6.457 -3.065 -2.687 1.00 1.84 N ATOM 472 CZ ARG A 30 -6.857 -1.800 -2.604 1.00 2.40 C ATOM 473 NH1 ARG A 30 -8.155 -1.509 -2.566 1.00 2.56 N ATOM 474 NH2 ARG A 30 -5.955 -0.827 -2.557 1.00 3.30 N ATOM 0 H ARG A 30 -9.540 -8.033 -2.839 1.00 0.54 H new ATOM 0 HA ARG A 30 -9.271 -5.510 -4.029 1.00 0.52 H new ATOM 0 HB2 ARG A 30 -7.879 -6.788 -2.218 1.00 0.58 H new ATOM 0 HB3 ARG A 30 -7.039 -7.515 -3.573 1.00 0.58 H new ATOM 0 HG2 ARG A 30 -5.760 -5.622 -2.817 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -6.432 -5.234 -4.388 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -8.232 -3.940 -3.363 1.00 1.15 H new ATOM 0 HD3 ARG A 30 -7.733 -4.439 -1.759 1.00 1.15 H new ATOM 0 HE ARG A 30 -5.454 -3.250 -2.702 1.00 1.84 H new ATOM 0 HH11 ARG A 30 -8.847 -2.258 -2.601 1.00 2.56 H new ATOM 0 HH12 ARG A 30 -8.458 -0.537 -2.502 1.00 2.56 H new ATOM 0 HH21 ARG A 30 -4.960 -1.052 -2.585 1.00 3.30 H new ATOM 0 HH22 ARG A 30 -6.257 0.145 -2.493 1.00 3.30 H new ATOM 488 N ARG A 31 -8.604 -8.024 -5.989 1.00 0.42 N ATOM 489 CA ARG A 31 -8.292 -8.387 -7.365 1.00 0.45 C ATOM 490 C ARG A 31 -9.329 -7.811 -8.333 1.00 0.46 C ATOM 491 O ARG A 31 -9.033 -7.546 -9.497 1.00 0.57 O ATOM 492 CB ARG A 31 -8.237 -9.909 -7.506 1.00 0.57 C ATOM 493 CG ARG A 31 -7.626 -10.378 -8.813 1.00 0.83 C ATOM 494 CD ARG A 31 -7.806 -11.872 -9.009 1.00 1.22 C ATOM 495 NE ARG A 31 -7.267 -12.660 -7.905 1.00 1.73 N ATOM 496 CZ ARG A 31 -6.935 -13.944 -8.016 1.00 2.33 C ATOM 497 NH1 ARG A 31 -6.982 -14.547 -9.200 1.00 2.65 N ATOM 498 NH2 ARG A 31 -6.547 -14.626 -6.950 1.00 3.18 N ATOM 0 H ARG A 31 -8.852 -8.812 -5.390 1.00 0.42 H new ATOM 0 HA ARG A 31 -7.318 -7.966 -7.615 1.00 0.45 H new ATOM 0 HB2 ARG A 31 -7.661 -10.321 -6.677 1.00 0.57 H new ATOM 0 HB3 ARG A 31 -9.247 -10.310 -7.423 1.00 0.57 H new ATOM 0 HG2 ARG A 31 -8.087 -9.843 -9.643 1.00 0.83 H new ATOM 0 HG3 ARG A 31 -6.564 -10.134 -8.827 1.00 0.83 H new ATOM 0 HD2 ARG A 31 -8.867 -12.093 -9.122 1.00 1.22 H new ATOM 0 HD3 ARG A 31 -7.317 -12.173 -9.936 1.00 1.22 H new ATOM 0 HE ARG A 31 -7.138 -12.203 -7.002 1.00 1.73 H new ATOM 0 HH11 ARG A 31 -7.273 -14.025 -10.027 1.00 2.65 H new ATOM 0 HH12 ARG A 31 -6.727 -15.531 -9.282 1.00 2.65 H new ATOM 0 HH21 ARG A 31 -6.502 -14.168 -6.040 1.00 3.18 H new ATOM 0 HH22 ARG A 31 -6.293 -15.610 -7.039 1.00 3.18 H new ATOM 512 N PHE A 32 -10.547 -7.606 -7.844 1.00 0.45 N ATOM 513 CA PHE A 32 -11.626 -7.094 -8.683 1.00 0.49 C ATOM 514 C PHE A 32 -11.771 -5.590 -8.498 1.00 0.43 C ATOM 515 O PHE A 32 -12.537 -4.934 -9.201 1.00 0.49 O ATOM 516 CB PHE A 32 -12.950 -7.773 -8.333 1.00 0.59 C ATOM 517 CG PHE A 32 -12.832 -9.250 -8.114 1.00 0.98 C ATOM 518 CD1 PHE A 32 -12.644 -10.122 -9.175 1.00 1.54 C ATOM 519 CD2 PHE A 32 -12.906 -9.764 -6.834 1.00 1.11 C ATOM 520 CE1 PHE A 32 -12.532 -11.483 -8.955 1.00 2.18 C ATOM 521 CE2 PHE A 32 -12.796 -11.116 -6.608 1.00 1.68 C ATOM 522 CZ PHE A 32 -12.609 -11.980 -7.668 1.00 2.21 C ATOM 0 H PHE A 32 -10.812 -7.785 -6.875 1.00 0.45 H new ATOM 0 HA PHE A 32 -11.377 -7.311 -9.722 1.00 0.49 H new ATOM 0 HB2 PHE A 32 -13.357 -7.313 -7.432 1.00 0.59 H new ATOM 0 HB3 PHE A 32 -13.665 -7.590 -9.135 1.00 0.59 H new ATOM 0 HD1 PHE A 32 -12.584 -9.736 -10.182 1.00 1.54 H new ATOM 0 HD2 PHE A 32 -13.052 -9.095 -5.999 1.00 1.11 H new ATOM 0 HE1 PHE A 32 -12.385 -12.156 -9.787 1.00 2.18 H new ATOM 0 HE2 PHE A 32 -12.856 -11.502 -5.601 1.00 1.68 H new ATOM 0 HZ PHE A 32 -12.523 -13.042 -7.492 1.00 2.21 H new ATOM 532 N LEU A 33 -11.026 -5.047 -7.549 1.00 0.41 N ATOM 533 CA LEU A 33 -11.122 -3.635 -7.227 1.00 0.39 C ATOM 534 C LEU A 33 -10.209 -2.811 -8.133 1.00 0.30 C ATOM 535 O LEU A 33 -10.248 -1.584 -8.108 1.00 0.31 O ATOM 536 CB LEU A 33 -10.769 -3.398 -5.753 1.00 0.47 C ATOM 537 CG LEU A 33 -11.627 -4.155 -4.739 1.00 0.63 C ATOM 538 CD1 LEU A 33 -11.256 -3.747 -3.321 1.00 0.74 C ATOM 539 CD2 LEU A 33 -13.110 -3.918 -4.997 1.00 0.72 C ATOM 0 H LEU A 33 -10.348 -5.564 -6.989 1.00 0.41 H new ATOM 0 HA LEU A 33 -12.150 -3.314 -7.395 1.00 0.39 H new ATOM 0 HB2 LEU A 33 -9.726 -3.675 -5.599 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -10.849 -2.331 -5.546 1.00 0.47 H new ATOM 0 HG LEU A 33 -11.432 -5.221 -4.854 1.00 0.63 H new ATOM 0 HD11 LEU A 33 -11.876 -4.295 -2.611 1.00 0.74 H new ATOM 0 HD12 LEU A 33 -10.206 -3.977 -3.139 1.00 0.74 H new ATOM 0 HD13 LEU A 33 -11.420 -2.677 -3.196 1.00 0.74 H new ATOM 0 HD21 LEU A 33 -13.699 -4.467 -4.263 1.00 0.72 H new ATOM 0 HD22 LEU A 33 -13.328 -2.853 -4.914 1.00 0.72 H new ATOM 0 HD23 LEU A 33 -13.365 -4.264 -5.999 1.00 0.72 H new ATOM 551 N GLU A 34 -9.406 -3.503 -8.945 1.00 0.27 N ATOM 552 CA GLU A 34 -8.460 -2.859 -9.865 1.00 0.25 C ATOM 553 C GLU A 34 -9.055 -1.679 -10.640 1.00 0.25 C ATOM 554 O GLU A 34 -8.472 -0.598 -10.628 1.00 0.26 O ATOM 555 CB GLU A 34 -7.898 -3.871 -10.859 1.00 0.28 C ATOM 556 CG GLU A 34 -6.694 -4.620 -10.340 1.00 0.35 C ATOM 557 CD GLU A 34 -6.081 -5.515 -11.389 1.00 0.48 C ATOM 558 OE1 GLU A 34 -6.574 -6.642 -11.580 1.00 0.65 O ATOM 559 OE2 GLU A 34 -5.104 -5.091 -12.042 1.00 0.71 O ATOM 0 H GLU A 34 -9.392 -4.522 -8.985 1.00 0.27 H new ATOM 0 HA GLU A 34 -7.667 -2.463 -9.231 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -8.678 -4.587 -11.117 1.00 0.28 H new ATOM 0 HB3 GLU A 34 -7.625 -3.353 -11.778 1.00 0.28 H new ATOM 0 HG2 GLU A 34 -5.947 -3.906 -9.993 1.00 0.35 H new ATOM 0 HG3 GLU A 34 -6.986 -5.221 -9.479 1.00 0.35 H new ATOM 566 N PRO A 35 -10.206 -1.845 -11.335 1.00 0.28 N ATOM 567 CA PRO A 35 -10.782 -0.761 -12.140 1.00 0.33 C ATOM 568 C PRO A 35 -11.089 0.491 -11.316 1.00 0.32 C ATOM 569 O PRO A 35 -11.139 1.601 -11.850 1.00 0.36 O ATOM 570 CB PRO A 35 -12.073 -1.363 -12.711 1.00 0.41 C ATOM 571 CG PRO A 35 -12.355 -2.559 -11.868 1.00 0.54 C ATOM 572 CD PRO A 35 -11.018 -3.073 -11.426 1.00 0.30 C ATOM 0 HA PRO A 35 -10.085 -0.426 -12.908 1.00 0.33 H new ATOM 0 HB2 PRO A 35 -12.894 -0.648 -12.666 1.00 0.41 H new ATOM 0 HB3 PRO A 35 -11.948 -1.640 -13.758 1.00 0.41 H new ATOM 0 HG2 PRO A 35 -12.975 -2.296 -11.011 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -12.898 -3.317 -12.433 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -11.080 -3.588 -10.467 1.00 0.30 H new ATOM 0 HD3 PRO A 35 -10.601 -3.781 -12.142 1.00 0.30 H new ATOM 580 N PHE A 36 -11.283 0.307 -10.015 1.00 0.32 N ATOM 581 CA PHE A 36 -11.532 1.421 -9.114 1.00 0.36 C ATOM 582 C PHE A 36 -10.214 2.055 -8.682 1.00 0.34 C ATOM 583 O PHE A 36 -10.062 3.273 -8.723 1.00 0.37 O ATOM 584 CB PHE A 36 -12.322 0.954 -7.885 1.00 0.44 C ATOM 585 CG PHE A 36 -12.549 2.037 -6.865 1.00 0.51 C ATOM 586 CD1 PHE A 36 -13.544 2.984 -7.049 1.00 0.58 C ATOM 587 CD2 PHE A 36 -11.761 2.111 -5.727 1.00 0.57 C ATOM 588 CE1 PHE A 36 -13.749 3.984 -6.116 1.00 0.67 C ATOM 589 CE2 PHE A 36 -11.961 3.109 -4.793 1.00 0.67 C ATOM 590 CZ PHE A 36 -12.956 4.047 -4.988 1.00 0.72 C ATOM 0 H PHE A 36 -11.272 -0.607 -9.562 1.00 0.32 H new ATOM 0 HA PHE A 36 -12.125 2.167 -9.644 1.00 0.36 H new ATOM 0 HB2 PHE A 36 -13.287 0.565 -8.210 1.00 0.44 H new ATOM 0 HB3 PHE A 36 -11.789 0.129 -7.413 1.00 0.44 H new ATOM 0 HD1 PHE A 36 -14.166 2.941 -7.931 1.00 0.58 H new ATOM 0 HD2 PHE A 36 -10.982 1.380 -5.569 1.00 0.57 H new ATOM 0 HE1 PHE A 36 -14.529 4.715 -6.270 1.00 0.67 H new ATOM 0 HE2 PHE A 36 -11.340 3.156 -3.911 1.00 0.67 H new ATOM 0 HZ PHE A 36 -13.113 4.828 -4.259 1.00 0.72 H new ATOM 600 N LEU A 37 -9.261 1.215 -8.284 1.00 0.32 N ATOM 601 CA LEU A 37 -7.956 1.687 -7.817 1.00 0.34 C ATOM 602 C LEU A 37 -7.182 2.355 -8.943 1.00 0.30 C ATOM 603 O LEU A 37 -6.319 3.196 -8.699 1.00 0.31 O ATOM 604 CB LEU A 37 -7.121 0.535 -7.244 1.00 0.39 C ATOM 605 CG LEU A 37 -7.449 0.113 -5.808 1.00 0.47 C ATOM 606 CD1 LEU A 37 -7.291 1.278 -4.854 1.00 1.04 C ATOM 607 CD2 LEU A 37 -8.849 -0.455 -5.709 1.00 0.90 C ATOM 0 H LEU A 37 -9.367 0.201 -8.275 1.00 0.32 H new ATOM 0 HA LEU A 37 -8.142 2.416 -7.029 1.00 0.34 H new ATOM 0 HB2 LEU A 37 -7.243 -0.332 -7.893 1.00 0.39 H new ATOM 0 HB3 LEU A 37 -6.070 0.819 -7.286 1.00 0.39 H new ATOM 0 HG LEU A 37 -6.742 -0.668 -5.526 1.00 0.47 H new ATOM 0 HD11 LEU A 37 -7.529 0.954 -3.841 1.00 1.04 H new ATOM 0 HD12 LEU A 37 -6.263 1.639 -4.887 1.00 1.04 H new ATOM 0 HD13 LEU A 37 -7.967 2.082 -5.146 1.00 1.04 H new ATOM 0 HD21 LEU A 37 -9.052 -0.745 -4.678 1.00 0.90 H new ATOM 0 HD22 LEU A 37 -9.571 0.299 -6.022 1.00 0.90 H new ATOM 0 HD23 LEU A 37 -8.934 -1.329 -6.355 1.00 0.90 H new ATOM 619 N ARG A 38 -7.491 1.959 -10.168 1.00 0.30 N ATOM 620 CA ARG A 38 -6.857 2.523 -11.344 1.00 0.34 C ATOM 621 C ARG A 38 -7.299 3.966 -11.549 1.00 0.34 C ATOM 622 O ARG A 38 -8.257 4.242 -12.271 1.00 0.43 O ATOM 623 CB ARG A 38 -7.205 1.689 -12.576 1.00 0.45 C ATOM 624 CG ARG A 38 -6.464 2.113 -13.832 1.00 0.56 C ATOM 625 CD ARG A 38 -7.002 1.393 -15.053 1.00 0.90 C ATOM 626 NE ARG A 38 -6.905 -0.063 -14.927 1.00 1.91 N ATOM 627 CZ ARG A 38 -7.790 -0.919 -15.446 1.00 2.44 C ATOM 628 NH1 ARG A 38 -8.845 -0.467 -16.110 1.00 2.16 N ATOM 629 NH2 ARG A 38 -7.620 -2.226 -15.304 1.00 3.59 N ATOM 0 H ARG A 38 -8.186 1.241 -10.372 1.00 0.30 H new ATOM 0 HA ARG A 38 -5.777 2.509 -11.197 1.00 0.34 H new ATOM 0 HB2 ARG A 38 -6.982 0.642 -12.370 1.00 0.45 H new ATOM 0 HB3 ARG A 38 -8.278 1.756 -12.758 1.00 0.45 H new ATOM 0 HG2 ARG A 38 -6.561 3.190 -13.969 1.00 0.56 H new ATOM 0 HG3 ARG A 38 -5.401 1.900 -13.720 1.00 0.56 H new ATOM 0 HD2 ARG A 38 -8.044 1.674 -15.208 1.00 0.90 H new ATOM 0 HD3 ARG A 38 -6.450 1.717 -15.936 1.00 0.90 H new ATOM 0 HE ARG A 38 -6.113 -0.447 -14.411 1.00 1.91 H new ATOM 0 HH11 ARG A 38 -8.983 0.537 -16.226 1.00 2.16 H new ATOM 0 HH12 ARG A 38 -9.519 -1.123 -16.505 1.00 2.16 H new ATOM 0 HH21 ARG A 38 -6.810 -2.583 -14.796 1.00 3.59 H new ATOM 0 HH22 ARG A 38 -8.299 -2.875 -15.702 1.00 3.59 H new ATOM 643 N GLY A 39 -6.600 4.879 -10.903 1.00 0.29 N ATOM 644 CA GLY A 39 -6.912 6.283 -11.035 1.00 0.29 C ATOM 645 C GLY A 39 -7.501 6.878 -9.771 1.00 0.28 C ATOM 646 O GLY A 39 -8.469 7.637 -9.837 1.00 0.38 O ATOM 0 H