USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 879 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 34 THR OG1 : rot 180:sc= 0.817 USER MOD Set 1.2: A 37 GLN : amide:sc= 0.667 K(o=1.5,f=-1!) USER MOD Set 1.3: A 93 LYS NZ :NH3+ 159:sc= 0.05 (180deg=-0.535) USER MOD Set 2.1: A 8 THR OG1 : rot -12:sc= 1.65 USER MOD Set 2.2: A 11 THR OG1 : rot 140:sc= 1.26 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 22 SER OG : rot 130:sc=-0.00822 USER MOD Single : A 25 GLN : amide:sc= -0.72 X(o=-0.72,f=-1.2) USER MOD Single : A 28 SER OG : rot 180:sc=-0.00951 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -170:sc= -0.539 (180deg=-0.832) USER MOD Single : A 36 SER OG : rot 180:sc= 0.00178 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0.292 K(o=0.29,f=-0.56) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.35 K(o=-0.35,f=-3.5!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 61 THR OG1 : rot 180:sc=-0.00494 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0683 X(o=-0.068,f=-0.46) USER MOD Single : A 65 LYS NZ :NH3+ -129:sc= -0.178 (180deg=-1.25) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -3.09! C(o=-3.1!,f=-3.5!) USER MOD Single : A 71 MET CE :methyl -170:sc= -0.0168 (180deg=-0.121) USER MOD Single : A 75 SER OG : rot 68:sc= 0.121 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0.0354 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0685 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0256 USER MOD Single : A 94 THR OG1 : rot -37:sc= 1.28 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -140:sc= 0.0331 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 32:sc= 0.15 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 107 GLN : amide:sc= -0.0145 K(o=-0.015,f=-0.55) USER MOD Single : A 108 THR OG1 : rot -71:sc= 1.25 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc= 0.011 K(o=0.011,f=-1.1) USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 THR OG1 : rot 0:sc= 1.11 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 SER OG : rot 12:sc= 0.084 USER MOD Single : A 126 MET CE :methyl -176:sc= -0.278 (180deg=-0.288) USER MOD Single : A 129 GLN : amide:sc= 0.756 K(o=0.76,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 13.046 2.821 4.968 1.00 31.33 N ATOM 83 CA THR A 8 11.682 2.821 4.455 1.00 42.14 C ATOM 84 C THR A 8 11.491 1.540 3.649 1.00 30.31 C ATOM 85 O THR A 8 12.445 1.093 3.001 1.00 0.52 O ATOM 86 CB THR A 8 11.411 4.053 3.563 1.00 33.21 C ATOM 87 OG1 THR A 8 12.605 4.721 3.200 1.00 55.20 O ATOM 88 CG2 THR A 8 10.475 5.051 4.228 1.00 52.50 C ATOM 0 HA THR A 8 10.980 2.868 5.288 1.00 42.14 H new ATOM 0 HB THR A 8 10.933 3.662 2.665 1.00 33.21 H new ATOM 0 HG1 THR A 8 13.346 4.388 3.748 1.00 55.20 H new ATOM 0 HG21 THR A 8 10.315 5.899 3.562 1.00 52.50 H new ATOM 0 HG22 THR A 8 9.520 4.570 4.438 1.00 52.50 H new ATOM 0 HG23 THR A 8 10.918 5.400 5.160 1.00 52.50 H new ATOM 96 N PRO A 9 10.279 0.966 3.631 1.00 72.05 N ATOM 97 CA PRO A 9 10.018 -0.252 2.883 1.00 52.44 C ATOM 98 C PRO A 9 10.150 -0.012 1.380 1.00 44.20 C ATOM 99 O PRO A 9 10.705 -0.845 0.674 1.00 35.42 O ATOM 100 CB PRO A 9 8.613 -0.691 3.295 1.00 43.03 C ATOM 101 CG PRO A 9 7.942 0.599 3.763 1.00 21.45 C ATOM 102 CD PRO A 9 9.090 1.408 4.345 1.00 25.15 C ATOM 0 HA PRO A 9 10.742 -1.037 3.104 1.00 52.44 H new ATOM 0 HB2 PRO A 9 8.075 -1.140 2.460 1.00 43.03 H new ATOM 0 HB3 PRO A 9 8.645 -1.435 4.091 1.00 43.03 H new ATOM 0 HG2 PRO A 9 7.460 1.123 2.937 1.00 21.45 H new ATOM 0 HG3 PRO A 9 7.171 0.403 4.509 1.00 21.45 H new ATOM 0 HD2 PRO A 9 8.925 2.477 4.209 1.00 25.15 H new ATOM 0 HD3 PRO A 9 9.189 1.235 5.417 1.00 25.15 H new ATOM 110 N TRP A 10 9.715 1.155 0.903 1.00 21.42 N ATOM 111 CA TRP A 10 9.769 1.528 -0.501 1.00 4.11 C ATOM 112 C TRP A 10 11.195 1.797 -1.005 1.00 12.44 C ATOM 113 O TRP A 10 11.397 1.901 -2.215 1.00 61.11 O ATOM 114 CB TRP A 10 8.859 2.743 -0.691 1.00 51.23 C ATOM 115 CG TRP A 10 7.433 2.504 -0.285 1.00 60.11 C ATOM 116 CD1 TRP A 10 6.819 2.958 0.834 1.00 11.23 C ATOM 117 CD2 TRP A 10 6.461 1.644 -0.944 1.00 11.20 C ATOM 118 NE1 TRP A 10 5.533 2.452 0.891 1.00 65.32 N ATOM 119 CE2 TRP A 10 5.283 1.586 -0.149 1.00 62.42 C ATOM 120 CE3 TRP A 10 6.487 0.855 -2.108 1.00 64.43 C ATOM 121 CZ2 TRP A 10 4.211 0.741 -0.471 1.00 13.34 C ATOM 122 CZ3 TRP A 10 5.428 -0.013 -2.431 1.00 41.22 C ATOM 123 CH2 TRP A 10 4.287 -0.072 -1.614 1.00 33.30 C ATOM 0 H TRP A 10 9.309 1.877 1.497 1.00 21.42 H new ATOM 0 HA TRP A 10 9.421 0.690 -1.105 1.00 4.11 H new ATOM 0 HB2 TRP A 10 9.257 3.577 -0.112 1.00 51.23 H new ATOM 0 HB3 TRP A 10 8.883 3.042 -1.739 1.00 51.23 H new ATOM 0 HD1 TRP A 10 7.265 3.613 1.568 1.00 11.23 H new ATOM 0 HE1 TRP A 10 4.854 2.691 1.614 1.00 65.32 H new ATOM 0 HE3 TRP A 10 7.339 0.917 -2.769 1.00 64.43 H new ATOM 0 HZ2 TRP A 10 3.332 0.716 0.156 1.00 13.34 H new ATOM 0 HZ3 TRP A 10 5.493 -0.636 -3.311 1.00 41.22 H new ATOM 0 HH2 TRP A 10 3.474 -0.738 -1.863 1.00 33.30 H new ATOM 134 N THR A 11 12.179 1.934 -0.108 1.00 40.31 N ATOM 135 CA THR A 11 13.566 2.182 -0.500 1.00 32.30 C ATOM 136 C THR A 11 14.310 0.872 -0.831 1.00 23.41 C ATOM 137 O THR A 11 15.298 0.923 -1.576 1.00 32.51 O ATOM 138 CB THR A 11 14.263 2.984 0.620 1.00 34.21 C ATOM 139 OG1 THR A 11 13.602 4.225 0.793 1.00 72.40 O ATOM 140 CG2 THR A 11 15.717 3.357 0.329 1.00 63.51 C ATOM 0 H THR A 11 12.036 1.876 0.900 1.00 40.31 H new ATOM 0 HA THR A 11 13.583 2.770 -1.417 1.00 32.30 H new ATOM 0 HB THR A 11 14.227 2.327 1.489 1.00 34.21 H new ATOM 0 HG1 THR A 11 13.546 4.435 1.749 1.00 72.40 H new ATOM 0 HG21 THR A 11 16.124 3.918 1.170 1.00 63.51 H new ATOM 0 HG22 THR A 11 16.303 2.450 0.180 1.00 63.51 H new ATOM 0 HG23 THR A 11 15.762 3.970 -0.571 1.00 63.51 H new ATOM 148 N ASN A 12 13.860 -0.293 -0.336 1.00 5.40 N ATOM 149 CA ASN A 12 14.522 -1.578 -0.578 1.00 44.44 C ATOM 150 C ASN A 12 13.531 -2.560 -1.200 1.00 33.53 C ATOM 151 O ASN A 12 12.453 -2.755 -0.639 1.00 41.43 O ATOM 152 CB ASN A 12 15.064 -2.178 0.727 1.00 24.11 C ATOM 153 CG ASN A 12 16.174 -1.386 1.413 1.00 41.34 C ATOM 154 OD1 ASN A 12 16.722 -0.414 0.895 1.00 3.30 O ATOM 155 ND2 ASN A 12 16.514 -1.792 2.619 1.00 15.11 N ATOM 0 H ASN A 12 13.024 -0.366 0.244 1.00 5.40 H new ATOM 0 HA ASN A 12 15.357 -1.403 -1.257 1.00 44.44 H new ATOM 0 HB2 ASN A 12 14.235 -2.286 1.427 1.00 24.11 H new ATOM 0 HB3 ASN A 12 15.436 -3.181 0.517 1.00 24.11 H new ATOM 0 HD21 ASN A 12 17.241 -1.299 3.137 1.00 15.11 H new ATOM 0 HD22 ASN A 12 16.050 -2.600 3.035 1.00 15.11 H new ATOM 162 N PRO A 13 13.868 -3.238 -2.309 1.00 53.30 N ATOM 163 CA PRO A 13 12.955 -4.174 -2.957 1.00 2.20 C ATOM 164 C PRO A 13 12.738 -5.413 -2.087 1.00 72.11 C ATOM 165 O PRO A 13 11.649 -5.987 -2.094 1.00 22.02 O ATOM 166 CB PRO A 13 13.576 -4.468 -4.324 1.00 23.04 C ATOM 167 CG PRO A 13 15.067 -4.255 -4.079 1.00 73.23 C ATOM 168 CD PRO A 13 15.107 -3.127 -3.053 1.00 72.02 C ATOM 0 HA PRO A 13 11.953 -3.767 -3.092 1.00 2.20 H new ATOM 0 HB2 PRO A 13 13.363 -5.485 -4.653 1.00 23.04 H new ATOM 0 HB3 PRO A 13 13.194 -3.797 -5.093 1.00 23.04 H new ATOM 0 HG2 PRO A 13 15.544 -5.159 -3.699 1.00 73.23 H new ATOM 0 HG3 PRO A 13 15.588 -3.981 -4.996 1.00 73.23 H new ATOM 0 HD2 PRO A 13 15.970 -3.225 -2.395 1.00 72.02 H new ATOM 0 HD3 PRO A 13 15.187 -2.155 -3.541 1.00 72.02 H new ATOM 176 N GLY A 14 13.744 -5.808 -1.300 1.00 73.15 N ATOM 177 CA GLY A 14 13.634 -6.953 -0.414 1.00 2.23 C ATOM 178 C GLY A 14 12.625 -6.666 0.693 1.00 64.51 C ATOM 179 O GLY A 14 11.972 -7.584 1.186 1.00 33.21 O ATOM 0 H GLY A 14 14.650 -5.340 -1.265 1.00 73.15 H new ATOM 0 HA2 GLY A 14 13.324 -7.832 -0.980 1.00 2.23 H new ATOM 0 HA3 GLY A 14 14.607 -7.181 0.021 1.00 2.23 H new ATOM 183 N LEU A 15 12.521 -5.408 1.138 1.00 45.33 N ATOM 184 CA LEU A 15 11.570 -5.047 2.176 1.00 54.43 C ATOM 185 C LEU A 15 10.189 -4.996 1.544 1.00 14.02 C ATOM 186 O LEU A 15 9.259 -5.573 2.099 1.00 3.32 O ATOM 187 CB LEU A 15 11.922 -3.702 2.832 1.00 1.21 C ATOM 188 CG LEU A 15 11.449 -3.577 4.295 1.00 1.45 C ATOM 189 CD1 LEU A 15 9.984 -3.940 4.558 1.00 53.23 C ATOM 190 CD2 LEU A 15 12.329 -4.438 5.199 1.00 24.15 C ATOM 0 H LEU A 15 13.085 -4.631 0.792 1.00 45.33 H new ATOM 0 HA LEU A 15 11.599 -5.793 2.971 1.00 54.43 H new ATOM 0 HB2 LEU A 15 13.003 -3.564 2.797 1.00 1.21 H new ATOM 0 HB3 LEU A 15 11.478 -2.896 2.247 1.00 1.21 H new ATOM 0 HG LEU A 15 11.538 -2.514 4.518 1.00 1.45 H new ATOM 0 HD11 LEU A 15 9.763 -3.815 5.618 1.00 53.23 H new ATOM 0 HD12 LEU A 15 9.337 -3.287 3.973 1.00 53.23 H new ATOM 0 HD13 LEU A 15 9.809 -4.977 4.270 1.00 53.23 H new ATOM 0 HD21 LEU A 15 11.990 -4.346 6.231 1.00 24.15 H new ATOM 0 HD22 LEU A 15 12.262 -5.480 4.887 1.00 24.15 H new ATOM 0 HD23 LEU A 15 13.364 -4.103 5.125 1.00 24.15 H new ATOM 202 N ALA A 16 10.063 -4.347 0.384 1.00 55.22 N ATOM 203 CA ALA A 16 8.800 -4.229 -0.322 1.00 35.35 C ATOM 204 C ALA A 16 8.169 -5.602 -0.546 1.00 74.24 C ATOM 205 O ALA A 16 7.014 -5.778 -0.177 1.00 22.13 O ATOM 206 CB ALA A 16 9.007 -3.478 -1.632 1.00 44.41 C ATOM 0 H ALA A 16 10.842 -3.889 -0.088 1.00 55.22 H new ATOM 0 HA ALA A 16 8.103 -3.656 0.289 1.00 35.35 H new ATOM 0 HB1 ALA A 16 8.055 -3.393 -2.157 1.00 44.41 H new ATOM 0 HB2 ALA A 16 9.396 -2.482 -1.423 1.00 44.41 H new ATOM 0 HB3 ALA A 16 9.717 -4.022 -2.255 1.00 44.41 H new ATOM 212 N GLU A 17 8.918 -6.572 -1.083 1.00 14.14 N ATOM 213 CA GLU A 17 8.412 -7.922 -1.332 1.00 71.32 C ATOM 214 C GLU A 17 7.879 -8.554 -0.031 1.00 51.34 C ATOM 215 O GLU A 17 6.884 -9.281 -0.048 1.00 33.13 O ATOM 216 CB GLU A 17 9.529 -8.756 -1.996 1.00 61.34 C ATOM 217 CG GLU A 17 9.090 -10.197 -2.292 1.00 70.33 C ATOM 218 CD GLU A 17 10.071 -10.987 -3.164 1.00 2.23 C ATOM 219 OE1 GLU A 17 11.079 -11.525 -2.638 1.00 55.01 O ATOM 220 OE2 GLU A 17 9.787 -11.169 -4.373 1.00 70.11 O ATOM 0 H GLU A 17 9.892 -6.441 -1.356 1.00 14.14 H new ATOM 0 HA GLU A 17 7.564 -7.890 -2.016 1.00 71.32 H new ATOM 0 HB2 GLU A 17 9.834 -8.274 -2.925 1.00 61.34 H new ATOM 0 HB3 GLU A 17 10.402 -8.772 -1.344 1.00 61.34 H new ATOM 0 HG2 GLU A 17 8.955 -10.725 -1.348 1.00 70.33 H new ATOM 0 HG3 GLU A 17 8.119 -10.175 -2.787 1.00 70.33 H new ATOM 227 N ASN A 18 8.525 -8.286 1.108 1.00 61.41 N ATOM 228 CA ASN A 18 8.105 -8.818 2.403 1.00 74.44 C ATOM 229 C ASN A 18 6.825 -8.141 2.872 1.00 52.41 C ATOM 230 O ASN A 18 5.873 -8.816 3.253 1.00 1.25 O ATOM 231 CB ASN A 18 9.196 -8.633 3.470 1.00 12.25 C ATOM 232 CG ASN A 18 9.698 -9.983 3.940 1.00 12.45 C ATOM 233 OD1 ASN A 18 10.780 -10.415 3.548 1.00 0.01 O ATOM 234 ND2 ASN A 18 8.951 -10.699 4.755 1.00 53.10 N ATOM 0 H ASN A 18 9.354 -7.694 1.156 1.00 61.41 H new ATOM 0 HA ASN A 18 7.926 -9.885 2.269 1.00 74.44 H new ATOM 0 HB2 ASN A 18 10.022 -8.052 3.060 1.00 12.25 H new ATOM 0 HB3 ASN A 18 8.798 -8.070 4.314 1.00 12.25 H new ATOM 0 HD21 ASN A 18 9.269 -11.617 5.064 1.00 53.10 H new ATOM 0 HD22 ASN A 18 8.054 -10.335 5.077 1.00 53.10 H new ATOM 241 N PHE A 19 6.825 -6.807 2.886 1.00 33.23 N ATOM 242 CA PHE A 19 5.711 -5.970 3.304 1.00 1.33 C ATOM 243 C PHE A 19 4.457 -6.301 2.503 1.00 14.33 C ATOM 244 O PHE A 19 3.397 -6.526 3.089 1.00 0.10 O ATOM 245 CB PHE A 19 6.102 -4.492 3.142 1.00 13.10 C ATOM 246 CG PHE A 19 4.910 -3.560 3.197 1.00 52.41 C ATOM 247 CD1 PHE A 19 4.312 -3.116 1.999 1.00 30.45 C ATOM 248 CD2 PHE A 19 4.352 -3.200 4.438 1.00 3.41 C ATOM 249 CE1 PHE A 19 3.148 -2.331 2.046 1.00 44.10 C ATOM 250 CE2 PHE A 19 3.201 -2.396 4.483 1.00 42.21 C ATOM 251 CZ PHE A 19 2.599 -1.966 3.288 1.00 63.52 C ATOM 0 H PHE A 19 7.637 -6.263 2.594 1.00 33.23 H new ATOM 0 HA PHE A 19 5.485 -6.163 4.353 1.00 1.33 H new ATOM 0 HB2 PHE A 19 6.807 -4.219 3.927 1.00 13.10 H new ATOM 0 HB3 PHE A 19 6.617 -4.359 2.191 1.00 13.10 H new ATOM 0 HD1 PHE A 19 4.749 -3.379 1.047 1.00 30.45 H new ATOM 0 HD2 PHE A 19 4.809 -3.542 5.355 1.00 3.41 H new ATOM 0 HE1 PHE A 19 2.676 -2.008 1.130 1.00 44.10 H new ATOM 0 HE2 PHE A 19 2.779 -2.109 5.435 1.00 42.21 H new ATOM 0 HZ PHE A 19 1.711 -1.353 3.324 1.00 63.52 H new ATOM 261 N LEU A 20 4.580 -6.323 1.175 1.00 70.42 N ATOM 262 CA LEU A 20 3.487 -6.615 0.264 1.00 64.34 C ATOM 263 C LEU A 20 2.903 -7.975 0.631 1.00 54.33 C ATOM 264 O LEU A 20 1.692 -8.064 0.806 1.00 25.21 O ATOM 265 CB LEU A 20 3.973 -6.552 -1.193 1.00 72.11 C ATOM 266 CG LEU A 20 4.313 -5.123 -1.677 1.00 52.24 C ATOM 267 CD1 LEU A 20 5.210 -5.161 -2.916 1.00 5.31 C ATOM 268 CD2 LEU A 20 3.069 -4.289 -2.000 1.00 34.11 C ATOM 0 H LEU A 20 5.462 -6.134 0.699 1.00 70.42 H new ATOM 0 HA LEU A 20 2.699 -5.868 0.356 1.00 64.34 H new ATOM 0 HB2 LEU A 20 4.857 -7.181 -1.299 1.00 72.11 H new ATOM 0 HB3 LEU A 20 3.204 -6.972 -1.841 1.00 72.11 H new ATOM 0 HG LEU A 20 4.836 -4.648 -0.847 1.00 52.24 H new ATOM 0 HD11 LEU A 20 