USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=33 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 108 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 109 THR OG1 : rot 16:sc= 0.282 USER MOD Set 2.1: A 94 THR OG1 : rot 178:sc= 1.19 USER MOD Set 2.2: A 125 SER OG : rot 180:sc= 1.06 USER MOD Set 3.1: A 34 THR OG1 : rot 92:sc= 0.196 USER MOD Set 3.2: A 36 SER OG : rot 165:sc= 1.49 USER MOD Set 4.1: A 8 THR OG1 : rot 13:sc= 1.33 USER MOD Set 4.2: A 11 THR OG1 : rot 180:sc= 1.04 USER MOD Set 4.3: A 12 ASN : amide:sc= 0 X(o=2.4,f=2.3) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 21 ASN : amide:sc= 0.908 K(o=0.91,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0235 X(o=-0.024,f=-0.17) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 151:sc= -0.541 (180deg=-3.22!) USER MOD Single : A 37 GLN : amide:sc= -0.0505 K(o=-0.051,f=-1.4) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00414 USER MOD Single : A 46 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.47) USER MOD Single : A 47 SER OG : rot 71:sc= 0.853 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0258 X(o=-0.026,f=-0.38) USER MOD Single : A 54 SER OG : rot 89:sc= 0.0166 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 61 THR OG1 : rot -170:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 71 MET CE :methyl 172:sc= 0 (180deg=-0.0992) USER MOD Single : A 75 SER OG : rot -79:sc= 1.05 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 93 LYS NZ :NH3+ -109:sc= 0.998 (180deg=-0.106) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 78:sc= 0.0945 USER MOD Single : A 102 SER OG : rot -80:sc= 0.0799 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 107 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 113 ASN : amide:sc= 0.078 X(o=0.078,f=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 THR OG1 : rot 15:sc= 0.377 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 MET CE :methyl -117:sc= 0 (180deg=-0.211) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 13.283 2.065 4.526 1.00 73.41 N ATOM 83 CA THR A 8 11.937 2.052 3.971 1.00 1.31 C ATOM 84 C THR A 8 11.824 0.959 2.919 1.00 11.23 C ATOM 85 O THR A 8 12.836 0.596 2.309 1.00 5.35 O ATOM 86 CB THR A 8 11.600 3.399 3.307 1.00 62.22 C ATOM 87 OG1 THR A 8 12.702 3.971 2.633 1.00 14.24 O ATOM 88 CG2 THR A 8 11.103 4.393 4.327 1.00 54.21 C ATOM 0 HA THR A 8 11.241 1.869 4.789 1.00 1.31 H new ATOM 0 HB THR A 8 10.823 3.180 2.575 1.00 62.22 H new ATOM 0 HG1 THR A 8 13.416 3.305 2.550 1.00 14.24 H new ATOM 0 HG21 THR A 8 10.872 5.337 3.833 1.00 54.21 H new ATOM 0 HG22 THR A 8 10.204 4.004 4.806 1.00 54.21 H new ATOM 0 HG23 THR A 8 11.873 4.557 5.080 1.00 54.21 H new ATOM 96 N PRO A 9 10.603 0.465 2.652 1.00 13.42 N ATOM 97 CA PRO A 9 10.417 -0.558 1.643 1.00 21.04 C ATOM 98 C PRO A 9 10.821 0.009 0.284 1.00 53.45 C ATOM 99 O PRO A 9 11.457 -0.669 -0.507 1.00 11.01 O ATOM 100 CB PRO A 9 8.937 -0.947 1.711 1.00 35.45 C ATOM 101 CG PRO A 9 8.248 0.242 2.375 1.00 10.42 C ATOM 102 CD PRO A 9 9.335 0.808 3.287 1.00 32.35 C ATOM 0 HA PRO A 9 11.033 -1.443 1.803 1.00 21.04 H new ATOM 0 HB2 PRO A 9 8.532 -1.134 0.717 1.00 35.45 H new ATOM 0 HB3 PRO A 9 8.795 -1.860 2.290 1.00 35.45 H new ATOM 0 HG2 PRO A 9 7.915 0.976 1.641 1.00 10.42 H new ATOM 0 HG3 PRO A 9 7.368 -0.066 2.940 1.00 10.42 H new ATOM 0 HD2 PRO A 9 9.231 1.888 3.396 1.00 32.35 H new ATOM 0 HD3 PRO A 9 9.269 0.379 4.287 1.00 32.35 H new ATOM 110 N TRP A 10 10.532 1.285 0.025 1.00 5.12 N ATOM 111 CA TRP A 10 10.857 1.906 -1.245 1.00 24.31 C ATOM 112 C TRP A 10 12.357 2.120 -1.436 1.00 44.33 C ATOM 113 O TRP A 10 12.767 2.351 -2.575 1.00 0.32 O ATOM 114 CB TRP A 10 10.066 3.196 -1.394 1.00 65.24 C ATOM 115 CG TRP A 10 8.627 3.111 -1.010 1.00 25.53 C ATOM 116 CD1 TRP A 10 8.118 3.513 0.174 1.00 73.43 C ATOM 117 CD2 TRP A 10 7.503 2.583 -1.777 1.00 14.32 C ATOM 118 NE1 TRP A 10 6.757 3.324 0.163 1.00 22.32 N ATOM 119 CE2 TRP A 10 6.317 2.751 -1.006 1.00 64.21 C ATOM 120 CE3 TRP A 10 7.360 1.961 -3.035 1.00 11.23 C ATOM 121 CZ2 TRP A 10 5.054 2.359 -1.470 1.00 73.51 C ATOM 122 CZ3 TRP A 10 6.099 1.551 -3.508 1.00 64.22 C ATOM 123 CH2 TRP A 10 4.944 1.762 -2.736 1.00 34.02 C ATOM 0 H TRP A 10 10.070 1.907 0.688 1.00 5.12 H new ATOM 0 HA TRP A 10 10.566 1.221 -2.042 1.00 24.31 H new ATOM 0 HB2 TRP A 10 10.542 3.966 -0.787 1.00 65.24 H new ATOM 0 HB3 TRP A 10 10.129 3.523 -2.432 1.00 65.24 H new ATOM 0 HD1 TRP A 10 8.688 3.918 0.997 1.00 73.43 H new ATOM 0 HE1 TRP A 10 6.142 3.580 0.936 1.00 22.32 H new ATOM 0 HE3 TRP A 10 8.235 1.796 -3.647 1.00 11.23 H new ATOM 0 HZ2 TRP A 10 4.176 2.514 -0.861 1.00 73.51 H new ATOM 0 HZ3 TRP A 10 6.019 1.070 -4.472 1.00 64.22 H new ATOM 0 HH2 TRP A 10 3.977 1.466 -3.115 1.00 34.02 H new ATOM 134 N THR A 11 13.178 2.078 -0.379 1.00 11.11 N ATOM 135 CA THR A 11 14.624 2.245 -0.579 1.00 20.23 C ATOM 136 C THR A 11 15.338 0.899 -0.748 1.00 12.23 C ATOM 137 O THR A 11 16.435 0.873 -1.316 1.00 65.05 O ATOM 138 CB THR A 11 15.266 3.113 0.509 1.00 23.21 C ATOM 139 OG1 THR A 11 14.939 2.718 1.830 1.00 64.34 O ATOM 140 CG2 THR A 11 14.818 4.558 0.306 1.00 53.15 C ATOM 0 H THR A 11 12.883 1.936 0.587 1.00 11.11 H new ATOM 0 HA THR A 11 14.751 2.787 -1.516 1.00 20.23 H new ATOM 0 HB THR A 11 16.345 2.997 0.407 1.00 23.21 H new ATOM 0 HG1 THR A 11 15.383 3.314 2.469 1.00 64.34 H new ATOM 0 HG21 THR A 11 15.267 