GLY A 39 -5.816 4.672 -10.285 1.00 0.29 H new ATOM 0 HA2 GLY A 39 -6.006 6.828 -11.299 1.00 0.29 H new ATOM 0 HA3 GLY A 39 -7.616 6.418 -11.856 1.00 0.29 H new ATOM 650 N ILE A 40 -6.936 6.540 -8.615 1.00 0.26 N ATOM 651 CA ILE A 40 -7.356 7.185 -7.367 1.00 0.25 C ATOM 652 C ILE A 40 -6.217 8.016 -6.802 1.00 0.26 C ATOM 653 O ILE A 40 -5.093 7.952 -7.293 1.00 0.32 O ATOM 654 CB ILE A 40 -7.831 6.197 -6.267 1.00 0.23 C ATOM 655 CG1 ILE A 40 -6.706 5.249 -5.846 1.00 0.21 C ATOM 656 CG2 ILE A 40 -9.048 5.410 -6.727 1.00 0.24 C ATOM 657 CD1 ILE A 40 -6.969 4.543 -4.530 1.00 0.23 C ATOM 0 H ILE A 40 -6.202 5.839 -8.512 1.00 0.26 H new ATOM 0 HA ILE A 40 -8.212 7.805 -7.635 1.00 0.25 H new ATOM 0 HB ILE A 40 -8.116 6.789 -5.397 1.00 0.23 H new ATOM 0 HG12 ILE A 40 -6.560 4.502 -6.627 1.00 0.21 H new ATOM 0 HG13 ILE A 40 -5.777 5.813 -5.767 1.00 0.21 H new ATOM 0 HG21 ILE A 40 -9.359 4.726 -5.937 1.00 0.24 H new ATOM 0 HG22 ILE A 40 -9.863 6.098 -6.952 1.00 0.24 H new ATOM 0 HG23 ILE A 40 -8.796 4.841 -7.622 1.00 0.24 H new ATOM 0 HD11 ILE A 40 -6.130 3.888 -4.295 1.00 0.23 H new ATOM 0 HD12 ILE A 40 -7.085 5.282 -3.737 1.00 0.23 H new ATOM 0 HD13 ILE A 40 -7.881 3.951 -4.611 1.00 0.23 H new ATOM 669 N ASN A 41 -6.508 8.801 -5.780 1.00 0.31 N ATOM 670 CA ASN A 41 -5.481 9.571 -5.099 1.00 0.33 C ATOM 671 C ASN A 41 -5.484 9.227 -3.620 1.00 0.32 C ATOM 672 O ASN A 41 -6.506 9.362 -2.946 1.00 0.40 O ATOM 673 CB ASN A 41 -5.692 11.076 -5.290 1.00 0.43 C ATOM 674 CG ASN A 41 -5.415 11.542 -6.705 1.00 1.11 C ATOM 675 OD1 ASN A 41 -4.277 11.853 -7.057 1.00 1.99 O ATOM 676 ND2 ASN A 41 -6.455 11.622 -7.520 1.00 1.65 N ATOM 0 H ASN A 41 -7.448 8.922 -5.403 1.00 0.31 H new ATOM 0 HA ASN A 41 -4.515 9.313 -5.533 1.00 0.33 H new ATOM 0 HB2 ASN A 41 -6.719 11.329 -5.025 1.00 0.43 H new ATOM 0 HB3 ASN A 41 -5.043 11.618 -4.602 1.00 0.43 H new ATOM 0 HD21 ASN A 41 -6.329 11.951 -8.477 1.00 1.65 H new ATOM 0 HD22 ASN A 41 -7.383 11.355 -7.191 1.00 1.65 H new ATOM 683 N VAL A 42 -4.347 8.770 -3.121 1.00 0.29 N ATOM 684 CA VAL A 42 -4.243 8.358 -1.732 1.00 0.31 C ATOM 685 C VAL A 42 -3.300 9.272 -0.982 1.00 0.23 C ATOM 686 O VAL A 42 -2.222 9.593 -1.469 1.00 0.23 O ATOM 687 CB VAL A 42 -3.731 6.902 -1.583 1.00 0.39 C ATOM 688 CG1 VAL A 42 -4.775 5.900 -2.037 1.00 0.66 C ATOM 689 CG2 VAL A 42 -2.432 6.699 -2.348 1.00 0.93 C ATOM 0 H VAL A 42 -3.484 8.675 -3.657 1.00 0.29 H new ATOM 0 HA VAL A 42 -5.249 8.416 -1.317 1.00 0.31 H new ATOM 0 HB VAL A 42 -3.537 6.731 -0.524 1.00 0.39 H new ATOM 0 HG11 VAL A 42 -4.384 4.889 -1.920 1.00 0.66 H new ATOM 0 HG12 VAL A 42 -5.675 6.014 -1.433 1.00 0.66 H new ATOM 0 HG13 VAL A 42 -5.017 6.076 -3.085 1.00 0.66 H new ATOM 0 HG21 VAL A 42 -2.095 5.669 -2.226 1.00 0.93 H new ATOM 0 HG22 VAL A 42 -2.597 6.904 -3.406 1.00 0.93 H new ATOM 0 HG23 VAL A 42 -1.672 7.377 -1.961 1.00 0.93 H new ATOM 699 N VAL A 43 -3.707 9.698 0.192 1.00 0.21 N ATOM 700 CA VAL A 43 -2.801 10.390 1.073 1.00 0.19 C ATOM 701 C VAL A 43 -2.065 9.343 1.881 1.00 0.21 C ATOM 702 O VAL A 43 -2.608 8.768 2.826 1.00 0.24 O ATOM 703 CB VAL A 43 -3.541 11.364 2.014 1.00 0.22 C ATOM 704 CG1 VAL A 43 -2.556 12.136 2.882 1.00 0.22 C ATOM 705 CG2 VAL A 43 -4.410 12.316 1.210 1.00 0.25 C ATOM 0 H VAL A 43 -4.653 9.578 0.555 1.00 0.21 H new ATOM 0 HA VAL A 43 -2.110 10.991 0.482 1.00 0.19 H new ATOM 0 HB VAL A 43 -4.184 10.781 2.674 1.00 0.22 H new ATOM 0 HG11 VAL A 43 -3.102 12.816 3.536 1.00 0.22 H new ATOM 0 HG12 VAL A 43 -1.978 11.437 3.486 1.00 0.22 H new ATOM 0 HG13 VAL A 43 -1.882 12.709 2.246 1.00 0.22 H new ATOM 0 HG21 VAL A 43 -4.926 12.997 1.887 1.00 0.25 H new ATOM 0 HG22 VAL A 43 -3.785 12.889 0.525 1.00 0.25 H new ATOM 0 HG23 VAL A 43 -5.144 11.746 0.640 1.00 0.25 H new ATOM 715 N TYR A 44 -0.838 9.080 1.492 1.00 0.22 N ATOM 716 CA TYR A 44 -0.080 8.012 2.094 1.00 0.26 C ATOM 717 C TYR A 44 0.598 8.505 3.351 1.00 0.31 C ATOM 718 O TYR A 44 1.287 9.521 3.331 1.00 0.37 O ATOM 719 CB TYR A 44 0.956 7.465 1.114 1.00 0.31 C ATOM 720 CG TYR A 44 1.590 6.183 1.590 1.00 0.52 C ATOM 721 CD1 TYR A 44 0.896 4.988 1.504 1.00 0.36 C ATOM 722 CD2 TYR A 44 2.863 6.171 2.140 1.00 1.24 C ATOM 723 CE1 TYR A 44 1.451 3.808 1.948 1.00 0.71 C ATOM 724 CE2 TYR A 44 3.427 4.994 2.593 1.00 1.69 C ATOM 725 CZ TYR A 44 2.718 3.814 2.494 1.00 1.41 C ATOM 726 OH TYR A 44 3.276 2.642 2.950 1.00 1.85 O ATOM 0 H TYR A 44 -0.345 9.593 0.761 1.00 0.22 H new ATOM 0 HA TYR A 44 -0.765 7.204 2.353 1.00 0.26 H new ATOM 0 HB2 TYR A 44 0.481 7.293 0.148 1.00 0.31 H new ATOM 0 HB3 TYR A 44 1.733 8.213 0.958 1.00 0.31 H new ATOM 0 HD1 TYR A 44 -0.098 4.981 1.081 1.00 0.36 H new ATOM 0 HD2 TYR A 44 3.420 7.093 2.215 1.00 1.24 H new ATOM 0 HE1 TYR A 44 0.898 2.884 1.869 1.00 0.71 H new ATOM 0 HE2 TYR A 44 4.418 4.997 3.023 1.00 1.69 H new ATOM 0 HH TYR A 44 4.172 2.822 3.303 1.00 1.85 H new ATOM 736 N THR A 45 0.378 7.804 4.446 1.00 0.32 N ATOM 737 CA THR A 45 1.031 8.134 5.691 1.00 0.39 C ATOM 738 C THR A 45 2.235 7.219 5.886 1.00 0.41 C ATOM 739 O THR A 45 2.088 6.042 6.220 1.00 0.44 O ATOM 740 CB THR A 45 0.060 7.996 6.878 1.00 0.47 C ATOM 741 OG1 THR A 45 -1.176 8.654 6.563 1.00 1.27 O ATOM 742 CG2 THR A 45 0.654 8.607 8.141 1.00 0.96 C ATOM 0 H THR A 45 -0.250 7.001 4.496 1.00 0.32 H new ATOM 0 HA THR A 45 1.362 9.172 5.650 1.00 0.39 H new ATOM 0 HB THR A 45 -0.118 6.936 7.058 1.00 0.47 H new ATOM 0 HG1 THR A 45 -1.795 8.565 7.317 1.00 1.27 H new ATOM 0 HG21 THR A 45 -0.051 8.497 8.965 1.00 0.96 H new ATOM 0 HG22 THR A 45 1.585 8.097 8.389 1.00 0.96 H new ATOM 0 HG23 THR A 45 0.854 9.665 7.974 1.00 0.96 H new ATOM 750 N PRO A 46 3.441 7.745 5.656 1.00 0.45 N ATOM 751 CA PRO A 46 4.666 6.971 5.754 1.00 0.51 C ATOM 752 C PRO A 46 5.071 6.750 7.199 1.00 0.52 C ATOM 753 O PRO A 46 4.957 7.655 8.031 1.00 0.57 O ATOM 754 CB PRO A 46 5.718 7.832 5.032 1.00 0.56 C ATOM 755 CG PRO A 46 4.995 9.034 4.514 1.00 0.58 C ATOM 756 CD PRO A 46 3.714 9.137 5.292 1.00 0.51 C ATOM 0 HA PRO A 46 4.554 5.978 5.318 1.00 0.51 H new ATOM 0 HB2 PRO A 46 6.517 8.123 5.714 1.00 0.56 H new ATOM 0 HB3 PRO A 46 6.182 7.276 4.217 1.00 0.56 H new ATOM 0 HG2 PRO A 46 5.598 9.933 4.641 1.00 0.58 H new ATOM 0 HG3 PRO A 46 4.793 8.934 3.448 1.00 0.58 H new ATOM 0 HD2 PRO A 46 3.825 9.771 6.172 1.00 0.51 H new ATOM 0 HD3 PRO A 46 2.910 9.563 4.692 1.00 0.51 H new ATOM 764 N PRO A 47 5.525 5.531 7.522 1.00 0.60 N ATOM 765 CA PRO A 47 6.078 5.227 8.837 1.00 0.68 C ATOM 766 C PRO A 47 7.174 6.216 9.201 1.00 0.62 C ATOM 767 O PRO A 47 8.011 6.567 8.365 1.00 0.56 O ATOM 768 CB PRO A 47 6.648 3.817 8.672 1.00 0.82 C ATOM 769 CG PRO A 47 5.862 3.218 7.557 1.00 0.86 C ATOM 770 CD PRO A 47 5.521 4.355 6.633 1.00 0.73 C ATOM 0 HA PRO A 47 5.338 5.292 9.635 1.00 0.68 H new ATOM 0 HB2 PRO A 47 7.712 3.845 8.436 1.00 0.82 H new ATOM 0 HB3 PRO A 47 6.540 3.237 9.588 1.00 0.82 H new ATOM 0 HG2 PRO A 47 6.441 2.454 7.038 1.00 0.86 H new ATOM 0 HG3 PRO A 47 4.959 2.735 7.931 1.00 0.86 H new ATOM 0 HD2 PRO A 47 6.253 4.455 5.832 1.00 0.73 H new ATOM 0 HD3 PRO A 47 4.549 4.211 6.161 1.00 0.73 H new ATOM 778 N GLN A 48 7.158 6.662 10.450 1.00 0.73 N ATOM 779 CA GLN A 48 8.074 7.694 10.927 1.00 0.79 C ATOM 780 C GLN A 48 9.535 7.279 10.776 1.00 0.67 C ATOM 781 O GLN A 48 10.431 8.118 10.837 1.00 0.73 O ATOM 782 CB GLN A 48 7.758 8.037 12.381 1.00 1.03 C ATOM 783 CG GLN A 48 7.649 6.822 13.282 1.00 0.91 C ATOM 784 CD GLN A 48 7.089 7.164 14.643 1.00 1.24 C ATOM 785 OE1 GLN A 48 6.312 8.108 14.787 1.00 1.91 O ATOM 786 NE2 GLN A 48 7.465 6.391 15.644 1.00 1.84 N ATOM 0 H GLN A 48 6.512 6.320 11.161 1.00 0.73 H new ATOM 0 HA GLN A 48 7.930 8.580 10.308 1.00 0.79 H new ATOM 0 HB2 GLN A 48 8.535 8.697 12.767 1.00 1.03 H new ATOM 0 HB3 GLN A 48 6.821 8.592 12.419 1.00 1.03 H new ATOM 0 HG2 GLN A 48 7.012 6.076 12.807 1.00 0.91 H new ATOM 0 HG3 GLN A 48 8.634 6.371 13.400 1.00 0.91 H new ATOM 0 HE21 GLN A 48 8.111 5.620 15.478 1.00 1.84 H new ATOM 0 HE22 GLN A 48 7.109 6.565 16.584 1.00 1.84 H new ATOM 795 N SER A 49 9.766 5.989 10.562 1.00 0.60 N ATOM 796 CA SER A 49 11.104 5.484 10.294 1.00 0.59 C ATOM 797 C SER A 49 11.657 6.104 9.004 1.00 0.62 C ATOM 798 O SER A 49 12.863 6.301 8.867 1.00 0.71 O ATOM 799 CB SER A 49 11.081 3.951 10.188 1.00 0.71 C ATOM 800 OG SER A 49 12.377 3.423 9.951 1.00 1.55 O ATOM 0 H SER A 49 9.040 5.273 10.569 1.00 0.60 H new ATOM 0 HA SER A 49 11.758 5.764 11.120 1.00 0.59 H new ATOM 0 HB2 SER A 49 10.678 3.528 11.108 1.00 0.71 H new ATOM 0 HB3 SER A 49 10.413 3.652 9.381 1.00 0.71 H new ATOM 0 HG SER A 49 12.438 2.523 10.333 1.00 1.55 H new ATOM 806 N PHE A 50 10.764 6.433 8.070 1.00 0.62 N ATOM 807 CA PHE A 50 11.167 7.026 6.794 1.00 0.66 C ATOM 808 C PHE A 50 11.302 8.540 6.913 1.00 0.67 C ATOM 809 O PHE A 50 11.806 9.199 6.003 1.00 0.79 O ATOM 810 CB PHE A 50 10.158 6.691 5.690 1.00 0.69 C ATOM 811 CG PHE A 50 10.093 5.233 5.345 1.00 0.71 C ATOM 812 CD1 PHE A 50 11.008 4.676 4.468 1.00 0.91 C ATOM 813 CD2 PHE A 50 9.117 4.421 5.894 1.00 0.80 C ATOM 814 CE1 PHE A 50 10.952 3.334 4.146 1.00 1.01 C ATOM 815 CE2 PHE A 50 9.056 3.077 5.576 1.00 0.89 C ATOM 816 CZ PHE A 50 9.975 2.533 4.702 1.00 0.93 C ATOM 0 H PHE A 50 9.758 6.299 8.173 1.00 0.62 H new ATOM 0 HA PHE A 50 12.136 6.602 6.531 1.00 0.66 H new ATOM 0 HB2 PHE A 50 9.169 7.024 6.003 1.00 0.69 H new ATOM 0 HB3 PHE A 50 10.415 7.255 4.793 1.00 0.69 H new ATOM 0 HD1 PHE A 50 11.775 5.298 4.030 1.00 0.91 H new ATOM 0 HD2 PHE A 50 8.395 4.841 6.578 1.00 0.80 H new ATOM 0 HE1 PHE A 50 11.672 2.912 3.460 1.00 1.01 H new ATOM 0 HE2 PHE A 50 8.289 2.453 6.011 1.00 0.89 H new ATOM 0 HZ PHE A 50 9.930 1.483 4.454 1.00 0.93 H new ATOM 826 N GLN A 51 10.831 9.075 8.042 1.00 0.62 N ATOM 827 CA GLN A 51 10.905 10.507 8.338 1.00 0.70 C ATOM 828 C GLN A 51 10.138 11.345 7.314 1.00 0.62 C ATOM 829 O GLN A 51 10.452 12.517 7.097 1.00 0.72 O ATOM 830 CB GLN A 51 12.366 10.966 8.407 1.00 0.93 C ATOM 831 CG GLN A 51 13.175 10.294 9.496 1.00 1.08 C ATOM 832 CD GLN A 51 12.865 10.813 10.892 1.00 1.45 C ATOM 833 OE1 