5.433 -4.143 -3.235 1.00 5.31 H new ATOM 0 HD12 LEU A 20 6.139 -5.678 -2.677 1.00 5.31 H new ATOM 0 HD13 LEU A 20 4.697 -5.689 -3.720 1.00 5.31 H new ATOM 0 HD21 LEU A 20 3.373 -3.297 -2.334 1.00 34.11 H new ATOM 0 HD22 LEU A 20 2.498 -4.778 -2.789 1.00 34.11 H new ATOM 0 HD23 LEU A 20 2.450 -4.198 -1.107 1.00 34.11 H new ATOM 280 N ASN A 21 3.729 -9.011 0.813 1.00 73.51 N ATOM 281 CA ASN A 21 3.242 -10.341 1.186 1.00 73.14 C ATOM 282 C ASN A 21 2.500 -10.300 2.523 1.00 2.41 C ATOM 283 O ASN A 21 1.396 -10.829 2.623 1.00 12.21 O ATOM 284 CB ASN A 21 4.401 -11.341 1.255 1.00 31.22 C ATOM 285 CG ASN A 21 3.930 -12.729 1.677 1.00 32.25 C ATOM 286 OD1 ASN A 21 3.619 -13.575 0.841 1.00 2.12 O ATOM 287 ND2 ASN A 21 3.873 -13.042 2.962 1.00 40.24 N ATOM 0 H ASN A 21 4.742 -8.952 0.707 1.00 73.51 H new ATOM 0 HA ASN A 21 2.543 -10.668 0.416 1.00 73.14 H new ATOM 0 HB2 ASN A 21 4.886 -11.403 0.281 1.00 31.22 H new ATOM 0 HB3 ASN A 21 5.149 -10.981 1.961 1.00 31.22 H new ATOM 0 HD21 ASN A 21 3.574 -13.975 3.247 1.00 40.24 H new ATOM 0 HD22 ASN A 21 4.128 -12.351 3.667 1.00 40.24 H new ATOM 294 N SER A 22 3.097 -9.657 3.531 1.00 42.21 N ATOM 295 CA SER A 22 2.575 -9.507 4.884 1.00 13.23 C ATOM 296 C SER A 22 1.169 -8.900 4.880 1.00 53.43 C ATOM 297 O SER A 22 0.288 -9.315 5.643 1.00 32.00 O ATOM 298 CB SER A 22 3.556 -8.610 5.651 1.00 64.34 C ATOM 299 OG SER A 22 3.482 -8.839 7.030 1.00 10.43 O ATOM 0 H SER A 22 4.004 -9.205 3.415 1.00 42.21 H new ATOM 0 HA SER A 22 2.487 -10.482 5.363 1.00 13.23 H new ATOM 0 HB2 SER A 22 4.572 -8.797 5.303 1.00 64.34 H new ATOM 0 HB3 SER A 22 3.335 -7.563 5.442 1.00 64.34 H new ATOM 0 HG SER A 22 4.383 -8.982 7.387 1.00 10.43 H new ATOM 305 N PHE A 23 0.967 -7.902 4.024 1.00 72.23 N ATOM 306 CA PHE A 23 -0.283 -7.195 3.845 1.00 63.43 C ATOM 307 C PHE A 23 -1.280 -8.046 3.066 1.00 41.40 C ATOM 308 O PHE A 23 -2.396 -8.249 3.531 1.00 31.31 O ATOM 309 CB PHE A 23 0.024 -5.874 3.130 1.00 10.33 C ATOM 310 CG PHE A 23 -1.184 -5.160 2.567 1.00 62.13 C ATOM 311 CD1 PHE A 23 -1.383 -5.124 1.174 1.00 70.02 C ATOM 312 CD2 PHE A 23 -2.085 -4.500 3.422 1.00 42.43 C ATOM 313 CE1 PHE A 23 -2.473 -4.425 0.633 1.00 35.01 C ATOM 314 CE2 PHE A 23 -3.171 -3.790 2.879 1.00 3.40 C ATOM 315 CZ PHE A 23 -3.366 -3.755 1.485 1.00 3.42 C ATOM 0 H PHE A 23 1.706 -7.554 3.413 1.00 72.23 H new ATOM 0 HA PHE A 23 -0.746 -6.986 4.809 1.00 63.43 H new ATOM 0 HB2 PHE A 23 0.529 -5.208 3.830 1.00 10.33 H new ATOM 0 HB3 PHE A 23 0.723 -6.071 2.317 1.00 10.33 H new ATOM 0 HD1 PHE A 23 -0.694 -5.636 0.519 1.00 70.02 H new ATOM 0 HD2 PHE A 23 -1.943 -4.538 4.492 1.00 42.43 H new ATOM 0 HE1 PHE A 23 -2.625 -4.402 -0.436 1.00 35.01 H new ATOM 0 HE2 PHE A 23 -3.856 -3.271 3.532 1.00 3.40 H new ATOM 0 HZ PHE A 23 -4.203 -3.213 1.071 1.00 3.42 H new ATOM 325 N LEU A 24 -0.891 -8.543 1.893 1.00 60.33 N ATOM 326 CA LEU A 24 -1.724 -9.345 0.999 1.00 74.33 C ATOM 327 C LEU A 24 -2.288 -10.590 1.663 1.00 20.50 C ATOM 328 O LEU A 24 -3.496 -10.829 1.567 1.00 64.14 O ATOM 329 CB LEU A 24 -0.942 -9.735 -0.263 1.00 65.15 C ATOM 330 CG LEU A 24 -0.673 -8.557 -1.217 1.00 40.24 C ATOM 331 CD1 LEU A 24 0.393 -8.952 -2.240 1.00 61.14 C ATOM 332 CD2 LEU A 24 -1.929 -8.072 -1.952 1.00 32.05 C ATOM 0 H LEU A 24 0.049 -8.392 1.526 1.00 60.33 H new ATOM 0 HA LEU A 24 -2.572 -8.717 0.728 1.00 74.33 H new ATOM 0 HB2 LEU A 24 0.010 -10.175 0.033 1.00 65.15 H new ATOM 0 HB3 LEU A 24 -1.497 -10.505 -0.799 1.00 65.15 H new ATOM 0 HG LEU A 24 -0.326 -7.729 -0.599 1.00 40.24 H new ATOM 0 HD11 LEU A 24 0.580 -8.115 -2.913 1.00 61.14 H new ATOM 0 HD12 LEU A 24 1.315 -9.214 -1.722 1.00 61.14 H new ATOM 0 HD13 LEU A 24 0.045 -9.809 -2.816 1.00 61.14 H new ATOM 0 HD21 LEU A 24 -1.669 -7.241 -2.607 1.00 32.05 H new ATOM 0 HD22 LEU A 24 -2.341 -8.888 -2.546 1.00 32.05 H new ATOM 0 HD23 LEU A 24 -2.671 -7.742 -1.225 1.00 32.05 H new ATOM 344 N GLN A 25 -1.449 -11.380 2.336 1.00 63.23 N ATOM 345 CA GLN A 25 -1.878 -12.607 3.011 1.00 42.04 C ATOM 346 C GLN A 25 -2.977 -12.303 4.010 1.00 33.34 C ATOM 347 O GLN A 25 -3.979 -13.009 4.131 1.00 43.21 O ATOM 348 CB GLN A 25 -0.666 -13.286 3.674 1.00 43.40 C ATOM 349 CG GLN A 25 -0.013 -12.715 4.948 1.00 41.34 C ATOM 350 CD GLN A 25 -0.781 -12.956 6.246 1.00 12.24 C ATOM 351 OE1 GLN A 25 -1.423 -13.989 6.439 1.00 4.22 O ATOM 352 NE2 GLN A 25 -0.775 -11.989 7.145 1.00 42.42 N ATOM 0 H GLN A 25 -0.452 -11.187 2.429 1.00 63.23 H new ATOM 0 HA GLN A 25 -2.291 -13.302 2.280 1.00 42.04 H new ATOM 0 HB2 GLN A 25 -0.964 -14.309 3.903 1.00 43.40 H new ATOM 0 HB3 GLN A 25 0.116 -13.344 2.917 1.00 43.40 H new ATOM 0 HG2 GLN A 25 0.982 -13.147 5.050 1.00 41.34 H new ATOM 0 HG3 GLN A 25 0.118 -11.641 4.818 1.00 41.34 H new ATOM 0 HE21 GLN A 25 -0.240 -11.138 6.975 1.00 42.42 H new ATOM 0 HE22 GLN A 25 -1.306 -12.093 8.010 1.00 42.42 H new ATOM 361 N GLY A 26 -2.773 -11.205 4.720 1.00 35.13 N ATOM 362 CA GLY A 26 -3.652 -10.715 5.732 1.00 33.23 C ATOM 363 C GLY A 26 -4.957 -10.194 5.135 1.00 13.25 C ATOM 364 O GLY A 26 -6.042 -10.476 5.649 1.00 22.24 O ATOM 0 H GLY A 26 -1.950 -10.616 4.590 1.00 35.13 H new ATOM 0 HA2 GLY A 26 -3.869 -11.511 6.444 1.00 33.23 H new ATOM 0 HA3 GLY A 26 -3.160 -9.916 6.287 1.00 33.23 H new ATOM 368 N LEU A 27 -4.866 -9.444 4.038 1.00 62.00 N ATOM 369 CA LEU A 27 -5.992 -8.855 3.333 1.00 3.23 C ATOM 370 C LEU A 27 -6.924 -9.931 2.775 1.00 14.51 C ATOM 371 O LEU A 27 -8.125 -9.687 2.740 1.00 25.33 O ATOM 372 CB LEU A 27 -5.464 -7.979 2.191 1.00 23.40 C ATOM 373 CG LEU A 27 -6.488 -6.997 1.600 1.00 74.42 C ATOM 374 CD1 LEU A 27 -6.422 -5.665 2.352 1.00 41.51 C ATOM 375 CD2 LEU A 27 -6.181 -6.778 0.117 1.00 63.10 C ATOM 0 H LEU A 27 -3.970 -9.224 3.603 1.00 62.00 H new ATOM 0 HA LEU A 27 -6.565 -8.250 4.036 1.00 3.23 H new ATOM 0 HB2 LEU A 27 -4.607 -7.412 2.554 1.00 23.40 H new ATOM 0 HB3 LEU A 27 -5.102 -8.627 1.393 1.00 23.40 H new ATOM 0 HG LEU A 27 -7.492 -7.410 1.703 1.00 74.42 H new ATOM 0 HD11 LEU A 27 -7.150 -4.972 1.929 1.00 41.51 H new ATOM 0 HD12 LEU A 27 -6.648 -5.830 3.405 1.00 41.51 H new ATOM 0 HD13 LEU A 27 -5.422 -5.243 2.257 1.00 41.51 H new ATOM 0 HD21 LEU A 27 -6.906 -6.082 -0.306 1.00 63.10 H new ATOM 0 HD22 LEU A 27 -5.177 -6.367 0.010 1.00 63.10 H new ATOM 0 HD23 LEU A 27 -6.241 -7.729 -0.411 1.00 63.10 H new ATOM 387 N SER A 28 -6.406 -11.101 2.380 1.00 1.52 N ATOM 388 CA SER A 28 -7.210 -12.195 1.830 1.00 3.11 C ATOM 389 C SER A 28 -8.247 -12.695 2.843 1.00 34.41 C ATOM 390 O SER A 28 -9.352 -13.110 2.472 1.00 1.23 O ATOM 391 CB SER A 28 -6.283 -13.332 1.361 1.00 74.20 C ATOM 392 OG SER A 28 -6.697 -13.841 0.106 1.00 75.24 O ATOM 0 H SER A 28 -5.410 -11.315 2.434 1.00 1.52 H new ATOM 0 HA SER A 28 -7.767 -11.822 0.971 1.00 3.11 H new ATOM 0 HB2 SER A 28 -5.259 -12.965 1.288 1.00 74.20 H new ATOM 0 HB3 SER A 28 -6.282 -14.133 2.100 1.00 74.20 H new ATOM 0 HG SER A 28 -6.092 -14.560 -0.171 1.00 75.24 H new ATOM 398 N SER A 29 -7.901 -12.663 4.131 1.00 40.22 N ATOM 399 CA SER A 29 -8.784 -13.081 5.205 1.00 12.11 C ATOM 400 C SER A 29 -9.733 -11.949 5.606 1.00 4.21 C ATOM 401 O SER A 29 -10.785 -12.214 6.192 1.00 72.44 O ATOM 402 CB SER A 29 -7.931 -13.476 6.409 1.00 44.31 C ATOM 403 OG SER A 29 -7.060 -14.539 6.078 1.00 4.42 O ATOM 0 H SER A 29 -6.989 -12.342 4.454 1.00 40.22 H new ATOM 0 HA SER A 29 -9.384 -13.925 4.864 1.00 12.11 H new ATOM 0 HB2 SER A 29 -7.352 -12.617 6.748 1.00 44.31 H new ATOM 0 HB3 SER A 29 -8.576 -13.772 7.236 1.00 44.31 H new ATOM 0 HG SER A 29 -6.521 -14.776 6.861 1.00 4.42 H new ATOM 409 N MET A 30 -9.359 -10.690 5.376 1.00 43.44 N ATOM 410 CA MET A 30 -10.176 -9.536 5.728 1.00 10.21 C ATOM 411 C MET A 30 -11.388 -9.431 4.797 1.00 55.12 C ATOM 412 O MET A 30 -11.331 -9.883 3.656 1.00 44.24 O ATOM 413 CB MET A 30 -9.314 -8.269 5.672 1.00 73.12 C ATOM 414 CG MET A 30 -8.344 -8.225 6.849 1.00 42.42 C ATOM 415 SD MET A 30 -9.107 -7.858 8.445 1.00 32.12 S ATOM 416 CE MET A 30 -9.318 -6.072 8.262 1.00 11.11 C ATOM 0 H MET A 30 -8.472 -10.444 4.936 1.00 43.44 H new ATOM 0 HA MET A 30 -10.556 -9.654 6.743 1.00 10.21 H new ATOM 0 HB2 MET A 30 -8.758 -8.242 4.735 1.00 73.12 H new ATOM 0 HB3 MET A 30 -9.954 -7.387 5.688 1.00 73.12 H new ATOM 0 HG2 MET A 30 -7.834 -9.186 6.918 1.00 42.42 H new ATOM 0 HG3 MET A 30 -7.581 -7.474 6.645 1.00 42.42 H new ATOM 0 HE1 MET A 30 -9.613 -5.641 9.219 1.00 11.11 H new ATOM 0 HE2 MET A 30 -8.378 -5.626 7.937 1.00 11.11 H new ATOM 0 HE3 MET A 30 -10.091 -5.871 7.520 1.00 11.11 H new ATOM 426 N PRO A 31 -12.474 -8.777 5.238 1.00 61.31 N ATOM 427 CA PRO A 31 -13.695 -8.624 4.453 1.00 65.23 C ATOM 428 C PRO A 31 -13.635 -7.481 3.431 1.00 45.43 C ATOM 429 O PRO A 31 -14.658 -7.076 2.882 1.00 34.31 O ATOM 430 CB PRO A 31 -14.773 -8.402 5.503 1.00 45.14 C ATOM 431 CG PRO A 31 -14.044 -7.570 6.545 1.00 1.34 C ATOM 432 CD PRO A 31 -12.655 -8.199 6.561 1.00 1.33 C ATOM 0 HA PRO A 31 -13.881 -9.498 3.828 1.00 65.23 H new ATOM 0 HB2 PRO A 31 -15.636 -7.877 5.095 1.00 45.14 H new ATOM 0 HB3 PRO A 31 -15.138 -9.342 5.916 1.00 45.14 H new ATOM 0 HG2 PRO A 31 -14.008 -6.516 6.270 1.00 1.34 H new ATOM 0 HG3 PRO A 31 -14.527 -7.628 7.521 1.00 1.34 H new ATOM 0 HD2 PRO A 31 -11.889 -7.453 6.771 1.00 1.33 H new ATOM 0 HD3 PRO A 31 -12.579 -8.962 7.336 1.00 1.33 H new ATOM 440 N GLY A 32 -12.466 -6.881 3.235 1.00 63.33 N ATOM 441 CA GLY A 32 -12.291 -5.802 2.279 1.00 40.10 C ATOM 442 C GLY A 32 -12.396 -6.398 0.894 1.00 43.21 C ATOM 443 O GLY A 32 -13.432 -6.266 0.245 1.00 43.00 O ATOM 0 H GLY A 32 -11.614 -7.132 3.737 1.00 63.33 H new ATOM 0 HA2 GLY A 32 -13.051 -5.034 2.424 1.00 40.10 H new ATOM 0 HA3 GLY A 32 -11.322 -5.321 2.417 1.00 40.10 H new ATOM 447 N PHE A 33 -11.296 -7.008 0.452 1.00 73.12 N ATOM 448 CA PHE A 33 -11.189 -7.667 -0.837 1.00 45.31 C ATOM 449 C PHE A 33 -11.601 -9.138 -0.663 1.00 0.02 C ATOM 450 O PHE A 33 -12.156 -9.535 0.368 1.00 64.21 O ATOM 451 CB PHE A 33 -9.746 -7.493 -1.358 1.00 64.33 C ATOM 452 CG PHE A 33 -9.398 -6.049 -1.693 1.00 13.11 C ATOM 453 CD1 PHE A 33 -9.251 -5.108 -0.659 1.00 20.32 C ATOM 454 CD2 PHE A 33 -9.269 -5.616 -3.029 1.00 24.41 C ATOM 455 CE1 PHE A 33 -9.037 -3.761 -0.959 1.00 5.14 C ATOM 456 CE2 PHE A 33 -9.024 -4.264 -3.325 1.00 3.24 C ATOM 457 CZ PHE A 33 -8.921 -3.327 -2.287 1.00 61.31 C ATOM 0 H PHE A 33 -10.436 -7.055 0.999 1.00 73.12 H new ATOM 0 HA PHE A 33 -11.854 -7.229 -1.582 1.00 45.31 H new ATOM 0 HB2 PHE A 33 -9.048 -7.863 -0.607 1.00 64.33 H new ATOM 0 HB3 PHE A 33 -9.611 -8.108 -2.248 1.00 64.33 H new ATOM 0 HD1 PHE A 33 -9.304 -5.428 0.371 1.00 20.32 H new ATOM 0 HD2 PHE A 33 -9.359 -6.331 -3.833 1.00 24.41 H new ATOM 0 HE1 PHE A 33 -8.960 -3.043 -0.156 1.00 5.14 H new ATOM 0 HE2 PHE A 33 -8.915 -3.947 -4.352 1.00 3.24 H new ATOM 0 HZ PHE A 33 -8.754 -2.283 -2.508 1.00 61.31 H new ATOM 467 N THR A 34 -11.419 -9.931 -1.711 1.00 32.41 N ATOM 468 CA THR A 34 -11.701 -11.357 -1.773 1.00 13.30 C ATOM 469 C THR A 34 -10.437 -12.021 -2.320 1.00 31.32 C ATOM 470 O THR A 34 -9.672 -11.363 -3.037 1.00 21.21 O ATOM 471 CB THR A 34 -12.945 -11.643 -2.633 1.00 62.12 C ATOM 472 OG1 THR A 34 -12.771 -11.178 -3.959 1.00 32.32 O ATOM 473 CG2 THR A 34 -14.193 -10.968 -2.052 1.00 52.24 C ATOM 0 H THR A 34 -11.049 -9.574 -2.592 1.00 32.41 H new ATOM 0 HA THR A 34 -11.940 -11.762 -0.790 1.00 13.30 H new ATOM 0 HB THR A 34 -13.078 -12.725 -2.634 1.00 62.12 H new ATOM 0 HG1 THR A 34 -13.576 -11.374 -4.483 1.00 32.32 H new ATOM 0 HG21 THR A 34 -15.054 -11.190 -2.683 1.00 52.24 H new ATOM 0 HG22 THR A 34 -14.375 -11.344 -1.045 1.00 52.24 H new ATOM 0 HG23 THR A 34 -14.039 -9.890 -2.014 1.00 52.24 H new ATOM 481 N ALA A 35 -10.230 -13.317 -2.066 1.00 22.33 N ATOM 482 CA ALA A 35 -9.054 -14.036 -2.549 1.00 73.35 C ATOM 483 C ALA A 35 -8.902 -13.928 -4.082 1.00 34.03 C ATOM 484 O ALA A 35 -7.779 -13.965 -4.591 1.00 24.23 O ATOM 485 CB ALA A 35 -9.084 -15.481 -2.046 1.00 33.44 C ATOM 0 H ALA A 35 -10.872 -13.893 -1.521 1.00 22.33 H new ATOM 0 HA ALA A 35 -8.160 -13.566 -2.139 1.00 73.35 H new ATOM 0 HB1 ALA A 35 -8.204 -16.011 -2.410 1.00 33.44 H new ATOM 0 HB2 ALA A 35 -9.086 -15.487 -0.956 1.00 33.44 H new ATOM 0 HB3 ALA A 35 -9.983 -15.975 -2.413 1.00 33.44 H new ATOM 491 N SER A 36 -10.004 -13.735 -4.814 1.00 62.25 N ATOM 492 CA SER A 36 -10.005 -13.586 -6.267 1.00 10.12 C ATOM 493 C SER A 36 -9.295 -12.286 -6.642 1.00 23.30 C ATOM 494 O SER A 36 -8.505 -12.257 -7.584 1.00 63.32 O ATOM 495 CB SER A 36 -11.436 -13.598 -6.817 1.00 4.22 C ATOM 496 OG SER A 36 -12.188 -14.613 -6.182 1.00 61.23 O ATOM 0 H SER A 36 -10.936 -13.677 -4.403 1.00 62.25 H new ATOM 0 HA SER A 36 -9.473 -14.428 -6.711 1.00 10.12 H new ATOM 0 HB2 SER A 36 -11.906 -12.628 -6.652 1.00 4.22 H new ATOM 0 HB3 SER A 36 -11.419 -13.766 -7.894 1.00 4.22 H new ATOM 0 HG SER A 36 -13.101 -14.614 -6.537 1.00 61.23 H new ATOM 502 N GLN A 37 -9.585 -11.188 -5.932 1.00 63.12 N ATOM 503 CA GLN A 37 -8.932 -9.911 -6.193 1.00 0.12 C ATOM 504 C GLN A 37 -7.463 -10.057 -5.773 1.00 63.43 C ATOM 505 O GLN A 37 -6.585 -9.495 -6.419 1.00 62.44 O ATOM 506 CB GLN A 37 -9.618 -8.772 -5.419 1.00 43.43 C ATOM 507 CG GLN A 37 -10.989 -8.349 -5.974 1.00 52.40 C ATOM 508 CD GLN A 37 -11.804 -7.612 -4.909 1.00 45.41 C ATOM 509 OE1 GLN A 37 -11.896 -6.388 -4.832 1.00 64.51 O ATOM 510 NE2 GLN A 37 -12.392 -8.355 -3.997 1.00 73.31 N ATOM 0 H GLN A 37 -10.268 -11.164 -5.174 1.00 63.12 H new ATOM 0 HA GLN A 37 -9.002 -9.656 -7.250 1.00 0.12 H new ATOM 0 HB2 GLN A 37 -9.741 -9.080 -4.381 1.00 43.43 H new ATOM 0 HB3 GLN A 37 -8.959 -7.904 -5.418 1.00 43.43 H new ATOM 0 HG2 GLN A 37 -10.851 -7.705 -6.843 1.00 52.40 H new ATOM 0 HG3 GLN A 37 -11.536 -9.229 -6.313 1.00 52.40 H new ATOM 0 HE21 GLN A 37 -12.325 -9.372 -4.047 1.00 73.31 H new ATOM 0 HE22 GLN A 37 -12.915 -7.915 -3.240 1.00 73.31 H new ATOM 519 N LEU A 38 -7.169 -10.800 -4.692 1.00 33.11 N ATOM 520 CA LEU A 38 -5.798 -11.004 -4.218 1.00 0.30 C ATOM 521 C LEU A 38 -4.916 -11.666 -5.283 1.00 71.35 C ATOM 522 O LEU A 38 -3.717 -11.385 -5.316 1.00 61.02 O ATOM 523 CB LEU A 38 -5.729 -11.800 -2.900 1.00 51.13 C ATOM 524 CG LEU A 38 -5.875 -11.001 -1.590 1.00 64.52 C ATOM 525 CD1 LEU A 38 -4.891 -9.842 -1.488 1.00 12.42 C ATOM 526 CD2 LEU A 38 -7.290 -10.516 -1.293 1.00 31.22 C ATOM 0 H LEU A 38 -7.875 -11.272 -4.127 1.00 33.11 H new ATOM 0 HA LEU A 38 -5.408 -10.006 -4.017 1.00 0.30 H new ATOM 0 HB2 LEU A 38 -6.510 -12.560 -2.922 1.00 51.13 H new ATOM 0 HB3 LEU A 38 -4.774 -12.325 -2.871 1.00 51.13 H new ATOM 0 HG LEU A 38 -5.630 -11.734 -0.821 1.00 64.52 H new ATOM 0 HD11 LEU A 38 -5.043 -9.318 -0.544 1.00 12.42 H new ATOM 0 HD12 LEU A 38 -3.872 -10.225 -1.530 1.00 12.42 H new ATOM 0 HD13 LEU A 38 -5.054 -9.152 -2.316 1.00 12.42 H new ATOM 0 HD21 LEU A 38 -7.296 -9.964 -0.353 1.00 31.22 H new ATOM 0 HD22 LEU A 38 -7.628 -9.864 -2.098 1.00 31.22 H new ATOM 0 HD23 LEU A 38 -7.959 -11.373 -1.215 1.00 31.22 H new ATOM 538 N ASP A 39 -5.473 -12.511 -6.155 1.00 74.13 N ATOM 539 CA ASP A 39 -4.695 -13.174 -7.203 1.00 10.32 C ATOM 540 C ASP A 39 -4.086 -12.139 -8.150 1.00 65.03 C ATOM 541 O ASP A 39 -2.877 -12.142 -8.386 1.00 72.41 O ATOM 542 CB ASP A 39 -5.562 -14.163 -7.983 1.00 24.25 C ATOM 543 CG ASP A 39 -4.747 -14.830 -9.094 1.00 12.11 C ATOM 544 OD1 ASP A 39 -5.142 -14.727 -10.282 1.00 50.50 O ATOM 545 OD2 ASP A 39 -3.711 -15.451 -8.770 1.00 34.44 O ATOM 0 H ASP A 39 -6.464 -12.752 -6.155 1.00 74.13 H new ATOM 0 HA ASP A 39 -3.888 -13.731 -6.726 1.00 10.32 H new ATOM 0 HB2 ASP A 39 -5.956 -14.922 -7.307 1.00 24.25 H new ATOM 0 HB3 ASP A 39 -6.418 -13.644 -8.414 1.00 24.25 H new ATOM 550 N ASP A 40 -4.908 -11.224 -8.664 1.00 32.01 N ATOM 551 CA ASP A 40 -4.472 -10.163 -9.574 1.00 20.11 C ATOM 552 C ASP A 40 -3.528 -9.198 -8.850 1.00 73.32 C ATOM 553 O ASP A 40 -2.496 -8.804 -9.394 1.00 53.51 O ATOM 554 CB ASP A 40 -5.675 -9.385 -10.128 1.00 31.41 C ATOM 555 CG ASP A 40 -6.448 -10.182 -11.176 1.00 42.15 C ATOM 556 OD1 ASP A 40 -7.227 -11.081 -10.793 1.00 62.04 O ATOM 557 OD2 ASP A 40 -6.327 -9.899 -12.391 1.00 43.11 O ATOM 0 H ASP A 40 -5.907 -11.198 -8.458 1.00 32.01 H new ATOM 0 HA ASP A 40 -3.945 -10.630 -10.406 1.00 20.11 H new ATOM 0 HB2 ASP A 40 -6.344 -9.123 -9.308 1.00 31.41 H new ATOM 0 HB3 ASP A 40 -5.329 -8.450 -10.568 1.00 31.41 H new ATOM 562 N LEU A 41 -3.851 -8.867 -7.594 1.00 64.21 N ATOM 563 CA LEU A 41 -3.074 -7.971 -6.747 1.00 22.33 C ATOM 564 C LEU A 41 -1.619 -8.436 -6.619 1.00 71.13 C ATOM 565 O LEU A 41 -0.756 -7.580 -6.415 1.00 74.43 O ATOM 566 CB LEU A 41 -3.709 -7.849 -5.350 1.00 14.32 C ATOM 567 CG LEU A 41 -4.537 -6.583 -5.057 1.00 41.32 C ATOM 568 CD1 LEU A 41 -3.667 -5.342 -4.925 1.00 74.41 C ATOM 569 CD2 LEU A 41 -5.650 -6.292 -6.070 1.00 41.42 C ATOM 0 H LEU A 41 -4.685 -9.229 -7.131 1.00 64.21 H new ATOM 0 HA LEU A 41 -3.078 -6.992 -7.225 1.00 22.33 H new ATOM 0 HB2 LEU A 41 -4.352 -8.716 -5.195 1.00 14.32 H new ATOM 0 HB3 LEU A 41 -2.910 -7.908 -4.610 1.00 14.32 H new ATOM 0 HG LEU A 41 -5.015 -6.812 -4.104 1.00 41.32 H new ATOM 0 HD11 LEU A 41 -4.297 -4.476 -4.719 1.00 74.41 H new ATOM 0 HD12 LEU A 41 -2.959 -5.479 -4.107 1.00 74.41 H new ATOM 0 HD13 LEU A 41 -3.121 -5.180 -5.854 1.00 74.41 H new ATOM 0 HD21 LEU A 41 -6.177 -5.383 -5.780 1.00 41.42 H new ATOM 0 HD22 LEU A 41 -5.215 -6.159 -7.061 1.00 41.42 H new ATOM 0 HD23 LEU A 41 -6.351 -7.127 -6.090 1.00 41.42 H new ATOM 581 N SER A 42 -1.349 -9.743 -6.698 1.00 74.24 N ATOM 582 CA SER A 42 -0.014 -10.324 -6.614 1.00 34.01 C ATOM 583 C SER A 42 0.883 -9.769 -7.731 1.00 53.43 C ATOM 584 O SER A 42 2.023 -9.377 -7.474 1.00 43.30 O ATOM 585 CB SER A 42 -0.142 -11.851 -6.711 1.00 63.42 C ATOM 586 OG SER A 42 1.083 -12.513 -6.468 1.00 62.51 O ATOM 0 H SER A 42 -2.079 -10.444 -6.826 1.00 74.24 H new ATOM 0 HA SER A 42 0.451 -10.061 -5.664 1.00 34.01 H new ATOM 0 HB2 SER A 42 -0.887 -12.196 -5.994 1.00 63.42 H new ATOM 0 HB3 SER A 42 -0.506 -12.120 -7.703 1.00 63.42 H new ATOM 0 HG SER A 42 0.951 -13.481 -6.539 1.00 62.51 H new ATOM 592 N THR A 43 0.376 -9.713 -8.964 1.00 3.21 N ATOM 593 CA THR A 43 1.106 -9.216 -10.123 1.00 41.51 C ATOM 594 C THR A 43 1.400 -7.728 -9.914 1.00 73.55 C ATOM 595 O THR A 43 2.522 -7.259 -10.109 1.00 23.10 O ATOM 596 CB THR A 43 0.253 -9.483 -11.376 1.00 63.43 C ATOM 597 OG1 THR A 43 -0.188 -10.831 -11.369 1.00 52.44 O ATOM 598 CG2 THR A 43 1.024 -9.221 -12.670 1.00 23.22 C ATOM 0 H THR A 43 -0.572 -10.019 -9.185 1.00 3.21 H new ATOM 0 HA THR A 43 2.062 -9.723 -10.254 1.00 41.51 H new ATOM 0 HB THR A 43 -0.594 -8.797 -11.345 1.00 63.43 H new ATOM 0 HG1 THR A 43 -0.733 -11.001 -12.166 1.00 52.44 H new ATOM 0 HG21 THR A 43 0.379 -9.424 -13.525 1.00 23.22 H new ATOM 0 HG22 THR A 43 1.346 -8.180 -12.697 1.00 23.22 H new ATOM 0 HG23 THR A 43 1.897 -9.872 -12.712 1.00 23.22 H new ATOM 606 N ILE A 44 0.387 -6.978 -9.473 1.00 73.52 N ATOM 607 CA ILE A 44 0.501 -5.551 -9.212 1.00 11.33 C ATOM 608 C ILE A 44 1.540 -5.326 -8.093 1.00 11.20 C ATOM 609 O ILE A 44 2.261 -4.328 -8.098 1.00 64.42 O ATOM 610 CB ILE A 44 -0.891 -4.967 -8.869 1.00 53.21 C ATOM 611 CG1 ILE A 44 -1.983 -5.342 -9.901 1.00 51.10 C ATOM 612 CG2 ILE A 44 -0.815 -3.435 -8.786 1.00 24.41 C ATOM 613 CD1 ILE A 44 -3.387 -4.835 -9.541 1.00 45.42 C ATOM 0 H ILE A 44 -0.543 -7.354 -9.287 1.00 73.52 H new ATOM 0 HA ILE A 44 0.853 -5.022 -10.098 1.00 11.33 H new ATOM 0 HB ILE A 44 -1.171 -5.402 -7.910 1.00 53.21 H new ATOM 0 HG12 ILE A 44 -1.702 -4.939 -10.874 1.00 51.10 H new ATOM 0 HG13 ILE A 44 -2.015 -6.427 -10.002 1.00 51.10 H new ATOM 0 HG21 ILE A 44 -1.799 -3.034 -8.544 1.00 24.41 H new ATOM 0 HG22 ILE A 44 -0.106 -3.147 -8.010 1.00 24.41 H new ATOM 0 HG23 ILE A 44 -0.486 -3.035 -9.745 1.00 24.41 H new ATOM 0 HD11 ILE A 44 -4.093 -5.139 -10.314 1.00 45.42 H new ATOM 0 HD12 ILE A 44 -3.692 -5.258 -8.584 1.00 45.42 H new ATOM 0 HD13 ILE A 44 -3.374 -3.747 -9.470 1.00 45.42 H new ATOM 625 N ALA A 45 1.639 -6.238 -7.121 1.00 43.44 N ATOM 626 CA ALA A 45 2.588 -6.149 -6.018 1.00 70.23 C ATOM 627 C ALA A 45 4.010 -6.258 -6.557 1.00 61.42 C ATOM 628 O ALA A 45 4.808 -5.341 -6.345 1.00 11.23 O ATOM 629 CB ALA A 45 2.310 -7.245 -4.987 1.00 15.02 C ATOM 0 H ALA A 45 1.051 -7.070 -7.082 1.00 43.44 H new ATOM 0 HA ALA A 45 2.474 -5.185 -5.522 1.00 70.23 H new ATOM 0 HB1 ALA A 45 3.027 -7.166 -4.169 1.00 15.02 H new ATOM 0 HB2 ALA A 45 1.299 -7.129 -4.596 1.00 15.02 H new ATOM 0 HB3 ALA A 45 2.406 -8.222 -5.460 1.00 15.02 H new ATOM 635 N GLN A 46 4.310 -7.312 -7.325 1.00 34.24 N ATOM 636 CA GLN A 46 5.629 -7.498 -7.888 1.00 52.20 C ATOM 637 C GLN A 46 5.973 -6.330 -8.816 1.00 32.43 C ATOM 638 O GLN A 46 7.123 -5.900 -8.816 1.00 75.31 O ATOM 639 CB GLN A 46 5.726 -8.863 -8.559 1.00 14.42 C ATOM 640 CG GLN A 46 5.736 -10.044 -7.571 1.00 40.14 C ATOM 641 CD GLN A 46 6.850 -10.010 -6.511 1.00 12.54 C ATOM 642 OE1 GLN A 46 6.736 -9.328 -5.497 1.00 23.03 O ATOM 643 NE2 GLN A 46 7.944 -10.738 -6.679 1.00 74.34 N ATOM 0 H GLN A 46 3.644 -8.047 -7.565 1.00 34.24 H new ATOM 0 HA GLN A 46 6.379 -7.493 -7.097 1.00 52.20 H new ATOM 0 HB2 GLN A 46 4.886 -8.981 -9.243 1.00 14.42 H new ATOM 0 HB3 GLN A 46 6.634 -8.898 -9.161 1.00 14.42 H new ATOM 0 HG2 GLN A 46 4.773 -10.076 -7.061 1.00 40.14 H new ATOM 0 HG3 GLN A 46 5.827 -10.970 -8.139 1.00 40.14 H new ATOM 0 HE21 GLN A 46 8.053 -11.310 -7.517 1.00 74.34 H new ATOM 0 HE22 GLN A 46 8.678 -10.727 -5.971 1.00 74.34 H new ATOM 652 N SER A 47 5.001 -5.748 -9.530 1.00 14.10 N ATOM 653 CA SER A 47 5.228 -4.606 -10.412 1.00 71.02 C ATOM 654 C SER A 47 5.875 -3.459 -9.610 1.00 43.33 C ATOM 655 O SER A 47 6.741 -2.744 -10.131 1.00 12.42 O ATOM 656 CB SER A 47 3.893 -4.205 -11.058 1.00 2.44 C ATOM 657 OG SER A 47 4.033 -3.103 -11.930 1.00 53.32 O ATOM 0 H SER A 47 4.031 -6.061 -9.509 1.00 14.10 H new ATOM 0 HA SER A 47 5.919 -4.861 -11.216 1.00 71.02 H new ATOM 0 HB2 SER A 47 3.489 -5.054 -11.610 1.00 2.44 H new ATOM 0 HB3 SER A 47 3.173 -3.960 -10.278 1.00 2.44 H new ATOM 0 HG SER A 47 3.162 -2.882 -12.320 1.00 53.32 H new ATOM 663 N LEU A 48 5.476 -3.258 -8.347 1.00 14.41 N ATOM 664 CA LEU A 48 6.052 -2.215 -7.504 1.00 10.33 C ATOM 665 C LEU A 48 7.460 -2.627 -7.101 1.00 4.13 C ATOM 666 O LEU A 48 8.359 -1.788 -7.130 1.00 11.21 O ATOM 667 CB LEU A 48 5.219 -1.947 -6.244 1.00 40.45 C ATOM 668 CG LEU A 48 3.792 -1.456 -6.525 1.00 30.10 C ATOM 669 CD1 LEU A 48 3.108 -1.158 -5.194 1.00 40.31 C ATOM 670 CD2 LEU A 48 3.752 -0.209 -7.415 1.00 14.42 C ATOM 0 H LEU A 48 4.751 -3.811 -7.889 1.00 14.41 H new ATOM 0 HA LEU A 48 6.066 -1.292 -8.083 1.00 10.33 H new ATOM 0 HB2 LEU A 48 5.167 -2.863 -5.655 1.00 40.45 H new ATOM 0 HB3 LEU A 48 5.733 -1.205 -5.634 1.00 40.45 H new ATOM 0 HG LEU A 48 3.271 -2.245 -7.068 1.00 30.10 H new ATOM 0 HD11 LEU A 48 2.092 -0.808 -5.377 1.00 40.31 H new ATOM 0 HD12 LEU A 48 3.076 -2.065 -4.590 1.00 40.31 H new ATOM 0 HD13 LEU A 48 3.667 -0.388 -4.662 1.00 40.31 H new ATOM 0 HD21 LEU A 48 2.716 0.089 -7.577 1.00 14.42 H new ATOM 0 HD22 LEU A 48 4.291 0.603 -6.928 1.00 14.42 H new ATOM 0 HD23 LEU A 48 4.220 -0.431 -8.374 1.00 14.42 H new ATOM 682 N VAL A 49 7.671 -3.892 -6.727 1.00 24.51 N ATOM 683 CA VAL A 49 8.989 -4.392 -6.342 1.00 14.20 C ATOM 684 C VAL A 49 9.958 -4.141 -7.509 1.00 32.22 C ATOM 685 O VAL A 49 11.052 -3.631 -7.275 1.00 22.33 O ATOM 686 CB VAL A 49 8.908 -5.866 -5.891 1.00 20.11 C ATOM 687 CG1 VAL A 49 10.268 -6.382 -5.412 1.00 61.02 C ATOM 688 CG2 VAL A 49 7.930 -6.048 -4.725 1.00 43.03 C ATOM 0 H VAL A 49 6.933 -4.595 -6.683 1.00 24.51 H new ATOM 0 HA VAL A 49 9.374 -3.858 -5.474 1.00 14.20 H new ATOM 0 HB VAL A 49 8.570 -6.424 -6.764 1.00 20.11 H new ATOM 0 HG11 VAL A 49 10.174 -7.423 -5.102 1.00 61.02 H new ATOM 0 HG12 VAL A 49 10.991 -6.309 -6.224 1.00 61.02 H new ATOM 0 HG13 VAL A 49 10.608 -5.782 -4.568 1.00 61.02 H new ATOM 0 HG21 VAL A 49 7.900 -7.098 -4.436 1.00 43.03 H new ATOM 0 HG22 VAL A 49 8.259 -5.447 -3.877 1.00 43.03 H new ATOM 0 HG23 VAL A 49 6.934 -5.728 -5.032 1.00 43.03 H new ATOM 698 N GLN A 50 9.547 -4.402 -8.757 1.00 13.44 N ATOM 699 CA GLN A 50 10.372 -4.176 -9.939 1.00 2.12 C ATOM 700 C GLN A 50 10.724 -2.686 -10.054 1.00 31.31 C ATOM 701 O GLN A 50 11.857 -2.338 -10.387 1.00 3.25 O ATOM 702 CB GLN A 50 9.655 -4.641 -11.212 1.00 31.10 C ATOM 703 CG GLN A 50 9.393 -6.151 -11.299 1.00 61.00 C ATOM 704 CD GLN A 50 8.850 -6.497 -12.681 1.00 63.10 C ATOM 705 OE1 GLN A 50 7.649 -6.672 -12.888 1.00 62.40 O ATOM 706 NE2 GLN A 50 9.728 -6.560 -13.663 1.00 23.41 N ATOM 0 H GLN A 50 8.624 -4.779 -8.971 1.00 13.44 H new ATOM 0 HA GLN A 50 11.287 -4.759 -9.831 1.00 2.12 H new ATOM 0 HB2 GLN A 50 8.701 -4.118 -11.285 1.00 31.10 H new ATOM 0 HB3 GLN A 50 10.249 -4.341 -12.075 1.00 31.10 H new ATOM 0 HG2 GLN A 50 10.315 -6.702 -11.111 1.00 61.00 H new ATOM 0 HG3 GLN A 50 8.680 -6.451 -10.531 1.00 61.00 H new ATOM 0 HE21 GLN A 50 10.719 -6.412 -13.471 1.00 23.41 H new ATOM 0 HE22 GLN A 50 9.416 -6.757 -14.614 1.00 23.41 H new ATOM 715 N SER A 51 9.772 -1.795 -9.756 1.00 71.14 N ATOM 716 CA SER A 51 9.999 -0.359 -9.814 1.00 20.43 C ATOM 717 C SER A 51 11.126 0.021 -8.846 1.00 35.51 C ATOM 718 O SER A 51 12.008 0.823 -9.183 1.00 70.41 O ATOM 719 CB SER A 51 8.706 0.392 -9.467 1.00 54.24 C ATOM 720 OG SER A 51 8.817 1.758 -9.815 1.00 42.15 O ATOM 0 H SER A 51 8.828 -2.054 -9.470 1.00 71.14 H new ATOM 0 HA SER A 51 10.296 -0.078 -10.824 1.00 20.43 H new ATOM 0 HB2 SER A 51 7.865 -0.057 -9.996 1.00 54.24 H new ATOM 0 HB3 SER A 51 8.499 0.298 -8.401 1.00 54.24 H new ATOM 