5.189 1.073 1.00 53.15 H new ATOM 0 HG22 THR A 11 15.135 4.902 -0.678 1.00 53.15 H new ATOM 0 HG23 THR A 11 13.732 4.616 0.378 1.00 53.15 H new ATOM 148 N ASN A 12 14.731 -0.203 -0.288 1.00 72.22 N ATOM 149 CA ASN A 12 15.305 -1.550 -0.382 1.00 3.01 C ATOM 150 C ASN A 12 14.238 -2.596 -0.740 1.00 3.44 C ATOM 151 O ASN A 12 13.299 -2.786 0.036 1.00 41.05 O ATOM 152 CB ASN A 12 15.988 -1.979 0.916 1.00 10.12 C ATOM 153 CG ASN A 12 17.253 -1.194 1.208 1.00 13.40 C ATOM 154 OD1 ASN A 12 18.347 -1.614 0.845 1.00 32.14 O ATOM 155 ND2 ASN A 12 17.142 -0.031 1.826 1.00 63.12 N ATOM 0 H ASN A 12 13.817 -0.183 0.165 1.00 72.22 H new ATOM 0 HA ASN A 12 16.050 -1.499 -1.176 1.00 3.01 H new ATOM 0 HB2 ASN A 12 15.291 -1.855 1.745 1.00 10.12 H new ATOM 0 HB3 ASN A 12 16.231 -3.040 0.859 1.00 10.12 H new ATOM 0 HD21 ASN A 12 17.973 0.531 2.007 1.00 63.12 H new ATOM 0 HD22 ASN A 12 16.225 0.304 2.121 1.00 63.12 H new ATOM 162 N PRO A 13 14.394 -3.340 -1.850 1.00 53.41 N ATOM 163 CA PRO A 13 13.426 -4.335 -2.298 1.00 11.30 C ATOM 164 C PRO A 13 13.257 -5.519 -1.355 1.00 11.44 C ATOM 165 O PRO A 13 12.149 -6.031 -1.288 1.00 52.35 O ATOM 166 CB PRO A 13 13.891 -4.793 -3.684 1.00 21.24 C ATOM 167 CG PRO A 13 15.392 -4.537 -3.617 1.00 14.13 C ATOM 168 CD PRO A 13 15.455 -3.239 -2.830 1.00 64.42 C ATOM 0 HA PRO A 13 12.436 -3.879 -2.323 1.00 11.30 H new ATOM 0 HB2 PRO A 13 13.664 -5.844 -3.863 1.00 21.24 H new ATOM 0 HB3 PRO A 13 13.415 -4.223 -4.482 1.00 21.24 H new ATOM 0 HG2 PRO A 13 15.922 -5.346 -3.114 1.00 14.13 H new ATOM 0 HG3 PRO A 13 15.833 -4.435 -4.608 1.00 14.13 H new ATOM 0 HD2 PRO A 13 16.425 -3.116 -2.349 1.00 64.42 H new ATOM 0 HD3 PRO A 13 15.310 -2.376 -3.480 1.00 64.42 H new ATOM 176 N GLY A 14 14.288 -5.957 -0.622 1.00 11.54 N ATOM 177 CA GLY A 14 14.138 -7.089 0.293 1.00 52.23 C ATOM 178 C GLY A 14 13.157 -6.756 1.412 1.00 63.44 C ATOM 179 O GLY A 14 12.460 -7.630 1.929 1.00 31.14 O ATOM 0 H GLY A 14 15.223 -5.549 -0.645 1.00 11.54 H new ATOM 0 HA2 GLY A 14 13.787 -7.962 -0.257 1.00 52.23 H new ATOM 0 HA3 GLY A 14 15.107 -7.349 0.719 1.00 52.23 H new ATOM 183 N LEU A 15 13.115 -5.485 1.815 1.00 72.35 N ATOM 184 CA LEU A 15 12.210 -5.029 2.850 1.00 15.21 C ATOM 185 C LEU A 15 10.807 -5.002 2.234 1.00 65.43 C ATOM 186 O LEU A 15 9.873 -5.559 2.810 1.00 3.15 O ATOM 187 CB LEU A 15 12.669 -3.655 3.365 1.00 50.02 C ATOM 188 CG LEU A 15 12.168 -3.312 4.780 1.00 64.04 C ATOM 189 CD1 LEU A 15 12.583 -1.876 5.099 1.00 12.33 C ATOM 190 CD2 LEU A 15 10.663 -3.477 5.004 1.00 74.22 C ATOM 0 H LEU A 15 13.709 -4.751 1.429 1.00 72.35 H new ATOM 0 HA LEU A 15 12.201 -5.690 3.716 1.00 15.21 H new ATOM 0 HB2 LEU A 15 13.759 -3.623 3.360 1.00 50.02 H new ATOM 0 HB3 LEU A 15 12.324 -2.886 2.673 1.00 50.02 H new ATOM 0 HG LEU A 15 12.628 -4.037 5.451 1.00 64.04 H new ATOM 0 HD11 LEU A 15 12.238 -1.611 6.098 1.00 12.33 H new ATOM 0 HD12 LEU A 15 13.669 -1.793 5.056 1.00 12.33 H new ATOM 0 HD13 LEU A 15 12.138 -1.198 4.370 1.00 12.33 H new ATOM 0 HD21 LEU A 15 10.417 -3.210 6.032 1.00 74.22 H new ATOM 0 HD22 LEU A 15 10.120 -2.826 4.320 1.00 74.22 H new ATOM 0 HD23 LEU A 15 10.379 -4.513 4.821 1.00 74.22 H new ATOM 202 N ALA A 16 10.664 -4.379 1.054 1.00 23.20 N ATOM 203 CA ALA A 16 9.385 -4.289 0.367 1.00 24.33 C ATOM 204 C ALA A 16 8.789 -5.670 0.141 1.00 51.33 C ATOM 205 O ALA A 16 7.645 -5.881 0.508 1.00 71.35 O ATOM 206 CB ALA A 16 9.533 -3.563 -0.970 1.00 52.42 C ATOM 0 H ALA A 16 11.433 -3.928 0.559 1.00 23.20 H new ATOM 0 HA ALA A 16 8.710 -3.717 1.004 1.00 24.33 H new ATOM 0 HB1 ALA A 16 8.563 -3.509 -1.464 1.00 52.42 H new ATOM 0 HB2 ALA A 16 9.909 -2.555 -0.797 1.00 52.42 H new ATOM 0 HB3 ALA A 16 10.233 -4.107 -1.604 1.00 52.42 H new ATOM 212 N GLU A 17 9.554 -6.605 -0.411 1.00 54.24 N ATOM 213 CA GLU A 17 9.127 -7.964 -0.701 1.00 4.52 C ATOM 214 C GLU A 17 8.529 -8.633 0.537 1.00 63.33 C ATOM 215 O GLU A 17 7.484 -9.275 0.450 1.00 41.11 O ATOM 216 CB GLU A 17 10.351 -8.733 -1.228 1.00 32.14 C ATOM 217 CG GLU A 17 10.119 -10.233 -1.446 1.00 71.51 C ATOM 218 CD GLU A 17 9.104 -10.576 -2.533 1.00 65.24 C ATOM 219 OE1 GLU A 17 8.524 -9.684 -3.186 1.00 24.43 O ATOM 220 OE2 GLU A 17 8.966 -11.783 -2.838 1.00 71.13 O ATOM 0 H GLU A 17 10.523 -6.429 -0.677 1.00 54.24 H new ATOM 0 HA GLU A 17 8.339 -7.961 -1.454 1.00 4.52 H new ATOM 0 HB2 GLU A 17 10.665 -8.287 -2.172 1.00 32.14 H new ATOM 0 HB3 GLU A 17 11.174 -8.605 -0.525 1.00 32.14 H new ATOM 0 HG2 GLU A 17 11.071 -10.700 -1.698 1.00 71.51 H new ATOM 0 HG3 GLU A 17 9.786 -10.674 -0.507 1.00 71.51 H new ATOM 227 N ASN A 18 9.178 -8.491 1.693 1.00 53.15 N ATOM 228 CA ASN A 18 8.713 -9.095 2.935 1.00 71.12 C ATOM 229 C ASN A 18 7.428 -8.441 3.416 1.00 71.01 C ATOM 230 O ASN A 18 6.471 -9.130 3.762 1.00 42.42 O ATOM 231 CB ASN A 18 9.812 -8.980 3.985 1.00 53.24 C ATOM 232 CG ASN A 18 9.693 -10.094 5.001 1.00 12.33 C ATOM 233 OD1 ASN A 18 9.038 -9.953 6.025 1.00 55.53 O ATOM 234 ND2 ASN A 18 10.347 -11.213 4.741 1.00 50.21 N ATOM 0 H ASN A 18 10.040 -7.954 1.791 1.00 53.15 H new ATOM 0 HA ASN A 18 8.490 -10.148 2.760 1.00 71.12 H new ATOM 0 HB2 ASN A 18 10.789 -9.022 3.503 1.00 53.24 H new ATOM 0 HB3 ASN A 18 9.745 -8.014 4.486 1.00 53.24 H new ATOM 0 HD21 ASN A 18 10.314 -11.989 5.403 1.00 50.21 H new ATOM 0 HD22 ASN A 18 10.885 -11.301 3.879 1.00 50.21 H new ATOM 241 N PHE A 19 7.404 -7.108 3.421 1.00 54.51 N ATOM 