GLN A 51 13.733 10.821 11.763 1.00 1.53 O ATOM 834 NE2 GLN A 51 11.636 11.247 11.125 1.00 2.20 N ATOM 0 H GLN A 51 10.387 8.526 8.778 1.00 0.62 H new ATOM 0 HA GLN A 51 10.434 10.661 9.309 1.00 0.70 H new ATOM 0 HB2 GLN A 51 12.842 10.774 7.445 1.00 0.93 H new ATOM 0 HB3 GLN A 51 12.390 12.044 8.565 1.00 0.93 H new ATOM 0 HG2 GLN A 51 12.988 9.221 9.466 1.00 1.08 H new ATOM 0 HG3 GLN A 51 14.236 10.438 9.291 1.00 1.08 H new ATOM 0 HE21 GLN A 51 10.939 11.227 10.381 1.00 2.20 H new ATOM 0 HE22 GLN A 51 11.387 11.601 12.048 1.00 2.20 H new ATOM 843 N SER A 52 9.122 10.755 6.707 1.00 0.51 N ATOM 844 CA SER A 52 8.348 11.444 5.689 1.00 0.50 C ATOM 845 C SER A 52 6.940 11.737 6.204 1.00 0.48 C ATOM 846 O SER A 52 6.486 11.130 7.178 1.00 0.54 O ATOM 847 CB SER A 52 8.294 10.599 4.412 1.00 0.53 C ATOM 848 OG SER A 52 7.762 11.338 3.324 1.00 1.18 O ATOM 0 H SER A 52 8.814 9.802 6.901 1.00 0.51 H new ATOM 0 HA SER A 52 8.831 12.393 5.456 1.00 0.50 H new ATOM 0 HB2 SER A 52 9.296 10.251 4.162 1.00 0.53 H new ATOM 0 HB3 SER A 52 7.683 9.713 4.586 1.00 0.53 H new ATOM 0 HG SER A 52 7.742 10.773 2.524 1.00 1.18 H new ATOM 854 N ALA A 53 6.264 12.669 5.554 1.00 0.54 N ATOM 855 CA ALA A 53 4.937 13.099 5.971 1.00 0.60 C ATOM 856 C ALA A 53 3.897 12.676 4.942 1.00 0.51 C ATOM 857 O ALA A 53 4.247 12.399 3.795 1.00 0.50 O ATOM 858 CB ALA A 53 4.917 14.608 6.163 1.00 0.80 C ATOM 0 H ALA A 53 6.616 13.148 4.725 1.00 0.54 H new ATOM 0 HA ALA A 53 4.692 12.623 6.921 1.00 0.60 H new ATOM 0 HB1 ALA A 53 3.921 14.922 6.475 1.00 0.80 H new ATOM 0 HB2 ALA A 53 5.642 14.887 6.928 1.00 0.80 H new ATOM 0 HB3 ALA A 53 5.174 15.098 5.224 1.00 0.80 H new ATOM 864 N PRO A 54 2.606 12.613 5.335 1.00 0.50 N ATOM 865 CA PRO A 54 1.523 12.209 4.433 1.00 0.43 C ATOM 866 C PRO A 54 1.569 12.946 3.095 1.00 0.38 C ATOM 867 O PRO A 54 1.705 14.171 3.044 1.00 0.41 O ATOM 868 CB PRO A 54 0.238 12.560 5.200 1.00 0.47 C ATOM 869 CG PRO A 54 0.667 13.255 6.453 1.00 0.63 C ATOM 870 CD PRO A 54 2.105 12.893 6.687 1.00 0.57 C ATOM 0 HA PRO A 54 1.595 11.152 4.177 1.00 0.43 H new ATOM 0 HB2 PRO A 54 -0.408 13.203 4.602 1.00 0.47 H new ATOM 0 HB3 PRO A 54 -0.333 11.661 5.431 1.00 0.47 H new ATOM 0 HG2 PRO A 54 0.553 14.334 6.353 1.00 0.63 H new ATOM 0 HG3 PRO A 54 0.050 12.945 7.296 1.00 0.63 H new ATOM 0 HD2 PRO A 54 2.654 13.708 7.159 1.00 0.57 H new ATOM 0 HD3 PRO A 54 2.201 12.025 7.339 1.00 0.57 H new ATOM 878 N ARG A 55 1.460 12.183 2.018 1.00 0.37 N ATOM 879 CA ARG A 55 1.615 12.713 0.672 1.00 0.40 C ATOM 880 C ARG A 55 0.651 12.012 -0.278 1.00 0.31 C ATOM 881 O ARG A 55 0.490 10.795 -0.212 1.00 0.31 O ATOM 882 CB ARG A 55 3.062 12.506 0.217 1.00 0.60 C ATOM 883 CG ARG A 55 3.380 13.059 -1.161 1.00 1.07 C ATOM 884 CD ARG A 55 4.832 12.794 -1.512 1.00 1.04 C ATOM 885 NE ARG A 55 5.204 13.317 -2.824 1.00 1.50 N ATOM 886 CZ ARG A 55 6.427 13.199 -3.345 1.00 1.68 C ATOM 887 NH1 ARG A 55 7.362 12.514 -2.695 1.00 1.47 N ATOM 888 NH2 ARG A 55 6.705 13.738 -4.526 1.00 2.51 N ATOM 0 H ARG A 55 1.262 11.183 2.052 1.00 0.37 H new ATOM 0 HA ARG A 55 1.386 13.779 0.667 1.00 0.40 H new ATOM 0 HB2 ARG A 55 3.727 12.973 0.943 1.00 0.60 H new ATOM 0 HB3 ARG A 55 3.282 11.438 0.224 1.00 0.60 H new ATOM 0 HG2 ARG A 55 2.729 12.599 -1.904 1.00 1.07 H new ATOM 0 HG3 ARG A 55 3.183 14.131 -1.185 1.00 1.07 H new ATOM 0 HD2 ARG A 55 5.472 13.243 -0.753 1.00 1.04 H new ATOM 0 HD3 ARG A 55 5.016 11.720 -1.489 1.00 1.04 H new ATOM 0 HE ARG A 55 4.491 13.798 -3.372 1.00 1.50 H new ATOM 0 HH11 ARG A 55 7.145 12.079 -1.798 1.00 1.47 H new ATOM 0 HH12 ARG A 55 8.297 12.423 -3.093 1.00 1.47 H new ATOM 0 HH21 ARG A 55 5.983 14.244 -5.038 1.00 2.51 H new ATOM 0 HH22 ARG A 55 7.641 13.646 -4.921 1.00 2.51 H new ATOM 902 N VAL A 56 0.011 12.778 -1.151 1.00 0.35 N ATOM 903 CA VAL A 56 -0.987 12.224 -2.060 1.00 0.35 C ATOM 904 C VAL A 56 -0.330 11.599 -3.295 1.00 0.38 C ATOM 905 O VAL A 56 0.589 12.173 -3.886 1.00 0.53 O ATOM 906 CB VAL A 56 -2.023 13.294 -2.488 1.00 0.49 C ATOM 907 CG1 VAL A 56 -1.358 14.451 -3.222 1.00 1.13 C ATOM 908 CG2 VAL A 56 -3.121 12.677 -3.341 1.00 1.25 C ATOM 0 H VAL A 56 0.163 13.782 -1.250 1.00 0.35 H new ATOM 0 HA VAL A 56 -1.513 11.440 -1.516 1.00 0.35 H new ATOM 0 HB VAL A 56 -2.477 13.692 -1.581 1.00 0.49 H new ATOM 0 HG11 VAL A 56 -2.113 15.183 -3.508 1.00 1.13 H new ATOM 0 HG12 VAL A 56 -0.624 14.923 -2.568 1.00 1.13 H new ATOM 0 HG13 VAL A 56 -0.860 14.076 -4.116 1.00 1.13 H new ATOM 0 HG21 VAL A 56 -3.835 13.449 -3.628 1.00 1.25 H new ATOM 0 HG22 VAL A 56 -2.682 12.237 -4.237 1.00 1.25 H new ATOM 0 HG23 VAL A 56 -3.633 11.903 -2.770 1.00 1.25 H new ATOM 918 N TYR A 57 -0.792 10.408 -3.664 1.00 0.30 N ATOM 919 CA TYR A 57 -0.272 9.705 -4.827 1.00 0.33 C ATOM 920 C TYR A 57 -1.405 9.249 -5.722 1.00 0.29 C ATOM 921 O TYR A 57 -2.449 8.808 -5.239 1.00 0.25 O ATOM 922 CB TYR A 57 0.552 8.482 -4.415 1.00 0.36 C ATOM 923 CG TYR A 57 1.861 8.820 -3.751 1.00 0.47 C ATOM 924 CD1 TYR A 57 2.947 9.231 -4.508 1.00 0.70 C ATOM 925 CD2 TYR A 57 2.014 8.722 -2.376 1.00 0.46 C ATOM 926 CE1 TYR A 57 4.154 9.536 -3.912 1.00 0.82 C ATOM 927 CE2 TYR A 57 3.220 9.028 -1.770 1.00 0.56 C ATOM 928 CZ TYR A 57 4.287 9.433 -2.545 1.00 0.70 C ATOM 929 OH TYR A 57 5.495 9.731 -1.952 1.00 0.83 O ATOM 0 H TYR A 57 -1.531 9.909 -3.169 1.00 0.30 H new ATOM 0 HA TYR A 57 0.369 10.402 -5.366 1.00 0.33 H new ATOM 0 HB2 TYR A 57 -0.041 7.870 -3.735 1.00 0.36 H new ATOM 0 HB3 TYR A 57 0.751 7.876 -5.299 1.00 0.36 H new ATOM 0 HD1 TYR A 57 2.847 9.314 -5.580 1.00 0.70 H new ATOM 0 HD2 TYR A 57 1.180 8.402 -1.769 1.00 0.46 H new ATOM 0 HE1 TYR A 57 4.991 9.854 -4.515 1.00 0.82 H new ATOM 0 HE2 TYR A 57 3.325 8.950 -0.698 1.00 0.56 H new ATOM 0 HH TYR A 57 5.377 9.792 -0.981 1.00 0.83 H new ATOM 939 N ARG A 58 -1.197 9.364 -7.020 1.00 0.36 N ATOM 940 CA ARG A 58 -2.137 8.833 -7.989 1.00 0.34 C ATOM 941 C ARG A 58 -1.874 7.345 -8.184 1.00 0.32 C ATOM 942 O ARG A 58 -0.852 6.946 -8.746 1.00 0.39 O ATOM 943 CB ARG A 58 -2.022 9.582 -9.319 1.00 0.41 C ATOM 944 CG ARG A 58 -2.942 9.053 -10.413 1.00 0.47 C ATOM 945 CD ARG A 58 -4.393 9.443 -10.174 1.00 1.05 C ATOM 946 NE ARG A 58 -4.589 10.892 -10.232 1.00 1.91 N ATOM 947 CZ ARG A 58 -5.675 11.483 -10.734 1.00 2.95 C ATOM 948 NH1 ARG A 58 -6.685 10.755 -11.196 1.00 3.38 N ATOM 949 NH2 ARG A 58 -5.754 12.805 -10.762 1.00 3.81 N ATOM 0 H ARG A 58 -0.382 9.822 -7.429 1.00 0.36 H new ATOM 0 HA ARG A 58 -3.152 8.970 -7.616 1.00 0.34 H new ATOM 0 HB2 ARG A 58 -2.244 10.636 -9.151 1.00 0.41 H new ATOM 0 HB3 ARG A 58 -0.991 9.525 -9.668 1.00 0.41 H new ATOM 0 HG2 ARG A 58 -2.617 9.440 -11.379 1.00 0.47 H new ATOM 0 HG3 ARG A 58 -2.861 7.967 -10.461 1.00 0.47 H new ATOM 0 HD2 ARG A 58 -5.025 8.962 -10.920 1.00 1.05 H new ATOM 0 HD3 ARG A 58 -4.712 9.073 -9.200 1.00 1.05 H new ATOM 0 HE ARG A 58 -3.848 11.489 -9.865 1.00 1.91 H new ATOM 0 HH11 ARG A 58 -6.634 9.737 -11.169 1.00 3.38 H new ATOM 0 HH12 ARG A 58 -7.512 11.214 -11.578 1.00 3.38 H new ATOM 0 HH21 ARG A 58 -4.985 13.370 -10.400 1.00 3.81 H new ATOM 0 HH22 ARG A 58 -6.583 13.258 -11.145 1.00 3.81 H new ATOM 963 N VAL A 59 -2.791 6.537 -7.687 1.00 0.29 N ATOM 964 CA VAL A 59 -2.671 5.093 -7.756 1.00 0.27 C ATOM 965 C VAL A 59 -3.090 4.601 -9.130 1.00 0.27 C ATOM 966 O VAL A 59 -4.184 4.922 -9.603 1.00 0.29 O ATOM 967 CB VAL A 59 -3.533 4.418 -6.674 1.00 0.23 C ATOM 968 CG1 VAL A 59 -3.315 2.916 -6.663 1.00 0.25 C ATOM 969 CG2 VAL A 59 -3.229 5.013 -5.310 1.00 0.24 C ATOM 0 H VAL A 59 -3.640 6.863 -7.224 1.00 0.29 H new ATOM 0 HA VAL A 59 -1.628 4.829 -7.581 1.00 0.27 H new ATOM 0 HB VAL A 59 -4.581 4.603 -6.909 1.00 0.23 H new ATOM 0 HG11 VAL A 59 -3.936 2.464 -5.890 1.00 0.25 H new ATOM 0 HG12 VAL A 59 -3.586 2.502 -7.634 1.00 0.25 H new ATOM 0 HG13 VAL A 59 -2.266 2.702 -6.457 1.00 0.25 H new ATOM 0 HG21 VAL A 59 -3.846 4.526 -4.555 1.00 0.24 H new ATOM 0 HG22 VAL A 59 -2.176 4.860 -5.073 1.00 0.24 H new ATOM 0 HG23 VAL A 59 -3.446 6.081 -5.322 1.00 0.24 H new ATOM 979 N ASN A 60 -2.203 3.832 -9.762 1.00 0.28 N ATOM 980 CA ASN A 60 -2.422 3.337 -11.116 1.00 0.32 C ATOM 981 C ASN A 60 -3.188 2.021 -11.089 1.00 0.35 C ATOM 982 O ASN A 60 -3.823 1.638 -12.072 1.00 0.46 O ATOM 983 CB ASN A 60 -1.080 3.135 -11.831 1.00 0.39 C ATOM 984 CG ASN A 60 -0.283 4.420 -11.970 1.00 1.24 C ATOM 985 OD1 ASN A 60 -0.844 5.503 -12.123 1.00 1.61 O ATOM 986 ND2 ASN A 60 1.037 4.308 -11.913 1.00 2.10 N ATOM 0 H ASN A 60 -1.318 3.537 -9.350 1.00 0.28 H new ATOM 0 HA ASN A 60 -3.011 4.077 -11.658 1.00 0.32 H new ATOM 0 HB2 ASN A 60 -0.488 2.404 -11.280 1.00 0.39 H new ATOM 0 HB3 ASN A 60 -1.261 2.717 -12.821 1.00 0.39 H new ATOM 0 HD21 ASN A 60 1.623 5.138 -11.997 1.00 2.10 H new ATOM 0 HD22 ASN A 60 1.466 3.392 -11.785 1.00 2.10 H new ATOM 993 N GLY A 61 -3.108 1.322 -9.966 1.00 0.29 N ATOM 994 CA GLY A 61 -3.846 0.087 -9.810 1.00 0.35 C ATOM 995 C GLY A 61 -3.336 -0.739 -8.652 1.00 0.30 C ATOM 996 O GLY A 61 -3.012 -0.197 -7.596 1.00 0.24 O ATOM 0 H GLY A 61 -2.544 1.589 -9.159 1.00 0.29 H new ATOM 0 HA2 GLY A 61 -4.901 0.313 -9.656 1.00 0.35 H new ATOM 0 HA3 GLY A 61 -3.775 -0.495 -10.729 1.00 0.35 H new ATOM 1000 N LEU A 62 -3.235 -2.043 -8.851 1.00 0.40 N ATOM 1001 CA LEU A 62 -2.895 -2.949 -7.766 1.00 0.37 C ATOM 1002 C LEU A 62 -1.938 -4.034 -8.223 1.00 0.40 C ATOM 1003 O LEU A 62 -1.890 -4.387 -9.402 1.00 0.46 O ATOM 1004 CB LEU A 62 -4.169 -3.574 -7.198 1.00 0.36 C ATOM 1005 CG LEU A 62 -5.086 -2.590 -6.481 1.00 0.36 C ATOM 1006 CD1 LEU A 62 -6.399 -3.249 -6.124 1.00 0.41 C ATOM 1007 CD2 LEU A 62 -4.403 -2.053 -5.237 1.00 0.42 C ATOM 0 H LEU A 62 -3.383 -2.497 -9.752 1.00 0.40 H new ATOM 0 HA LEU A 62 -2.393 -2.373 -6.989 1.00 0.37 H new ATOM 0 HB2 LEU A 62 -4.723 -4.042 -8.011 1.00 0.36 H new ATOM 0 HB3 LEU A 62 -3.892 -4.367 -6.503 1.00 0.36 H new ATOM 0 HG LEU A 62 -5.296 -1.757 -7.152 1.00 0.36 H new ATOM 0 HD11 LEU A 62 -7.040 -2.530 -5.613 1.00 0.41 H new ATOM 0 HD12 LEU A 62 -6.892 -3.593 -7.033 1.00 0.41 H new ATOM 0 HD13 LEU A 62 -6.213 -4.100 -5.468 