0 HG SER A 51 7.984 2.222 -9.589 1.00 42.15 H new ATOM 726 N ILE A 52 11.080 -0.540 -7.637 1.00 21.21 N ATOM 727 CA ILE A 52 12.043 -0.314 -6.573 1.00 60.22 C ATOM 728 C ILE A 52 13.398 -0.907 -6.987 1.00 62.42 C ATOM 729 O ILE A 52 14.408 -0.226 -6.818 1.00 14.22 O ATOM 730 CB ILE A 52 11.479 -0.869 -5.242 1.00 14.21 C ATOM 731 CG1 ILE A 52 10.148 -0.169 -4.861 1.00 42.22 C ATOM 732 CG2 ILE A 52 12.471 -0.695 -4.084 1.00 4.50 C ATOM 733 CD1 ILE A 52 9.381 -0.916 -3.767 1.00 41.02 C ATOM 0 H ILE A 52 10.340 -1.188 -7.368 1.00 21.21 H new ATOM 0 HA ILE A 52 12.214 0.749 -6.405 1.00 60.22 H new ATOM 0 HB ILE A 52 11.303 -1.932 -5.404 1.00 14.21 H new ATOM 0 HG12 ILE A 52 10.359 0.846 -4.523 1.00 42.22 H new ATOM 0 HG13 ILE A 52 9.519 -0.085 -5.747 1.00 42.22 H new ATOM 0 HG21 ILE A 52 12.036 -1.097 -3.169 1.00 4.50 H new ATOM 0 HG22 ILE A 52 13.394 -1.228 -4.312 1.00 4.50 H new ATOM 0 HG23 ILE A 52 12.688 0.364 -3.947 1.00 4.50 H new ATOM 0 HD11 ILE A 52 8.458 -0.382 -3.540 1.00 41.02 H new ATOM 0 HD12 ILE A 52 9.142 -1.922 -4.112 1.00 41.02 H new ATOM 0 HD13 ILE A 52 9.995 -0.977 -2.869 1.00 41.02 H new ATOM 745 N GLN A 53 13.441 -2.108 -7.588 1.00 71.22 N ATOM 746 CA GLN A 53 14.672 -2.775 -8.034 1.00 62.42 C ATOM 747 C GLN A 53 15.528 -1.836 -8.887 1.00 42.32 C ATOM 748 O GLN A 53 16.747 -1.778 -8.708 1.00 34.40 O ATOM 749 CB GLN A 53 14.360 -4.059 -8.833 1.00 72.25 C ATOM 750 CG GLN A 53 13.908 -5.243 -7.968 1.00 2.30 C ATOM 751 CD GLN A 53 13.200 -6.342 -8.764 1.00 24.02 C ATOM 752 OE1 GLN A 53 12.127 -6.790 -8.380 1.00 4.34 O ATOM 753 NE2 GLN A 53 13.755 -6.841 -9.856 1.00 24.15 N ATOM 0 H GLN A 53 12.601 -2.653 -7.781 1.00 71.22 H new ATOM 0 HA GLN A 53 15.230 -3.049 -7.139 1.00 62.42 H new ATOM 0 HB2 GLN A 53 13.581 -3.839 -9.563 1.00 72.25 H new ATOM 0 HB3 GLN A 53 15.249 -4.351 -9.392 1.00 72.25 H new ATOM 0 HG2 GLN A 53 14.777 -5.670 -7.467 1.00 2.30 H new ATOM 0 HG3 GLN A 53 13.238 -4.879 -7.189 1.00 2.30 H new ATOM 0 HE21 GLN A 53 14.649 -6.476 -10.186 1.00 24.15 H new ATOM 0 HE22 GLN A 53 13.289 -7.590 -10.368 1.00 24.15 H new ATOM 762 N SER A 54 14.903 -1.049 -9.768 1.00 61.32 N ATOM 763 CA SER A 54 15.622 -0.120 -10.622 1.00 73.14 C ATOM 764 C SER A 54 16.457 0.873 -9.804 1.00 50.44 C ATOM 765 O SER A 54 17.626 1.105 -10.128 1.00 22.53 O ATOM 766 CB SER A 54 14.631 0.605 -11.535 1.00 71.34 C ATOM 767 OG SER A 54 15.296 1.165 -12.647 1.00 20.11 O ATOM 0 H SER A 54 13.892 -1.043 -9.903 1.00 61.32 H new ATOM 0 HA SER A 54 16.323 -0.684 -11.237 1.00 73.14 H new ATOM 0 HB2 SER A 54 13.866 -0.092 -11.876 1.00 71.34 H new ATOM 0 HB3 SER A 54 14.121 1.390 -10.976 1.00 71.34 H new ATOM 0 HG SER A 54 14.646 1.623 -13.220 1.00 20.11 H new ATOM 773 N LEU A 55 15.886 1.507 -8.776 1.00 61.33 N ATOM 774 CA LEU A 55 16.624 2.463 -7.951 1.00 41.45 C ATOM 775 C LEU A 55 17.550 1.720 -6.996 1.00 13.41 C ATOM 776 O LEU A 55 18.645 2.202 -6.700 1.00 65.43 O ATOM 777 CB LEU A 55 15.675 3.424 -7.222 1.00 41.22 C ATOM 778 CG LEU A 55 15.312 4.675 -8.047 1.00 11.22 C ATOM 779 CD1 LEU A 55 16.501 5.637 -8.186 1.00 1.55 C ATOM 780 CD2 LEU A 55 14.717 4.344 -9.425 1.00 21.42 C ATOM 0 H LEU A 55 14.914 1.374 -8.496 1.00 61.33 H new ATOM 0 HA LEU A 55 17.244 3.083 -8.598 1.00 41.45 H new ATOM 0 HB2 LEU A 55 14.760 2.891 -6.963 1.00 41.22 H new ATOM 0 HB3 LEU A 55 16.137 3.738 -6.286 1.00 41.22 H new ATOM 0 HG LEU A 55 14.530 5.178 -7.479 1.00 11.22 H new ATOM 0 HD11 LEU A 55 16.201 6.504 -8.774 1.00 1.55 H new ATOM 0 HD12 LEU A 55 16.823 5.963 -7.197 1.00 1.55 H new ATOM 0 HD13 LEU A 55 17.325 5.127 -8.686 1.00 1.55 H new ATOM 0 HD21 LEU A 55 14.484 5.269 -9.953 1.00 21.42 H new ATOM 0 HD22 LEU A 55 15.439 3.768 -10.004 1.00 21.42 H new ATOM 0 HD23 LEU A 55 13.805 3.760 -9.297 1.00 21.42 H new ATOM 792 N ALA A 56 17.158 0.522 -6.561 1.00 71.42 N ATOM 793 CA ALA A 56 17.941 -0.327 -5.681 1.00 50.00 C ATOM 794 C ALA A 56 19.292 -0.644 -6.329 1.00 11.14 C ATOM 795 O ALA A 56 20.265 -0.845 -5.606 1.00 11.25 O ATOM 796 CB ALA A 56 17.171 -1.602 -5.362 1.00 3.42 C ATOM 0 H ALA A 56 16.262 0.110 -6.822 1.00 71.42 H new ATOM 0 HA ALA A 56 18.127 0.198 -4.744 1.00 50.00 H new ATOM 0 HB1 ALA A 56 17.767 -2.232 -4.701 1.00 3.42 H new ATOM 0 HB2 ALA A 56 16.232 -1.347 -4.870 1.00 3.42 H new ATOM 0 HB3 ALA A 56 16.962 -2.141 -6.286 1.00 3.42 H new ATOM 802 N ALA A 57 19.362 -0.666 -7.670 1.00 24.04 N ATOM 803 CA ALA A 57 20.586 -0.919 -8.423 1.00 22.40 C ATOM 804 C ALA A 57 21.618 0.199 -8.206 1.00 3.31 C ATOM 805 O ALA A 57 22.800 0.003 -8.478 1.00 14.13 O ATOM 806 CB ALA A 57 20.269 -1.050 -9.916 1.00 15.45 C ATOM 0 H ALA A 57 18.550 -0.505 -8.266 1.00 24.04 H new ATOM 0 HA ALA A 57 21.015 -1.853 -8.059 1.00 22.40 H new ATOM 0 HB1 ALA A 57 21.190 -1.239 -10.468 1.00 15.45 H new ATOM 0 HB2 ALA A 57 19.577 -1.878 -10.070 1.00 15.45 H new ATOM 0 HB3 ALA A 57 19.814 -0.126 -10.274 1.00 15.45 H new ATOM 812 N GLN A 58 21.186 1.388 -7.772 1.00 33.30 N ATOM 813 CA GLN A 58 22.030 2.545 -7.490 1.00 12.54 C ATOM 814 C GLN A 58 22.211 2.699 -5.974 1.00 45.43 C ATOM 815 O GLN A 58 23.033 3.508 -5.544 1.00 23.13 O ATOM 816 CB GLN A 58 21.401 3.828 -8.067 1.00 20.03 C ATOM 817 CG GLN A 58 21.239 3.784 -9.593 1.00 11.14 C ATOM 818 CD GLN A 58 20.690 5.089 -10.177 1.00 63.12 C ATOM 819 OE1 GLN A 58 20.126 5.941 -9.486 1.00 33.41 O ATOM 820 NE2 GLN A 58 20.854 5.274 -11.475 1.00 1.00 N ATOM 0 H GLN A 58 20.198 1.574 -7.602 1.00 33.30 H new ATOM 0 HA GLN A 58 23.001 2.388 -7.960 1.00 12.54 H new ATOM 0 HB2 GLN A 58 20.425 3.985 -7.608 1.00 20.03 H new ATOM 0 HB3 GLN A 58 22.021 4.683 -7.798 1.00 20.03 H new ATOM 0 HG2 GLN A 58 22.205 3.567 -10.049 1.00 11.14 H new ATOM 0 HG3 GLN A 58 20.570 2.965 -9.858 1.00 11.14 H new ATOM 0 HE21 GLN A 58 21.322 4.563 -12.036 1.00 1.00 H new ATOM 0 HE22 GLN A 58 20.513 6.128 -11.916 1.00 1.00 H new ATOM 829 N GLY A 59 21.404 2.006 -5.164 1.00 13.32 N ATOM 830 CA GLY A 59 21.467 2.044 -3.712 1.00 73.52 C ATOM 831 C GLY A 59 20.967 3.356 -3.113 1.00 25.34 C ATOM 832 O GLY A 59 21.131 3.556 -1.906 1.00 72.30 O ATOM 0 H GLY A 59 20.672 1.389 -5.516 1.00 13.32 H new ATOM 0 HA2 GLY A 59 20.876 1.222 -3.309 1.00 73.52 H new ATOM 0 HA3 GLY A 59 22.497 1.880 -3.397 1.00 73.52 H new ATOM 836 N ARG A 60 20.379 4.262 -3.900 1.00 30.02 N ATOM 837 CA ARG A 60 19.897 5.557 -3.430 1.00 2.50 C ATOM 838 C ARG A 60 18.558 5.880 -4.064 1.00 51.52 C ATOM 839 O ARG A 60 18.418 5.663 -5.269 1.00 34.43 O ATOM 840 CB ARG A 60 20.952 6.603 -3.833 1.00 41.44 C ATOM 841 CG ARG A 60 20.689 7.997 -3.247 1.00 72.21 C ATOM 842 CD ARG A 60 19.970 8.915 -4.236 1.00 20.35 C ATOM 843 NE ARG A 60 19.434 10.092 -3.553 1.00 11.21 N ATOM 844 CZ ARG A 60 19.270 11.313 -4.063 1.00 12.43 C ATOM 845 NH1 ARG A 60 19.550 11.594 -5.335 1.00 65.24 N ATOM 846 NH2 ARG A 60 18.820 12.250 -3.240 1.00 71.12 N ATOM 0 H ARG A 60 20.224 4.110 -4.897 1.00 30.02 H new ATOM 0 HA ARG A 60 19.754 5.551 -2.349 1.00 2.50 H new ATOM 0 HB2 ARG A 60 21.934 6.260 -3.507 1.00 41.44 H new ATOM 0 HB3 ARG A 60 20.984 6.675 -4.920 1.00 41.44 H new ATOM 0 HG2 ARG A 60 20.090 7.901 -2.342 1.00 72.21 H new ATOM 0 HG3 ARG A 60 21.636 8.451 -2.956 1.00 72.21 H new ATOM 0 HD2 ARG A 60 20.661 9.226 -5.019 1.00 20.35 H new ATOM 0 HD3 ARG A 60 19.161 8.371 -4.723 1.00 20.35 H new ATOM 0 HE ARG A 60 19.155 9.965 -2.580 1.00 11.21 H new ATOM 0 HH11 ARG A 60 19.902 10.863 -5.953 1.00 65.24 H new ATOM 0 HH12 ARG A 60 19.412 12.540 -5.691 1.00 65.24 H new ATOM 0 HH21 ARG A 60 18.617 12.020 -2.267 1.00 71.12 H new ATOM 0 HH22 ARG A 60 18.677 13.201 -3.580 1.00 71.12 H new ATOM 860 N THR A 61 17.631 6.469 -3.303 1.00 55.35 N ATOM 861 CA THR A 61 16.313 6.847 -3.804 1.00 62.42 C ATOM 862 C THR A 61 15.879 8.197 -3.228 1.00 14.33 C ATOM 863 O THR A 61 15.747 8.348 -2.010 1.00 11.34 O ATOM 864 CB THR A 61 15.263 5.763 -3.491 1.00 55.23 C ATOM 865 OG1 THR A 61 15.713 4.483 -3.881 1.00 44.32 O ATOM 866 CG2 THR A 61 13.977 6.033 -4.279 1.00 25.01 C ATOM 0 H THR A 61 17.777 6.696 -2.319 1.00 55.35 H new ATOM 0 HA THR A 61 16.386 6.941 -4.887 1.00 62.42 H new ATOM 0 HB THR A 61 15.089 5.792 -2.415 1.00 55.23 H new ATOM 0 HG1 THR A 61 15.027 3.816 -3.669 1.00 44.32 H new ATOM 0 HG21 THR A 61 13.242 5.261 -4.051 1.00 25.01 H new ATOM 0 HG22 THR A 61 13.578 7.008 -4.001 1.00 25.01 H new ATOM 0 HG23 THR A 61 14.195 6.021 -5.347 1.00 25.01 H new ATOM 874 N SER A 62 15.661 9.180 -4.104 1.00 44.10 N ATOM 875 CA SER A 62 15.205 10.517 -3.749 1.00 30.13 C ATOM 876 C SER A 62 13.812 10.414 -3.099 1.00 53.02 C ATOM 877 O SER A 62 12.975 9.648 -3.581 1.00 32.03 O ATOM 878 CB SER A 62 15.112 11.348 -5.034 1.00 61.23 C ATOM 879 OG SER A 62 16.321 12.041 -5.270 1.00 62.24 O ATOM 0 H SER A 62 15.802 9.060 -5.107 1.00 44.10 H new ATOM 0 HA SER A 62 15.896 10.987 -3.049 1.00 30.13 H new ATOM 0 HB2 SER A 62 14.890 10.696 -5.879 1.00 61.23 H new ATOM 0 HB3 SER A 62 14.289 12.059 -4.955 1.00 61.23 H new ATOM 0 HG SER A 62 16.243 12.564 -6.095 1.00 62.24 H new ATOM 885 N PRO A 63 13.487 11.223 -2.078 1.00 12.55 N ATOM 886 CA PRO A 63 12.189 11.162 -1.407 1.00 54.44 C ATOM 887 C PRO A 63 11.018 11.555 -2.313 1.00 62.12 C ATOM 888 O PRO A 63 9.938 10.987 -2.182 1.00 62.14 O ATOM 889 CB PRO A 63 12.304 12.083 -0.194 1.00 23.52 C ATOM 890 CG PRO A 63 13.388 13.070 -0.618 1.00 55.33 C ATOM 891 CD PRO A 63 14.346 12.187 -1.412 1.00 63.53 C ATOM 0 HA PRO A 63 11.963 10.136 -1.116 1.00 54.44 H new ATOM 0 HB2 PRO A 63 11.362 12.586 0.022 1.00 23.52 H new ATOM 0 HB3 PRO A 63 12.586 11.534 0.705 1.00 23.52 H new ATOM 0 HG2 PRO A 63 12.984 13.880 -1.226 1.00 55.33 H new ATOM 0 HG3 PRO A 63 13.877 13.529 0.241 1.00 55.33 H new ATOM 0 HD2 PRO A 63 14.919 12.771 -2.132 1.00 63.53 H new ATOM 0 HD3 PRO A 63 15.064 11.693 -0.758 1.00 63.53 H new ATOM 899 N ASN A 64 11.219 12.479 -3.261 1.00 3.43 N ATOM 900 CA ASN A 64 10.162 12.910 -4.179 1.00 31.33 C ATOM 901 C ASN A 64 9.594 11.707 -4.938 1.00 5.41 C ATOM 902 O ASN A 64 8.403 11.409 -4.865 1.00 22.42 O ATOM 903 CB ASN A 64 10.708 13.960 -5.165 1.00 33.42 C ATOM 904 CG ASN A 64 9.839 14.102 -6.411 1.00 45.51 C ATOM 905 OD1 ASN A 64 8.615 14.092 -6.354 1.00 41.03 O ATOM 906 ND2 ASN A 64 10.452 14.224 -7.577 1.00 21.15 N ATOM 0 H ASN A 64 12.114 12.945 -3.411 1.00 3.43 H new ATOM 0 HA ASN A 64 9.358 13.364 -3.599 1.00 31.33 H new ATOM 0 HB2 ASN A 64 10.776 14.925 -4.662 1.00 33.42 H new ATOM 0 HB3 ASN A 64 11.720 13.683 -5.462 1.00 33.42 H new ATOM 0 HD21 ASN A 64 9.906 14.310 -8.434 1.00 21.15 H new ATOM 0 HD22 ASN A 64 11.471 14.232 -7.619 1.00 21.15 H new ATOM 913 N LYS A 65 10.469 10.996 -5.651 1.00 70.13 N ATOM 914 CA LYS A 65 10.080 9.831 -6.432 1.00 32.25 C ATOM 915 C LYS A 65 9.630 8.675 -5.543 1.00 22.52 C ATOM 916 O LYS A 65 8.734 7.930 -5.942 1.00 32.45 O ATOM 917 CB LYS A 65 11.207 9.440 -7.386 1.00 21.44 C ATOM 918 CG LYS A 65 12.508 9.019 -6.695 1.00 23.05 C ATOM 919 CD LYS A 65 13.632 8.673 -7.672 1.00 74.02 C ATOM 920 CE LYS A 65 13.269 7.490 -8.562 1.00 21.04 C ATOM 921 NZ LYS A 65 12.563 7.854 -9.813 1.00 73.24 N ATOM 0 H LYS A 65 11.464 11.215 -5.700 1.00 70.13 H new ATOM 0 HA LYS A 65 9.211 10.092 -7.037 1.00 32.25 H new ATOM 0 HB2 LYS A 65 10.864 8.620 -8.017 1.00 21.44 H new ATOM 0 HB3 LYS A 65 11.417 10.283 -8.045 1.00 21.44 H new ATOM 0 HG2 LYS A 65 12.841 9.825 -6.041 1.00 23.05 H new ATOM 0 HG3 LYS A 65 12.310 8.155 -6.060 1.00 23.05 H new ATOM 0 HD2 LYS A 65 13.852 9.541 -8.294 1.00 74.02 H new ATOM 0 HD3 LYS A 65 14.539 8.442 -7.114 1.00 74.02 H new ATOM 0 HE2 LYS A 65 14.181 6.952 -8.818 1.00 21.04 H new ATOM 0 HE3 LYS A 65 12.643 6.803 -7.993 1.00 21.04 H new ATOM 0 HZ1 LYS A 65 11.701 7.279 -9.905 1.00 73.24 H new ATOM 0 HZ2 LYS A 65 12.306 8.861 -9.786 1.00 73.24 H new ATOM 0 HZ3 LYS A 65 13.186 7.678 -10.627 1.00 73.24 H new ATOM 935 N LEU A 66 10.218 8.544 -4.348 1.00 45.32 N ATOM 936 CA LEU A 66 9.887 7.508 -3.376 1.00 52.34 C ATOM 937 C LEU A 66 8.405 7.658 -3.016 1.00 31.24 C ATOM 938 O LEU A 66 7.663 6.676 -3.028 1.00 55.31 O ATOM 939 CB LEU A 66 10.813 7.667 -2.155 1.00 2.14 C ATOM 940 CG LEU A 66 10.757 6.547 -1.109 1.00 13.42 C ATOM 941 CD1 LEU A 66 11.357 5.243 -1.634 1.00 15.45 C ATOM 942 CD2 LEU A 66 11.527 6.982 0.144 1.00 24.14 C ATOM 0 H LEU A 66 10.954 9.173 -4.027 1.00 45.32 H new ATOM 0 HA LEU A 66 10.040 6.505 -3.774 1.00 52.34 H new ATOM 0 HB2 LEU A 66 11.839 7.750 -2.513 1.00 2.14 H new ATOM 0 HB3 LEU A 66 10.570 8.608 -1.662 1.00 2.14 H new ATOM 0 HG LEU A 66 9.708 6.366 -0.874 1.00 13.42 H new ATOM 0 HD11 LEU A 66 11.296 4.477 -0.861 1.00 15.45 H new ATOM 0 HD12 LEU A 66 10.802 4.915 -2.513 1.00 15.45 H new ATOM 0 HD13 LEU A 66 12.401 5.405 -1.903 1.00 15.45 H new ATOM 0 HD21 LEU A 66 11.488 6.187 0.889 1.00 24.14 H new ATOM 0 HD22 