242 CA PHE A 19 6.257 -6.317 3.835 1.00 73.32 C ATOM 243 C PHE A 19 5.042 -6.661 2.971 1.00 21.25 C ATOM 244 O PHE A 19 3.962 -6.933 3.496 1.00 4.30 O ATOM 245 CB PHE A 19 6.634 -4.836 3.738 1.00 33.44 C ATOM 246 CG PHE A 19 5.510 -3.890 4.095 1.00 12.44 C ATOM 247 CD1 PHE A 19 4.982 -3.017 3.121 1.00 1.45 C ATOM 248 CD2 PHE A 19 4.995 -3.881 5.407 1.00 75.31 C ATOM 249 CE1 PHE A 19 3.986 -2.094 3.485 1.00 60.43 C ATOM 250 CE2 PHE A 19 3.970 -2.984 5.750 1.00 71.35 C ATOM 251 CZ PHE A 19 3.480 -2.080 4.794 1.00 45.51 C ATOM 0 H PHE A 19 8.201 -6.541 3.130 1.00 54.51 H new ATOM 0 HA PHE A 19 5.984 -6.541 4.866 1.00 73.32 H new ATOM 0 HB2 PHE A 19 7.480 -4.643 4.397 1.00 33.44 H new ATOM 0 HB3 PHE A 19 6.966 -4.622 2.722 1.00 33.44 H new ATOM 0 HD1 PHE A 19 5.340 -3.057 2.103 1.00 1.45 H new ATOM 0 HD2 PHE A 19 5.388 -4.562 6.147 1.00 75.31 H new ATOM 0 HE1 PHE A 19 3.609 -1.393 2.755 1.00 60.43 H new ATOM 0 HE2 PHE A 19 3.559 -2.990 6.749 1.00 71.35 H new ATOM 0 HZ PHE A 19 2.712 -1.372 5.067 1.00 45.51 H new ATOM 261 N LEU A 20 5.231 -6.670 1.652 1.00 45.51 N ATOM 262 CA LEU A 20 4.225 -6.980 0.651 1.00 71.22 C ATOM 263 C LEU A 20 3.715 -8.394 0.883 1.00 4.01 C ATOM 264 O LEU A 20 2.503 -8.582 0.945 1.00 41.43 O ATOM 265 CB LEU A 20 4.818 -6.844 -0.767 1.00 22.43 C ATOM 266 CG LEU A 20 4.650 -5.453 -1.406 1.00 45.33 C ATOM 267 CD1 LEU A 20 4.978 -4.245 -0.523 1.00 31.43 C ATOM 268 CD2 LEU A 20 5.494 -5.364 -2.682 1.00 41.30 C ATOM 0 H LEU A 20 6.137 -6.450 1.238 1.00 45.51 H new ATOM 0 HA LEU A 20 3.396 -6.278 0.737 1.00 71.22 H new ATOM 0 HB2 LEU A 20 5.881 -7.084 -0.726 1.00 22.43 H new ATOM 0 HB3 LEU A 20 4.349 -7.585 -1.414 1.00 22.43 H new ATOM 0 HG LEU A 20 3.580 -5.384 -1.600 1.00 45.33 H new ATOM 0 HD11 LEU A 20 4.820 -3.327 -1.089 1.00 31.43 H new ATOM 0 HD12 LEU A 20 4.329 -4.248 0.353 1.00 31.43 H new ATOM 0 HD13 LEU A 20 6.019 -4.299 -0.204 1.00 31.43 H new ATOM 0 HD21 LEU A 20 5.372 -4.378 -3.131 1.00 41.30 H new ATOM 0 HD22 LEU A 20 6.544 -5.523 -2.436 1.00 41.30 H new ATOM 0 HD23 LEU A 20 5.167 -6.127 -3.388 1.00 41.30 H new ATOM 280 N ASN A 21 4.610 -9.375 1.039 1.00 21.34 N ATOM 281 CA ASN A 21 4.208 -10.762 1.258 1.00 23.04 C ATOM 282 C ASN A 21 3.350 -10.880 2.507 1.00 51.14 C ATOM 283 O ASN A 21 2.254 -11.431 2.435 1.00 32.41 O ATOM 284 CB ASN A 21 5.418 -11.703 1.350 1.00 61.30 C ATOM 285 CG ASN A 21 5.752 -12.277 -0.015 1.00 20.15 C ATOM 286 OD1 ASN A 21 5.076 -13.201 -0.466 1.00 65.23 O ATOM 287 ND2 ASN A 21 6.756 -11.752 -0.689 1.00 63.22 N ATOM 0 H ASN A 21 5.619 -9.230 1.017 1.00 21.34 H new ATOM 0 HA ASN A 21 3.619 -11.068 0.394 1.00 23.04 H new ATOM 0 HB2 ASN A 21 6.278 -11.161 1.743 1.00 61.30 H new ATOM 0 HB3 ASN A 21 5.204 -12.512 2.049 1.00 61.30 H new ATOM 0 HD21 ASN A 21 6.993 -12.111 -1.614 1.00 63.22 H new ATOM 0 HD22 ASN A 21 7.296 -10.987 -0.286 1.00 63.22 H new ATOM 294 N SER A 22 3.821 -10.350 3.635 1.00 53.03 N ATOM 295 CA SER A 22 3.105 -10.389 4.898 1.00 73.22 C ATOM 296 C SER A 22 1.749 -9.673 4.779 1.00 21.40 C ATOM 297 O SER A 22 0.758 -10.143 5.347 1.00 72.22 O ATOM 298 CB SER A 22 4.040 -9.820 5.970 1.00 44.32 C ATOM 299 OG SER A 22 5.045 -10.774 6.255 1.00 22.42 O ATOM 0 H SER A 22 4.723 -9.877 3.692 1.00 53.03 H new ATOM 0 HA SER A 22 2.844 -11.406 5.189 1.00 73.22 H new ATOM 0 HB2 SER A 22 4.491 -8.890 5.622 1.00 44.32 H new ATOM 0 HB3 SER A 22 3.478 -9.583 6.873 1.00 44.32 H new ATOM 0 HG SER A 22 5.650 -10.418 6.939 1.00 22.42 H new ATOM 305 N PHE A 23 1.670 -8.568 4.032 1.00 51.31 N ATOM 306 CA PHE A 23 0.426 -7.835 3.830 1.00 22.10 C ATOM 307 C PHE A 23 -0.548 -8.714 3.053 1.00 10.21 C ATOM 308 O PHE A 23 -1.657 -8.938 3.530 1.00 14.45 O ATOM 309 CB PHE A 23 0.684 -6.514 3.085 1.00 60.45 C ATOM 310 CG PHE A 23 -0.574 -5.837 2.568 1.00 13.25 C ATOM 311 CD1 PHE A 23 -0.958 -5.996 1.222 1.00 1.10 C ATOM 312 CD2 PHE A 23 -1.385 -5.081 3.437 1.00 63.23 C ATOM 313 CE1 PHE A 23 -2.131 -5.391 0.740 1.00 13.15 C ATOM 314 CE2 PHE A 23 -2.558 -4.474 2.953 1.00 72.04 C ATOM 315 CZ PHE A 23 -2.929 -4.623 1.605 1.00 41.42 C ATOM 0 H PHE A 23 2.471 -8.159 3.551 1.00 51.31 H new ATOM 0 HA PHE A 23 -0.007 -7.585 4.799 1.00 22.10 H new ATOM 0 HB2 PHE A 23 1.204 -5.828 3.754 1.00 60.45 H new ATOM 0 HB3 PHE A 23 1.351 -6.707 2.245 1.00 60.45 H new ATOM 0 HD1 PHE A 23 -0.347 -6.587 0.556 1.00 1.10 H new ATOM 0 HD2 PHE A 23 -1.106 -4.968 4.474 1.00 63.23 H new ATOM 0 HE1 PHE A 23 -2.419 -5.516 -0.293 1.00 13.15 H new ATOM 0 HE2 PHE A 23 -3.176 -3.891 3.620 1.00 72.04 H new ATOM 0 HZ PHE A 23 -3.826 -4.148 1.235 1.00 41.42 H new ATOM 325 N LEU A 24 -0.138 -9.228 1.890 1.00 51.04 N ATOM 326 CA LEU A 24 -0.962 -10.080 1.027 1.00 53.21 C ATOM 327 C LEU A 24 -1.466 -11.296 1.801 1.00 44.32 C ATOM 328 O LEU A 24 -2.640 -11.654 1.691 1.00 4.43 O ATOM 329 CB LEU A 24 -0.168 -10.543 -0.212 1.00 63.11 C ATOM 330 CG LEU A 24 0.198 -9.427 -1.209 1.00 52.21 C ATOM 331 CD1 LEU A 24 1.213 -9.950 -2.230 1.00 33.01 C ATOM 332 CD2 LEU A 24 -1.020 -8.871 -1.947 1.00 61.21 C ATOM 0 H LEU A 24 0.795 -9.060 1.514 1.00 51.04 H new ATOM 0 HA LEU A 24 -1.816 -9.491 0.693 1.00 53.21 H new ATOM 0 HB2 LEU A 24 0.751 -11.024 0.124 1.00 63.11 H new ATOM 0 HB3 LEU A 24 -0.752 -11.300 -0.736 1.00 63.11 H new ATOM 0 HG LEU A 24 0.629 -8.613 -0.627 1.00 52.21 H new ATOM 0 HD11 LEU A 24 1.466 -9.155 -2.931 1.00 33.01 H new ATOM 0 HD12 LEU A 24 2.114 -10.278 -1.712 1.00 33.01 H new ATOM 0 HD13 LEU A 24 0.782 -10.790 -2.774 1.00 33.01 H new ATOM 0 HD21 LEU A 24 -0.702 -8.088 -2.636 1.00 61.21 H new ATOM 0 HD22 LEU A 24 -1.503 -9.672 -2.506 1.00 61.21 H new ATOM 0 HD23 LEU A 24 -1.724 -8.456 -1.226 1.00 61.21 H new ATOM 344 N GLN A 25 -0.592 -11.914 2.598 1.00 1.12 N ATOM 345 CA GLN A 25 -0.897 -13.076 3.418 1.00 72.12 C ATOM 346 C GLN A 25 -2.075 -12.789 4.343 1.00 55.22 C ATOM 347 O GLN A 25 -3.015 -13.587 4.419 1.00 52.40 O ATOM 348 CB GLN A 25 0.339 -13.455 4.260 1.00 71.30 C ATOM 349 CG GLN A 25 1.076 -14.673 3.698 1.00 34.24 C ATOM 350 CD GLN A 25 0.282 -15.940 3.992 1.00 73.42 C ATOM 351 OE1 GLN A 25 -0.527 -16.383 3.188 1.00 14.31 O ATOM 352 NE2 GLN A 25 0.402 -16.497 5.188 1.00 64.43 N ATOM 0 H GLN A 25 0.376 -11.606 2.690 1.00 1.12 H new ATOM 0 HA GLN A 25 -1.163 -13.904 2.761 1.00 72.12 H new ATOM 0 HB2 GLN A 25 1.022 -12.607 4.300 1.00 71.30 H new ATOM 0 HB3 GLN A 25 0.028 -13.662 5.284 1.00 71.30 H new ATOM 0 HG2 GLN A 25 1.214 -14.561 2.623 1.00 34.24 H new ATOM 0 HG3 GLN A 25 2.069 -14.745 4.141 1.00 34.24 H new ATOM 0 HE21 GLN A 25 1.077 -16.127 5.858 1.00 64.43 H new ATOM 0 HE22 GLN A 25 -0.180 -17.296 5.439 1.00 64.43 H new ATOM 361 N GLY A 26 -2.016 -11.660 5.052 1.00 44.20 N ATOM 362 CA GLY A 26 -3.056 -11.276 5.983 1.00 72.23 C ATOM 363 C GLY A 26 -4.322 -10.827 5.277 1.00 25.32 C ATOM 364 O GLY A 26 -5.394 -11.340 5.589 1.00 34.33 O ATOM 0 H GLY A 26 -1.245 -10.995 4.991 1.00 44.20 H new ATOM 0 HA2 GLY A 26 -3.286 -12.118 6.636 1.00 72.23 H new ATOM 0 HA3 GLY A 26 -2.692 -10.470 6.619 1.00 72.23 H new ATOM 368 N LEU A 27 -4.200 -9.921 4.302 1.00 11.41 N ATOM 369 CA LEU A 27 -5.290 -9.351 3.521 1.00 45.41 C ATOM 370 C LEU A 27 -6.150 -10.464 2.923 1.00 14.23 C ATOM 371 O LEU A 27 -7.369 -10.330 2.964 1.00 11.44 O ATOM 372 CB LEU A 27 -4.689 -8.393 2.474 1.00 14.31 C ATOM 373 CG LEU A 27 -5.525 -7.268 1.858 1.00 53.21 C ATOM 374 CD1 LEU A 27 -6.429 -7.830 0.784 1.00 61.22 C ATOM 375 CD2 LEU A 27 -6.308 -6.404 2.848 1.00 31.01 C ATOM 0 H LEU A 27 -3.291 -9.550 4.026 1.00 11.41 H new ATOM 0 HA LEU A 27 -5.964 -8.767 4.148 1.00 45.41 H new ATOM 0 HB2 LEU A 27 -3.816 -7.927 2.932 1.00 14.31 H new ATOM 0 HB3 LEU A 27 -4.326 -9.008 1.650 1.00 14.31 H new ATOM 0 HG LEU A 27 -4.804 -6.575 1.424 1.00 53.21 H new ATOM 0 HD11 LEU A 27 -7.022 -7.025 0.349 1.00 61.22 H new ATOM 0 HD12 LEU A 27 -5.824 -8.296 0.006 1.00 61.22 H new ATOM 0 HD13 LEU A 27 -7.094 -8.575 1.221 1.00 61.22 H new ATOM 0 HD21 LEU A 27 -6.864 -5.640 2.304 1.00 31.01 H new ATOM 0 HD22 LEU A 27 -7.004 -7.030 3.406 1.00 31.01 H new ATOM 0 HD23 LEU A 27 -5.615 -5.925 3.540 1.00 31.01 H new ATOM 387 N SER A 28 -5.569 -11.580 2.465 1.00 64.21 N ATOM 388 CA SER A 28 -6.317 -12.706 1.897 1.00 20.32 C ATOM 389 C SER A 28 -7.313 -13.322 2.897 1.00 74.24 C ATOM 390 O SER A 28 -8.227 -14.039 2.499 1.00 61.42 O ATOM 391 CB SER A 28 -5.328 -13.766 1.382 1.00 4.02 C ATOM 392 OG SER A 28 -5.885 -14.508 0.316 1.00 44.42 O ATOM 0 H SER A 28 -4.560 -11.727 2.479 1.00 64.21 H new ATOM 0 HA SER A 28 -6.915 -12.327 1.068 1.00 20.32 H new ATOM 0 HB2 SER A 28 -4.410 -13.280 1.050 1.00 4.02 H new ATOM 0 HB3 SER A 28 -5.056 -14.440 2.195 1.00 4.02 H new ATOM 0 HG SER A 28 -5.236 -15.174 0.006 1.00 44.42 H new ATOM 398 N SER A 29 -7.164 -13.060 4.198 1.00 42.42 N ATOM 399 CA SER A 29 -8.023 -13.568 5.266 1.00 61.54 C ATOM 400 C SER A 29 -8.869 -12.461 5.925 1.00 4.41 C ATOM 401 O SER A 29 -9.679 -12.745 6.809 1.00 15.32 O ATOM 402 CB SER A 29 -7.126 -14.281 6.284 1.00 22.32 C ATOM 403 OG SER A 29 -6.199 -15.144 5.628 1.00 3.24 O ATOM 0 H SER A 29 -6.413 -12.465 4.548 1.00 42.42 H new ATOM 0 HA SER A 29 -8.748 -14.266 4.847 1.00 61.54 H new ATOM 0 HB2 SER A 29 -6.585 -13.544 6.878 1.00 22.32 H new ATOM 0 HB3 SER A 29 -7.740 -14.858 6.975 1.00 22.32 H new ATOM 0 HG SER A 29 -5.636 -15.587 6.296 1.00 3.24 H new ATOM 409 N MET A 30 -8.682 -11.195 5.530 1.00 31.31 N ATOM 410 CA MET A 30 -9.416 -10.053 6.073 1.00 51.14 C ATOM 411 C MET A 30 -10.691 -9.814 5.241 1.00 40.33 C ATOM 412 O MET A 30 -10.742 -10.220 4.077 1.00 62.54 O ATOM 413 CB MET A 30 -8.469 -8.839 6.174 1.00 62.31 C ATOM 414 CG MET A 30 -7.369 -9.149 7.200 1.00 12.35 C ATOM 415 SD MET A 30 -6.431 -7.785 7.899 1.00 24.45 S ATOM 416 CE MET A 30 -7.755 -7.049 8.857 1.00 34.04 C ATOM 0 H MET A 30 -8.005 -10.935 4.813 1.00 31.31 H new ATOM 0 HA MET A 30 -9.762 -10.246 7.088 1.00 51.14 H new ATOM 0 HB2 MET A 30 -8.027 -8.624 5.201 1.00 62.31 H new ATOM 0 HB3 MET A 30 -9.025 -7.951 6.475 1.00 62.31 H new ATOM 0 HG2 MET A 30 -7.831 -9.690 8.026 1.00 12.35 H new ATOM 0 HG3 MET A 30 -6.660 -9.830 6.729 1.00 12.35 H new ATOM 0 HE1 MET A 30 -7.337 -6.546 9.729 1.00 34.04 H new ATOM 0 HE2 MET A 30 -8.290 -6.325 8.242 1.00 34.04 H new ATOM 0 HE3 MET A 30 -8.444 -7.828 9.183 1.00 34.04 H new ATOM 426 N PRO A 31 -11.705 -9.097 5.758 1.00 3.21 N ATOM 427 CA PRO A 31 -12.968 -8.843 5.053 1.00 53.35 C ATOM 428 C PRO A 31 -12.910 -7.811 3.916 1.00 11.55 C ATOM 429 O PRO A 31 -13.929 -7.493 3.299 1.00 23.31 O ATOM 430 CB PRO A 31 -13.940 -8.422 6.151 1.00 74.13 C ATOM 431 CG PRO A 31 -13.043 -7.712 7.156 1.00 15.44 C ATOM 432 CD PRO A 31 -11.775 -8.555 7.109 1.00 20.15 C ATOM 0 HA PRO A 31 -13.271 -9.743 4.519 1.00 53.35 H new ATOM 0 HB2 PRO A 31 -14.718 -7.761 5.768 1.00 74.13 H new ATOM 0 HB3 PRO A 