1.00 0.41 H new ATOM 0 HD21 LEU A 62 -5.066 -1.351 -4.732 1.00 0.42 H new ATOM 0 HD22 LEU A 62 -4.169 -2.879 -4.565 1.00 0.42 H new ATOM 0 HD23 LEU A 62 -3.482 -1.543 -5.519 1.00 0.42 H new ATOM 1019 N SER A 63 -1.169 -4.540 -7.273 1.00 0.39 N ATOM 1020 CA SER A 63 -0.223 -5.608 -7.533 1.00 0.45 C ATOM 1021 C SER A 63 -0.936 -6.953 -7.543 1.00 0.43 C ATOM 1022 O SER A 63 -1.853 -7.190 -6.757 1.00 0.51 O ATOM 1023 CB SER A 63 0.869 -5.604 -6.462 1.00 0.53 C ATOM 1024 OG SER A 63 1.758 -6.698 -6.621 1.00 1.45 O ATOM 0 H SER A 63 -1.184 -4.222 -6.304 1.00 0.39 H new ATOM 0 HA SER A 63 0.232 -5.446 -8.510 1.00 0.45 H new ATOM 0 HB2 SER A 63 1.428 -4.669 -6.514 1.00 0.53 H new ATOM 0 HB3 SER A 63 0.411 -5.647 -5.474 1.00 0.53 H new ATOM 0 HG SER A 63 1.758 -7.240 -5.805 1.00 1.45 H new ATOM 1030 N ARG A 64 -0.502 -7.825 -8.449 1.00 0.51 N ATOM 1031 CA ARG A 64 -1.062 -9.164 -8.570 1.00 0.56 C ATOM 1032 C ARG A 64 -0.662 -10.021 -7.373 1.00 0.47 C ATOM 1033 O ARG A 64 -1.269 -11.058 -7.102 1.00 0.54 O ATOM 1034 CB ARG A 64 -0.563 -9.817 -9.862 1.00 0.75 C ATOM 1035 CG ARG A 64 -1.438 -10.955 -10.360 1.00 1.20 C ATOM 1036 CD ARG A 64 -2.818 -10.448 -10.745 1.00 1.80 C ATOM 1037 NE ARG A 64 -2.738 -9.270 -11.605 1.00 2.42 N ATOM 1038 CZ ARG A 64 -3.715 -8.377 -11.735 1.00 3.15 C ATOM 1039 NH1 ARG A 64 -4.908 -8.604 -11.204 1.00 3.47 N ATOM 1040 NH2 ARG A 64 -3.507 -7.274 -12.439 1.00 3.98 N ATOM 0 H ARG A 64 0.243 -7.623 -9.115 1.00 0.51 H new ATOM 0 HA ARG A 64 -2.149 -9.087 -8.597 1.00 0.56 H new ATOM 0 HB2 ARG A 64 -0.498 -9.056 -10.640 1.00 0.75 H new ATOM 0 HB3 ARG A 64 0.447 -10.194 -9.700 1.00 0.75 H new ATOM 0 HG2 ARG A 64 -0.968 -11.431 -11.220 1.00 1.20 H new ATOM 0 HG3 ARG A 64 -1.529 -11.716 -9.585 1.00 1.20 H new ATOM 0 HD2 ARG A 64 -3.366 -11.238 -11.259 1.00 1.80 H new ATOM 0 HD3 ARG A 64 -3.381 -10.204 -9.844 1.00 1.80 H new ATOM 0 HE ARG A 64 -1.881 -9.123 -12.138 1.00 2.42 H new ATOM 0 HH11 ARG A 64 -5.082 -9.468 -10.691 1.00 3.47 H new ATOM 0 HH12 ARG A 64 -5.652 -7.914 -11.308 1.00 3.47 H new ATOM 0 HH21 ARG A 64 -2.601 -7.113 -12.878 1.00 3.98 H new ATOM 0 HH22 ARG A 64 -4.253 -6.586 -12.542 1.00 3.98 H new ATOM 1054 N ALA A 65 0.371 -9.584 -6.668 1.00 0.42 N ATOM 1055 CA ALA A 65 0.874 -10.306 -5.516 1.00 0.44 C ATOM 1056 C ALA A 65 0.919 -9.405 -4.292 1.00 0.42 C ATOM 1057 O ALA A 65 1.294 -8.234 -4.388 1.00 0.43 O ATOM 1058 CB ALA A 65 2.254 -10.864 -5.810 1.00 0.59 C ATOM 0 H ALA A 65 0.879 -8.725 -6.879 1.00 0.42 H new ATOM 0 HA ALA A 65 0.196 -11.133 -5.306 1.00 0.44 H new ATOM 0 HB1 ALA A 65 2.622 -11.404 -4.938 1.00 0.59 H new ATOM 0 HB2 ALA A 65 2.198 -11.543 -6.660 1.00 0.59 H new ATOM 0 HB3 ALA A 65 2.935 -10.046 -6.044 1.00 0.59 H new ATOM 1064 N PRO A 66 0.522 -9.943 -3.128 1.00 0.41 N ATOM 1065 CA PRO A 66 0.527 -9.207 -1.861 1.00 0.42 C ATOM 1066 C PRO A 66 1.931 -8.827 -1.401 1.00 0.43 C ATOM 1067 O PRO A 66 2.921 -9.313 -1.952 1.00 0.45 O ATOM 1068 CB PRO A 66 -0.097 -10.187 -0.860 1.00 0.46 C ATOM 1069 CG PRO A 66 -0.777 -11.219 -1.689 1.00 0.62 C ATOM 1070 CD PRO A 66 0.010 -11.311 -2.961 1.00 0.46 C ATOM 0 HA PRO A 66 -0.012 -8.264 -1.956 1.00 0.42 H new ATOM 0 HB2 PRO A 66 0.665 -10.635 -0.222 1.00 0.46 H new ATOM 0 HB3 PRO A 66 -0.805 -9.681 -0.204 1.00 0.46 H new ATOM 0 HG2 PRO A 66 -0.801 -12.180 -1.174 1.00 0.62 H new ATOM 0 HG3 PRO A 66 -1.811 -10.939 -1.889 1.00 0.62 H new ATOM 0 HD2 PRO A 66 0.818 -12.039 -2.885 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -0.614 -11.615 -3.802 1.00 0.46 H new ATOM 1078 N ALA A 67 2.009 -7.983 -0.379 1.00 0.54 N ATOM 1079 CA ALA A 67 3.282 -7.458 0.112 1.00 0.63 C ATOM 1080 C ALA A 67 4.313 -8.558 0.370 1.00 0.52 C ATOM 1081 O ALA A 67 5.459 -8.462 -0.073 1.00 0.57 O ATOM 1082 CB ALA A 67 3.051 -6.655 1.382 1.00 0.88 C ATOM 0 H ALA A 67 1.195 -7.643 0.133 1.00 0.54 H new ATOM 0 HA ALA A 67 3.689 -6.815 -0.669 1.00 0.63 H new ATOM 0 HB1 ALA A 67 4.002 -6.266 1.744 1.00 0.88 H new ATOM 0 HB2 ALA A 67 2.376 -5.825 1.170 1.00 0.88 H new ATOM 0 HB3 ALA A 67 2.608 -7.297 2.143 1.00 0.88 H new ATOM 1088 N SER A 68 3.904 -9.608 1.072 1.00 0.49 N ATOM 1089 CA SER A 68 4.823 -10.676 1.446 1.00 0.52 C ATOM 1090 C SER A 68 5.151 -11.568 0.249 1.00 0.47 C ATOM 1091 O SER A 68 6.161 -12.268 0.241 1.00 0.58 O ATOM 1092 CB SER A 68 4.227 -11.510 2.586 1.00 0.64 C ATOM 1093 OG SER A 68 5.165 -12.445 3.092 1.00 1.73 O ATOM 0 H SER A 68 2.945 -9.743 1.393 1.00 0.49 H new ATOM 0 HA SER A 68 5.752 -10.220 1.788 1.00 0.52 H new ATOM 0 HB2 SER A 68 3.901 -10.849 3.389 1.00 0.64 H new ATOM 0 HB3 SER A 68 3.343 -12.038 2.228 1.00 0.64 H new ATOM 0 HG SER A 68 4.755 -12.960 3.818 1.00 1.73 H new ATOM 1099 N SER A 69 4.312 -11.523 -0.774 1.00 0.43 N ATOM 1100 CA SER A 69 4.499 -12.373 -1.938 1.00 0.52 C ATOM 1101 C SER A 69 5.356 -11.680 -2.995 1.00 0.56 C ATOM 1102 O SER A 69 5.757 -12.295 -3.982 1.00 0.88 O ATOM 1103 CB SER A 69 3.143 -12.763 -2.515 1.00 0.67 C ATOM 1104 OG SER A 69 2.328 -13.357 -1.516 1.00 1.30 O ATOM 0 H SER A 69 3.498 -10.910 -0.822 1.00 0.43 H new ATOM 0 HA SER A 69 5.026 -13.275 -1.627 1.00 0.52 H new ATOM 0 HB2 SER A 69 2.647 -11.881 -2.920 1.00 0.67 H new ATOM 0 HB3 SER A 69 3.280 -13.460 -3.342 1.00 0.67 H new ATOM 0 HG SER A 69 1.570 -13.811 -1.940 1.00 1.30 H new ATOM 1110 N GLU A 70 5.630 -10.401 -2.785 1.00 0.52 N ATOM 1111 CA GLU A 70 6.495 -9.651 -3.680 1.00 0.53 C ATOM 1112 C GLU A 70 7.883 -9.520 -3.062 1.00 0.47 C ATOM 1113 O GLU A 70 8.016 -9.189 -1.883 1.00 0.45 O ATOM 1114 CB GLU A 70 5.900 -8.271 -3.968 1.00 0.64 C ATOM 1115 CG GLU A 70 6.692 -7.466 -4.984 1.00 1.19 C ATOM 1116 CD GLU A 70 6.891 -8.213 -6.287 1.00 1.34 C ATOM 1117 OE1 GLU A 70 6.032 -8.099 -7.185 1.00 1.91 O ATOM 1118 OE2 GLU A 70 7.909 -8.928 -6.416 1.00 1.74 O ATOM 0 H GLU A 70 5.264 -9.861 -2.001 1.00 0.52 H new ATOM 0 HA GLU A 70 6.579 -10.187 -4.626 1.00 0.53 H new ATOM 0 HB2 GLU A 70 4.879 -8.393 -4.330 1.00 0.64 H new ATOM 0 HB3 GLU A 70 5.842 -7.708 -3.036 1.00 0.64 H new ATOM 0 HG2 GLU A 70 6.175 -6.527 -5.182 1.00 1.19 H new ATOM 0 HG3 GLU A 70 7.664 -7.211 -4.563 1.00 1.19 H new ATOM 1125 N THR A 71 8.908 -9.780 -3.858 1.00 0.52 N ATOM 1126 CA THR A 71 10.274 -9.788 -3.363 1.00 0.53 C ATOM 1127 C THR A 71 11.163 -8.883 -4.202 1.00 0.61 C ATOM 1128 O THR A 71 11.101 -8.907 -5.432 1.00 0.70 O ATOM 1129 CB THR A 71 10.864 -11.214 -3.372 1.00 0.54 C ATOM 1130 OG1 THR A 71 10.710 -11.799 -4.672 1.00 1.06 O ATOM 1131 CG2 THR A 71 10.187 -12.096 -2.335 1.00 0.91 C ATOM 0 H THR A 71 8.819 -9.989 -4.852 1.00 0.52 H new ATOM 0 HA THR A 71 10.244 -9.419 -2.338 1.00 0.53 H new ATOM 0 HB THR A 71 11.923 -11.141 -3.124 1.00 0.54 H new ATOM 0 HG1 THR A 71 11.088 -12.703 -4.671 1.00 1.06 H new ATOM 0 HG21 THR A 71 10.624 -13.094 -2.365 1.00 0.91 H new ATOM 0 HG22 THR A 71 10.330 -11.667 -1.343 1.00 0.91 H new ATOM 0 HG23 THR A 71 9.121 -12.160 -2.552 1.00 0.91 H new ATOM 1139 N PHE A 72 11.990 -8.097 -3.534 1.00 0.63 N ATOM 1140 CA PHE A 72 12.951 -7.245 -4.210 1.00 0.72 C ATOM 1141 C PHE A 72 14.331 -7.513 -3.634 1.00 0.70 C ATOM 1142 O PHE A 72 14.459 -7.967 -2.495 1.00 0.66 O ATOM 1143 CB PHE A 72 12.574 -5.758 -4.092 1.00 0.84 C ATOM 1144 CG PHE A 72 12.681 -5.181 -2.707 1.00 0.56 C ATOM 1145 CD1 PHE A 72 11.654 -5.341 -1.791 1.00 0.85 C ATOM 1146 CD2 PHE A 72 13.805 -4.462 -2.332 1.00 0.55 C ATOM 1147 CE1 PHE A 72 11.748 -4.796 -0.526 1.00 1.33 C ATOM 1148 CE2 PHE A 72 13.904 -3.917 -1.068 1.00 0.79 C ATOM 1149 CZ PHE A 72 12.875 -4.084 -0.164 1.00 1.27 C ATOM 0 H PHE A 72 12.014 -8.032 -2.516 1.00 0.63 H new ATOM 0 HA PHE A 72 12.950 -7.479 -5.274 1.00 0.72 H new ATOM 0 HB2 PHE A 72 13.216 -5.182 -4.759 1.00 0.84 H new ATOM 0 HB3 PHE A 72 11.551 -5.629 -4.444 1.00 0.84 H new ATOM 0 HD1 PHE A 72 10.771 -5.898 -2.069 1.00 0.85 H new ATOM 0 HD2 PHE A 72 14.612 -4.327 -3.037 1.00 0.55 H new ATOM 0 HE1 PHE A 72 10.941 -4.926 0.180 1.00 1.33 H new ATOM 0 HE2 PHE A 72 14.786 -3.360 -0.787 1.00 0.79 H new ATOM 0 HZ PHE A 72 12.951 -3.658 0.826 1.00 1.27 H new ATOM 1159 N GLU A 73 15.358 -7.251 -4.413 1.00 0.81 N ATOM 1160 CA GLU A 73 16.696 -7.661 -4.039 1.00 0.85 C ATOM 1161 C GLU A 73 17.597 -6.462 -3.779 1.00 0.87 C ATOM 1162 O GLU A 73 17.977 -5.741 -4.702 1.00 0.95 O ATOM 1163 CB GLU A 73 17.274 -8.531 -5.143 1.00 1.02 C ATOM 1164 CG GLU A 73 18.442 -9.385 -4.708 1.00 1.12 C ATOM 1165 CD GLU A 73 18.965 -10.220 -5.845 1.00 1.45 C ATOM 1166 OE1 GLU A 73 18.299 -11.211 -6.208 1.00 2.00 O ATOM 1167 OE2 GLU A 73 20.023 -9.871 -6.400 1.00 1.58 O ATOM 0 H GLU A 73 15.294 -6.759 -5.304 1.00 0.81 H new ATOM 0 HA GLU A 73 16.641 -8.229 -3.111 1.00 0.85 H new ATOM 0 HB2 GLU A 73 16.488 -9.179 -5.529 1.00 1.02 H new ATOM 0 HB3 GLU A 73 17.592 -7.891 -5.966 1.00 1.02 H new ATOM 0 HG2 GLU A 73 19.239 -8.747 -4.327 1.00 1.12 H new ATOM 0 HG3 GLU A 73 18.134 -10.035 -3.889 1.00 1.12 H new ATOM 1174 N HIS A 74 17.949 -6.267 -2.518 1.00 0.85 N ATOM 1175 CA HIS A 74 18.813 -5.164 -2.126 1.00 0.94 C ATOM 1176 C HIS A 74 20.239 -5.659 -1.922 1.00 1.04 C ATOM 1177 O HIS A 74 20.532 -6.350 -0.942 1.00 1.03 O ATOM 1178 CB HIS A 74 18.293 -4.499 -0.845 1.00 0.95 C ATOM 1179 CG HIS A 74 19.122 -3.332 -0.389 1.00 1.21 C ATOM 1180 ND1 HIS A 74 19.655 -3.279 0.876 1.00 1.83 N ATOM 1181 CD2 HIS A 74 19.471 -2.211 -1.062 1.00 1.63 C ATOM 1182 CE1 HIS A 74 20.313 -2.133 0.944 1.00 1.89 C ATOM 1183 NE2 HIS A 74 20.229 -1.450 -0.207 1.00 1.71 N ATOM 0 H HIS A 74 17.648 -6.861 -1.745 1.00 0.85 H new ATOM 0 HA HIS A 74 18.809 -4.422 -2.925 1.00 0.94 H new ATOM 0 HB2 HIS A 74 17.269 -4.163 -1.011 1.00 0.95 H new ATOM 0 HB3 HIS A 74 18.259 -5.242 -0.049 1.00 0.95 H new ATOM 0 HD2 HIS A 74 19.204 -1.962 -2.078 1.00 1.63 H new ATOM 0 HE1 HIS A 74 20.850 -1.791 1.816 1.00 1.89 H new ATOM 0 HE2 HIS A 74 20.647 -0.542 -0.408 1.00 1.71 H new ATOM 1191 N ASP A 75 21.112 -5.311 -2.866 1.00 1.23 N ATOM 1192 CA ASP A 75 22.532 -5.660 -2.794 1.00 1.40 C ATOM 1193 C ASP A 75 22.742 -7.163 -2.627 1.00 1.35 C ATOM 1194 O ASP A 75 23.523 -7.605 -1.781 1.00 1.42 O ATOM 1195 CB ASP A 75 23.221 -4.896 -1.659 1.00 1.50 C ATOM 1196 CG ASP A 75 23.793 -3.569 -2.113 1.00 1.87 C ATOM 1197 OD1 ASP A 75 23.012 -2.631 -2.380 1.00 2.37 O ATOM 1198 OD2 ASP A 75 25.034 -3.458 -2.206 1.00 2.24 O ATOM 0 H ASP A 75 20.857 -4.781 -3.700 1.00 1.23 H new ATOM 0 HA ASP A 75 22.985 -5.367 -3.742 1.00 1.40 H new ATOM 0 HB2 ASP A 75 22.505 -4.723 -0.856 1.00 1.50 H new ATOM 0 HB3 ASP A 75 24.021 -5.510 -1.246 1.00 1.50 H new ATOM 1203 N GLY A 76 22.038 -7.943 -3.434 1.00 1.31 N ATOM 1204 CA GLY A 76 22.214 -9.384 -3.422 1.00 1.35 C ATOM 1205 C GLY A 76 21.281 -10.096 -2.463 1.00 1.18 C ATOM 1206 O GLY A 76 21.076 -11.303 -2.579 1.00 1.26 O ATOM 0 H GLY A 76 21.344 -7.603 -4.100 1.00 1.31 H new ATOM 0 HA2 GLY A 76 22.053 -9.771 -4.428 1.00 1.35 H new ATOM 0 HA3 GLY A 76 23.245 -9.615 -3.153 1.00 1.35 H new ATOM 1210 N LYS A 77 20.708 -9.364 -1.519 1.00 1.01 N ATOM 1211 CA LYS A 77 19.828 -9.971 -0.528 1.00 0.88 C ATOM 1212 C LYS A 77 18.370 -9.796 -0.934 1.00 0.78 C ATOM 1213 O LYS A 77 17.904 -8.678 -1.149 1.00 0.79 O ATOM 1214 CB LYS A 77 20.059 -9.350 0.854 1.00 0.93 C ATOM 1215 CG LYS A 77 21.507 -9.398 1.319 1.00 1.19 C ATOM 1216 CD LYS A 77 22.030 -10.824 1.426 1.00 1.33 C ATOM 1217 CE LYS A 77 23.473 -10.841 1.899 1.00 2.02 C ATOM 1218 NZ LYS A 77 24.029 -12.218 1.978 1.00 2.54 N ATOM 0 H LYS A 77 20.834 -8.357 -1.417 1.00 1.01 H new ATOM 0 HA LYS A 77 20.058 -11.035 -0.477 1.00 0.88 H new ATOM 0 HB2 LYS A 77 19.729 -8.311 0.834 1.00 0.93 H new ATOM 0 HB3 LYS A 77 19.436 -9.869 1.583 1.00 0.93 H new ATOM 0 HG2 LYS A 77 22.129 -8.836 0.623 1.00 1.19 H new ATOM 0 HG3 LYS A 77 21.592 -8.908 2.289 1.00 1.19 H new ATOM 0 HD2 LYS A 77 21.410 -11.391 2.120 1.00 1.33 H new ATOM 0 HD3 LYS A 77 21.956 -11.316 0.456 1.00 1.33 H new ATOM 0 HE2 LYS A 77 24.082 -10.245 1.219 1.00 2.02 H new ATOM 0 HE3 LYS A 77 23.536 -10.370 2.880 1.00 2.02 H new ATOM 0 HZ1 LYS A 77 25.015 -12.176 2.305 1.00 2.54 H new ATOM 0 HZ2 LYS A 77 23.466 -12.782 2.646 1.00 2.54 H new ATOM 0 HZ3 LYS A 77 23.995 -12.661 1.037 1.00 2.54 H new ATOM 1232 N LYS A 78 17.654 -10.903 -1.044 1.00 0.74 N ATOM 1233 CA LYS A 78 16.256 -10.865 -1.444 1.00 0.72 C ATOM 1234 C LYS A 78 15.360 -10.707 -0.226 1.00 0.64 C ATOM 1235 O LYS A 78 15.400 -11.521 0.697 1.00 0.78 O ATOM 1236 CB LYS A 78 15.877 -12.137 -2.205 1.00 0.81 C ATOM 1237 CG LYS A 78 16.774 -12.419 -3.395 1.00 0.92 C ATOM 1238 CD LYS A 78 16.377 -13.706 -4.104 1.00 1.05 C ATOM 1239 CE LYS A 78 15.482 -13.434 -5.301 1.00 1.73 C ATOM 1240 NZ LYS A 78 16.255 -12.901 -6.454 1.00 2.52 N ATOM 0 H LYS A 78 18.017 -11.839 -0.862 1.00 0.74 H new ATOM 0 HA LYS A 78 16.115 -10.008 -2.102 1.00 0.72 H new ATOM 0 HB2 LYS A 78 15.916 -12.985 -1.522 1.00 0.81 H new ATOM 0 HB3 LYS A 78 14.846 -12.052 -2.549 1.00 0.81 H new ATOM 0 HG2 LYS A 78 16.722 -11.586 -4.096 1.00 0.92 H new ATOM 0 HG3 LYS A 78 17.809 -12.491 -3.062 1.00 0.92 H new ATOM 0 HD2 LYS A 78 17.273 -14.232 -4.432 1.00 1.05 H new ATOM 0 HD3 LYS A 78 15.860 -14.362 -3.404 1.00 1.05 H new ATOM 0 HE2 LYS A 78 14.977 -14.354 -5.595 1.00 1.73 H new ATOM 0 HE3 LYS A 78 14.707 -12.721 -5.021 1.00 1.73 H new ATOM 0 HZ1 LYS A 78 15.674 -12.212 -6.973 1.00 2.52 H new ATOM 0 HZ2 LYS A 78 17.118 -12.435 -6.108 1.00 2.52 H new ATOM 0 HZ3 LYS A 78 16.514 -13.683 -7.089 1.00 2.52 H new ATOM 1254 N VAL A 79 14.574 -9.648 -0.220 1.00 0.53 N ATOM 1255 CA VAL A 79 13.636 -9.388 0.860 1.00 0.49 C ATOM 1256 C VAL A 79 12.270 -9.041 0.285 1.00 0.43 C ATOM 1257 O VAL A 79 12.177 -8.449 -0.788 1.00 0.45 O ATOM 1258 CB VAL A 79 14.120 -8.238 1.775 1.00 0.57 C ATOM 1259 CG1 VAL A 79 15.294 -8.689 2.631 1.00 1.31 C ATOM 1260 CG2 VAL A 79 14.505 -7.015 0.953 1.00 1.38 C ATOM 0 H VAL A 79 14.566 -8.945 -0.959 1.00 0.53 H new ATOM 0 HA VAL A 79 13.567 -10.293 1.464 1.00 0.49 H new ATOM 0 HB VAL A 79 13.296 -7.964 2.433 1.00 0.57 H new ATOM 0 HG11 VAL A 79 15.618 -7.865 3.267 1.00 1.31 H new ATOM 0 HG12 VAL A 79 14.988 -9.529 3.254 1.00 1.31 H new ATOM 0 HG13 VAL A 79 16.118 -8.996 1.986 1.00 1.31 H new ATOM 0 HG21 VAL A 79 14.842 -6.220 1.619 1.00 1.38 H new ATOM 0 HG22 VAL A 79 15.309 -7.277 0.265 1.00 1.38 H new ATOM 0 HG23 VAL A 79 13.640 -6.671 0.386 1.00 1.38 H new ATOM 1270 N THR A 80 11.212 -9.428 0.980 1.00 0.42 N ATOM 1271 CA THR A 80 9.868 -9.126 0.516 1.00 0.40 C ATOM 1272 C THR A 80 9.510 -7.687 0.858 1.00 0.39 C ATOM 1273 O THR A 80 10.212 -7.047 1.646 1.00 0.42 O ATOM 1274 CB THR A 80 8.814 -10.071 1.137 1.00 0.42 C ATOM 1275 OG1 THR A 80 8.623 -9.765 2.524 1.00 0.49 O ATOM 1276 CG2 THR A 80 9.241 -11.524 0.999 1.00 0.45 C ATOM 0 H THR A 80 11.256 -9.946 1.858 1.00 0.42 H new ATOM 0 HA THR A 80 9.859 -9.271 -0.564 1.00 0.40 H new ATOM 0 HB THR A 80 7.877 -9.923 0.600 1.00 0.42 H new ATOM 0 HG1 THR A 80 7.952 -10.370 2.903 1.00 0.49 H new ATOM 0 HG21 THR A 80 8.483 -12.170 1.443 1.00 0.45 H new ATOM 0 HG22 THR A 80 9.355 -11.771 -0.057 1.00 0.45 H new ATOM 0 HG23 THR A 80 10.191 -11.674 1.511 1.00 0.45 H new ATOM 1284 N ILE A 81 8.434 -7.176 0.275 1.00 0.40 N ATOM 1285 CA ILE A 81 7.960 -5.841 0.613 1.00 0.40 C ATOM 1286 C ILE A 81 7.712 -5.754 2.116 1.00 0.36 C ATOM 1287 O ILE A 81 8.117 -4.795 2.777 1.00 0.37 O ATOM 1288 CB ILE A 81 6.663 -5.483 -0.150 1.00 0.44 C ATOM 1289 CG1 ILE A 81 6.898 -5.537 -1.665 1.00 0.60 C ATOM 1290 CG2 ILE A 81 6.156 -4.105 0.259 1.00 0.48 C ATOM 1291 CD1 ILE A 81 7.973 -4.590 -2.157 1.00 0.81 C ATOM 0 H ILE A 81 7.877 -7.661 -0.429 1.00 0.40 H new ATOM 0 HA ILE A 81 8.728 -5.127 0.318 1.00 0.40 H new ATOM 0 HB ILE A 81 5.902 -6.219 0.111 1.00 0.44 H new ATOM 0 HG12 ILE A 81 7.170 -6.555 -1.944 1.00 0.60 H new ATOM 0 HG13 ILE A 81 5.963 -5.306 -2.176 1.00 0.60 H new ATOM 0 HG21 ILE A 81 5.243 -3.875 -0.291 1.00 0.48 H new ATOM 0 HG22 ILE A 81 5.947 -4.097 1.329 1.00 0.48 H new ATOM 0 HG23 ILE A 81 6.915 -3.356 0.032 1.00 0.48 H new ATOM 0 HD11 ILE A 81 8.078 -4.689 -3.237 1.00 0.81 H new ATOM 0 HD12 ILE A 81 7.695 -3.565 -1.912 1.00 0.81 H new ATOM 0 HD13 ILE A 81 8.920 -4.834 -1.676 1.00 0.81 H new ATOM 1303 N ALA A 82 7.093 -6.798 2.655 1.00 0.36 N ATOM 1304 CA ALA A 82 6.797 -6.864 4.077 1.00 0.39 C ATOM 1305 C ALA A 82 8.078 -6.947 4.901 1.00 0.41 C ATOM 1306 O ALA A 82 8.175 -6.342 5.967 1.00 0.43 O ATOM 1307 CB ALA A 82 5.894 -8.054 4.374 1.00 0.44 C ATOM 0 H ALA A 82 6.786 -7.613 2.124 1.00 0.36 H new ATOM 0 HA ALA A 82 6.276 -5.949 4.358 1.00 0.39 H new ATOM 0 HB1 ALA A 82 5.681 -8.091 5.442 1.00 0.44 H new ATOM 0 HB2 ALA A 82 4.961 -7.949 3.821 1.00 0.44 H new ATOM 0 HB3 ALA A 82 6.394 -8.974 4.072 1.00 0.44 H new ATOM 1313 N SER A 83 9.056 -7.693 4.398 1.00 0.46 N ATOM 1314 CA SER A 83 10.340 -7.835 5.074 1.00 0.54 C ATOM 1315 C SER A 83 11.042 -6.486 5.193 1.00 0.53 C ATOM 1316 O SER A 83 11.708 -6.207 6.191 1.00 0.56 O ATOM 1317 CB SER A 83 11.237 -8.818 4.319 1.00 0.67 C ATOM 1318 OG SER A 83 10.619 -10.088 4.196 1.00 1.08 O ATOM 0 H SER A 83 8.983 -8.210 3.522 1.00 0.46 H new ATOM 0 HA SER A 83 10.151 -8.222 6.076 1.00 0.54 H new ATOM 0 HB2 SER A 83 11.461 -8.422 3.328 1.00 0.67 H new ATOM 0 HB3 SER A 83 12.187 -8.923 4.843 1.00 0.67 H new ATOM 0 HG SER A 83 10.038 -10.094 3.407 1.00 1.08 H new ATOM 1324 N TYR A 84 10.883 -5.651 4.170 1.00 0.51 N ATOM 1325 CA TYR A 84 11.485 -4.327 4.167 1.00 0.55 C ATOM 1326 C TYR A 84 10.895 -3.465 5.274 1.00 0.53 C ATOM 1327 O TYR A 84 11.627 -2.833 6.037 1.00 0.57 O ATOM 1328 CB TYR A 84 11.285 -3.649 2.813 1.00 0.58 C ATOM 1329 CG TYR A 84 11.867 -2.257 2.753 1.00 0.64 C ATOM 1330 CD1 TYR A 84 13.239 -2.055 2.819 1.00 0.74 C ATOM 1331 CD2 TYR A 84 11.042 -1.148 2.645 1.00 0.63 C ATOM 1332 CE1 TYR A 84 13.775 -0.784 2.774 1.00 0.81 C ATOM 1333 CE2 TYR A 84 11.570 0.129 2.602 1.00 0.71 C ATOM 1334 CZ TYR A 84 12.938 0.306 2.667 1.00 0.80 C ATOM 1335 OH TYR A 84 13.470 1.573 2.631 1.00 0.88 O ATOM 0 H TYR A 84 10.342 -5.870 3.334 1.00 0.51 H new ATOM 0 HA TYR A 84 12.554 -4.442 4.347 1.00 0.55 H new ATOM 0 HB2 TYR A 84 11.743 -4.261 2.036 1.00 0.58 H new ATOM 0 HB3 TYR A 84 10.219 -3.600 2.593 1.00 0.58 H new ATOM 0 HD1 TYR A 84 13.898 -2.906 2.907 1.00 0.74 H new ATOM 0 HD2 TYR A 84 9.972 -1.284 2.594 1.00 0.63 H new ATOM 0 HE1 TYR A 84 14.845 -0.644 2.822 1.00 0.81 H new ATOM 0 HE2 TYR A 84 10.916 0.984 2.518 1.00 0.71 H new ATOM 0 HH TYR A 84 13.092 2.065 1.872 1.00 0.88 H new ATOM 1345 N PHE A 85 9.574 -3.451 5.366 1.00 0.48 N ATOM 1346 CA PHE A 85 8.901 -2.696 6.410 1.00 0.48 C ATOM 1347 C PHE A 85 9.214 -3.281 7.777 1.00 0.51 C ATOM 1348 O PHE A 85 9.405 -2.546 8.740 1.00 0.59 O ATOM 1349 CB PHE A 85 7.393 -2.654 6.168 1.00 0.48 C ATOM 1350 CG PHE A 85 7.004 -1.721 5.053 1.00 0.51 C ATOM 1351 CD1 PHE A 85 6.806 -0.373 5.303 1.00 0.87 C ATOM 1352 CD2 PHE A 85 6.842 -2.189 3.760 1.00 0.57 C ATOM 1353 CE1 PHE A 85 6.455 0.492 4.285 1.00 0.94 C ATOM 1354 CE2 PHE A 85 6.490 -1.329 2.736 1.00 0.65 C ATOM 1355 CZ PHE A 85 6.296 0.014 2.998 1.00 0.70 C ATOM 0 H PHE A 85 8.950 -3.952 4.733 1.00 0.48 H new ATOM 0 HA PHE A 85 9.272 -1.672 6.383 1.00 0.48 H new ATOM 0 HB2 PHE A 85 7.040 -3.658 5.934 1.00 0.48 H new ATOM 0 HB3 PHE A 85 6.892 -2.345 7.085 1.00 0.48 H new ATOM 0 HD1 PHE A 85 6.928 0.006 6.307 1.00 0.87 H new ATOM 0 HD2 PHE A 85 6.992 -3.237 3.549 1.00 0.57 H new ATOM 0 HE1 PHE A 85 6.305 1.541 4.494 1.00 0.94 H new ATOM 0 HE2 PHE A 85 6.367 -1.707 1.732 1.00 0.65 H new ATOM 0 HZ PHE A 85 6.021 0.688 2.200 1.00 0.70 H new ATOM 1365 N HIS A 86 9.295 -4.602 7.852 1.00 0.49 N ATOM 1366 CA HIS A 86 9.665 -5.271 9.093 1.00 0.54 C ATOM 1367 C HIS A 86 11.072 -4.842 9.519 1.00 0.57 C ATOM 1368 O HIS A 86 11.355 -4.689 10.704 1.00 0.62 O ATOM 1369 CB HIS A 86 9.603 -6.792 8.923 1.00 0.57 C ATOM 1370 CG HIS A 86 9.471 -7.552 10.214 1.00 0.63 C ATOM 1371 ND1 HIS A 86 8.984 -8.836 10.240 1.00 0.96 N ATOM 1372 CD2 HIS A 86 9.771 -7.170 11.481 1.00 0.74 C ATOM 1373 CE1 HIS A 86 8.999 -9.204 11.509 1.00 0.98 C ATOM 1374 NE2 HIS A 86 9.467 -8.227 12.298 1.00 0.79 N ATOM 0 H HIS A 86 9.110 -5.231 7.071 1.00 