LEU A 66 12.566 7.183 -0.119 1.00 24.14 H new ATOM 0 HD23 LEU A 66 11.075 7.885 0.554 1.00 24.14 H new ATOM 954 N GLN A 67 7.959 8.886 -2.736 1.00 50.22 N ATOM 955 CA GLN A 67 6.571 9.163 -2.401 1.00 43.42 C ATOM 956 C GLN A 67 5.696 9.021 -3.654 1.00 53.41 C ATOM 957 O GLN A 67 4.592 8.487 -3.566 1.00 31.11 O ATOM 958 CB GLN A 67 6.448 10.575 -1.809 1.00 50.03 C ATOM 959 CG GLN A 67 5.123 10.754 -1.050 1.00 44.22 C ATOM 960 CD GLN A 67 4.807 12.230 -0.852 1.00 30.51 C ATOM 961 OE1 GLN A 67 4.156 12.844 -1.699 1.00 22.43 O ATOM 962 NE2 GLN A 67 5.263 12.841 0.226 1.00 54.20 N ATOM 0 H GLN A 67 8.556 9.713 -2.737 1.00 50.22 H new ATOM 0 HA GLN A 67 6.228 8.446 -1.655 1.00 43.42 H new ATOM 0 HB2 GLN A 67 7.283 10.762 -1.134 1.00 50.03 H new ATOM 0 HB3 GLN A 67 6.513 11.313 -2.609 1.00 50.03 H new ATOM 0 HG2 GLN A 67 4.315 10.276 -1.603 1.00 44.22 H new ATOM 0 HG3 GLN A 67 5.184 10.258 -0.081 1.00 44.22 H new ATOM 0 HE21 GLN A 67 5.800 12.320 0.919 1.00 54.20 H new ATOM 0 HE22 GLN A 67 5.078 13.834 0.366 1.00 54.20 H new ATOM 971 N ALA A 68 6.185 9.438 -4.829 1.00 65.42 N ATOM 972 CA ALA A 68 5.435 9.356 -6.078 1.00 40.11 C ATOM 973 C ALA A 68 4.968 7.925 -6.357 1.00 53.42 C ATOM 974 O ALA A 68 3.810 7.731 -6.735 1.00 24.24 O ATOM 975 CB ALA A 68 6.258 9.904 -7.248 1.00 43.02 C ATOM 0 H ALA A 68 7.115 9.842 -4.935 1.00 65.42 H new ATOM 0 HA ALA A 68 4.546 9.977 -5.971 1.00 40.11 H new ATOM 0 HB1 ALA A 68 5.677 9.832 -8.167 1.00 43.02 H new ATOM 0 HB2 ALA A 68 6.509 10.948 -7.059 1.00 43.02 H new ATOM 0 HB3 ALA A 68 7.175 9.323 -7.352 1.00 43.02 H new ATOM 981 N LEU A 69 5.844 6.926 -6.201 1.00 51.32 N ATOM 982 CA LEU A 69 5.465 5.530 -6.434 1.00 74.22 C ATOM 983 C LEU A 69 4.497 5.024 -5.362 1.00 3.21 C ATOM 984 O LEU A 69 3.696 4.131 -5.640 1.00 44.44 O ATOM 985 CB LEU A 69 6.662 4.616 -6.725 1.00 54.23 C ATOM 986 CG LEU A 69 7.791 4.570 -5.689 1.00 1.13 C ATOM 987 CD1 LEU A 69 7.482 3.675 -4.498 1.00 74.43 C ATOM 988 CD2 LEU A 69 9.041 4.042 -6.380 1.00 73.02 C ATOM 0 H LEU A 69 6.814 7.058 -5.916 1.00 51.32 H new ATOM 0 HA LEU A 69 4.900 5.493 -7.365 1.00 74.22 H new ATOM 0 HB2 LEU A 69 6.285 3.602 -6.856 1.00 54.23 H new ATOM 0 HB3 LEU A 69 7.094 4.922 -7.678 1.00 54.23 H new ATOM 0 HG LEU A 69 7.923 5.580 -5.302 1.00 1.13 H new ATOM 0 HD11 LEU A 69 8.323 3.689 -3.805 1.00 74.43 H new ATOM 0 HD12 LEU A 69 6.588 4.039 -3.992 1.00 74.43 H new ATOM 0 HD13 LEU A 69 7.313 2.655 -4.843 1.00 74.43 H new ATOM 0 HD21 LEU A 69 9.862 3.999 -5.664 1.00 73.02 H new ATOM 0 HD22 LEU A 69 8.847 3.043 -6.770 1.00 73.02 H new ATOM 0 HD23 LEU A 69 9.311 4.706 -7.201 1.00 73.02 H new ATOM 1000 N ASN A 70 4.539 5.576 -4.144 1.00 52.43 N ATOM 1001 CA ASN A 70 3.636 5.161 -3.074 1.00 51.51 C ATOM 1002 C ASN A 70 2.195 5.521 -3.445 1.00 21.30 C ATOM 1003 O ASN A 70 1.274 4.754 -3.164 1.00 44.45 O ATOM 1004 CB ASN A 70 4.033 5.794 -1.734 1.00 23.34 C ATOM 1005 CG ASN A 70 3.030 5.445 -0.656 1.00 35.42 C ATOM 1006 OD1 ASN A 70 2.732 4.276 -0.443 1.00 34.53 O ATOM 1007 ND2 ASN A 70 2.478 6.430 0.027 1.00 42.23 N ATOM 0 H ASN A 70 5.192 6.313 -3.878 1.00 52.43 H new ATOM 0 HA ASN A 70 3.710 4.080 -2.956 1.00 51.51 H new ATOM 0 HB2 ASN A 70 5.024 5.446 -1.442 1.00 23.34 H new ATOM 0 HB3 ASN A 70 4.095 6.877 -1.842 1.00 23.34 H new ATOM 0 HD21 ASN A 70 1.788 6.225 0.750 1.00 42.23 H new ATOM 0 HD22 ASN A 70 2.742 7.396 -0.168 1.00 42.23 H new ATOM 1014 N MET A 71 1.985 6.656 -4.115 1.00 25.12 N ATOM 1015 CA MET A 71 0.646 7.072 -4.520 1.00 71.15 C ATOM 1016 C MET A 71 0.051 6.080 -5.531 1.00 63.30 C ATOM 1017 O MET A 71 -1.140 5.773 -5.447 1.00 52.55 O ATOM 1018 CB MET A 71 0.660 8.515 -5.040 1.00 4.15 C ATOM 1019 CG MET A 71 1.198 9.495 -3.986 1.00 2.02 C ATOM 1020 SD MET A 71 0.944 11.264 -4.308 1.00 35.13 S ATOM 1021 CE MET A 71 1.360 11.372 -6.068 1.00 61.23 C ATOM 0 H MET A 71 2.726 7.301 -4.387 1.00 25.12 H new ATOM 0 HA MET A 71 -0.008 7.060 -3.648 1.00 71.15 H new ATOM 0 HB2 MET A 71 1.276 8.572 -5.938 1.00 4.15 H new ATOM 0 HB3 MET A 71 -0.350 8.808 -5.327 1.00 4.15 H new ATOM 0 HG2 MET A 71 0.734 9.254 -3.030 1.00 2.02 H new ATOM 0 HG3 MET A 71 2.268 9.320 -3.874 1.00 2.02 H new ATOM 0 HE1 MET A 71 1.423 12.419 -6.363 1.00 61.23 H new ATOM 0 HE2 MET A 71 2.320 10.887 -6.245 1.00 61.23 H new ATOM 0 HE3 MET A 71 0.588 10.875 -6.655 1.00 61.23 H new ATOM 1031 N ALA A 72 0.869 5.507 -6.424 1.00 12.03 N ATOM 1032 CA ALA A 72 0.392 4.542 -7.411 1.00 44.44 C ATOM 1033 C ALA A 72 -0.085 3.249 -6.743 1.00 41.31 C ATOM 1034 O ALA A 72 -0.983 2.592 -7.259 1.00 42.32 O ATOM 1035 CB ALA A 72 1.488 4.233 -8.431 1.00 23.44 C ATOM 0 H ALA A 72 1.869 5.700 -6.479 1.00 12.03 H new ATOM 0 HA ALA A 72 -0.457 4.989 -7.927 1.00 44.44 H new ATOM 0 HB1 ALA A 72 1.115 3.512 -9.159 1.00 23.44 H new ATOM 0 HB2 ALA A 72 1.777 5.150 -8.944 1.00 23.44 H new ATOM 0 HB3 ALA A 72 2.355 3.816 -7.919 1.00 23.44 H new ATOM 1041 N PHE A 73 0.496 2.866 -5.603 1.00 41.02 N ATOM 1042 CA PHE A 73 0.087 1.654 -4.902 1.00 70.24 C ATOM 1043 C PHE A 73 -1.371 1.804 -4.449 1.00 63.15 C ATOM 1044 O PHE A 73 -2.200 0.928 -4.704 1.00 23.13 O ATOM 1045 CB PHE A 73 1.039 1.397 -3.726 1.00 45.35 C ATOM 1046 CG PHE A 73 0.701 0.212 -2.842 1.00 2.22 C ATOM 1047 CD1 PHE A 73 0.949 0.286 -1.459 1.00 42.13 C ATOM 1048 CD2 PHE A 73 0.150 -0.966 -3.380 1.00 12.34 C ATOM 1049 CE1 PHE A 73 0.645 -0.802 -0.626 1.00 54.14 C ATOM 1050 CE2 PHE A 73 -0.153 -2.052 -2.546 1.00 33.43 C ATOM 1051 CZ PHE A 73 0.096 -1.975 -1.168 1.00 51.33 C ATOM 0 H PHE A 73 1.251 3.380 -5.149 1.00 41.02 H new ATOM 0 HA PHE A 73 0.143 0.789 -5.562 1.00 70.24 H new ATOM 0 HB2 PHE A 73 2.044 1.254 -4.123 1.00 45.35 H new ATOM 0 HB3 PHE A 73 1.066 2.292 -3.105 1.00 45.35 H new ATOM 0 HD1 PHE A 73 1.375 1.184 -1.037 1.00 42.13 H new ATOM 0 HD2 PHE A 73 -0.041 -1.034 -4.441 1.00 12.34 H new ATOM 0 HE1 PHE A 73 0.834 -0.737 0.435 1.00 54.14 H new ATOM 0 HE2 PHE A 73 -0.580 -2.951 -2.966 1.00 33.43 H new ATOM 0 HZ PHE A 73 -0.133 -2.814 -0.527 1.00 51.33 H new ATOM 1061 N ALA A 74 -1.683 2.939 -3.813 1.00 62.15 N ATOM 1062 CA ALA A 74 -3.021 3.249 -3.331 1.00 72.51 C ATOM 1063 C ALA A 74 -4.000 3.367 -4.504 1.00 45.25 C ATOM 1064 O ALA A 74 -5.168 3.001 -4.363 1.00 24.12 O ATOM 1065 CB ALA A 74 -2.981 4.540 -2.521 1.00 42.23 C ATOM 0 H ALA A 74 -1.001 3.672 -3.620 1.00 62.15 H new ATOM 0 HA ALA A 74 -3.370 2.441 -2.688 1.00 72.51 H new ATOM 0 HB1 ALA A 74 -3.982 4.774 -2.159 1.00 42.23 H new ATOM 0 HB2 ALA A 74 -2.308 4.416 -1.672 1.00 42.23 H new ATOM 0 HB3 ALA A 74 -2.624 5.354 -3.152 1.00 42.23 H new ATOM 1071 N SER A 75 -3.527 3.862 -5.656 1.00 33.10 N ATOM 1072 CA SER A 75 -4.327 4.003 -6.865 1.00 60.40 C ATOM 1073 C SER A 75 -4.838 2.607 -7.229 1.00 21.51 C ATOM 1074 O SER A 75 -6.043 2.418 -7.364 1.00 72.25 O ATOM 1075 CB SER A 75 -3.476 4.639 -7.979 1.00 40.20 C ATOM 1076 OG SER A 75 -4.132 4.687 -9.229 1.00 74.10 O ATOM 0 H SER A 75 -2.564 4.178 -5.768 1.00 33.10 H new ATOM 0 HA SER A 75 -5.181 4.665 -6.719 1.00 60.40 H new ATOM 0 HB2 SER A 75 -3.201 5.651 -7.683 1.00 40.20 H new ATOM 0 HB3 SER A 75 -2.549 4.075 -8.085 1.00 40.20 H new ATOM 0 HG SER A 75 -4.885 5.312 -9.180 1.00 74.10 H new ATOM 1082 N SER A 76 -3.959 1.599 -7.296 1.00 72.54 N ATOM 1083 CA SER A 76 -4.354 0.235 -7.643 1.00 0.54 C ATOM 1084 C SER A 76 -5.379 -0.343 -6.651 1.00 42.12 C ATOM 1085 O SER A 76 -6.268 -1.102 -7.038 1.00 20.53 O ATOM 1086 CB SER A 76 -3.106 -0.639 -7.766 1.00 41.44 C ATOM 1087 OG SER A 76 -2.087 0.009 -8.519 1.00 60.43 O ATOM 0 H SER A 76 -2.962 1.708 -7.112 1.00 72.54 H new ATOM 0 HA SER A 76 -4.861 0.252 -8.608 1.00 0.54 H new ATOM 0 HB2 SER A 76 -2.729 -0.878 -6.772 1.00 41.44 H new ATOM 0 HB3 SER A 76 -3.368 -1.583 -8.243 1.00 41.44 H new ATOM 0 HG SER A 76 -1.302 -0.575 -8.578 1.00 60.43 H new ATOM 1093 N LEU A 77 -5.282 0.008 -5.365 1.00 50.51 N ATOM 1094 CA LEU A 77 -6.220 -0.462 -4.346 1.00 63.45 C ATOM 1095 C LEU A 77 -7.616 0.105 -4.633 1.00 60.53 C ATOM 1096 O LEU A 77 -8.615 -0.597 -4.456 1.00 22.34 O ATOM 1097 CB LEU A 77 -5.763 -0.012 -2.947 1.00 21.44 C ATOM 1098 CG LEU A 77 -5.062 -1.086 -2.102 1.00 43.43 C ATOM 1099 CD1 LEU A 77 -3.757 -1.619 -2.688 1.00 72.23 C ATOM 1100 CD2 LEU A 77 -4.727 -0.459 -0.752 1.00 54.20 C ATOM 0 H LEU A 77 -4.553 0.624 -5.004 1.00 50.51 H new ATOM 0 HA LEU A 77 -6.251 -1.551 -4.374 1.00 63.45 H new ATOM 0 HB2 LEU A 77 -5.086 0.835 -3.060 1.00 21.44 H new ATOM 0 HB3 LEU A 77 -6.633 0.347 -2.398 1.00 21.44 H new ATOM 0 HG LEU A 77 -5.748 -1.931 -2.047 1.00 43.43 H new ATOM 0 HD11 LEU A 77 -3.339 -2.371 -2.020 1.00 72.23 H new ATOM 0 HD12 LEU A 77 -3.952 -2.067 -3.662 1.00 72.23 H new ATOM 0 HD13 LEU A 77 -3.047 -0.799 -2.801 1.00 72.23 H new ATOM 0 HD21 LEU A 77 -4.226 -1.195 -0.123 1.00 54.20 H new ATOM 0 HD22 LEU A 77 -4.070 0.397 -0.902 1.00 54.20 H new ATOM 0 HD23 LEU A 77 -5.645 -0.131 -0.265 1.00 54.20 H new ATOM 1112 N ALA A 78 -7.698 1.381 -5.018 1.00 30.40 N ATOM 1113 CA ALA A 78 -8.951 2.057 -5.330 1.00 41.01 C ATOM 1114 C ALA A 78 -9.504 1.587 -6.672 1.00 4.31 C ATOM 1115 O ALA A 78 -10.698 1.343 -6.773 1.00 62.53 O ATOM 1116 CB ALA A 78 -8.723 3.561 -5.355 1.00 31.25 C ATOM 0 H ALA A 78 -6.879 1.980 -5.122 1.00 30.40 H new ATOM 0 HA ALA A 78 -9.682 1.812 -4.559 1.00 41.01 H new ATOM 0 HB1 ALA A 78 -9.660 4.067 -5.588 1.00 31.25 H new ATOM 0 HB2 ALA A 78 -8.365 3.891 -4.380 1.00 31.25 H new ATOM 0 HB3 ALA A 78 -7.980 3.804 -6.115 1.00 31.25 H new ATOM 1122 N GLU A 79 -8.635 1.386 -7.659 1.00 62.14 N ATOM 1123 CA GLU A 79 -8.941 0.932 -9.010 1.00 64.21 C ATOM 1124 C GLU A 79 -9.703 -0.393 -8.926 1.00 2.21 C ATOM 1125 O GLU A 79 -10.802 -0.509 -9.467 1.00 63.42 O ATOM 1126 CB GLU A 79 -7.594 0.831 -9.746 1.00 42.32 C ATOM 1127 CG GLU A 79 -7.615 0.252 -11.163 1.00 2.52 C ATOM 1128 CD GLU A 79 -6.241 0.359 -11.849 1.00 74.13 C ATOM 1129 OE1 GLU A 79 -5.182 0.511 -11.191 1.00 44.41 O ATOM 1130 OE2 GLU A 79 -6.202 0.378 -13.099 1.00 2.31 O ATOM 0 H GLU A 79 -7.636 1.546 -7.527 1.00 62.14 H new ATOM 0 HA GLU A 79 -9.587 1.613 -9.563 1.00 64.21 H new ATOM 0 HB2 GLU A 79 -7.160 1.830 -9.795 1.00 42.32 H new ATOM 0 HB3 GLU A 79 -6.923 0.221 -9.141 1.00 42.32 H new ATOM 0 HG2 GLU A 79 -7.920 -0.794 -11.123 1.00 2.52 H new ATOM 0 HG3 GLU A 79 -8.360 0.779 -11.759 1.00 2.52 H new ATOM 1137 N ILE A 80 -9.165 -1.369 -8.188 1.00 21.11 N ATOM 1138 CA ILE A 80 -9.809 -2.667 -8.018 1.00 13.44 C ATOM 1139 C ILE A 80 -11.084 -2.492 -7.173 1.00 70.44 C ATOM 1140 O ILE A 80 -12.088 -3.154 -7.432 1.00 64.41 O ATOM 1141 CB ILE A 80 -8.793 -3.666 -7.412 1.00 15.31 C ATOM 1142 CG1 ILE A 80 -7.583 -3.900 -8.349 1.00 2.41 C ATOM 1143 CG2 ILE A 80 -9.439 -5.013 -7.035 1.00 65.15 C ATOM 1144 CD1 ILE A 80 -7.881 -4.661 -9.644 1.00 60.42 C ATOM 0 H ILE A 80 -8.276 -1.279 -7.696 1.00 21.11 H new ATOM 0 HA ILE A 80 -10.122 -3.083 -8.975 1.00 13.44 H new ATOM 0 HB ILE A 80 -8.434 -3.202 -6.494 1.00 15.31 H new ATOM 0 HG12 ILE A 80 -7.156 -2.931 -8.609 1.00 2.41 H new ATOM 0 HG13 ILE A 80 -6.819 -4.447 -7.796 1.00 2.41 H new ATOM 0 HG21 ILE A 80 -8.682 -5.675 -6.615 1.00 65.15 H new ATOM 0 HG22 ILE A 80 -10.224 -4.846 -6.298 1.00 65.15 H new ATOM 0 HG23 ILE A 80 -9.869 -5.472 -7.925 1.00 65.15 H new ATOM 0 HD11 ILE A 80 -6.963 -4.768 -10.223 1.00 60.42 H new ATOM 0 HD12 ILE A 80 -8.275 -5.648 -9.403 1.00 60.42 H new ATOM 0 HD13 ILE A 80 -8.617 -4.109 -10.229 1.00 60.42 H new ATOM 1156 N ALA A 81 -11.083 -1.605 -6.170 1.00 52.54 N ATOM 1157 CA ALA A 81 -12.261 -1.389 -5.336 1.00 12.40 C ATOM 1158 C ALA A 81 -13.440 -0.840 -6.146 1.00 31.22 C ATOM 1159 O ALA A 81 -14.574 -1.254 -5.900 1.00 62.41 O ATOM 1160 CB ALA A 81 -11.938 -0.449 -4.171 1.00 2.33 C ATOM 0 H ALA A 81 -10.279 -1.029 -5.921 1.00 52.54 H new ATOM 0 HA ALA A 81 -12.554 -2.360 -4.936 1.00 12.40 H new ATOM 0 HB1 ALA A 81 -12.831 -0.303 -3.563 1.00 2.33 H new ATOM 0 HB2 ALA A 81 -11.150 -0.886 -3.558 1.00 2.33 H new ATOM 0 HB3 ALA A 81 -11.603 0.512 -4.561 1.00 2.33 H new ATOM 1166 N ALA A 82 -13.169 0.076 -7.077 1.00 71.14 N ATOM 1167 CA ALA A 82 -14.116 0.734 -7.966 1.00 42.10 C ATOM 1168 C ALA A 82 -14.545 -0.141 -9.156 1.00 1.34 C ATOM 1169 O ALA A 82 -15.215 0.361 -10.066 1.00 41.23 O ATOM 1170 CB ALA A 82 -13.504 2.056 -8.442 1.00 63.44 C ATOM 0 H ALA A 82 -12.214 0.397 -7.237 1.00 71.14 H new ATOM 0 HA ALA A 82 -15.031 0.922 -7.404 1.00 42.10 H new ATOM 0 HB1 ALA A 82 -14.202 2.561 -9.109 1.00 63.44 H new ATOM 0 HB2 ALA A 82 -13.300 2.693 -7.581 1.00 63.44 H new ATOM 0 HB3 ALA A 82 -12.574 1.856 -8.974 1.00 63.44 H new ATOM 1176 N SER A 83 -14.105 -1.401 -9.197 1.00 30.13 N ATOM 1177 CA SER A 83 -14.450 -2.367 -10.226 1.00 0.31 C ATOM 1178 C SER A 83 -15.841 -2.904 -9.846 1.00 15.23 C ATOM 1179 O SER A 83 -16.672 -2.166 -9.302 1.00 22.44 O ATOM 1180 CB SER A 83 -13.345 -3.437 -10.275 1.00 65.32 C ATOM 1181 OG SER A 83 -13.413 -4.219 -11.455 1.00 43.11 O ATOM 0 H SER A 83 -13.478 -1.783 -8.488 1.00 30.13 H new ATOM 0 HA SER A 83 -14.506 -1.953 -11.233 1.00 0.31 H new ATOM 0 HB2 SER A 83 -12.370 -2.954 -10.217 1.00 65.32 H new ATOM 0 HB3 SER A 83 -13.431 -4.087 -9.404 1.00 65.32 H new ATOM 0 HG SER A 83 -12.694 -4.885 -11.448 1.00 43.11 H new ATOM 1187 N GLU A 84 -16.151 -4.150 -10.195 1.00 73.22 N ATOM 1188 CA GLU A 84 -17.423 -4.774 -9.854 1.00 72.44 C ATOM 1189 C GLU A 84 -17.378 -5.162 -8.362 1.00 53.41 C ATOM 1190 O GLU A 84 -16.594 -4.609 -7.584 1.00 13.41 O ATOM 1191 CB GLU A 84 -17.686 -5.946 -10.815 1.00 44.31 C ATOM 1192 CG GLU A 84 -19.170 -6.355 -10.903 1.00 42.24 C ATOM 1193 CD GLU A 84 -19.510 -7.151 -12.164 1.00 31.10 C ATOM 1194 OE1 GLU A 84 -18.687 -7.196 -13.111 1.00 0.10 O ATOM 1195 OE2 GLU A 84 -20.658 -7.637 -12.260 1.00 42.23 O ATOM 0 H GLU A 84 -15.524 -4.756 -10.724 1.00 73.22 H new ATOM 0 HA GLU A 84 -18.268 -4.097 -9.980 1.00 72.44 H new ATOM 0 HB2 GLU A 84 -17.334 -5.674 -11.810 1.00 44.31 H new ATOM 0 HB3 GLU A 84 -17.100 -6.807 -10.493 1.00 44.31 H new ATOM 0 HG2 GLU A 84 -19.427 -6.950 -10.027 1.00 42.24 H new ATOM 0 HG3 GLU A 84 -19.788 -5.458 -10.871 1.00 42.24 H new ATOM 1202 N GLU A 85 -18.262 -6.057 -7.929 1.00 34.14 N ATOM 1203 CA GLU A 85 -18.308 -6.508 -6.555 1.00 73.01 C ATOM 1204 C GLU A 85 -16.972 -7.153 -6.162 1.00 30.32 C ATOM 1205 O GLU A 85 -16.306 -7.816 -6.966 1.00 21.14 O ATOM 1206 CB GLU A 85 -19.521 -7.417 -6.352 1.00 43.01 C ATOM 1207 CG GLU A 85 -19.480 -8.757 -7.101 1.00 45.21 C ATOM 1208 CD GLU A 85 -20.725 -9.559 -6.737 1.00 12.10 C ATOM 1209 OE1 GLU A 85 -20.938 -9.858 -5.535 1.00 40.11 O ATOM 1210 OE2 GLU A 85 -21.564 -9.831 -7.619 1.00 25.43 O ATOM 0 H GLU A 85 -18.966 -6.487 -8.529 1.00 34.14 H new ATOM 0 HA GLU A 85 -18.439 -5.662 -5.880 1.00 73.01 H new ATOM 0 HB2 GLU A 85 -19.626 -7.620 -5.286 1.00 43.01 H new ATOM 0 HB3 GLU A 85 -20.414 -6.875 -6.662 1.00 43.01 H new ATOM 0 HG2 GLU A 85 -19.441 -8.587 -8.177 1.00 45.21 H new ATOM 0 HG3 GLU A 85 -18.581 -9.312 -6.833 1.00 45.21 H new ATOM 1217 N GLY A 86 -16.599 -7.000 -4.893 1.00 64.41 N ATOM 1218 CA GLY A 86 -15.353 -7.525 -4.387 1.00 54.11 C ATOM 1219 C GLY A 86 -15.268 -7.516 -2.876 1.00 11.34 C ATOM 1220 O GLY A 86 -14.259 -7.039 -2.365 1.00 12.24 O ATOM 0 H GLY A 86 -17.158 -6.508 -4.196 1.00 64.41 H new ATOM 0 HA2 GLY A 86 -15.225 -8.547 -4.745 1.00 54.11 H new ATOM 0 HA3 GLY A 86 -14.528 -6.940 -4.794 1.00 54.11 H new ATOM 1224 N GLY A 87 -16.265 -8.034 -2.163 1.00 44.30 N ATOM 1225 CA GLY A 87 -16.270 -8.086 -0.707 1.00 14.02 C ATOM 1226 C GLY A 87 -17.126 -6.982 -0.101 1.00 62.15 C ATOM 1227 O GLY A 87 -18.354 -7.110 -0.094 1.00 33.23 O ATOM 0 H GLY A 87 -17.102 -8.434 -2.587 1.00 44.30 H new ATOM 0 HA2 GLY A 87 -16.644 -9.056 -0.380 1.00 14.02 H new ATOM 0 HA3 GLY A 87 -15.248 -7.997 -0.337 1.00 14.02 H new ATOM 1231 N GLY A 88 -16.499 -5.910 0.388 1.00 51.32 N ATOM 1232 CA GLY A 88 -17.192 -4.784 1.013 1.00 63.10 C ATOM 1233 C GLY A 88 -17.516 -3.642 0.051 1.00 4.43 C ATOM 1234 O GLY A 88 -17.104 -3.634 -1.111 1.00 12.24 O ATOM 0 H GLY A 88 -15.485 -5.799 0.360 1.00 51.32 H new ATOM 0 HA2 GLY A 88 -18.119 -5.144 1.459 1.00 63.10 H new ATOM 0 HA3 GLY A 88 -16.576 -4.397 1.825 1.00 63.10 H new ATOM 1238 N SER A 89 -18.268 -2.651 0.536 1.00 22.24 N ATOM 1239 CA SER A 89 -18.662 -1.469 -0.222 1.00 22.03 C ATOM 1240 C SER A 89 -17.423 -0.623 -0.541 1.00 54.34 C ATOM 1241 O SER A 89 -16.394 -0.757 0.124 1.00 25.32 O ATOM 1242 CB SER A 89 -19.724 -0.678 0.557 1.00 40.04 C ATOM 1243 OG SER A 89 -20.563 0.020 -0.338 1.00 71.25 O ATOM 0 H SER A 89 -18.627 -2.652 1.491 1.00 22.24 H new ATOM 0 HA SER A 89 -19.110 -1.765 -1.170 1.00 22.03 H new ATOM 0 HB2 SER A 89 -20.317 -1.357 1.169 1.00 40.04 H new ATOM 0 HB3 SER A 89 -19.240 0.024 1.236 1.00 40.04 H new ATOM 0 HG SER A 89 -21.237 0.520 0.168 1.00 71.25 H new ATOM 1249 N LEU A 90 -17.526 0.285 -1.518 1.00 3.44 N ATOM 1250 CA LEU A 90 -16.437 1.161 -1.966 1.00 5.35 C ATOM 1251 C LEU A 90 -15.745 1.885 -0.808 1.00 1.20 C ATOM 1252 O LEU A 90 -14.519 2.017 -0.803 1.00 73.11 O ATOM 1253 CB LEU A 90 -16.977 2.193 -2.970 1.00 24.33 C ATOM 1254 CG LEU A 90 -15.898 2.705 -3.936 1.00 31.11 C ATOM 1255 CD1 LEU A 90 -15.882 1.904 -5.220 1.00 43.12 C ATOM 1256 CD2 LEU A 90 -16.126 4.176 -4.275 1.00 11.05 C ATOM 0 H LEU A 90 -18.393 0.435 -2.033 1.00 3.44 H new ATOM 0 HA LEU A 90 -15.691 0.524 -2.442 1.00 5.35 H new ATOM 0 HB2 LEU A 90 -17.789 1.745 -3.543 1.00 24.33 H new ATOM 0 HB3 LEU A 90 -17.400 3.037 -2.425 1.00 24.33 H new ATOM 0 HG LEU A 90 -14.938 2.590 -3.432 1.00 31.11 H new ATOM 0 HD11 LEU A 90 -15.107 2.292 -5.881 1.00 43.12 H new ATOM 0 HD12 LEU A 90 -15.675 0.858 -4.994 1.00 43.12 H new ATOM 0 HD13 LEU A 90 -16.852 1.984 -5.711 1.00 43.12 H new ATOM 0 HD21 LEU A 90 -15.350 4.516 -4.960 1.00 11.05 H new ATOM 0 HD22 LEU A 90 -17.102 4.294 -4.745 1.00 11.05 H new ATOM 0 HD23 LEU A 90 -16.089 4.770 -3.362 1.00 11.05 H new ATOM 1268 N SER A 91 -16.515 2.386 0.157 1.00 73.44 N ATOM 1269 CA SER A 91 -16.008 3.081 1.329 1.00 55.45 C ATOM 1270 C SER A 91 -15.469 2.061 2.328 1.00 24.33 C ATOM 1271 O SER A 91 -14.284 2.112 2.655 1.00 1.35 O ATOM 1272 CB SER A 91 -17.119 3.957 1.927 1.00 63.21 C ATOM 1273 OG SER A 91 -18.381 3.306 1.895 1.00 73.23 O ATOM 0 H SER A 91 -17.532 2.316 0.141 1.00 73.44 H new ATOM 0 HA SER A 91 -15.184 3.741 1.057 1.00 55.45 H new ATOM 0 HB2 SER A 91 -16.867 4.210 2.957 1.00 63.21 H new ATOM 0 HB3 SER A 91 -17.180 4.894 1.374 1.00 63.21 H new ATOM 0 HG SER A 91 -19.062 3.893 2.285 1.00 73.23 H new ATOM 1279 N THR A 92 -16.278 1.071 2.714 1.00 63.33 N ATOM 1280 CA THR A 92 -15.945 0.007 3.660 1.00 50.23 C ATOM 1281 C THR A 92 -14.586 -0.631 3.342 1.00 21.14 C ATOM 1282 O THR A 92 -13.742 -0.755 4.227 1.00 24.22 O ATOM 1283 CB THR A 92 -17.076 -1.039 3.617 1.00 43.31 C ATOM 1284 OG1 THR A 92 -18.343 -0.412 3.742 1.00 23.45 O ATOM 1285 CG2 THR A 92 -16.945 -2.134 4.678 1.00 35.01 C ATOM 0 H THR A 92 -17.230 0.987 2.357 1.00 63.33 H new ATOM 0 HA THR A 92 -15.858 0.424 4.663 1.00 50.23 H new ATOM 0 HB THR A 92 -16.988 -1.525 2.645 1.00 43.31 H new ATOM 0 HG1 THR A 92 -19.049 -1.091 3.711 1.00 23.45 H new ATOM 0 HG21 THR A 92 -17.777 -2.832 4.585 1.00 35.01 H new ATOM 0 HG22 THR A 92 -16.005 -2.668 4.536 1.00 35.01 H new ATOM 0 HG23 THR A 92 -16.959 -1.683 5.670 1.00 35.01 H new ATOM 1293 N LYS A 93 -14.353 -0.984 2.071 1.00 45.14 N ATOM 1294 CA LYS A 93 -13.127 -1.618 1.586 1.00 13.24 C ATOM 1295 C LYS A 93 -11.871 -0.856 2.034 1.00 31.22 C ATOM 1296 O LYS A 93 -10.885 -1.493 2.407 1.00 55.35 O ATOM 1297 CB LYS A 93 -13.249 -1.821 0.052 1.00 33.44 C ATOM 1298 CG LYS A 93 -12.400 -2.992 -0.473 1.00 64.12 C ATOM 1299 CD LYS A 93 -12.638 -3.450 -1.937 1.00 4.42 C ATOM 1300 CE LYS A 93 -14.071 -3.878 -2.288 1.00 60.22 C ATOM 1301 NZ LYS A 93 -14.193 -4.322 -3.702 1.00 70.21 N ATOM 0 H LYS A 93 -15.037 -0.830 1.330 1.00 45.14 H new ATOM 0 HA LYS A 93 -13.005 -2.603 2.036 1.00 13.24 H new ATOM 0 HB2 LYS A 93 -14.294 -1.995 -0.203 1.00 33.44 H new ATOM 0 HB3 LYS A 93 -12.946 -0.905 -0.455 1.00 33.44 H new ATOM 0 HG2 LYS A 93 -11.350 -2.717 -0.373 1.00 64.12 H new ATOM 0 HG3 LYS A 93 -12.569 -3.849 0.179 1.00 64.12 H new ATOM 0 HD2 LYS A 93 -12.351 -2.635 -2.602 1.00 4.42 H new ATOM 0 HD3 LYS A 93 -11.969 -4.285 -2.148 1.00 4.42 H new ATOM 0 HE2 LYS A 93 -14.379 -4.688 -1.627 1.00 60.22 H new ATOM 0 HE3 LYS A 93 -14.751 -3.045 -2.110 1.00 60.22 H new ATOM 0 HZ1 LYS A 93 -15.038 -4.919 -3.807 1.00 70.21 H new ATOM 0 HZ2 LYS A 93 -14.278 -3.490 -4.321 1.00 70.21 H new ATOM 0 HZ3 LYS A 93 -13.349 -4.867 -3.969 1.00 70.21 H new ATOM 1315 N THR A 94 -11.898 0.483 2.060 1.00 31.32 N ATOM 1316 CA THR A 94 -10.758 1.308 2.470 1.00 4.03 C ATOM 1317 C THR A 94 -10.385 1.041 3.938 1.00 70.24 C ATOM 1318 O THR A 94 -9.203 0.927 4.269 1.00 53.05 O ATOM 1319 CB THR A 94 -11.017 2.802 2.178 1.00 33.42 C ATOM 1320 OG1 THR A 94 -12.026 3.371 2.989 1.00 34.13 O ATOM 1321 CG2 THR A 94 -11.386 3.030 0.707 1.00 51.23 C ATOM 0 H THR A 94 -12.719 1.027 1.795 1.00 31.32 H new ATOM 0 HA THR A 94 -9.892 1.023 1.872 1.00 4.03 H new ATOM 0 HB THR A 94 -10.076 3.300 2.413 1.00 33.42 H new ATOM 0 HG1 THR A 94 -12.740 2.715 3.131 1.00 34.13 H new ATOM 0 HG21 THR A 94 -11.562 4.092 0.536 1.00 51.23 H new ATOM 0 HG22 THR A 94 -10.569 2.690 0.070 1.00 51.23 H new ATOM 0 HG23 THR A 94 -12.290 2.470 0.468 1.00 51.23 H new ATOM 1329 N SER A 95 -11.370 0.901 4.827 1.00 40.13 N ATOM 1330 CA SER A 95 -11.142 0.630 6.241 1.00 14.45 C ATOM 1331 C SER A 95 -10.497 -0.748 6.406 1.00 53.14 C ATOM 1332 O SER A 95 -9.585 -0.923 7.216 1.00 10.12 O ATOM 1333 CB SER A 95 -12.483 0.686 6.983 1.00 4.23 C ATOM 1334 OG SER A 95 -13.187 1.866 6.633 1.00 64.31 O ATOM 0 H SER A 95 -12.357 0.974 4.580 1.00 40.13 H new ATOM 0 HA SER A 95 -10.469 1.379 6.659 1.00 14.45 H new ATOM 0 HB2 SER A 95 -13.081 -0.191 6.734 1.00 4.23 H new ATOM 0 HB3 SER A 95 -12.313 0.661 8.059 1.00 4.23 H new ATOM 0 HG SER A 95 -14.042 1.891 7.111 1.00 64.31 H new ATOM 1340 N SER A 96 -10.916 -1.713 5.589 1.00 51.22 N ATOM 1341 CA SER A 96 -10.412 -3.075 5.617 1.00 51.43 C ATOM 1342 C SER A 96 -8.908 -3.123 5.292 1.00 31.03 C ATOM 1343 O SER A 96 -8.208 -4.049 5.709 1.00 3.05 O ATOM 1344 CB SER A 96 -11.240 -3.916 4.651 1.00 63.21 C ATOM 1345 OG SER A 96 -12.614 -3.562 4.627 1.00 53.24 O ATOM 0 H SER A 96 -11.630 -1.561 4.876 1.00 51.22 H new ATOM 0 HA SER A 96 -10.513 -3.488 6.621 1.00 51.43 H new ATOM 0 HB2 SER A 96 -10.829 -3.812 3.647 1.00 63.21 H new ATOM 0 HB3 SER A 96 -11.148 -4.967 4.926 1.00 63.21 H new ATOM 0 HG SER A 96 -13.160 -4.374 4.570 1.00 53.24 H new ATOM 1351 N ILE A 97 -8.411 -2.163 4.504 1.00 11.00 N ATOM 1352 CA ILE A 97 -7.006 -2.037 4.126 1.00 74.40 C ATOM 1353 C ILE A 97 -6.274 -1.435 5.319 1.00 61.04 C ATOM 1354 O ILE A 97 -5.214 -1.932 5.683 1.00 53.22 O ATOM 1355 CB ILE A 97 -6.878 -1.119 2.896 1.00 20.33 C ATOM 1356 CG1 ILE A 97 -7.395 -1.838 1.643 1.00 53.42 C ATOM 1357 CG2 ILE A 97 -5.458 -0.593 2.623 1.00 53.45 C ATOM 1358 CD1 ILE A 97 -8.069 -0.862 0.672 1.00 74.23 C ATOM 0 H ILE A 97 -8.997 -1.432 4.101 1.00 11.00 H new ATOM 0 HA ILE A 97 -6.579 -3.006 3.866 1.00 74.40 H new ATOM 0 HB ILE A 97 -7.486 -0.245 3.132 1.00 20.33 H new ATOM 0 HG12 ILE A 97 -6.566 -2.338 1.141 1.00 53.42 H new ATOM 0 HG13 ILE A 97 -8.105 -2.612 1.934 1.00 53.42 H new ATOM 0 HG21 ILE A 97 -5.470 0.043 1.738 1.00 53.45 H new ATOM 0 HG22 ILE A 97 -5.113 -0.016 3.481 1.00 53.45 H new ATOM 0 HG23 ILE A 97 -4.784 -1.434 2.457 1.00 53.45 H new ATOM 0 HD11 ILE A 97 -8.423 -1.406 -0.204 1.00 74.23 H new ATOM 0 HD12 ILE A 97 -8.913 -0.382 1.166 1.00 74.23 H new ATOM 0 HD13 ILE A 97 -7.351 -0.103 0.362 1.00 74.23 H new ATOM 1370 N ALA A 98 -6.831 -0.383 5.928 1.00 42.40 N ATOM 1371 CA ALA A 98 -6.252 0.307 7.074 1.00 52.10 C ATOM 1372 C ALA A 98 -5.916 -0.666 8.203 1.00 12.31 C ATOM 1373 O ALA A 98 -4.861 -0.565 8.830 1.00 21.13 O ATOM 1374 CB ALA A 98 -7.230 1.380 7.556 1.00 43.03 C ATOM 0 H ALA A 98 -7.719 0.018 5.626 1.00 42.40 H new ATOM 0 HA ALA A 98 -5.317 0.775 6.767 1.00 52.10 H new ATOM 0 HB1 ALA A 98 -6.805 1.901 8.414 1.00 43.03 H new ATOM 0 HB2 ALA A 98 -7.413 2.093 6.752 1.00 43.03 H new ATOM 0 HB3 ALA A 98 -8.170 0.911 7.846 1.00 43.03 H new ATOM 1380 N SER A 99 -6.807 -1.624 8.439 1.00 63.31 N ATOM 1381 CA SER A 99 -6.625 -2.632 9.474 1.00 2.22 C ATOM 1382 C SER A 99 -5.615 -3.705 9.031 1.00 12.44 C ATOM 1383 O SER A 99 -4.897 -4.250 9.868 1.00 73.33 O ATOM 1384 CB SER A 99 -7.989 -3.212 9.837 1.00 61.01 C ATOM 1385 OG SER A 99 -8.837 -2.183 10.319 1.00 71.45 O ATOM 0 H SER A 99 -7.677 -1.722 7.916 1.00 63.31 H new ATOM 0 HA SER A 99 -6.199 -2.179 10.369 1.00 2.22 H new ATOM 0 HB2 SER A 99 -8.437 -3.685 8.963 1.00 61.01 H new ATOM 0 HB3 SER A 99 -7.875 -3.986 10.596 1.00 61.01 H new ATOM 0 HG SER A 99 -9.712 -2.561 10.549 1.00 71.45 H new ATOM 1391 N ALA A 100 -5.535 -4.026 7.732 1.00 61.44 N ATOM 1392 CA ALA A 100 -4.568 -5.014 7.257 1.00 32.32 C ATOM 1393 C ALA A 100 -3.152 -4.406 7.287 1.00 53.32 C ATOM 1394 O ALA A 100 -2.169 -5.094 7.555 1.00 34.22 O ATOM 1395 CB ALA A 100 -4.943 -5.465 5.841 1.00 32.43 C ATOM 0 H ALA A 100 -6.122 -3.620 7.003 1.00 61.44 H new ATOM 0 HA ALA A 100 -4.582 -5.887 7.909 1.00 32.32 H new ATOM 0 HB1 ALA A 100 -4.220 -6.201 5.490 1.00 32.43 H new ATOM 0 HB2 ALA A 100 -5.938 -5.910 5.852 1.00 32.43 H new ATOM 0 HB3 ALA A 100 -4.938 -4.605 5.172 1.00 32.43 H new ATOM 1401 N LEU A 101 -3.048 -3.100 7.014 1.00 74.41 N ATOM 1402 CA LEU A 101 -1.824 -2.305 6.977 1.00 34.24 C