31 -14.442 -9.281 6.596 1.00 74.13 H new ATOM 0 HG2 PRO A 31 -12.854 -6.677 6.872 1.00 15.44 H new ATOM 0 HG3 PRO A 31 -13.483 -7.694 8.153 1.00 15.44 H new ATOM 0 HD2 PRO A 31 -10.896 -7.951 7.333 1.00 20.15 H new ATOM 0 HD3 PRO A 31 -11.810 -9.354 7.849 1.00 20.15 H new ATOM 440 N GLY A 32 -11.735 -7.271 3.617 1.00 34.20 N ATOM 441 CA GLY A 32 -11.542 -6.296 2.557 1.00 55.13 C ATOM 442 C GLY A 32 -11.716 -6.944 1.182 1.00 23.53 C ATOM 443 O GLY A 32 -12.797 -6.897 0.591 1.00 34.04 O ATOM 0 H GLY A 32 -10.876 -7.504 4.115 1.00 34.20 H new ATOM 0 HA2 GLY A 32 -12.256 -5.481 2.673 1.00 55.13 H new ATOM 0 HA3 GLY A 32 -10.546 -5.860 2.635 1.00 55.13 H new ATOM 447 N PHE A 33 -10.638 -7.510 0.641 1.00 61.12 N ATOM 448 CA PHE A 33 -10.635 -8.159 -0.664 1.00 53.11 C ATOM 449 C PHE A 33 -10.965 -9.647 -0.481 1.00 42.05 C ATOM 450 O PHE A 33 -11.311 -10.089 0.623 1.00 3.02 O ATOM 451 CB PHE A 33 -9.258 -7.909 -1.305 1.00 70.05 C ATOM 452 CG PHE A 33 -8.960 -6.439 -1.619 1.00 62.03 C ATOM 453 CD1 PHE A 33 -8.810 -5.491 -0.584 1.00 41.54 C ATOM 454 CD2 PHE A 33 -8.809 -6.000 -2.952 1.00 11.53 C ATOM 455 CE1 PHE A 33 -8.601 -4.140 -0.883 1.00 64.13 C ATOM 456 CE2 PHE A 33 -8.569 -4.644 -3.244 1.00 63.41 C ATOM 457 CZ PHE A 33 -8.482 -3.705 -2.209 1.00 51.14 C ATOM 0 H PHE A 33 -9.730 -7.529 1.106 1.00 61.12 H new ATOM 0 HA PHE A 33 -11.394 -7.754 -1.334 1.00 53.11 H new ATOM 0 HB2 PHE A 33 -8.486 -8.288 -0.636 1.00 70.05 H new ATOM 0 HB3 PHE A 33 -9.191 -8.485 -2.228 1.00 70.05 H new ATOM 0 HD1 PHE A 33 -8.857 -5.811 0.447 1.00 41.54 H new ATOM 0 HD2 PHE A 33 -8.879 -6.714 -3.759 1.00 11.53 H new ATOM 0 HE1 PHE A 33 -8.530 -3.422 -0.079 1.00 64.13 H new ATOM 0 HE2 PHE A 33 -8.452 -4.327 -4.270 1.00 63.41 H new ATOM 0 HZ PHE A 33 -8.325 -2.660 -2.430 1.00 51.14 H new ATOM 467 N THR A 34 -10.911 -10.418 -1.561 1.00 11.33 N ATOM 468 CA THR A 34 -11.161 -11.855 -1.601 1.00 4.51 C ATOM 469 C THR A 34 -9.966 -12.503 -2.317 1.00 4.44 C ATOM 470 O THR A 34 -9.235 -11.803 -3.028 1.00 60.42 O ATOM 471 CB THR A 34 -12.527 -12.124 -2.256 1.00 11.51 C ATOM 472 OG1 THR A 34 -12.716 -11.359 -3.428 1.00 2.33 O ATOM 473 CG2 THR A 34 -13.663 -11.740 -1.304 1.00 15.34 C ATOM 0 H THR A 34 -10.680 -10.039 -2.479 1.00 11.33 H new ATOM 0 HA THR A 34 -11.231 -12.301 -0.609 1.00 4.51 H new ATOM 0 HB THR A 34 -12.540 -13.187 -2.495 1.00 11.51 H new ATOM 0 HG1 THR A 34 -12.413 -11.872 -4.206 1.00 2.33 H new ATOM 0 HG21 THR A 34 -14.622 -11.937 -1.784 1.00 15.34 H new ATOM 0 HG22 THR A 34 -13.587 -12.329 -0.390 1.00 15.34 H new ATOM 0 HG23 THR A 34 -13.590 -10.680 -1.060 1.00 15.34 H new ATOM 481 N ALA A 35 -9.755 -13.817 -2.162 1.00 33.25 N ATOM 482 CA ALA A 35 -8.635 -14.528 -2.781 1.00 72.03 C ATOM 483 C ALA A 35 -8.503 -14.284 -4.287 1.00 2.23 C ATOM 484 O ALA A 35 -7.375 -14.255 -4.778 1.00 45.41 O ATOM 485 CB ALA A 35 -8.701 -16.023 -2.481 1.00 24.33 C ATOM 0 H ALA A 35 -10.360 -14.416 -1.601 1.00 33.25 H new ATOM 0 HA ALA A 35 -7.736 -14.111 -2.328 1.00 72.03 H new ATOM 0 HB1 ALA A 35 -7.857 -16.526 -2.953 1.00 24.33 H new ATOM 0 HB2 ALA A 35 -8.661 -16.180 -1.403 1.00 24.33 H new ATOM 0 HB3 ALA A 35 -9.633 -16.432 -2.872 1.00 24.33 H new ATOM 491 N SER A 36 -9.615 -14.107 -5.004 1.00 3.15 N ATOM 492 CA SER A 36 -9.623 -13.836 -6.434 1.00 32.11 C ATOM 493 C SER A 36 -8.812 -12.560 -6.680 1.00 4.51 C ATOM 494 O SER A 36 -7.820 -12.557 -7.407 1.00 33.42 O ATOM 495 CB SER A 36 -11.084 -13.712 -6.895 1.00 64.51 C ATOM 496 OG SER A 36 -11.840 -12.900 -6.010 1.00 11.15 O ATOM 0 H SER A 36 -10.549 -14.150 -4.595 1.00 3.15 H new ATOM 0 HA SER A 36 -9.164 -14.639 -7.010 1.00 32.11 H new ATOM 0 HB2 SER A 36 -11.116 -13.286 -7.898 1.00 64.51 H new ATOM 0 HB3 SER A 36 -11.533 -14.703 -6.955 1.00 64.51 H new ATOM 0 HG SER A 36 -12.684 -12.646 -6.439 1.00 11.15 H new ATOM 502 N GLN A 37 -9.198 -11.478 -6.000 1.00 75.01 N ATOM 503 CA GLN A 37 -8.547 -10.181 -6.085 1.00 22.11 C ATOM 504 C GLN A 37 -7.096 -10.265 -5.606 1.00 1.34 C ATOM 505 O GLN A 37 -6.263 -9.478 -6.046 1.00 24.35 O ATOM 506 CB GLN A 37 -9.311 -9.127 -5.276 1.00 24.13 C ATOM 507 CG GLN A 37 -10.786 -9.009 -5.665 1.00 13.31 C ATOM 508 CD GLN A 37 -11.441 -7.761 -5.075 1.00 13.03 C ATOM 509 OE1 GLN A 37 -11.526 -7.590 -3.860 1.00 73.43 O ATOM 510 NE2 GLN A 37 -11.911 -6.861 -5.922 1.00 63.33 N ATOM 0 H GLN A 37 -9.993 -11.486 -5.361 1.00 75.01 H new ATOM 0 HA GLN A 37 -8.549 -9.879 -7.132 1.00 22.11 H new ATOM 0 HB2 GLN A 37 -9.242 -9.373 -4.216 1.00 24.13 H new ATOM 0 HB3 GLN A 37 -8.830 -8.158 -5.410 1.00 24.13 H new ATOM 0 HG2 GLN A 37 -10.872 -8.983 -6.751 1.00 13.31 H new ATOM 0 HG3 GLN A 37 -11.322 -9.894 -5.323 1.00 13.31 H new ATOM 0 HE21 GLN A 37 -11.833 -7.017 -6.927 1.00 63.33 H new ATOM 0 HE22 GLN A 37 -12.351 -6.011 -5.570 1.00 63.33 H new ATOM 519 N LEU A 38 -6.774 -11.120 -4.628 1.00 64.45 N ATOM 520 CA LEU A 38 -5.400 -11.262 -4.145 1.00 70.13 C ATOM 521 C LEU A 38 -4.467 -11.754 -5.252 1.00 65.54 C ATOM 522 O LEU A 38 -3.260 -11.519 -5.147 1.00 5.15 O ATOM 523 CB LEU A 38 -5.305 -12.170 -2.908 1.00 24.30 C ATOM 524 CG LEU A 38 -5.437 -11.459 -1.554 1.00 12.11 C ATOM 525 CD1 LEU A 38 -4.383 -10.363 -1.371 1.00 3.34 C ATOM 526 CD2 LEU A 38 -6.850 -10.960 -1.247 1.00 64.53 C ATOM 0 H LEU A 38 -7.448 -11.723 -4.157 1.00 64.45 H new ATOM 0 HA LEU A 38 -5.074 -10.267 -3.841 1.00 70.13 H new ATOM 0 HB2 LEU A 38 -6.083 -12.930 -2.977 1.00 24.30 H new ATOM 0 HB3 LEU A 38 -4.348 -12.690 -2.934 1.00 24.30 H new ATOM 0 HG LEU A 38 -5.238 -12.228 -0.807 1.00 12.11 H new ATOM 0 HD11 LEU A 38 -4.516 -9.889 -0.399 1.00 3.34 H new ATOM 0 HD12 LEU A 38 -3.387 -10.803 -1.426 1.00 3.34 H new ATOM 0 HD13 LEU A 38 -4.494 -9.616 -2.157 1.00 3.34 H new ATOM 0 HD21 LEU A 38 -6.859 -10.470 -0.274 1.00 64.53 H new ATOM 0 HD22 LEU A 38 -7.160 -10.250 -2.014 1.00 64.53 H new ATOM 0 HD23 LEU A 38 -7.539 -11.804 -1.235 1.00 64.53 H new ATOM 538 N ASP A 39 -4.990 -12.439 -6.275 1.00 4.05 N ATOM 539 CA ASP A 39 -4.169 -12.910 -7.381 1.00 22.14 C ATOM 540 C ASP A 39 -3.746 -11.695 -8.206 1.00 23.12 C ATOM 541 O ASP A 39 -2.565 -11.540 -8.497 1.00 54.22 O ATOM 542 CB ASP A 39 -4.899 -13.953 -8.230 1.00 50.03 C ATOM 543 CG ASP A 39 -3.886 -14.729 -9.067 1.00 32.11 C ATOM 544 OD1 ASP A 39 -4.001 -14.769 -10.309 1.00 64.11 O ATOM 545 OD2 ASP A 39 -2.985 -15.360 -8.465 1.00 51.11 O ATOM 0 H ASP A 39 -5.979 -12.676 -6.354 1.00 4.05 H new ATOM 0 HA ASP A 39 -3.285 -13.416 -6.993 1.00 22.14 H new ATOM 0 HB2 ASP A 39 -5.455 -14.636 -7.587 1.00 50.03 H new ATOM 0 HB3 ASP A 39 -5.625 -13.465 -8.880 1.00 50.03 H new ATOM 550 N ASP A 40 -4.680 -10.779 -8.502 1.00 43.32 N ATOM 551 CA ASP A 40 -4.405 -9.549 -9.262 1.00 34.22 C ATOM 552 C ASP A 40 -3.352 -8.735 -8.518 1.00 22.23 C ATOM 553 O ASP A 40 -2.423 -8.177 -9.104 1.00 52.20 O ATOM 554 CB ASP A 40 -5.658 -8.667 -9.390 1.00 51.40 C ATOM 555 CG ASP A 40 -6.610 -9.155 -10.463 1.00 12.21 C ATOM 556 OD1 ASP A 40 -7.464 -10.025 -10.173 1.00 23.05 O ATOM 557 OD2 ASP A 40 -6.503 -8.686 -11.615 1.00 75.33 O ATOM 0 H ASP A 40 -5.656 -10.871 -8.219 1.00 43.32 H new ATOM 0 HA ASP A 40 -4.069 -9.842 -10.257 1.00 34.22 H new ATOM 0 HB2 ASP A 40 -6.179 -8.641 -8.433 1.00 51.40 H new ATOM 0 HB3 ASP A 40 -5.356 -7.644 -9.616 1.00 51.40 H new ATOM 562 N LEU A 41 -3.508 -8.665 -7.194 1.00 31.44 N ATOM 563 CA LEU A 41 -2.610 -7.951 -6.306 1.00 23.50 C ATOM 564 C LEU A 41 -1.185 -8.497 -6.405 1.00 40.43 C ATOM 565 O LEU A 41 -0.265 -7.733 -6.130 1.00 60.42 O ATOM 566 CB LEU A 41 -3.127 -7.979 -4.864 1.00 10.30 C ATOM 567 CG LEU A 41 -3.932 -6.750 -4.418 1.00 52.45 C ATOM 568 CD1 LEU A 41 -3.062 -5.512 -4.230 1.00 64.00 C ATOM 569 CD2 LEU A 41 -5.098 -6.377 -5.344 1.00 40.15 C ATOM 0 H LEU A 41 -4.282 -9.116 -6.706 1.00 31.44 H new ATOM 0 HA LEU A 41 -2.580 -6.909 -6.624 1.00 23.50 H new ATOM 0 HB2 LEU A 41 -3.752 -8.864 -4.739 1.00 10.30 H new ATOM 0 HB3 LEU A 41 -2.274 -8.094 -4.195 1.00 10.30 H new ATOM 0 HG LEU A 41 -4.348 -7.066 -3.461 1.00 52.45 H new ATOM 0 HD11 LEU A 41 -3.684 -4.674 -3.915 1.00 64.00 H new ATOM 0 HD12 LEU A 41 -2.307 -5.710 -3.469 1.00 64.00 H new ATOM 0 HD13 LEU A 41 -2.572 -5.265 -5.172 1.00 64.00 H new ATOM 0 HD21 LEU A 41 -5.609 -5.498 -4.950 1.00 40.15 H new ATOM 0 HD22 LEU A 41 -4.715 -6.158 -6.341 1.00 40.15 H new ATOM 0 HD23 LEU A 41 -5.799 -7.210 -5.399 1.00 40.15 H new ATOM 581 N SER A 42 -0.983 -9.785 -6.708 1.00 54.32 N ATOM 582 CA SER A 42 0.344 -10.378 -6.854 1.00 52.43 C ATOM 583 C SER A 42 1.050 -9.644 -8.001 1.00 35.34 C ATOM 584 O SER A 42 2.199 -9.222 -7.854 1.00 61.31 O ATOM 585 CB SER A 42 0.192 -11.882 -7.132 1.00 14.13 C ATOM 586 OG SER A 42 1.409 -12.602 -7.158 1.00 34.31 O ATOM 0 H SER A 42 -1.744 -10.447 -6.859 1.00 54.32 H new ATOM 0 HA SER A 42 0.942 -10.275 -5.948 1.00 52.43 H new ATOM 0 HB2 SER A 42 -0.455 -12.315 -6.369 1.00 14.13 H new ATOM 0 HB3 SER A 42 -0.312 -12.012 -8.090 1.00 14.13 H new ATOM 0 HG SER A 42 1.226 -13.548 -7.338 1.00 34.31 H new ATOM 592 N THR A 43 0.359 -9.454 -9.131 1.00 61.10 N ATOM 593 CA THR A 43 0.901 -8.760 -10.284 1.00 61.04 C ATOM 594 C THR A 43 1.296 -7.346 -9.850 1.00 70.44 C ATOM 595 O THR A 43 2.445 -6.948 -10.030 1.00 72.34 O ATOM 596 CB THR A 43 -0.131 -8.735 -11.430 1.00 0.34 C ATOM 597 OG1 THR A 43 -0.762 -9.990 -11.589 1.00 12.34 O ATOM 598 CG2 THR A 43 0.522 -8.358 -12.762 1.00 53.41 C ATOM 0 H THR A 43 -0.597 -9.783 -9.263 1.00 61.10 H new ATOM 0 HA THR A 43 1.783 -9.279 -10.661 1.00 61.04 H new ATOM 0 HB THR A 43 -0.872 -7.984 -11.156 1.00 0.34 H new ATOM 0 HG1 THR A 43 -1.411 -9.939 -12.322 1.00 12.34 H new ATOM 0 HG21 THR A 43 -0.233 -8.350 -13.548 1.00 53.41 H new ATOM 0 HG22 THR A 43 0.971 -7.368 -12.680 1.00 53.41 H new ATOM 0 HG23 THR A 43 1.294 -9.087 -13.008 1.00 53.41 H new ATOM 606 N ILE A 44 0.370 -6.615 -9.227 1.00 2.43 N ATOM 607 CA ILE A 44 0.570 -5.246 -8.764 1.00 20.11 C ATOM 608 C ILE A 44 1.767 -5.148 -7.810 1.00 22.11 C ATOM 609 O ILE A 44 2.632 -4.290 -7.995 1.00 34.34 O ATOM 610 CB ILE A 44 -0.738 -4.719 -8.130 1.00 34.22 C ATOM 611 CG1 ILE A 44 -1.895 -4.749 -9.155 1.00 52.34 C ATOM 612 CG2 ILE A 44 -0.522 -3.294 -7.595 1.00 3.23 C ATOM 613 CD1 ILE A 44 -3.277 -4.442 -8.580 1.00 21.51 C ATOM 0 H ILE A 44 -0.564 -6.971 -9.026 1.00 2.43 H new ATOM 0 HA ILE A 44 0.811 -4.610 -9.616 1.00 20.11 H new ATOM 0 HB ILE A 44 -1.011 -5.369 -7.299 1.00 34.22 H new ATOM 0 HG12 ILE A 44 -1.679 -4.030 -9.945 1.00 52.34 H new ATOM 0 HG13 ILE A 44 -1.923 -5.734 -9.620 1.00 52.34 H new ATOM 0 HG21 ILE A 44 -1.447 -2.928 -7.150 1.00 3.23 H new ATOM 0 HG22 ILE A 44 0.265 -3.304 -6.841 1.00 3.23 H new ATOM 0 HG23 ILE A 44 -0.230 -2.638 -8.415 1.00 3.23 H new ATOM 0 HD11 ILE A 44 -4.020 -4.487 -9.376 1.00 21.51 H new ATOM 0 HD12 ILE A 44 -3.523 -5.175 -7.812 1.00 21.51 