0.49 H new ATOM 0 HA HIS A 86 8.956 -4.983 9.869 1.00 0.54 H new ATOM 0 HB2 HIS A 86 8.758 -7.040 8.280 1.00 0.57 H new ATOM 0 HB3 HIS A 86 10.504 -7.126 8.408 1.00 0.57 H new ATOM 0 HD2 HIS A 86 10.173 -6.215 11.787 1.00 0.74 H new ATOM 0 HE1 HIS A 86 8.675 -10.171 11.866 1.00 0.98 H new ATOM 0 HE2 HIS A 86 9.576 -8.263 13.312 1.00 0.79 H new ATOM 1382 N SER A 87 11.937 -4.625 8.534 1.00 0.57 N ATOM 1383 CA SER A 87 13.291 -4.147 8.780 1.00 0.65 C ATOM 1384 C SER A 87 13.260 -2.723 9.342 1.00 0.67 C ATOM 1385 O SER A 87 14.190 -2.290 10.022 1.00 0.75 O ATOM 1386 CB SER A 87 14.115 -4.202 7.489 1.00 0.68 C ATOM 1387 OG SER A 87 15.485 -3.920 7.729 1.00 1.36 O ATOM 0 H SER A 87 11.720 -4.775 7.549 1.00 0.57 H new ATOM 0 HA SER A 87 13.763 -4.795 9.518 1.00 0.65 H new ATOM 0 HB2 SER A 87 14.020 -5.190 7.038 1.00 0.68 H new ATOM 0 HB3 SER A 87 13.716 -3.485 6.772 1.00 0.68 H new ATOM 0 HG SER A 87 15.981 -3.965 6.885 1.00 1.36 H new ATOM 1393 N ARG A 88 12.180 -2.000 9.053 1.00 0.61 N ATOM 1394 CA ARG A 88 11.969 -0.661 9.600 1.00 0.67 C ATOM 1395 C ARG A 88 11.285 -0.757 10.959 1.00 0.64 C ATOM 1396 O ARG A 88 10.721 0.218 11.453 1.00 0.70 O ATOM 1397 CB ARG A 88 11.118 0.186 8.646 1.00 0.74 C ATOM 1398 CG ARG A 88 11.614 0.195 7.207 1.00 0.92 C ATOM 1399 CD ARG A 88 13.048 0.693 7.093 1.00 0.97 C ATOM 1400 NE ARG A 88 13.200 2.068 7.567 1.00 1.13 N ATOM 1401 CZ ARG A 88 13.859 3.017 6.903 1.00 1.42 C ATOM 1402 NH1 ARG A 88 14.354 2.779 5.697 1.00 1.76 N ATOM 1403 NH2 ARG A 88 14.006 4.218 7.439 1.00 2.11 N ATOM 0 H ARG A 88 11.432 -2.322 8.438 1.00 0.61 H new ATOM 0 HA ARG A 88 12.939 -0.179 9.718 1.00 0.67 H new ATOM 0 HB2 ARG A 88 10.094 -0.187 8.663 1.00 0.74 H new ATOM 0 HB3 ARG A 88 11.090 1.211 9.015 1.00 0.74 H new ATOM 0 HG2 ARG A 88 11.548 -0.812 6.796 1.00 0.92 H new ATOM 0 HG3 ARG A 88 10.963 0.828 6.605 1.00 0.92 H new ATOM 0 HD2 ARG A 88 13.704 0.039 7.668 1.00 0.97 H new ATOM 0 HD3 ARG A 88 13.369 0.632 6.053 1.00 0.97 H new ATOM 0 HE ARG A 88 12.776 2.316 8.461 1.00 1.13 H new ATOM 0 HH11 ARG A 88 14.232 1.862 5.268 1.00 1.76 H new ATOM 0 HH12 ARG A 88 14.857 3.513 5.198 1.00 1.76 H new ATOM 0 HH21 ARG A 88 13.615 4.417 8.360 1.00 2.11 H new ATOM 0 HH22 ARG A 88 14.510 4.945 6.931 1.00 2.11 H new ATOM 1417 N ASN A 89 11.355 -1.950 11.552 1.00 0.61 N ATOM 1418 CA ASN A 89 10.679 -2.253 12.811 1.00 0.63 C ATOM 1419 C ASN A 89 9.180 -2.019 12.651 1.00 0.66 C ATOM 1420 O ASN A 89 8.515 -1.450 13.516 1.00 0.83 O ATOM 1421 CB ASN A 89 11.249 -1.417 13.965 1.00 0.70 C ATOM 1422 CG ASN A 89 10.741 -1.876 15.322 1.00 1.30 C ATOM 1423 OD1 ASN A 89 10.462 -3.058 15.530 1.00 2.07 O ATOM 1424 ND2 ASN A 89 10.615 -0.942 16.249 1.00 1.91 N ATOM 0 H ASN A 89 11.884 -2.734 11.170 1.00 0.61 H new ATOM 0 HA ASN A 89 10.851 -3.300 13.059 1.00 0.63 H new ATOM 0 HB2 ASN A 89 12.337 -1.476 13.949 1.00 0.70 H new ATOM 0 HB3 ASN A 89 10.984 -0.370 13.816 1.00 0.70 H new ATOM 0 HD21 ASN A 89 10.275 -1.189 17.179 1.00 1.91 H new ATOM 0 HD22 ASN A 89 10.857 0.025 16.035 1.00 1.91 H new ATOM 1431 N TYR A 90 8.660 -2.454 11.517 1.00 0.56 N ATOM 1432 CA TYR A 90 7.261 -2.262 11.198 1.00 0.64 C ATOM 1433 C TYR A 90 6.665 -3.544 10.621 1.00 0.59 C ATOM 1434 O TYR A 90 6.402 -3.625 9.422 1.00 0.57 O ATOM 1435 CB TYR A 90 7.118 -1.119 10.191 1.00 0.76 C ATOM 1436 CG TYR A 90 5.900 -0.265 10.412 1.00 1.02 C ATOM 1437 CD1 TYR A 90 4.644 -0.683 9.999 1.00 1.04 C ATOM 1438 CD2 TYR A 90 6.012 0.963 11.044 1.00 1.67 C ATOM 1439 CE1 TYR A 90 3.526 0.101 10.208 1.00 1.39 C ATOM 1440 CE2 TYR A 90 4.900 1.759 11.258 1.00 2.09 C ATOM 1441 CZ TYR A 90 3.658 1.322 10.839 1.00 1.94 C ATOM 1442 OH TYR A 90 2.543 2.105 11.049 1.00 2.32 O ATOM 0 H TYR A 90 9.192 -2.946 10.799 1.00 0.56 H new ATOM 0 HA TYR A 90 6.721 -2.010 12.111 1.00 0.64 H new ATOM 0 HB2 TYR A 90 8.006 -0.489 10.242 1.00 0.76 H new ATOM 0 HB3 TYR A 90 7.080 -1.536 9.185 1.00 0.76 H new ATOM 0 HD1 TYR A 90 4.538 -1.638 9.506 1.00 1.04 H new ATOM 0 HD2 TYR A 90 6.982 1.304 11.375 1.00 1.67 H new ATOM 0 HE1 TYR A 90 2.555 -0.239 9.880 1.00 1.39 H new ATOM 0 HE2 TYR A 90 5.002 2.715 11.749 1.00 2.09 H new ATOM 0 HH TYR A 90 2.805 2.932 11.505 1.00 2.32 H new ATOM 1452 N PRO A 91 6.468 -4.577 11.461 1.00 0.61 N ATOM 1453 CA PRO A 91 5.851 -5.826 11.020 1.00 0.62 C ATOM 1454 C PRO A 91 4.421 -5.590 10.553 1.00 0.65 C ATOM 1455 O PRO A 91 3.552 -5.215 11.345 1.00 0.86 O ATOM 1456 CB PRO A 91 5.884 -6.721 12.264 1.00 0.68 C ATOM 1457 CG PRO A 91 6.052 -5.790 13.415 1.00 0.72 C ATOM 1458 CD PRO A 91 6.823 -4.611 12.891 1.00 0.69 C ATOM 0 HA PRO A 91 6.371 -6.273 10.173 1.00 0.62 H new ATOM 0 HB2 PRO A 91 4.965 -7.299 12.357 1.00 0.68 H new ATOM 0 HB3 PRO A 91 6.706 -7.435 12.213 1.00 0.68 H new ATOM 0 HG2 PRO A 91 5.084 -5.479 13.808 1.00 0.72 H new ATOM 0 HG3 PRO A 91 6.588 -6.274 14.232 1.00 0.72 H new ATOM 0 HD2 PRO A 91 6.539 -3.688 13.397 1.00 0.69 H new ATOM 0 HD3 PRO A 91 7.896 -4.737 13.035 1.00 0.69 H new ATOM 1466 N LEU A 92 4.194 -5.780 9.259 1.00 0.53 N ATOM 1467 CA LEU A 92 2.892 -5.523 8.663 1.00 0.55 C ATOM 1468 C LEU A 92 1.813 -6.380 9.302 1.00 0.56 C ATOM 1469 O LEU A 92 1.923 -7.606 9.373 1.00 0.59 O ATOM 1470 CB LEU A 92 2.926 -5.768 7.152 1.00 0.59 C ATOM 1471 CG LEU A 92 3.818 -4.810 6.359 1.00 0.57 C ATOM 1472 CD1 LEU A 92 3.700 -5.085 4.870 1.00 0.65 C ATOM 1473 CD2 LEU A 92 3.458 -3.363 6.664 1.00 0.62 C ATOM 0 H LEU A 92 4.899 -6.113 8.601 1.00 0.53 H new ATOM 0 HA LEU A 92 2.652 -4.476 8.845 1.00 0.55 H new ATOM 0 HB2 LEU A 92 3.265 -6.788 6.973 1.00 0.59 H new ATOM 0 HB3 LEU A 92 1.909 -5.697 6.765 1.00 0.59 H new ATOM 0 HG LEU A 92 4.852 -4.976 6.661 1.00 0.57 H new ATOM 0 HD11 LEU A 92 4.341 -4.395 4.321 1.00 0.65 H new ATOM 0 HD12 LEU A 92 4.009 -6.110 4.664 1.00 0.65 H new ATOM 0 HD13 LEU A 92 2.665 -4.948 4.556 1.00 0.65 H new ATOM 0 HD21 LEU A 92 4.104 -2.699 6.090 1.00 0.62 H new ATOM 0 HD22 LEU A 92 2.418 -3.182 6.392 1.00 0.62 H new ATOM 0 HD23 LEU A 92 3.594 -3.171 7.728 1.00 0.62 H new ATOM 1485 N LYS A 93 0.781 -5.695 9.784 1.00 0.63 N ATOM 1486 CA LYS A 93 -0.381 -6.329 10.394 1.00 0.68 C ATOM 1487 C LYS A 93 -1.003 -7.338 9.440 1.00 0.61 C ATOM 1488 O LYS A 93 -1.446 -8.410 9.852 1.00 0.68 O ATOM 1489 CB LYS A 93 -1.417 -5.261 10.749 1.00 0.83 C ATOM 1490 CG LYS A 93 -0.869 -4.150 11.631 1.00 0.91 C ATOM 1491 CD LYS A 93 -1.724 -2.893 11.545 1.00 1.28 C ATOM 1492 CE LYS A 93 -3.142 -3.126 12.041 1.00 1.57 C ATOM 1493 NZ LYS A 93 -4.007 -1.939 11.814 1.00 2.22 N ATOM 0 H LYS A 93 0.728 -4.677 9.762 1.00 0.63 H new ATOM 0 HA LYS A 93 -0.061 -6.850 11.296 1.00 0.68 H new ATOM 0 HB2 LYS A 93 -1.806 -4.825 9.829 1.00 0.83 H new ATOM 0 HB3 LYS A 93 -2.257 -5.736 11.257 1.00 0.83 H new ATOM 0 HG2 LYS A 93 -0.828 -4.492 12.665 1.00 0.91 H new ATOM 0 HG3 LYS A 93 0.153 -3.917 11.331 1.00 0.91 H new ATOM 0 HD2 LYS A 93 -1.261 -2.100 12.133 1.00 1.28 H new ATOM 0 HD3 LYS A 93 -1.755 -2.547 10.512 1.00 1.28 H new ATOM 0 HE2 LYS A 93 -3.568 -3.990 11.531 1.00 1.57 H new ATOM 0 HE3 LYS A 93 -3.121 -3.363 13.105 1.00 1.57 H new ATOM 0 HZ1 LYS A 93 -5.001 -2.199 11.973 1.00 2.22 H new ATOM 0 HZ2 LYS A 93 -3.737 -1.181 12.473 1.00 2.22 H new ATOM 0 HZ3 LYS A 93 -3.889 -1.605 10.836 1.00 2.22 H new ATOM 1507 N PHE A 94 -1.037 -6.976 8.165 1.00 0.52 N ATOM 1508 CA PHE A 94 -1.579 -7.841 7.130 1.00 0.50 C ATOM 1509 C PHE A 94 -0.638 -7.867 5.927 1.00 0.44 C ATOM 1510 O PHE A 94 -0.793 -7.082 4.994 1.00 0.42 O ATOM 1511 CB PHE A 94 -2.963 -7.352 6.684 1.00 0.51 C ATOM 1512 CG PHE A 94 -3.924 -7.095 7.810 1.00 0.59 C ATOM 1513 CD1 PHE A 94 -4.569 -8.142 8.450 1.00 0.68 C ATOM 1514 CD2 PHE A 94 -4.179 -5.800 8.228 1.00 0.66 C ATOM 1515 CE1 PHE A 94 -5.451 -7.899 9.485 1.00 0.78 C ATOM 1516 CE2 PHE A 94 -5.059 -5.551 9.262 1.00 0.78 C ATOM 1517 CZ PHE A 94 -5.697 -6.602 9.892 1.00 0.81 C ATOM 0 H PHE A 94 -0.692 -6.080 7.822 1.00 0.52 H new ATOM 0 HA PHE A 94 -1.676 -8.846 7.541 1.00 0.50 H new ATOM 0 HB2 PHE A 94 -2.842 -6.434 6.109 1.00 0.51 H new ATOM 0 HB3 PHE A 94 -3.398 -8.093 6.014 1.00 0.51 H new ATOM 0 HD1 PHE A 94 -4.380 -9.158 8.136 1.00 0.68 H new ATOM 0 HD2 PHE A 94 -3.683 -4.974 7.739 1.00 0.66 H new ATOM 0 HE1 PHE A 94 -5.948 -8.723 9.976 1.00 0.78 H new ATOM 0 HE2 PHE A 94 -5.248 -4.536 9.578 1.00 0.78 H new ATOM 0 HZ PHE A 94 -6.386 -6.410 10.701 1.00 0.81 H new ATOM 1527 N PRO A 95 0.369 -8.752 5.940 1.00 0.48 N ATOM 1528 CA PRO A 95 1.308 -8.907 4.820 1.00 0.51 C ATOM 1529 C PRO A 95 0.636 -9.518 3.592 1.00 0.47 C ATOM 1530 O PRO A 95 1.204 -9.536 2.495 1.00 0.51 O ATOM 1531 CB PRO A 95 2.382 -9.858 5.371 1.00 0.64 C ATOM 1532 CG PRO A 95 2.161 -9.890 6.847 1.00 0.65 C ATOM 1533 CD PRO A 95 0.694 -9.661 7.044 1.00 0.59 C ATOM 0 HA PRO A 95 1.707 -7.948 4.488 1.00 0.51 H new ATOM 0 HB2 PRO A 95 2.286 -10.853 4.937 1.00 0.64 H new ATOM 0 HB3 PRO A 95 3.384 -9.501 5.131 1.00 0.64 H new ATOM 0 HG2 PRO A 95 2.467 -10.848 7.268 1.00 0.65 H new ATOM 0 HG3 PRO A 95 2.748 -9.120 7.347 1.00 0.65 H new ATOM 0 HD2 PRO A 95 0.126 -10.590 6.987 1.00 0.59 H new ATOM 0 HD3 PRO A 95 0.479 -9.215 8.015 1.00 0.59 H new ATOM 1541 N GLN A 96 -0.586 -9.997 3.791 1.00 0.45 N ATOM 1542 CA GLN A 96 -1.364 -10.631 2.737 1.00 0.44 C ATOM 1543 C GLN A 96 -2.196 -9.584 1.991 1.00 0.39 C ATOM 1544 O GLN A 96 -3.155 -9.909 1.289 1.00 0.43 O ATOM 1545 CB GLN A 96 -2.279 -11.702 3.350 1.00 0.53 C ATOM 1546 CG GLN A 96 -2.766 -12.749 2.360 1.00 1.06 C ATOM 1547 CD GLN A 96 -1.629 -13.564 1.777 1.00 1.54 C ATOM 1548 OE1 GLN A 96 -1.059 -13.210 0.746 1.00 2.05 O ATOM 1549 NE2 GLN A 96 -1.293 -14.666 2.427 1.00 2.31 N ATOM 0 H GLN A 96 -1.065 -9.956 4.690 1.00 0.45 H new ATOM 0 HA GLN A 96 -0.687 -11.104 2.025 1.00 0.44 H new ATOM 0 HB2 GLN A 96 -1.743 -12.203 4.157 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -3.144 -11.212 3.798 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -3.470 -13.416 2.857 1.00 1.06 H new ATOM 0 HG3 GLN A 96 -3.309 -12.257 1.553 1.00 1.06 H new ATOM 0 HE21 GLN A 96 -1.789 -14.927 3.279 1.00 2.31 