ATOM 1403 C LEU A 101 -1.111 -2.331 8.319 1.00 70.51 C ATOM 1404 O LEU A 101 0.096 -2.568 8.364 1.00 34.53 O ATOM 1405 CB LEU A 101 -2.163 -0.845 6.616 1.00 33.41 C ATOM 1406 CG LEU A 101 -2.025 -0.553 5.118 1.00 2.44 C ATOM 1407 CD1 LEU A 101 -2.766 0.728 4.727 1.00 15.22 C ATOM 1408 CD2 LEU A 101 -0.555 -0.354 4.766 1.00 22.31 C ATOM 0 H LEU A 101 -3.872 -2.538 6.800 1.00 74.41 H new ATOM 0 HA LEU A 101 -1.165 -2.736 6.223 1.00 34.24 H new ATOM 0 HB2 LEU A 101 -3.183 -0.626 6.931 1.00 33.41 H new ATOM 0 HB3 LEU A 101 -1.507 -0.177 7.173 1.00 33.41 H new ATOM 0 HG LEU A 101 -2.451 -1.401 4.582 1.00 2.44 H new ATOM 0 HD11 LEU A 101 -2.647 0.905 3.658 1.00 15.22 H new ATOM 0 HD12 LEU A 101 -3.825 0.622 4.962 1.00 15.22 H new ATOM 0 HD13 LEU A 101 -2.354 1.571 5.282 1.00 15.22 H new ATOM 0 HD21 LEU A 101 -0.461 -0.147 3.700 1.00 22.31 H new ATOM 0 HD22 LEU A 101 -0.155 0.485 5.336 1.00 22.31 H new ATOM 0 HD23 LEU A 101 0.003 -1.258 5.010 1.00 22.31 H new ATOM 1420 N SER A 102 -1.836 -2.053 9.402 1.00 43.34 N ATOM 1421 CA SER A 102 -1.269 -2.045 10.742 1.00 22.31 C ATOM 1422 C SER A 102 -0.683 -3.414 11.066 1.00 71.44 C ATOM 1423 O SER A 102 0.469 -3.506 11.499 1.00 32.12 O ATOM 1424 CB SER A 102 -2.330 -1.608 11.753 1.00 34.12 C ATOM 1425 OG SER A 102 -3.618 -2.073 11.402 1.00 44.45 O ATOM 0 H SER A 102 -2.830 -1.828 9.371 1.00 43.34 H new ATOM 0 HA SER A 102 -0.454 -1.324 10.797 1.00 22.31 H new ATOM 0 HB2 SER A 102 -2.066 -1.984 12.741 1.00 34.12 H new ATOM 0 HB3 SER A 102 -2.342 -0.520 11.818 1.00 34.12 H new ATOM 0 HG SER A 102 -3.541 -2.935 10.943 1.00 44.45 H new ATOM 1431 N ASN A 103 -1.450 -4.479 10.808 1.00 31.24 N ATOM 1432 CA ASN A 103 -0.984 -5.832 11.066 1.00 71.03 C ATOM 1433 C ASN A 103 0.288 -6.112 10.261 1.00 12.33 C ATOM 1434 O ASN A 103 1.253 -6.618 10.826 1.00 62.32 O ATOM 1435 CB ASN A 103 -2.077 -6.860 10.777 1.00 64.24 C ATOM 1436 CG ASN A 103 -1.649 -8.210 11.333 1.00 24.32 C ATOM 1437 OD1 ASN A 103 -0.924 -8.956 10.683 1.00 65.21 O ATOM 1438 ND2 ASN A 103 -2.062 -8.525 12.551 1.00 74.40 N ATOM 0 H ASN A 103 -2.392 -4.423 10.422 1.00 31.24 H new ATOM 0 HA ASN A 103 -0.741 -5.921 12.125 1.00 71.03 H new ATOM 0 HB2 ASN A 103 -3.017 -6.547 11.231 1.00 64.24 H new ATOM 0 HB3 ASN A 103 -2.250 -6.933 9.703 1.00 64.24 H new ATOM 0 HD21 ASN A 103 -1.778 -9.409 12.973 1.00 74.40 H new ATOM 0 HD22 ASN A 103 -2.665 -7.884 13.067 1.00 74.40 H new ATOM 1445 N ALA A 104 0.328 -5.729 8.978 1.00 73.23 N ATOM 1446 CA ALA A 104 1.488 -5.924 8.111 1.00 45.41 C ATOM 1447 C ALA A 104 2.725 -5.212 8.683 1.00 52.33 C ATOM 1448 O ALA A 104 3.826 -5.765 8.643 1.00 22.54 O ATOM 1449 CB ALA A 104 1.174 -5.435 6.690 1.00 22.45 C ATOM 0 H ALA A 104 -0.455 -5.270 8.512 1.00 73.23 H new ATOM 0 HA ALA A 104 1.714 -6.989 8.065 1.00 45.41 H new ATOM 0 HB1 ALA A 104 2.045 -5.585 6.053 1.00 22.45 H new ATOM 0 HB2 ALA A 104 0.330 -5.997 6.290 1.00 22.45 H new ATOM 0 HB3 ALA A 104 0.923 -4.375 6.717 1.00 22.45 H new ATOM 1455 N PHE A 105 2.568 -3.997 9.227 1.00 71.12 N ATOM 1456 CA PHE A 105 3.670 -3.238 9.815 1.00 21.13 C ATOM 1457 C PHE A 105 4.221 -4.021 11.015 1.00 3.02 C ATOM 1458 O PHE A 105 5.430 -4.252 11.132 1.00 74.31 O ATOM 1459 CB PHE A 105 3.207 -1.822 10.226 1.00 34.51 C ATOM 1460 CG PHE A 105 4.155 -0.707 9.807 1.00 52.14 C ATOM 1461 CD1 PHE A 105 5.537 -0.794 10.077 1.00 14.41 C ATOM 1462 CD2 PHE A 105 3.660 0.426 9.130 1.00 24.31 C ATOM 1463 CE1 PHE A 105 6.413 0.225 9.667 1.00 45.22 C ATOM 1464 CE2 PHE A 105 4.539 1.447 8.726 1.00 40.44 C ATOM 1465 CZ PHE A 105 5.916 1.346 8.984 1.00 42.30 C ATOM 0 H PHE A 105 1.670 -3.516 9.270 1.00 71.12 H new ATOM 0 HA PHE A 105 4.463 -3.109 9.078 1.00 21.13 H new ATOM 0 HB2 PHE A 105 2.226 -1.632 9.790 1.00 34.51 H new ATOM 0 HB3 PHE A 105 3.086 -1.792 11.309 1.00 34.51 H new ATOM 0 HD1 PHE A 105 5.926 -1.653 10.604 1.00 14.41 H new ATOM 0 HD2 PHE A 105 2.604 0.510 8.921 1.00 24.31 H new ATOM 0 HE1 PHE A 105 7.469 0.146 9.877 1.00 45.22 H new ATOM 0 HE2 PHE A 105 4.152 2.315 8.213 1.00 40.44 H new ATOM 0 HZ PHE A 105 6.588 2.126 8.659 1.00 42.30 H new ATOM 1475 N LEU A 106 3.328 -4.488 11.895 1.00 52.24 N ATOM 1476 CA LEU A 106 3.714 -5.253 13.074 1.00 74.42 C ATOM 1477 C LEU A 106 4.360 -6.578 12.694 1.00 62.42 C ATOM 1478 O LEU A 106 5.293 -7.018 13.366 1.00 31.51 O ATOM 1479 CB LEU A 106 2.518 -5.506 14.001 1.00 11.41 C ATOM 1480 CG LEU A 106 1.930 -4.237 14.642 1.00 43.41 C ATOM 1481 CD1 LEU A 106 0.872 -4.648 15.664 1.00 40.44 C ATOM 1482 CD2 LEU A 106 2.978 -3.390 15.360 1.00 5.23 C ATOM 0 H LEU A 106 2.322 -4.344 11.806 1.00 52.24 H new ATOM 0 HA LEU A 106 4.446 -4.650 13.611 1.00 74.42 H new ATOM 0 HB2 LEU A 106 1.734 -6.008 13.434 1.00 11.41 H new ATOM 0 HB3 LEU A 106 2.826 -6.189 14.793 1.00 11.41 H new ATOM 0 HG LEU A 106 1.511 -3.635 13.836 1.00 43.41 H new ATOM 0 HD11 LEU A 106 0.447 -3.757 16.126 1.00 40.44 H new ATOM 0 HD12 LEU A 106 0.082 -5.210 15.165 1.00 40.44 H new ATOM 0 HD13 LEU A 106 1.330 -5.271 16.432 1.00 40.44 H new ATOM 0 HD21 LEU A 106 2.501 -2.510 15.791 1.00 5.23 H new ATOM 0 HD22 LEU A 106 3.439 -3.978 16.154 1.00 5.23 H new ATOM 0 HD23 LEU A 106 3.743 -3.077 14.649 1.00 5.23 H new ATOM 1494 N GLN A 107 3.881 -7.229 11.641 1.00 73.43 N ATOM 1495 CA GLN A 107 4.405 -8.497 11.163 1.00 43.34 C ATOM 1496 C GLN A 107 5.804 -8.344 10.566 1.00 11.32 C ATOM 1497 O GLN A 107 6.581 -9.296 10.643 1.00 12.04 O ATOM 1498 CB GLN A 107 3.450 -9.051 10.102 1.00 72.03 C ATOM 1499 CG GLN A 107 2.256 -9.796 10.705 1.00 63.40 C ATOM 1500 CD GLN A 107 2.630 -11.205 11.159 1.00 32.41 C ATOM 1501 OE1 GLN A 107 3.369 -11.926 10.492 1.00 52.33 O ATOM 1502 NE2 GLN A 107 2.146 -11.649 12.306 1.00 43.15 N ATOM 0 H GLN A 107 3.100 -6.880 11.085 1.00 73.43 H new ATOM 0 HA GLN A 107 4.483 -9.181 12.008 1.00 43.34 H new ATOM 0 HB2 GLN A 107 3.085 -8.230 9.485 1.00 72.03 H new ATOM 0 HB3 GLN A 107 3.998 -9.726 9.444 1.00 72.03 H new ATOM 0 HG2 GLN A 107 1.869 -9.233 11.554 1.00 63.40 H new ATOM 0 HG3 GLN A 107 1.455 -9.853 9.968 1.00 63.40 H new ATOM 0 HE21 GLN A 107 1.532 -11.056 12.864 1.00 43.15 H new ATOM 0 HE22 GLN A 107 2.386 -12.585 12.633 1.00 43.15 H new ATOM 1511 N THR A 108 6.142 -7.183 9.999 1.00 31.55 N ATOM 1512 CA THR A 108 7.451 -6.970 9.402 1.00 34.50 C ATOM 1513 C THR A 108 8.457 -6.419 10.417 1.00 41.44 C ATOM 1514 O THR A 108 9.522 -7.026 10.549 1.00 50.41 O ATOM 1515 CB THR A 108 7.338 -6.145 8.108 1.00 55.41 C ATOM 1516 OG1 THR A 108 6.386 -5.099 8.202 1.00 11.45 O ATOM 1517 CG2 THR A 108 6.938 -7.024 6.921 1.00 24.43 C ATOM 0 H THR A 108 5.520 -6.376 9.944 1.00 31.55 H new ATOM 0 HA THR A 108 7.859 -7.935 9.103 1.00 34.50 H new ATOM 0 HB THR A 108 8.328 -5.716 7.956 1.00 55.41 H new ATOM 0 HG1 THR A 108 5.483 -5.479 8.218 1.00 11.45 H new ATOM 0 HG21 THR A 108 6.867 -6.411 6.022 1.00 24.43 H new ATOM 0 HG22 THR A 108 7.690 -7.799 6.773 1.00 24.43 H new ATOM 0 HG23 THR A 108 5.972 -7.488 7.121 1.00 24.43 H new ATOM 1525 N THR A 109 8.150 -5.340 11.157 1.00 5.00 N ATOM 1526 CA THR A 109 9.097 -4.775 12.131 1.00 72.13 C ATOM 1527 C THR A 109 8.585 -4.629 13.563 1.00 2.35 C ATOM 1528 O THR A 109 9.411 -4.575 14.476 1.00 21.22 O ATOM 1529 CB THR A 109 9.679 -3.449 11.626 1.00 20.20 C ATOM 1530 OG1 THR A 109 8.674 -2.485 11.370 1.00 73.54 O ATOM 1531 CG2 THR A 109 10.524 -3.634 10.366 1.00 44.21 C ATOM 0 H THR A 109 7.260 -4.845 11.100 1.00 5.00 H new ATOM 0 HA THR A 109 9.881 -5.529 12.202 1.00 72.13 H new ATOM 0 HB THR A 109 10.318 -3.086 12.431 1.00 20.20 H new ATOM 0 HG1 THR A 109 9.089 -1.656 11.052 1.00 73.54 H new ATOM 0 HG21 THR A 109 10.915 -2.668 10.045 1.00 44.21 H new ATOM 0 HG22 THR A 109 11.353 -4.308 10.580 1.00 44.21 H new ATOM 0 HG23 THR A 109 9.907 -4.057 9.573 1.00 44.21 H new ATOM 1539 N GLY A 110 7.272 -4.559 13.804 1.00 22.22 N ATOM 1540 CA GLY A 110 6.753 -4.430 15.167 1.00 51.40 C ATOM 1541 C GLY A 110 6.326 -3.024 15.576 1.00 62.01 C ATOM 1542 O GLY A 110 5.893 -2.856 16.715 1.00 42.22 O ATOM 0 H GLY A 110 6.555 -4.589 13.079 1.00 22.22 H new ATOM 0 HA2 GLY A 110 5.898 -5.097 15.276 1.00 51.40 H new ATOM 0 HA3 GLY A 110 7.518 -4.776 15.863 1.00 51.40 H new ATOM 1546 N VAL A 111 6.424 -2.028 14.696 1.00 64.11 N ATOM 1547 CA VAL A 111 6.018 -0.650 14.972 1.00 2.11 C ATOM 1548 C VAL A 111 4.846 -0.328 14.057 1.00 40.32 C ATOM 1549 O VAL A 111 4.805 -0.816 12.927 1.00 2.44 O ATOM 1550 CB VAL A 111 7.183 0.347 14.808 1.00 15.23 C ATOM 1551 CG1 VAL A 111 8.034 0.339 16.081 1.00 51.02 C ATOM 1552 CG2 VAL A 111 8.064 0.078 13.579 1.00 63.34 C ATOM 0 H VAL A 111 6.794 -2.158 13.755 1.00 64.11 H new ATOM 0 HA VAL A 111 5.713 -0.553 16.014 1.00 2.11 H new ATOM 0 HB VAL A 111 6.739 1.329 14.645 1.00 15.23 H new ATOM 0 HG11 VAL A 111 8.860 1.042 15.971 1.00 51.02 H new ATOM 0 HG12 VAL A 111 7.419 0.632 16.932 1.00 51.02 H new ATOM 0 HG13 VAL A 111 8.430 -0.663 16.247 1.00 51.02 H new ATOM 0 HG21 VAL A 111 8.861 0.821 13.533 1.00 63.34 H new ATOM 0 HG22 VAL A 111 8.500 -0.918 13.655 1.00 63.34 H new ATOM 0 HG23 VAL A 111 7.457 0.140 12.676 1.00 63.34 H new ATOM 1562 N VAL A 112 3.846 0.392 14.558 1.00 63.12 N ATOM 1563 CA VAL A 112 2.674 0.792 13.795 1.00 73.51 C ATOM 1564 C VAL A 112 2.537 2.306 13.931 1.00 64.22 C ATOM 1565 O VAL A 112 2.689 2.841 15.029 1.00 61.45 O ATOM 1566 CB VAL A 112 1.442 -0.027 14.229 1.00 4.13 C ATOM 1567 CG1 VAL A 112 1.054 0.141 15.704 1.00 61.23 C ATOM 1568 CG2 VAL A 112 0.239 0.297 13.340 1.00 61.11 C ATOM 0 H VAL A 112 3.830 0.718 15.524 1.00 63.12 H new ATOM 0 HA VAL A 112 2.773 0.571 12.732 1.00 73.51 H new ATOM 0 HB VAL A 112 1.735 -1.070 14.108 1.00 4.13 H new ATOM 0 HG11 VAL A 112 0.178 -0.470 15.922 1.00 61.23 H new ATOM 0 HG12 VAL A 112 1.883 -0.175 16.337 1.00 61.23 H new ATOM 0 HG13 VAL A 112 0.824 1.188 15.903 1.00 61.23 H new ATOM 0 HG21 VAL A 112 -0.620 -0.291 13.662 1.00 61.11 H new ATOM 0 HG22 VAL A 112 0.003 1.358 13.420 1.00 61.11 H new ATOM 0 HG23 VAL A 112 0.476 0.055 12.304 1.00 61.11 H new ATOM 1578 N ASN A 113 2.252 3.009 12.832 1.00 42.11 N ATOM 1579 CA ASN A 113 2.093 4.456 12.848 1.00 42.33 C ATOM 1580 C ASN A 113 0.771 4.828 12.202 1.00 52.03 C ATOM 1581 O ASN A 113 0.634 4.825 10.979 1.00 40.23 O ATOM 1582 CB ASN A 113 3.295 5.178 12.221 1.00 71.11 C ATOM 1583 CG ASN A 113 4.284 5.579 13.309 1.00 34.11 C ATOM 1584 OD1 ASN A 113 4.144 6.643 13.913 1.00 50.42 O ATOM 1585 ND2 ASN A 113 5.247 4.735 13.622 1.00 44.13 N ATOM 0 H ASN A 113 2.126 2.588 11.911 1.00 42.11 H new ATOM 0 HA ASN A 113 2.068 4.797 13.883 1.00 42.33 H new ATOM 0 HB2 ASN A 113 3.783 4.527 11.495 1.00 71.11 H new ATOM 0 HB3 ASN A 113 2.958 6.062 11.680 1.00 71.11 H new ATOM 0 HD21 ASN A 113 5.895 4.958 14.378 1.00 44.13 H new ATOM 0 HD22 ASN A 113 5.344 3.859 13.108 1.00 44.13 H new ATOM 1592 N GLN A 114 -0.197 5.174 13.046 1.00 1.34 N ATOM 1593 CA GLN A 114 -1.546 5.586 12.696 1.00 52.22 C ATOM 1594 C GLN A 114 -1.588 6.634 11.571 1.00 75.53 C ATOM 1595 O GLN A 114 -2.349 6.401 10.626 1.00 11.20 O ATOM 1596 CB GLN A 114 -2.248 6.112 13.963 1.00 33.55 C ATOM 1597 CG GLN A 114 -3.058 5.056 14.731 1.00 12.52 C ATOM 1598 CD GLN A 114 -2.371 3.699 14.919 1.00 24.12 C ATOM 1599 OE1 GLN A 114 -1.199 3.595 15.273 1.00 13.43 O ATOM 1600 NE2 GLN A 114 -3.099 2.624 14.680 1.00 41.12 N ATOM 0 H GLN A 114 -0.047 5.173 14.055 1.00 1.34 H new ATOM 0 HA GLN A 114 -2.071 4.714 12.305 1.00 52.22 H new ATOM 0 HB2 GLN A 114 -1.496 6.531 14.632 1.00 33.55 H new ATOM 0 HB3 GLN A 114 -2.914 6.928 13.681 1.00 33.55 H new ATOM 0 HG2 GLN A 114 -3.304 5.457 15.714 1.00 12.52 H new ATOM 0 HG3 GLN A 114 -4.000 4.896 14.207 1.00 12.52 H new ATOM 0 HE21 GLN A 114 -4.071 2.721 14.387 1.00 41.12 H new ATOM 0 HE22 GLN A 114 -2.689 1.696 14.789 1.00 41.12 H new ATOM 1609 N PRO A 115 -0.819 7.743 11.598 1.00 12.31 N ATOM 1610 CA PRO A 115 -0.877 8.736 10.530 1.00 25.42 C ATOM 1611 C PRO A 115 -0.230 8.230 9.238 1.00 2.21 C ATOM 1612 O PRO A 115 -0.634 8.652 8.154 1.00 55.42 O ATOM 1613 CB PRO A 115 -0.177 9.979 11.065 1.00 4.22 C ATOM 1614 CG PRO A 115 0.816 9.412 12.068 1.00 21.30 C ATOM 1615 CD PRO A 115 0.121 8.176 12.626 1.00 64.22 C ATOM 0 HA PRO A 115 -1.911 8.955 10.262 1.00 25.42 H new ATOM 0 HB2 PRO A 115 0.324 10.533 10.271 1.00 4.22 H new ATOM 0 HB3 PRO A 115 -0.880 10.665 11.538 1.00 4.22 H new ATOM 0 HG2 PRO A 115 1.762 9.155 11.590 1.00 21.30 H new ATOM 0 HG3 PRO A 115 1.041 10.131 12.855 1.00 21.30 H new ATOM 0 HD2 PRO A 115 0.843 7.391 12.850 1.00 64.22 H new ATOM 0 HD3 PRO A 115 -0.398 8.407 13.556 1.00 64.22 H new ATOM 1623 N PHE A 116 0.777 7.354 9.318 1.00 20.21 N ATOM 1624 CA PHE A 116 1.420 6.813 8.126 1.00 72.33 C ATOM 1625 C PHE A 116 0.380 5.964 7.393 1.00 12.34 C ATOM 1626 O PHE A 116 0.233 6.052 6.183 1.00 33.44 