H new ATOM 0 HD13 ILE A 44 -3.275 -3.444 -8.142 1.00 21.51 H new ATOM 625 N ALA A 45 1.831 -6.009 -6.792 1.00 21.00 N ATOM 626 CA ALA A 45 2.900 -6.028 -5.806 1.00 72.21 C ATOM 627 C ALA A 45 4.248 -6.155 -6.506 1.00 21.12 C ATOM 628 O ALA A 45 5.156 -5.361 -6.248 1.00 51.24 O ATOM 629 CB ALA A 45 2.659 -7.169 -4.808 1.00 61.35 C ATOM 0 H ALA A 45 1.123 -6.726 -6.632 1.00 21.00 H new ATOM 0 HA ALA A 45 2.909 -5.093 -5.246 1.00 72.21 H new ATOM 0 HB1 ALA A 45 3.461 -7.182 -4.070 1.00 61.35 H new ATOM 0 HB2 ALA A 45 1.704 -7.016 -4.304 1.00 61.35 H new ATOM 0 HB3 ALA A 45 2.640 -8.120 -5.340 1.00 61.35 H new ATOM 635 N GLN A 46 4.367 -7.110 -7.425 1.00 11.53 N ATOM 636 CA GLN A 46 5.589 -7.325 -8.167 1.00 25.02 C ATOM 637 C GLN A 46 5.912 -6.111 -9.048 1.00 54.45 C ATOM 638 O GLN A 46 7.068 -5.687 -9.092 1.00 71.33 O ATOM 639 CB GLN A 46 5.443 -8.610 -8.974 1.00 14.14 C ATOM 640 CG GLN A 46 5.535 -9.852 -8.077 1.00 74.13 C ATOM 641 CD GLN A 46 6.875 -10.038 -7.367 1.00 41.25 C ATOM 642 OE1 GLN A 46 7.925 -9.614 -7.853 1.00 1.32 O ATOM 643 NE2 GLN A 46 6.885 -10.689 -6.222 1.00 20.35 N ATOM 0 H GLN A 46 3.614 -7.753 -7.670 1.00 11.53 H new ATOM 0 HA GLN A 46 6.432 -7.437 -7.486 1.00 25.02 H new ATOM 0 HB2 GLN A 46 4.486 -8.607 -9.495 1.00 14.14 H new ATOM 0 HB3 GLN A 46 6.221 -8.652 -9.736 1.00 14.14 H new ATOM 0 HG2 GLN A 46 4.747 -9.798 -7.326 1.00 74.13 H new ATOM 0 HG3 GLN A 46 5.337 -10.735 -8.684 1.00 74.13 H new ATOM 0 HE21 GLN A 46 6.012 -11.037 -5.826 1.00 20.35 H new ATOM 0 HE22 GLN A 46 7.766 -10.845 -5.732 1.00 20.35 H new ATOM 652 N SER A 47 4.913 -5.500 -9.703 1.00 61.53 N ATOM 653 CA SER A 47 5.100 -4.319 -10.551 1.00 12.02 C ATOM 654 C SER A 47 5.678 -3.152 -9.729 1.00 55.22 C ATOM 655 O SER A 47 6.299 -2.234 -10.279 1.00 10.11 O ATOM 656 CB SER A 47 3.769 -3.921 -11.204 1.00 5.01 C ATOM 657 OG SER A 47 3.222 -4.986 -11.962 1.00 63.34 O ATOM 0 H SER A 47 3.945 -5.817 -9.657 1.00 61.53 H new ATOM 0 HA SER A 47 5.812 -4.562 -11.340 1.00 12.02 H new ATOM 0 HB2 SER A 47 3.060 -3.621 -10.433 1.00 5.01 H new ATOM 0 HB3 SER A 47 3.924 -3.056 -11.849 1.00 5.01 H new ATOM 0 HG SER A 47 2.904 -5.688 -11.357 1.00 63.34 H new ATOM 663 N LEU A 48 5.472 -3.161 -8.408 1.00 32.32 N ATOM 664 CA LEU A 48 5.977 -2.163 -7.486 1.00 21.43 C ATOM 665 C LEU A 48 7.417 -2.539 -7.126 1.00 31.33 C ATOM 666 O LEU A 48 8.280 -1.664 -7.226 1.00 21.31 O ATOM 667 CB LEU A 48 5.073 -2.050 -6.244 1.00 24.45 C ATOM 668 CG LEU A 48 4.086 -0.877 -6.336 1.00 73.21 C ATOM 669 CD1 LEU A 48 3.061 -1.000 -7.465 1.00 52.14 C ATOM 670 CD2 LEU A 48 3.327 -0.752 -5.019 1.00 14.41 C ATOM 0 H LEU A 48 4.930 -3.891 -7.945 1.00 32.32 H new ATOM 0 HA LEU A 48 5.971 -1.177 -7.950 1.00 21.43 H new ATOM 0 HB2 LEU A 48 4.517 -2.979 -6.118 1.00 24.45 H new ATOM 0 HB3 LEU A 48 5.694 -1.928 -5.357 1.00 24.45 H new ATOM 0 HG LEU A 48 4.692 0.003 -6.550 1.00 73.21 H new ATOM 0 HD11 LEU A 48 2.405 -0.130 -7.457 1.00 52.14 H new ATOM 0 HD12 LEU A 48 3.579 -1.055 -8.422 1.00 52.14 H new ATOM 0 HD13 LEU A 48 2.468 -1.903 -7.321 1.00 52.14 H new ATOM 0 HD21 LEU A 48 2.625 0.080 -5.081 1.00 14.41 H new ATOM 0 HD22 LEU A 48 2.780 -1.675 -4.825 1.00 14.41 H new ATOM 0 HD23 LEU A 48 4.033 -0.572 -4.208 1.00 14.41 H new ATOM 682 N VAL A 49 7.699 -3.791 -6.733 1.00 64.02 N ATOM 683 CA VAL A 49 9.050 -4.253 -6.372 1.00 73.21 C ATOM 684 C VAL A 49 10.032 -4.027 -7.528 1.00 61.22 C ATOM 685 O VAL A 49 11.146 -3.560 -7.280 1.00 0.44 O ATOM 686 CB VAL A 49 9.036 -5.733 -5.912 1.00 74.21 C ATOM 687 CG1 VAL A 49 10.439 -6.271 -5.586 1.00 4.42 C ATOM 688 CG2 VAL A 49 8.201 -5.896 -4.636 1.00 42.11 C ATOM 0 H VAL A 49 6.989 -4.519 -6.656 1.00 64.02 H new ATOM 0 HA VAL A 49 9.395 -3.658 -5.526 1.00 73.21 H new ATOM 0 HB VAL A 49 8.614 -6.291 -6.748 1.00 74.21 H new ATOM 0 HG11 VAL A 49 10.365 -7.312 -5.270 1.00 4.42 H new ATOM 0 HG12 VAL A 49 11.069 -6.205 -6.473 1.00 4.42 H new ATOM 0 HG13 VAL A 49 10.879 -5.678 -4.784 1.00 4.42 H new ATOM 0 HG21 VAL A 49 8.204 -6.942 -4.330 1.00 42.11 H new ATOM 0 HG22 VAL A 49 8.628 -5.284 -3.841 1.00 42.11 H new ATOM 0 HG23 VAL A 49 7.176 -5.577 -4.828 1.00 42.11 H new ATOM 698 N GLN A 50 9.618 -4.280 -8.776 1.00 1.13 N ATOM 699 CA GLN A 50 10.464 -4.095 -9.954 1.00 0.24 C ATOM 700 C GLN A 50 10.997 -2.661 -10.033 1.00 12.55 C ATOM 701 O GLN A 50 12.134 -2.441 -10.454 1.00 0.41 O ATOM 702 CB GLN A 50 9.706 -4.505 -11.223 1.00 74.03 C ATOM 703 CG GLN A 50 9.615 -6.037 -11.310 1.00 42.12 C ATOM 704 CD GLN A 50 8.930 -6.540 -12.576 1.00 45.54 C ATOM 705 OE1 GLN A 50 8.860 -5.861 -13.601 1.00 3.45 O ATOM 706 NE2 GLN A 50 8.423 -7.754 -12.561 1.00 34.50 N ATOM 0 H GLN A 50 8.682 -4.620 -8.994 1.00 1.13 H new ATOM 0 HA GLN A 50 11.334 -4.746 -9.866 1.00 0.24 H new ATOM 0 HB2 GLN A 50 8.705 -4.073 -11.214 1.00 74.03 H new ATOM 0 HB3 GLN A 50 10.215 -4.112 -12.103 1.00 74.03 H new ATOM 0 HG2 GLN A 50 10.620 -6.455 -11.261 1.00 42.12 H new ATOM 0 HG3 GLN A 50 9.072 -6.410 -10.441 1.00 42.12 H new ATOM 0 HE21 GLN A 50 8.479 -8.320 -11.714 1.00 34.50 H new ATOM 0 HE22 GLN A 50 7.974 -8.130 -13.396 1.00 34.50 H new ATOM 715 N SER A 51 10.198 -1.677 -9.620 1.00 63.22 N ATOM 716 CA SER A 51 10.633 -0.295 -9.626 1.00 74.23 C ATOM 717 C SER A 51 11.596 -0.031 -8.455 1.00 71.32 C ATOM 718 O SER A 51 12.585 0.690 -8.633 1.00 10.20 O ATOM 719 CB SER A 51 9.403 0.621 -9.609 1.00 51.11 C ATOM 