H new ATOM 0 HE22 GLN A 96 -0.538 -15.255 2.076 1.00 2.31 H new ATOM 1558 N LEU A 97 -1.829 -8.320 2.163 1.00 0.44 N ATOM 1559 CA LEU A 97 -2.522 -7.225 1.502 1.00 0.54 C ATOM 1560 C LEU A 97 -1.952 -6.955 0.128 1.00 0.63 C ATOM 1561 O LEU A 97 -0.736 -6.983 -0.074 1.00 1.25 O ATOM 1562 CB LEU A 97 -2.431 -5.942 2.322 1.00 0.69 C ATOM 1563 CG LEU A 97 -3.277 -5.910 3.585 1.00 0.86 C ATOM 1564 CD1 LEU A 97 -3.172 -4.546 4.242 1.00 1.56 C ATOM 1565 CD2 LEU A 97 -4.725 -6.243 3.264 1.00 1.35 C ATOM 0 H LEU A 97 -1.053 -8.029 2.757 1.00 0.44 H new ATOM 0 HA LEU A 97 -3.564 -7.530 1.407 1.00 0.54 H new ATOM 0 HB2 LEU A 97 -1.389 -5.782 2.600 1.00 0.69 H new ATOM 0 HB3 LEU A 97 -2.724 -5.105 1.688 1.00 0.69 H new ATOM 0 HG LEU A 97 -2.904 -6.662 4.280 1.00 0.86 H new ATOM 0 HD11 LEU A 97 -3.780 -4.530 5.146 1.00 1.56 H new ATOM 0 HD12 LEU A 97 -2.132 -4.346 4.501 1.00 1.56 H new ATOM 0 HD13 LEU A 97 -3.528 -3.781 3.552 1.00 1.56 H new ATOM 0 HD21 LEU A 97 -5.316 -6.216 4.179 1.00 1.35 H new ATOM 0 HD22 LEU A 97 -5.118 -5.513 2.556 1.00 1.35 H new ATOM 0 HD23 LEU A 97 -4.781 -7.240 2.826 1.00 1.35 H new ATOM 1577 N HIS A 98 -2.841 -6.682 -0.808 1.00 0.38 N ATOM 1578 CA HIS A 98 -2.438 -6.266 -2.134 1.00 0.38 C ATOM 1579 C HIS A 98 -2.181 -4.770 -2.150 1.00 0.43 C ATOM 1580 O HIS A 98 -3.117 -3.958 -2.126 1.00 0.49 O ATOM 1581 CB HIS A 98 -3.494 -6.644 -3.172 1.00 0.38 C ATOM 1582 CG HIS A 98 -3.580 -8.118 -3.427 1.00 0.37 C ATOM 1583 ND1 HIS A 98 -3.719 -9.012 -2.397 1.00 0.49 N ATOM 1584 CD2 HIS A 98 -3.519 -8.798 -4.597 1.00 0.46 C ATOM 1585 CE1 HIS A 98 -3.736 -10.206 -2.956 1.00 0.47 C ATOM 1586 NE2 HIS A 98 -3.620 -10.131 -4.288 1.00 0.46 N ATOM 0 H HIS A 98 -3.850 -6.742 -0.672 1.00 0.38 H new ATOM 0 HA HIS A 98 -1.516 -6.785 -2.395 1.00 0.38 H new ATOM 0 HB2 HIS A 98 -4.467 -6.284 -2.837 1.00 0.38 H new ATOM 0 HB3 HIS A 98 -3.270 -6.134 -4.109 1.00 0.38 H new ATOM 0 HD2 HIS A 98 -3.411 -8.372 -5.584 1.00 0.46 H new ATOM 0 HE1 HIS A 98 -3.832 -11.131 -2.407 1.00 0.47 H new ATOM 0 HE2 HIS A 98 -3.609 -10.912 -4.944 1.00 0.46 H new ATOM 1594 N CYS A 99 -0.905 -4.418 -2.157 1.00 0.50 N ATOM 1595 CA CYS A 99 -0.475 -3.032 -2.121 1.00 0.56 C ATOM 1596 C CYS A 99 -0.839 -2.290 -3.403 1.00 0.41 C ATOM 1597 O CYS A 99 -1.076 -2.899 -4.451 1.00 0.38 O ATOM 1598 CB CYS A 99 1.032 -2.976 -1.899 1.00 0.76 C ATOM 1599 SG CYS A 99 1.571 -3.717 -0.344 1.00 1.19 S ATOM 0 H CYS A 99 -0.137 -5.089 -2.188 1.00 0.50 H new ATOM 0 HA CYS A 99 -0.993 -2.539 -1.299 1.00 0.56 H new ATOM 0 HB2 CYS A 99 1.530 -3.485 -2.724 1.00 0.76 H new ATOM 0 HB3 CYS A 99 1.355 -1.935 -1.925 1.00 0.76 H new ATOM 0 HG CYS A 99 2.864 -3.625 -0.244 1.00 1.19 H new ATOM 1605 N LEU A 100 -0.870 -0.969 -3.298 1.00 0.43 N ATOM 1606 CA LEU A 100 -1.211 -0.105 -4.412 1.00 0.39 C ATOM 1607 C LEU A 100 -0.074 -0.056 -5.406 1.00 0.28 C ATOM 1608 O LEU A 100 1.058 0.205 -5.028 1.00 0.27 O ATOM 1609 CB LEU A 100 -1.449 1.320 -3.923 1.00 0.58 C ATOM 1610 CG LEU A 100 -2.474 1.497 -2.817 1.00 0.66 C ATOM 1611 CD1 LEU A 100 -2.268 2.832 -2.127 1.00 1.53 C ATOM 1612 CD2 LEU A 100 -3.861 1.431 -3.401 1.00 0.93 C ATOM 0 H LEU A 100 -0.658 -0.468 -2.435 1.00 0.43 H new ATOM 0 HA LEU A 100 -2.111 -0.506 -4.878 1.00 0.39 H new ATOM 0 HB2 LEU A 100 -0.498 1.724 -3.574 1.00 0.58 H new ATOM 0 HB3 LEU A 100 -1.759 1.925 -4.775 1.00 0.58 H new ATOM 0 HG LEU A 100 -2.352 0.699 -2.084 1.00 0.66 H new ATOM 0 HD11 LEU A 100 -3.008 2.950 -1.335 1.00 1.53 H new ATOM 0 HD12 LEU A 100 -1.267 2.869 -1.697 1.00 1.53 H new ATOM 0 HD13 LEU A 100 -2.381 3.638 -2.852 1.00 1.53 H new ATOM 0 HD21 LEU A 100 -4.597 1.558 -2.607 1.00 0.93 H new ATOM 0 HD22 LEU A 100 -3.983 2.224 -4.139 1.00 0.93 H new ATOM 0 HD23 LEU A 100 -4.008 0.463 -3.880 1.00 0.93 H new ATOM 1624 N ASN A 101 -0.365 -0.282 -6.666 1.00 0.29 N ATOM 1625 CA ASN A 101 0.629 -0.058 -7.694 1.00 0.29 C ATOM 1626 C ASN A 101 0.599 1.407 -8.074 1.00 0.29 C ATOM 1627 O ASN A 101 -0.239 1.859 -8.863 1.00 0.37 O ATOM 1628 CB ASN A 101 0.381 -0.955 -8.913 1.00 0.34 C ATOM 1629 CG ASN A 101 1.368 -0.716 -10.045 1.00 0.46 C ATOM 1630 OD1 ASN A 101 2.429 -1.339 -10.105 1.00 1.34 O ATOM 1631 ND2 ASN A 101 1.019 0.181 -10.957 1.00 0.83 N ATOM 0 H ASN A 101 -1.268 -0.616 -7.003 1.00 0.29 H new ATOM 0 HA ASN A 101 1.616 -0.317 -7.312 1.00 0.29 H new ATOM 0 HB2 ASN A 101 0.438 -1.999 -8.605 1.00 0.34 H new ATOM 0 HB3 ASN A 101 -0.631 -0.786 -9.281 1.00 0.34 H new ATOM 0 HD21 ASN A 101 1.638 0.376 -11.744 1.00 0.83 H new ATOM 0 HD22 ASN A 101 0.131 0.676 -10.872 1.00 0.83 H new ATOM 1638 N VAL A 102 1.493 2.142 -7.455 1.00 0.28 N ATOM 1639 CA VAL A 102 1.567 3.573 -7.606 1.00 0.30 C ATOM 1640 C VAL A 102 2.879 3.956 -8.261 1.00 0.31 C ATOM 1641 O VAL A 102 3.604 3.108 -8.790 1.00 0.35 O ATOM 1642 CB VAL A 102 1.468 4.278 -6.236 1.00 0.32 C ATOM 1643 CG1 VAL A 102 0.175 3.913 -5.526 1.00 0.86 C ATOM 1644 CG2 VAL A 102 2.668 3.926 -5.374 1.00 0.91 C ATOM 0 H VAL A 102 2.197 1.757 -6.825 1.00 0.28 H new ATOM 0 HA VAL A 102 0.731 3.889 -8.230 1.00 0.30 H new ATOM 0 HB VAL A 102 1.464 5.355 -6.407 1.00 0.32 H new ATOM 0 HG11 VAL A 102 0.132 4.423 -4.564 1.00 0.86 H new ATOM 0 HG12 VAL A 102 -0.674 4.218 -6.137 1.00 0.86 H new ATOM 0 HG13 VAL A 102 0.139 2.835 -5.367 1.00 0.86 H new ATOM 0 HG21 VAL A 102 2.585 4.430 -4.411 1.00 0.91 H new ATOM 0 HG22 VAL A 102 2.700 2.848 -5.218 1.00 0.91 H new ATOM 0 HG23 VAL A 102 3.582 4.247 -5.874 1.00 0.91 H new ATOM 1654 N GLY A 103 3.180 5.229 -8.196 1.00 0.35 N ATOM 1655 CA GLY A 103 4.416 5.729 -8.732 1.00 0.41 C ATOM 1656 C GLY A 103 4.303 6.087 -10.199 1.00 0.48 C ATOM 1657 O GLY A 103 3.452 6.891 -10.585 1.00 0.65 O ATOM 0 H GLY A 103 2.581 5.939 -7.775 1.00 0.35 H new ATOM 0 HA2 GLY A 103 4.724 6.609 -8.168 1.00 0.41 H new ATOM 0 HA3 GLY A 103 5.196 4.978 -8.602 1.00 0.41 H new ATOM 1661 N SER A 104 5.143 5.478 -11.016 1.00 0.78 N ATOM 1662 CA SER A 104 5.205 5.796 -12.432 1.00 0.88 C ATOM 1663 C SER A 104 5.696 4.593 -13.229 1.00 1.00 C ATOM 1664 O SER A 104 5.901 3.517 -12.665 1.00 1.10 O ATOM 1665 CB SER A 104 6.120 7.002 -12.660 1.00 0.91 C ATOM 1666 OG SER A 104 7.400 6.793 -12.086 1.00 1.52 O ATOM 0 H SER A 104 5.798 4.754 -10.720 1.00 0.78 H new ATOM 0 HA SER A 104 4.203 6.048 -12.778 1.00 0.88 H new ATOM 0 HB2 SER A 104 6.224 7.185 -13.729 1.00 0.91 H new ATOM 0 HB3 SER A 104 5.666 7.893 -12.227 1.00 0.91 H new ATOM 0 HG SER A 104 7.964 7.578 -12.248 1.00 1.52 H new ATOM 1672 N SER A 105 5.863 4.767 -14.536 1.00 1.06 N ATOM 1673 CA SER A 105 6.368 3.701 -15.391 1.00 1.19 C ATOM 1674 C SER A 105 7.729 3.216 -14.893 1.00 1.14 C ATOM 1675 O SER A 105 7.993 2.013 -14.840 1.00 1.20 O ATOM 1676 CB SER A 105 6.480 4.199 -16.831 1.00 1.36 C ATOM 1677 OG SER A 105 5.277 4.831 -17.243 1.00 1.77 O ATOM 0 H SER A 105 5.655 5.637 -15.026 1.00 1.06 H new ATOM 0 HA SER A 105 5.670 2.864 -15.357 1.00 1.19 H new ATOM 0 HB2 SER A 105 7.311 4.900 -16.914 1.00 1.36 H new ATOM 0 HB3 SER A 105 6.701 3.362 -17.493 1.00 1.36 H new ATOM 0 HG SER A 105 5.372 5.144 -18.167 1.00 1.77 H new ATOM 1683 N ILE A 106 8.581 4.160 -14.507 1.00 1.10 N ATOM 1684 CA ILE A 106 9.901 3.824 -13.991 1.00 1.09 C ATOM 1685 C ILE A 106 9.823 3.424 -12.521 1.00 0.89 C ATOM 1686 O ILE A 106 10.372 2.400 -12.117 1.00 0.95 O ATOM 1687 CB ILE A 106 10.909 4.987 -14.171 1.00 1.18 C ATOM 1688 CG1 ILE A 106 10.390 6.279 -13.528 1.00 1.25 C ATOM 1689 CG2 ILE A 106 11.192 5.211 -15.648 1.00 1.67 C ATOM 1690 CD1 ILE A 106 11.386 7.420 -13.562 1.00 1.60 C ATOM 0 H ILE A 106 8.381 5.160 -14.542 1.00 1.10 H new ATOM 0 HA ILE A 106 10.263 2.976 -14.573 1.00 1.09 H new ATOM 0 HB ILE A 106 11.836 4.711 -13.668 1.00 1.18 H new ATOM 0 HG12 ILE A 106 9.479 6.589 -14.040 1.00 1.25 H new ATOM 0 HG13 ILE A 106 10.120 6.075 -12.492 1.00 1.25 H new ATOM 0 HG21 ILE A 106 11.902 6.031 -15.762 1.00 1.67 H new ATOM 0 HG22 ILE A 106 11.614 4.303 -16.079 1.00 1.67 H new ATOM 0 HG23 ILE A 106 10.264 5.460 -16.163 1.00 1.67 H new ATOM 0 HD11 ILE A 106 10.948 8.299 -13.089 1.00 1.60 H new ATOM 0 HD12 ILE A 106 12.289 7.131 -13.024 1.00 1.60 H new ATOM 0 HD13 ILE A 106 11.638 7.652 -14.597 1.00 1.60 H new ATOM 1702 N LYS A 107 9.128 4.224 -11.724 1.00 0.77 N ATOM 1703 CA LYS A 107 8.947 3.924 -10.325 1.00 0.65 C ATOM 1704 C LYS A 107 7.724 3.042 -10.126 1.00 0.58 C ATOM 1705 O LYS A 107 6.633 3.530 -9.835 1.00 0.59 O ATOM 1706 CB LYS A 107 8.807 5.216 -9.544 1.00 0.80 C ATOM 1707 CG LYS A 107 8.616 5.013 -8.059 1.00 0.52 C ATOM 1708 CD LYS A 107 8.993 6.265 -7.320 1.00 1.41 C ATOM 1709 CE LYS A 107 10.380 6.143 -6.742 1.00 1.58 C ATOM 1710 NZ LYS A 107 10.735 7.302 -5.881 1.00 2.62 N ATOM 0 H LYS A 107 8.681 5.088 -12.032 1.00 0.77 H new ATOM 0 HA LYS A 107 9.818 3.381 -9.959 1.00 0.65 H new ATOM 0 HB2 LYS A 107 9.696 5.826 -9.707 1.00 0.80 H new ATOM 0 HB3 LYS A 107 7.959 5.777 -9.937 1.00 0.80 H new ATOM 0 HG2 LYS A 107 7.578 4.755 -7.849 1.00 0.52 H new ATOM 0 HG3 LYS A 107 9.228 4.179 -7.715 1.00 0.52 H new ATOM 0 HD2 LYS A 107 8.948 7.120 -7.995 1.00 1.41 H new ATOM 0 HD3 LYS A 107 8.275 6.452 -6.521 1.00 1.41 H new ATOM 0 HE2 LYS A 107 10.449 5.225 -6.159 1.00 1.58 H new ATOM 0 HE3 LYS A 107 11.104 6.060 -7.553 1.00 1.58 H new ATOM 0 HZ1 LYS A 107 11.697 7.174 -5.506 1.00 2.62 H new ATOM 0 HZ2 LYS A 107 10.696 8.177 -6.442 1.00 2.62 H new ATOM 0 HZ3 LYS A 107 10.061 7.367 -5.091 1.00 2.62 H new ATOM 1724 N SER A 108 7.911 1.746 -10.283 1.00 0.56 N ATOM 1725 CA SER A 108 6.842 0.798 -10.054 1.00 0.54 C ATOM 1726 C SER A 108 6.832 0.406 -8.588 1.00 0.48 C ATOM 1727 O SER A 108 7.517 -0.530 -8.178 1.00 0.55 O ATOM 1728 CB SER A 108 7.020 -0.430 -10.944 1.00 0.63 C ATOM 1729 OG SER A 108 7.135 -0.051 -12.307 1.00 1.12 O ATOM 0 H SER A 108 8.796 1.326 -10.569 1.00 0.56 H new ATOM 0 HA SER A 108 5.886 1.257 -10.307 1.00 0.54 H new ATOM 0 HB2 SER A 108 7.910 -0.981 -10.638 1.00 0.63 H new ATOM 0 HB3 SER A 108 6.171 -1.102 -10.819 1.00 0.63 H new ATOM 0 HG SER A 108 7.250 -0.851 -12.861 1.00 1.12 H new ATOM 1735 N ILE A 109 