O ATOM 1627 CB PHE A 116 2.665 5.999 8.502 1.00 75.43 C ATOM 1628 CG PHE A 116 3.586 5.737 7.328 1.00 53.34 C ATOM 1629 CD1 PHE A 116 3.545 4.509 6.640 1.00 42.24 C ATOM 1630 CD2 PHE A 116 4.479 6.742 6.910 1.00 74.01 C ATOM 1631 CE1 PHE A 116 4.411 4.285 5.552 1.00 4.21 C ATOM 1632 CE2 PHE A 116 5.329 6.520 5.814 1.00 75.33 C ATOM 1633 CZ PHE A 116 5.298 5.292 5.135 1.00 63.55 C ATOM 0 H PHE A 116 1.161 7.007 10.197 1.00 20.21 H new ATOM 0 HA PHE A 116 1.767 7.614 7.473 1.00 72.33 H new ATOM 0 HB2 PHE A 116 3.218 6.530 9.277 1.00 75.43 H new ATOM 0 HB3 PHE A 116 2.352 5.046 8.929 1.00 75.43 H new ATOM 0 HD1 PHE A 116 2.851 3.740 6.946 1.00 42.24 H new ATOM 0 HD2 PHE A 116 4.511 7.686 7.433 1.00 74.01 H new ATOM 0 HE1 PHE A 116 4.393 3.336 5.037 1.00 4.21 H new ATOM 0 HE2 PHE A 116 6.008 7.296 5.493 1.00 75.33 H new ATOM 0 HZ PHE A 116 5.954 5.121 4.294 1.00 63.55 H new ATOM 1643 N ILE A 117 -0.390 5.165 8.132 1.00 61.33 N ATOM 1644 CA ILE A 117 -1.432 4.327 7.556 1.00 74.54 C ATOM 1645 C ILE A 117 -2.556 5.240 7.042 1.00 10.24 C ATOM 1646 O ILE A 117 -3.103 4.991 5.969 1.00 42.24 O ATOM 1647 CB ILE A 117 -1.879 3.289 8.608 1.00 61.24 C ATOM 1648 CG1 ILE A 117 -0.690 2.330 8.859 1.00 41.03 C ATOM 1649 CG2 ILE A 117 -3.124 2.507 8.152 1.00 52.31 C ATOM 1650 CD1 ILE A 117 -0.878 1.409 10.059 1.00 11.53 C ATOM 0 H ILE A 117 -0.306 5.083 9.145 1.00 61.33 H new ATOM 0 HA ILE A 117 -1.080 3.753 6.699 1.00 74.54 H new ATOM 0 HB ILE A 117 -2.160 3.802 9.528 1.00 61.24 H new ATOM 0 HG12 ILE A 117 -0.533 1.722 7.968 1.00 41.03 H new ATOM 0 HG13 ILE A 117 0.215 2.920 9.005 1.00 41.03 H new ATOM 0 HG21 ILE A 117 -3.404 1.788 8.922 1.00 52.31 H new ATOM 0 HG22 ILE A 117 -3.949 3.200 7.986 1.00 52.31 H new ATOM 0 HG23 ILE A 117 -2.902 1.978 7.225 1.00 52.31 H new ATOM 0 HD11 ILE A 117 -0.002 0.769 10.167 1.00 11.53 H new ATOM 0 HD12 ILE A 117 -1.004 2.008 10.961 1.00 11.53 H new ATOM 0 HD13 ILE A 117 -1.763 0.791 9.908 1.00 11.53 H new ATOM 1662 N ASN A 118 -2.876 6.315 7.773 1.00 71.14 N ATOM 1663 CA ASN A 118 -3.912 7.273 7.407 1.00 10.22 C ATOM 1664 C ASN A 118 -3.637 7.840 6.017 1.00 51.23 C ATOM 1665 O ASN A 118 -4.491 7.700 5.147 1.00 43.41 O ATOM 1666 CB ASN A 118 -4.015 8.383 8.460 1.00 65.33 C ATOM 1667 CG ASN A 118 -5.020 9.485 8.147 1.00 23.23 C ATOM 1668 OD1 ASN A 118 -4.668 10.659 8.214 1.00 62.13 O ATOM 1669 ND2 ASN A 118 -6.281 9.177 7.912 1.00 3.13 N ATOM 0 H ASN A 118 -2.410 6.542 8.651 1.00 71.14 H new ATOM 0 HA ASN A 118 -4.874 6.761 7.375 1.00 10.22 H new ATOM 0 HB2 ASN A 118 -4.282 7.931 9.416 1.00 65.33 H new ATOM 0 HB3 ASN A 118 -3.031 8.836 8.585 1.00 65.33 H new ATOM 0 HD21 ASN A 118 -6.971 9.917 7.784 1.00 3.13 H new ATOM 0 HD22 ASN A 118 -6.566 8.199 7.858 1.00 3.13 H new ATOM 1676 N GLU A 119 -2.448 8.396 5.766 1.00 5.41 N ATOM 1677 CA GLU A 119 -2.103 8.979 4.465 1.00 62.35 C ATOM 1678 C GLU A 119 -2.227 7.979 3.305 1.00 42.13 C ATOM 1679 O GLU A 119 -2.567 8.374 2.190 1.00 43.22 O ATOM 1680 CB GLU A 119 -0.703 9.623 4.514 1.00 14.41 C ATOM 1681 CG GLU A 119 0.440 8.714 4.028 1.00 41.23 C ATOM 1682 CD GLU A 119 1.839 9.270 4.318 1.00 44.20 C ATOM 1683 OE1 GLU A 119 2.155 9.613 5.477 1.00 62.14 O ATOM 1684 OE2 GLU A 119 2.653 9.429 3.372 1.00 15.41 O ATOM 0 H GLU A 119 -1.699 8.455 6.456 1.00 5.41 H new ATOM 0 HA GLU A 119 -2.836 9.760 4.262 1.00 62.35 H new ATOM 0 HB2 GLU A 119 -0.713 10.528 3.906 1.00 14.41 H new ATOM 0 HB3 GLU A 119 -0.495 9.929 5.539 1.00 14.41 H new ATOM 0 HG2 GLU A 119 0.342 7.738 4.502 1.00 41.23 H new ATOM 0 HG3 GLU A 119 0.336 8.559 2.954 1.00 41.23 H new ATOM 1691 N ILE A 120 -1.935 6.700 3.552 1.00 14.03 N ATOM 1692 CA ILE A 120 -2.013 5.641 2.555 1.00 2.42 C ATOM 1693 C ILE A 120 -3.484 5.422 2.236 1.00 73.53 C ATOM 1694 O ILE A 120 -3.896 5.455 1.078 1.00 50.00 O ATOM 1695 CB ILE A 120 -1.343 4.355 3.102 1.00 72.21 C ATOM 1696 CG1 ILE A 120 0.171 4.546 3.323 1.00 15.11 C ATOM 1697 CG2 ILE A 120 -1.622 3.122 2.226 1.00 0.31 C ATOM 1698 CD1 ILE A 120 1.011 4.503 2.052 1.00 24.10 C ATOM 0 H ILE A 120 -1.633 6.370 4.469 1.00 14.03 H new ATOM 0 HA ILE A 120 -1.482 5.913 1.642 1.00 2.42 H new ATOM 0 HB ILE A 120 -1.802 4.166 4.073 1.00 72.21 H new ATOM 0 HG12 ILE A 120 0.334 5.503 3.818 1.00 15.11 H new ATOM 0 HG13 ILE A 120 0.526 3.771 4.003 1.00 15.11 H new ATOM 0 HG21 ILE A 120 -1.129 2.251 2.657 1.00 0.31 H new ATOM 0 HG22 ILE A 120 -2.696 2.944 2.179 1.00 0.31 H new ATOM 0 HG23 ILE A 120 -1.239 3.296 1.220 1.00 0.31 H new ATOM 0 HD11 ILE A 120 2.061 4.646 2.305 1.00 24.10 H new ATOM 0 HD12 ILE A 120 0.884 3.537 1.564 1.00 24.10 H new ATOM 0 HD13 ILE A 120 0.689 5.295 1.376 1.00 24.10 H new ATOM 1710 N THR A 121 -4.282 5.208 3.278 1.00 32.42 N ATOM 1711 CA THR A 121 -5.712 4.956 3.134 1.00 24.01 C ATOM 1712 C THR A 121 -6.437 6.134 2.483 1.00 41.43 C ATOM 1713 O THR A 121 -7.338 5.905 1.676 1.00 73.14 O ATOM 1714 CB THR A 121 -6.306 4.529 4.480 1.00 50.13 C ATOM 1715 OG1 THR A 121 -6.029 5.453 5.511 1.00 74.14 O ATOM 1716 CG2 THR A 121 -5.731 3.172 4.902 1.00 32.21 C ATOM 0 H THR A 121 -3.956 5.204 4.245 1.00 32.42 H new ATOM 0 HA THR A 121 -5.860 4.125 2.444 1.00 24.01 H new ATOM 0 HB THR A 121 -7.385 4.475 4.337 1.00 50.13 H new ATOM 0 HG1 THR A 121 -5.504 6.198 5.150 1.00 74.14 H new ATOM 0 HG21 THR A 121 -6.159 2.877 5.860 1.00 32.21 H new ATOM 0 HG22 THR A 121 -5.976 2.423 4.149 1.00 32.21 H new ATOM 0 HG23 THR A 121 -4.648 3.250 4.997 1.00 32.21 H new ATOM 1724 N GLN A 122 -6.007 7.364 2.780 1.00 53.40 N ATOM 1725 CA GLN A 122 -6.559 8.596 2.243 1.00 2.15 C ATOM 1726 C GLN A 122 -6.451 8.579 0.726 1.00 72.23 C ATOM 1727 O GLN A 122 -7.420 8.898 0.045 1.00 51.43 O ATOM 1728 CB GLN A 122 -5.807 9.792 2.838 1.00 0.44 C ATOM 1729 CG GLN A 122 -6.233 10.130 4.276 1.00 2.33 C ATOM 1730 CD GLN A 122 -7.383 11.124 4.256 1.00 64.44 C ATOM 1731 OE1 GLN A 122 -7.164 12.331 4.177 1.00 41.42 O ATOM 1732 NE2 GLN A 122 -8.612 10.646 4.273 1.00 42.14 N ATOM 0 H GLN A 122 -5.235 7.527 3.426 1.00 53.40 H new ATOM 0 HA GLN A 122 -7.612 8.684 2.511 1.00 2.15 H new ATOM 0 HB2 GLN A 122 -4.737 9.582 2.824 1.00 0.44 H new ATOM 0 HB3 GLN A 122 -5.969 10.664 2.205 1.00 0.44 H new ATOM 0 HG2 GLN A 122 -6.535 9.222 4.798 1.00 2.33 H new ATOM 0 HG3 GLN A 122 -5.389 10.548 4.826 1.00 2.33 H new ATOM 0 HE21 GLN A 122 -8.767 9.640 4.339 1.00 42.14 H new ATOM 0 HE22 GLN A 122 -9.407 11.282 4.220 1.00 42.14 H new ATOM 1741 N LEU A 123 -5.301 8.168 0.183 1.00 12.03 N ATOM 1742 CA LEU A 123 -5.097 8.105 -1.259 1.00 72.45 C ATOM 1743 C LEU A 123 -6.103 7.137 -1.896 1.00 42.11 C ATOM 1744 O LEU A 123 -6.581 7.417 -2.999 1.00 11.14 O ATOM 1745 CB LEU A 123 -3.652 7.690 -1.575 1.00 31.14 C ATOM 1746 CG LEU A 123 -2.595 8.749 -1.211 1.00 43.00 C ATOM 1747 CD1 LEU A 123 -1.239 8.080 -0.957 1.00 50.34 C ATOM 1748 CD2 LEU A 123 -2.444 9.809 -2.307 1.00 35.44 C ATOM 0 H LEU A 123 -4.493 7.872 0.731 1.00 12.03 H new ATOM 0 HA LEU A 123 -5.264 9.095 -1.684 1.00 72.45 H new ATOM 0 HB2 LEU A 123 -3.426 6.768 -1.039 1.00 31.14 H new ATOM 0 HB3 LEU A 123 -3.575 7.467 -2.639 1.00 31.14 H new ATOM 0 HG LEU A 123 -2.937 9.248 -0.304 1.00 43.00 H new ATOM 0 HD11 LEU A 123 -0.501 8.840 -0.701 1.00 50.34 H new ATOM 0 HD12 LEU A 123 -1.331 7.371 -0.134 1.00 50.34 H new ATOM 0 HD13 LEU A 123 -0.920 7.552 -1.856 1.00 50.34 H new ATOM 0 HD21 LEU A 123 -1.688 10.536 -2.009 1.00 35.44 H new ATOM 0 HD22 LEU A 123 -2.139 9.330 -3.237 1.00 35.44 H new ATOM 0 HD23 LEU A 123 -3.397 10.317 -2.456 1.00 35.44 H new ATOM 1760 N VAL A 124 -6.440 6.024 -1.233 1.00 41.21 N ATOM 1761 CA VAL A 124 -7.396 5.056 -1.758 1.00 53.21 C ATOM 1762 C VAL A 124 -8.803 5.662 -1.736 1.00 42.24 C ATOM 1763 O VAL A 124 -9.502 5.633 -2.749 1.00 71.23 O ATOM 1764 CB VAL A 124 -7.413 3.755 -0.927 1.00 23.00 C ATOM 1765 CG1 VAL A 124 -8.206 2.657 -1.647 1.00 23.11 C ATOM 1766 CG2 VAL A 124 -6.040 3.159 -0.593 1.00 50.15 C ATOM 0 H VAL A 124 -6.056 5.775 -0.321 1.00 41.21 H new ATOM 0 HA VAL A 124 -7.091 4.814 -2.776 1.00 53.21 H new ATOM 0 HB VAL A 124 -7.875 4.066 0.010 1.00 23.00 H new ATOM 0 HG11 VAL A 124 -8.204 1.750 -1.042 1.00 23.11 H new ATOM 0 HG12 VAL A 124 -9.233 2.990 -1.798 1.00 23.11 H new ATOM 0 HG13 VAL A 124 -7.746 2.450 -2.613 1.00 23.11 H new ATOM 0 HG21 VAL A 124 -6.171 2.249 -0.008 1.00 50.15 H new ATOM 0 HG22 VAL A 124 -5.511 2.923 -1.517 1.00 50.15 H new ATOM 0 HG23 VAL A 124 -5.461 3.881 -0.017 1.00 50.15 H new ATOM 1776 N SER A 125 -9.243 6.193 -0.588 1.00 25.54 N ATOM 1777 CA SER A 125 -10.573 6.768 -0.458 1.00 65.34 C ATOM 1778 C SER A 125 -10.752 7.990 -1.363 1.00 65.43 C ATOM 1779 O SER A 125 -11.855 8.203 -1.877 1.00 50.01 O ATOM 1780 CB SER A 125 -10.892 7.013 1.023 1.00 20.45 C ATOM 1781 OG SER A 125 -9.901 7.760 1.693 1.00 24.02 O ATOM 0 H SER A 125 -8.687 6.233 0.266 1.00 25.54 H new ATOM 0 HA SER A 125 -11.317 6.058 -0.817 1.00 65.34 H new ATOM 0 HB2 SER A 125 -11.845 7.536 1.100 1.00 20.45 H new ATOM 0 HB3 SER A 125 -11.014 6.053 1.524 1.00 20.45 H new ATOM 0 HG SER A 125 -9.281 8.142 1.038 1.00 24.02 H new ATOM 1787 N MET A 126 -9.681 8.751 -1.596 1.00 60.13 N ATOM 1788 CA MET A 126 -9.671 9.929 -2.444 1.00 31.31 C ATOM 1789 C MET A 126 -9.889 9.494 -3.885 1.00 74.55 C ATOM 1790 O MET A 126 -10.731 10.084 -4.552 1.00 44.32 O ATOM 1791 CB MET A 126 -8.344 10.686 -2.295 1.00 44.40 C ATOM 1792 CG MET A 126 -8.213 11.852 -3.286 1.00 50.03 C ATOM 1793 SD MET A 126 -6.753 12.903 -3.032 1.00 4.35 S ATOM 1794 CE MET A 126 -5.480 11.767 -3.616 1.00 44.35 C ATOM 0 H MET A 126 -8.770 8.552 -1.183 1.00 60.13 H new ATOM 0 HA MET A 126 -10.471 10.606 -2.146 1.00 31.31 H new ATOM 0 HB2 MET A 126 -8.260 11.068 -1.278 1.00 44.40 H new ATOM 0 HB3 MET A 126 -7.516 9.993 -2.444 1.00 44.40 H new ATOM 0 HG2 MET A 126 -8.182 11.449 -4.298 1.00 50.03 H new ATOM 0 HG3 MET A 126 -9.107 12.472 -3.217 1.00 50.03 H new ATOM 0 HE1 MET A 126 -4.497 12.215 -3.469 1.00 44.35 H new ATOM 0 HE2 MET A 126 -5.540 10.834 -3.056 1.00 44.35 H new ATOM 0 HE3 MET A 126 -5.632 11.564 -4.676 1.00 44.35 H new ATOM 1804 N PHE A 127 -9.174 8.468 -4.363 1.00 12.53 N ATOM 1805 CA PHE A 127 -9.317 8.005 -5.742 1.00 62.23 C ATOM 1806 C PHE A 127 -10.696 7.391 -5.961 1.00 62.35 C ATOM 1807 O PHE A 127 -11.375 7.713 -6.936 1.00 13.51 O ATOM 1808 CB PHE A 127 -8.189 7.020 -6.070 1.00 64.20 C ATOM 1809 CG PHE A 127 -8.063 6.629 -7.533 1.00 1.12 C ATOM 1810 CD1 PHE A 127 -7.073 7.229 -8.334 1.00 71.43 C ATOM 1811 CD2 PHE A 127 -8.900 5.646 -8.093 1.00 30.13 C ATOM 1812 CE1 PHE A 127 -6.902 6.827 -9.672 1.00 21.34 C ATOM 1813 CE2 PHE A 127 -8.732 5.243 -9.427 1.00 62.33 C ATOM 1814 CZ PHE A 127 -7.724 5.823 -10.215 1.00 13.23 C ATOM 0 H PHE A 127 -8.492 7.945 -3.813 1.00 12.53 H new ATOM 0 HA PHE A 127 -9.235 8.852 -6.423 1.00 62.23 H new ATOM 0 HB2 PHE A 127 -7.244 7.457 -5.747 1.00 64.20 H new ATOM 0 HB3 PHE A 127 -8.339 6.114 -5.482 1.00 64.20 H new ATOM 0 HD1 PHE A 127 -6.442 8.001 -7.920 1.00 71.43 H new ATOM 0 HD2 PHE A 127 -9.677 5.198 -7.492 1.00 30.13 H new ATOM 0 HE1 PHE A 127 -6.140 7.289 -10.282 1.00 21.34 H new ATOM 0 HE2 PHE A 127 -9.378 4.487 -9.848 1.00 62.33 H new ATOM 0 HZ PHE A 127 -7.581 5.499 -11.235 1.00 13.23 H new ATOM 1824 N ALA A 128 -11.122 6.540 -5.024 1.00 20.50 N ATOM 1825 CA ALA A 128 -12.398 5.845 -5.057 1.00 43.12 C ATOM 1826 C ALA A 128 -13.577 6.821 -5.134 1.00 15.34 C ATOM 1827 O ALA A 128 -14.459 6.666 -5.974 1.00 52.23 O ATOM 1828 CB ALA A 128 -12.483 4.939 -3.828 1.00 1.53 C ATOM 0 H ALA A 128 -10.567 6.313 -4.199 1.00 20.50 H new ATOM 0 HA ALA A 128 -12.460 5.237 -5.960 1.00 43.12 H new ATOM 0 HB1 ALA A 128 -13.434 4.407 -3.833 1.00 1.53 H new ATOM 0 HB2 ALA A 128 -11.665 4.219 -3.849 1.00 1.53 H new ATOM 0 HB3 ALA A 128 -12.410 5.544 -2.924 1.00 1.53 H new ATOM 1834 N GLN A 129 -13.637 7.800 -4.227 1.00 11.33 N ATOM 1835 CA GLN A 129 -14.716 8.790 -4.206 1.00 11.43 C ATOM 1836 C GLN A 129 -14.495 9.883 -5.266 1.00 23.30 C ATOM 1837 O GLN A 129 -15.446 10.549 -5.680 1.00 63.20 O ATOM 1838 CB GLN A 129 -14.810 9.407 -2.801 1.00 32.41 C ATOM 1839 CG GLN A 129 -15.263 8.398 -1.730 1.00 73.54 C ATOM 1840 CD GLN A 129 -15.059 8.938 -0.318 1.00 62.45 C ATOM 1841 OE1 GLN A 129 -15.999 9.197 0.430 1.00 5.33 O ATOM 1842 NE2 GLN A 129 -13.812 9.063 0.099 1.00 22.23 N ATOM 0 H GLN A 129 -12.943 7.928 -3.491 1.00 11.33 H new ATOM 0 HA GLN A 129 -15.654 8.291 -4.447 1.00 11.43 H new ATOM 0 HB2 GLN A 129 -13.837 9.812 -2.522 1.00 32.41 H new ATOM 0 HB3 GLN A 129 -15.509 10.243 -2.823 1.00 32.41 H new ATOM 0 HG2 GLN A 129 -16.316 8.159 -1.879 1.00 73.54 H new ATOM 0 HG3 GLN A 129 -14.705 7.469 -1.848 1.00 73.54 H new ATOM 0 HE21 GLN A 129 -13.040 8.845 -0.530 1.00 22.23 H new ATOM 0 HE22 GLN A 129 -13.622 9.377 1.051 1.00 22.23 H new