6.069 1.138 -7.800 1.00 0.39 N ATOM 1736 CA ILE A 109 6.087 0.955 -6.366 1.00 0.36 C ATOM 1737 C ILE A 109 4.739 0.491 -5.847 1.00 0.32 C ATOM 1738 O ILE A 109 3.690 0.818 -6.402 1.00 0.38 O ATOM 1739 CB ILE A 109 6.511 2.242 -5.632 1.00 0.37 C ATOM 1740 CG1 ILE A 109 5.835 3.461 -6.250 1.00 0.32 C ATOM 1741 CG2 ILE A 109 8.025 2.391 -5.662 1.00 0.54 C ATOM 1742 CD1 ILE A 109 6.108 4.746 -5.505 1.00 0.39 C ATOM 0 H ILE A 109 5.431 1.863 -8.129 1.00 0.39 H new ATOM 0 HA ILE A 109 6.826 0.180 -6.161 1.00 0.36 H new ATOM 0 HB ILE A 109 6.192 2.170 -4.592 1.00 0.37 H new ATOM 0 HG12 ILE A 109 6.172 3.570 -7.281 1.00 0.32 H new ATOM 0 HG13 ILE A 109 4.759 3.292 -6.283 1.00 0.32 H new ATOM 0 HG21 ILE A 109 8.311 3.304 -5.140 1.00 0.54 H new ATOM 0 HG22 ILE A 109 8.485 1.533 -5.171 1.00 0.54 H new ATOM 0 HG23 ILE A 109 8.365 2.443 -6.696 1.00 0.54 H new ATOM 0 HD11 ILE A 109 5.596 5.570 -6.001 1.00 0.39 H new ATOM 0 HD12 ILE A 109 5.745 4.657 -4.481 1.00 0.39 H new ATOM 0 HD13 ILE A 109 7.181 4.940 -5.494 1.00 0.39 H new ATOM 1754 N LEU A 110 4.794 -0.282 -4.784 1.00 0.33 N ATOM 1755 CA LEU A 110 3.617 -0.867 -4.178 1.00 0.34 C ATOM 1756 C LEU A 110 3.419 -0.252 -2.793 1.00 0.35 C ATOM 1757 O LEU A 110 4.296 -0.366 -1.938 1.00 0.41 O ATOM 1758 CB LEU A 110 3.788 -2.388 -4.025 1.00 0.43 C ATOM 1759 CG LEU A 110 3.921 -3.216 -5.316 1.00 0.47 C ATOM 1760 CD1 LEU A 110 5.242 -2.952 -6.029 1.00 1.01 C ATOM 1761 CD2 LEU A 110 3.797 -4.695 -4.989 1.00 1.08 C ATOM 0 H LEU A 110 5.665 -0.524 -4.312 1.00 0.33 H new ATOM 0 HA LEU A 110 2.755 -0.669 -4.815 1.00 0.34 H new ATOM 0 HB2 LEU A 110 4.674 -2.568 -3.416 1.00 0.43 H new ATOM 0 HB3 LEU A 110 2.933 -2.769 -3.466 1.00 0.43 H new ATOM 0 HG LEU A 110 3.118 -2.915 -5.989 1.00 0.47 H new ATOM 0 HD11 LEU A 110 5.294 -3.557 -6.934 1.00 1.01 H new ATOM 0 HD12 LEU A 110 5.308 -1.897 -6.293 1.00 1.01 H new ATOM 0 HD13 LEU A 110 6.070 -3.214 -5.370 1.00 1.01 H new ATOM 0 HD21 LEU A 110 3.891 -5.279 -5.904 1.00 1.08 H new ATOM 0 HD22 LEU A 110 4.586 -4.981 -4.293 1.00 1.08 H new ATOM 0 HD23 LEU A 110 2.825 -4.887 -4.535 1.00 1.08 H new ATOM 1773 N LEU A 111 2.283 0.386 -2.559 1.00 0.31 N ATOM 1774 CA LEU A 111 2.052 1.060 -1.287 1.00 0.34 C ATOM 1775 C LEU A 111 1.021 0.316 -0.444 1.00 0.36 C ATOM 1776 O LEU A 111 -0.115 0.109 -0.875 1.00 0.46 O ATOM 1777 CB LEU A 111 1.605 2.509 -1.513 1.00 0.34 C ATOM 1778 CG LEU A 111 2.631 3.411 -2.211 1.00 0.32 C ATOM 1779 CD1 LEU A 111 2.255 4.876 -2.055 1.00 0.38 C ATOM 1780 CD2 LEU A 111 4.020 3.160 -1.664 1.00 0.43 C ATOM 0 H LEU A 111 1.513 0.452 -3.224 1.00 0.31 H new ATOM 0 HA LEU A 111 2.996 1.066 -0.742 1.00 0.34 H new ATOM 0 HB2 LEU A 111 0.690 2.501 -2.106 1.00 0.34 H new ATOM 0 HB3 LEU A 111 1.356 2.950 -0.548 1.00 0.34 H new ATOM 0 HG LEU A 111 2.629 3.168 -3.274 1.00 0.32 H new ATOM 0 HD11 LEU A 111 2.996 5.497 -2.558 1.00 0.38 H new ATOM 0 HD12 LEU A 111 1.275 5.049 -2.499 1.00 0.38 H new ATOM 0 HD13 LEU A 111 2.224 5.133 -0.996 1.00 0.38 H new ATOM 0 HD21 LEU A 111 4.734 3.809 -2.171 1.00 0.43 H new ATOM 0 HD22 LEU A 111 4.034 3.372 -0.595 1.00 0.43 H new ATOM 0 HD23 LEU A 111 4.294 2.118 -1.831 1.00 0.43 H new ATOM 1792 N PRO A 112 1.423 -0.121 0.762 1.00 0.30 N ATOM 1793 CA PRO A 112 0.535 -0.821 1.699 1.00 0.29 C ATOM 1794 C PRO A 112 -0.758 -0.050 1.954 1.00 0.27 C ATOM 1795 O PRO A 112 -0.746 1.025 2.557 1.00 0.30 O ATOM 1796 CB PRO A 112 1.369 -0.911 2.978 1.00 0.33 C ATOM 1797 CG PRO A 112 2.781 -0.866 2.510 1.00 0.53 C ATOM 1798 CD PRO A 112 2.785 0.031 1.304 1.00 0.33 C ATOM 0 HA PRO A 112 0.217 -1.790 1.315 1.00 0.29 H new ATOM 0 HB2 PRO A 112 1.149 -0.084 3.654 1.00 0.33 H new ATOM 0 HB3 PRO A 112 1.161 -1.832 3.523 1.00 0.33 H new ATOM 0 HG2 PRO A 112 3.438 -0.478 3.288 1.00 0.53 H new ATOM 0 HG3 PRO A 112 3.141 -1.863 2.257 1.00 0.53 H new ATOM 0 HD2 PRO A 112 2.997 1.066 1.573 1.00 0.33 H new ATOM 0 HD3 PRO A 112 3.542 -0.272 0.580 1.00 0.33 H new ATOM 1806 N ILE A 113 -1.872 -0.627 1.510 1.00 0.27 N ATOM 1807 CA ILE A 113 -3.173 0.036 1.561 1.00 0.27 C ATOM 1808 C ILE A 113 -3.591 0.387 3.002 1.00 0.29 C ATOM 1809 O ILE A 113 -4.372 1.313 3.219 1.00 0.31 O ATOM 1810 CB ILE A 113 -4.260 -0.828 0.863 1.00 0.29 C ATOM 1811 CG1 ILE A 113 -5.610 -0.111 0.880 1.00 0.31 C ATOM 1812 CG2 ILE A 113 -4.366 -2.219 1.484 1.00 0.30 C ATOM 1813 CD1 ILE A 113 -6.804 -1.029 0.739 1.00 0.45 C ATOM 0 H ILE A 113 -1.899 -1.563 1.106 1.00 0.27 H new ATOM 0 HA ILE A 113 -3.076 0.976 1.018 1.00 0.27 H new ATOM 0 HB ILE A 113 -3.957 -0.965 -0.175 1.00 0.29 H new ATOM 0 HG12 ILE A 113 -5.702 0.444 1.813 1.00 0.31 H new ATOM 0 HG13 ILE A 113 -5.631 0.619 0.071 1.00 0.31 H new ATOM 0 HG21 ILE A 113 -5.137 -2.790 0.967 1.00 0.30 H new ATOM 0 HG22 ILE A 113 -3.409 -2.733 1.391 1.00 0.30 H new ATOM 0 HG23 ILE A 113 -4.627 -2.128 2.538 1.00 0.30 H new ATOM 0 HD11 ILE A 113 -7.721 -0.440 0.761 1.00 0.45 H new ATOM 0 HD12 ILE A 113 -6.740 -1.566 -0.207 1.00 0.45 H new ATOM 0 HD13 ILE A 113 -6.813 -1.744 1.562 1.00 0.45 H new ATOM 1825 N GLU A 114 -3.039 -0.326 3.980 1.00 0.32 N ATOM 1826 CA GLU A 114 -3.325 -0.054 5.393 1.00 0.39 C ATOM 1827 C GLU A 114 -2.855 1.351 5.791 1.00 0.38 C ATOM 1828 O GLU A 114 -3.525 2.052 6.552 1.00 0.46 O ATOM 1829 CB GLU A 114 -2.653 -1.116 6.281 1.00 0.47 C ATOM 1830 CG GLU A 114 -2.705 -0.817 7.778 1.00 0.73 C ATOM 1831 CD GLU A 114 -4.090 -0.960 8.383 1.00 1.58 C ATOM 1832 OE1 GLU A 114 -4.960 -0.106 8.111 1.00 2.32 O ATOM 1833 OE2 GLU A 114 -4.302 -1.914 9.163 1.00 1.86 O ATOM 0 H GLU A 114 -2.390 -1.098 3.824 1.00 0.32 H new ATOM 0 HA GLU A 114 -4.404 -0.100 5.539 1.00 0.39 H new ATOM 0 HB2 GLU A 114 -3.131 -2.078 6.099 1.00 0.47 H new ATOM 0 HB3 GLU A 114 -1.610 -1.216 5.980 1.00 0.47 H new ATOM 0 HG2 GLU A 114 -2.021 -1.488 8.297 1.00 0.73 H new ATOM 0 HG3 GLU A 114 -2.347 0.198 7.949 1.00 0.73 H new ATOM 1840 N LEU A 115 -1.723 1.778 5.244 1.00 0.32 N ATOM 1841 CA LEU A 115 -1.123 3.054 5.624 1.00 0.33 C ATOM 1842 C LEU A 115 -1.573 4.174 4.690 1.00 0.32 C ATOM 1843 O LEU A 115 -0.930 5.223 4.592 1.00 0.33 O ATOM 1844 CB LEU A 115 0.405 2.940 5.614 1.00 0.41 C ATOM 1845 CG LEU A 115 0.982 1.865 6.538 1.00 0.51 C ATOM 1846 CD1 LEU A 115 2.494 1.801 6.404 1.00 0.62 C ATOM 1847 CD2 LEU A 115 0.586 2.130 7.983 1.00 0.58 C ATOM 0 H LEU A 115 -1.201 1.261 4.536 1.00 0.32 H new ATOM 0 HA LEU A 115 -1.457 3.300 6.632 1.00 0.33 H new ATOM 0 HB2 LEU A 115 0.732 2.734 4.595 1.00 0.41 H new ATOM 0 HB3 LEU A 115 0.828 3.904 5.896 1.00 0.41 H new ATOM 0 HG LEU A 115 0.569 0.901 6.240 1.00 0.51 H new ATOM 0 HD11 LEU A 115 2.886 1.031 7.069 1.00 0.62 H new ATOM 0 HD12 LEU A 115 2.758 1.560 5.374 1.00 0.62 H new ATOM 0 HD13 LEU A 115 2.924 2.766 6.673 1.00 0.62 H new ATOM 0 HD21 LEU A 115 1.006 1.355 8.623 1.00 0.58 H new ATOM 0 HD22 LEU A 115 0.968 3.103 8.292 1.00 0.58 H new ATOM 0 HD23 LEU A 115 -0.501 2.123 8.070 1.00 0.58 H new ATOM 1859 N CYS A 116 -2.691 3.955 4.018 1.00 0.37 N ATOM 1860 CA CYS A 116 -3.189 4.913 3.051 1.00 0.39 C ATOM 1861 C CYS A 116 -4.495 5.541 3.522 1.00 0.34 C ATOM 1862 O CYS A 116 -5.406 4.845 3.972 1.00 0.38 O ATOM 1863 CB CYS A 116 -3.409 4.229 1.703 1.00 0.48 C ATOM 1864 SG CYS A 116 -1.960 3.352 1.077 1.00 0.86 S ATOM 0 H CYS A 116 -3.269 3.122 4.126 1.00 0.37 H new ATOM 0 HA CYS A 116 -2.444 5.702 2.945 1.00 0.39 H new ATOM 0 HB2 CYS A 116 -4.235 3.524 1.796 1.00 0.48 H new ATOM 0 HB3 CYS A 116 -3.711 4.979 0.972 1.00 0.48 H new ATOM 0 HG CYS A 116 -1.526 2.528 1.984 1.00 0.86 H new ATOM 1870 N SER A 117 -4.571 6.858 3.440 1.00 0.32 N ATOM 1871 CA SER A 117 -5.815 7.564 3.682 1.00 0.29 C ATOM 1872 C SER A 117 -6.341 8.105 2.369 1.00 0.24 C ATOM 1873 O SER A 117 -5.800 9.050 1.806 1.00 0.29 O ATOM 1874 CB SER A 117 -5.589 8.694 4.684 1.00 0.35 C ATOM 1875 OG SER A 117 -4.987 8.199 5.869 1.00 0.97 O ATOM 0 H SER A 117 -3.782 7.461 3.207 1.00 0.32 H new ATOM 0 HA SER A 117 -6.552 6.881 4.105 1.00 0.29 H new ATOM 0 HB2 SER A 117 -4.953 9.460 4.239 1.00 0.35 H new ATOM 0 HB3 SER A 117 -6.540 9.170 4.924 1.00 0.35 H new ATOM 0 HG SER A 117 -4.848 8.937 6.498 1.00 0.97 H new ATOM 1881 N ILE A 118 -7.404 7.497 1.896 1.00 0.19 N ATOM 1882 CA ILE A 118 -8.006 7.876 0.645 1.00 0.21 C ATOM 1883 C ILE A 118 -8.961 9.029 0.874 1.00 0.32 C ATOM 1884 O ILE A 118 -9.919 8.918 1.643 1.00 0.38 O ATOM 1885 CB ILE A 118 -8.750 6.686 -0.009 1.00 0.23 C ATOM 1886 CG1 ILE A 118 -9.393 7.115 -1.327 1.00 0.29 C ATOM 1887 CG2 ILE A 118 -9.801 6.106 0.935 1.00 0.28 C ATOM 1888 CD1 ILE A 118 -10.060 5.981 -2.079 1.00 0.35 C ATOM 0 H ILE A 118 -7.874 6.726 2.370 1.00 0.19 H new ATOM 0 HA ILE A 118 -7.215 8.185 -0.038 1.00 0.21 H new ATOM 0 HB ILE A 118 -8.018 5.906 -0.216 1.00 0.23 H new ATOM 0 HG12 ILE A 118 -10.133 7.889 -1.125 1.00 0.29 H new ATOM 0 HG13 ILE A 118 -8.630 7.562 -1.964 1.00 0.29 H new ATOM 0 HG21 ILE A 118 -10.307 5.272 0.448 1.00 0.28 H new ATOM 0 HG22 ILE A 118 -9.317 5.755 1.846 1.00 0.28 H new ATOM 0 HG23 ILE A 118 -10.530 6.877 1.185 1.00 0.28 H new ATOM 0 HD11 ILE A 118 -10.493 6.363 -3.003 1.00 0.35 H new ATOM 0 HD12 ILE A 118 -9.320 5.216 -2.314 1.00 0.35 H new ATOM 0 HD13 ILE A 118 -10.847 5.548 -1.461 1.00 0.35 H new ATOM 1900 N GLU A 119 -8.682 10.154 0.261 1.00 0.45 N ATOM 1901 CA GLU A 119 -9.606 11.252 0.341 1.00 0.61 C ATOM 1902 C GLU A 119 -10.732 11.008 -0.644 1.00 0.83 C ATOM 1903 O GLU A 119 -10.491 10.850 -1.841 1.00 0.96 O ATOM 1904 CB GLU A 119 -8.926 12.583 0.045 1.00 0.82 C ATOM 1905 CG GLU A 119 -8.015 13.075 1.152 1.00 1.47 C ATOM 1906 CD GLU A 119 -7.584 14.510 0.941 1.00 1.78 C ATOM 1907 OE1 GLU A 119 -8.413 15.419 1.168 1.00 2.44 O ATOM 1908 OE2 GLU A 119 -6.428 14.738 0.533 1.00 1.66 O ATOM 0 H GLU A 119 -7.840 10.329 -0.287 1.00 0.45 H new ATOM 0 HA GLU A 119 -9.997 11.310 1.357 1.00 0.61 H new ATOM 0 HB2 GLU A 119 -8.345 12.485 -0.872 1.00 0.82 H new ATOM 0 HB3 GLU A 119 -9.692 13.336 -0.142 1.00 0.82 H new ATOM 0 HG2 GLU A 119 -8.529 12.989 2.109 1.00 1.47 H new ATOM 0 HG3 GLU A 119 -7.133 12.437 1.205 1.00 1.47 H new