720 OG SER A 51 8.602 0.431 -10.763 1.00 40.32 O ATOM 0 H SER A 51 9.247 -1.819 -9.278 1.00 63.22 H new ATOM 0 HA SER A 51 11.192 -0.078 -10.536 1.00 74.23 H new ATOM 0 HB2 SER A 51 8.811 0.421 -8.716 1.00 51.11 H new ATOM 0 HB3 SER A 51 9.723 1.662 -9.553 1.00 51.11 H new ATOM 0 HG SER A 51 7.825 1.027 -10.723 1.00 40.32 H new ATOM 726 N ILE A 52 11.335 -0.619 -7.280 1.00 21.33 N ATOM 727 CA ILE A 52 12.143 -0.457 -6.071 1.00 65.02 C ATOM 728 C ILE A 52 13.559 -0.987 -6.291 1.00 11.24 C ATOM 729 O ILE A 52 14.519 -0.284 -5.970 1.00 32.44 O ATOM 730 CB ILE A 52 11.464 -1.125 -4.846 1.00 42.50 C ATOM 731 CG1 ILE A 52 10.098 -0.467 -4.555 1.00 31.51 C ATOM 732 CG2 ILE A 52 12.350 -1.036 -3.593 1.00 62.04 C ATOM 733 CD1 ILE A 52 9.328 -1.056 -3.372 1.00 73.31 C ATOM 0 H ILE A 52 10.534 -1.236 -7.144 1.00 21.33 H new ATOM 0 HA ILE A 52 12.219 0.609 -5.854 1.00 65.02 H new ATOM 0 HB ILE A 52 11.315 -2.176 -5.092 1.00 42.50 H new ATOM 0 HG12 ILE A 52 10.257 0.596 -4.371 1.00 31.51 H new ATOM 0 HG13 ILE A 52 9.477 -0.547 -5.447 1.00 31.51 H new ATOM 0 HG21 ILE A 52 11.843 -1.514 -2.754 1.00 62.04 H new ATOM 0 HG22 ILE A 52 13.297 -1.542 -3.780 1.00 62.04 H new ATOM 0 HG23 ILE A 52 12.539 0.011 -3.354 1.00 62.04 H new ATOM 0 HD11 ILE A 52 8.384 -0.525 -3.252 1.00 73.31 H new ATOM 0 HD12 ILE A 52 9.130 -2.112 -3.556 1.00 73.31 H new ATOM 0 HD13 ILE A 52 9.921 -0.952 -2.464 1.00 73.31 H new ATOM 745 N GLN A 53 13.718 -2.202 -6.827 1.00 12.54 N ATOM 746 CA GLN A 53 15.043 -2.780 -7.052 1.00 71.54 C ATOM 747 C GLN A 53 15.916 -1.867 -7.910 1.00 4.11 C ATOM 748 O GLN A 53 17.118 -1.741 -7.660 1.00 14.45 O ATOM 749 CB GLN A 53 14.934 -4.211 -7.595 1.00 61.25 C ATOM 750 CG GLN A 53 14.254 -4.344 -8.960 1.00 10.15 C ATOM 751 CD GLN A 53 13.989 -5.803 -9.303 1.00 24.33 C ATOM 752 OE1 GLN A 53 12.986 -6.380 -8.898 1.00 61.03 O ATOM 753 NE2 GLN A 53 14.862 -6.445 -10.055 1.00 13.43 N ATOM 0 H GLN A 53 12.944 -2.802 -7.112 1.00 12.54 H new ATOM 0 HA GLN A 53 15.553 -2.856 -6.092 1.00 71.54 H new ATOM 0 HB2 GLN A 53 15.937 -4.633 -7.665 1.00 61.25 H new ATOM 0 HB3 GLN A 53 14.384 -4.815 -6.873 1.00 61.25 H new ATOM 0 HG2 GLN A 53 13.314 -3.792 -8.956 1.00 10.15 H new ATOM 0 HG3 GLN A 53 14.884 -3.896 -9.728 1.00 10.15 H new ATOM 0 HE21 GLN A 53 15.696 -5.964 -10.392 1.00 13.43 H new ATOM 0 HE22 GLN A 53 14.703 -7.422 -10.300 1.00 13.43 H new ATOM 762 N SER A 54 15.322 -1.193 -8.890 1.00 33.23 N ATOM 763 CA SER A 54 16.046 -0.272 -9.753 1.00 22.12 C ATOM 764 C SER A 54 16.555 0.927 -8.942 1.00 44.01 C ATOM 765 O SER A 54 17.705 1.341 -9.111 1.00 73.14 O ATOM 766 CB SER A 54 15.163 0.102 -10.942 1.00 73.24 C ATOM 767 OG SER A 54 14.890 -1.075 -11.681 1.00 65.14 O ATOM 0 H SER A 54 14.328 -1.271 -9.106 1.00 33.23 H new ATOM 0 HA SER A 54 16.938 -0.744 -10.165 1.00 22.12 H new ATOM 0 HB2 SER A 54 14.235 0.558 -10.597 1.00 73.24 H new ATOM 0 HB3 SER A 54 15.665 0.837 -11.571 1.00 73.24 H new ATOM 0 HG SER A 54 14.086 -1.507 -11.323 1.00 65.14 H new ATOM 773 N LEU A 55 15.743 1.488 -8.040 1.00 73.01 N ATOM 774 CA LEU A 55 16.192 2.608 -7.213 1.00 41.14 C ATOM 775 C LEU A 55 17.244 2.107 -6.214 1.00 52.41 C ATOM 776 O LEU A 55 18.138 2.862 -5.832 1.00 74.14 O ATOM 777 CB LEU A 55 15.017 3.303 -6.504 1.00 2.00 C ATOM 778 CG LEU A 55 14.361 4.416 -7.348 1.00 11.52 C ATOM 779 CD1 LEU A 55 13.064 4.895 -6.698 1.00 74.40 C ATOM 780 CD2 LEU A 55 15.266 5.617 -7.645 1.00 40.23 C ATOM 0 H LEU A 55 14.784 1.188 -7.867 1.00 73.01 H new ATOM 0 HA LEU A 55 16.646 3.362 -7.856 1.00 41.14 H new ATOM 0 HB2 LEU A 55 14.263 2.557 -6.251 1.00 2.00 H new ATOM 0 HB3 LEU A 55 15.370 3.730 -5.565 1.00 2.00 H new ATOM 0 HG LEU A 55 14.155 3.951 -8.312 1.00 11.52 H new ATOM 0 HD11 LEU A 55 12.619 5.679 -7.310 1.00 74.40 H new ATOM 0 HD12 LEU A 55 12.368 4.060 -6.616 1.00 74.40 H new ATOM 0 HD13 LEU A 55 13.279 5.288 -5.704 1.00 74.40 H new ATOM 0 HD21 LEU A 55 14.719 6.346 -8.243 1.00 40.23 H new ATOM 0 HD22 LEU A 55 15.579 6.077 -6.708 1.00 40.23 H new ATOM 0 HD23 LEU A 55 16.145 5.283 -8.196 1.00 40.23 H new ATOM 792 N ALA A 56 17.165 0.854 -5.753 1.00 32.34 N ATOM 793 CA ALA A 56 18.146 0.292 -4.825 1.00 52.04 C ATOM 794 C ALA A 56 19.504 0.159 -5.525 1.00 52.45 C ATOM 795 O ALA A 56 20.540 0.346 -4.884 1.00 71.52 O ATOM 796 CB ALA A 56 17.655 -1.040 -4.269 1.00 50.52 C ATOM 0 H ALA A 56 16.422 0.205 -6.013 1.00 32.34 H new ATOM 0 HA ALA A 56 18.271 0.965 -3.977 1.00 52.04 H new ATOM 0 HB1 ALA A 56 18.398 -1.443 -3.581 1.00 50.52 H new ATOM 0 HB2 ALA A 56 16.714 -0.889 -3.740 1.00 50.52 H new ATOM 0 HB3 ALA A 56 17.501 -1.742 -5.089 1.00 50.52 H new ATOM 802 N ALA A 57 19.510 -0.140 -6.831 1.00 4.24 N ATOM 803 CA ALA A 57 20.739 -0.249 -7.606 1.00 44.40 C ATOM 804 C ALA A 57 21.380 1.140 -7.670 1.00 41.24 C ATOM 805 O ALA A 57 22.587 1.260 -7.473 1.00 12.44 O ATOM 806 CB ALA A 57 20.457 -0.802 -9.005 1.00 55.44 C ATOM 0 H ALA A 57 18.663 -0.311 -7.372 1.00 4.24 H new ATOM 0 HA ALA A 57 21.425 -0.948 -7.128 1.00 44.40 H new ATOM 0 HB1 ALA A 57 21.391 -0.874 -9.563 1.00 55.44 H new ATOM 0 HB2 ALA A 57 20.008 -1.791 -8.921 1.00 55.44 H new ATOM 0 HB3 ALA A 57 19.772 -0.135 -9.528 1.00 55.44 H new ATOM 812 N GLN A 58 20.574 2.194 -7.873 1.00 31.23 N ATOM 813 CA GLN A 58 21.080 3.562 -7.934 1.00 44.03 C ATOM 814 C GLN A 58 21.591 4.026 -6.568 1.00 71.13 C ATOM 815 O GLN A 58 22.476 4.879 -6.526 1.00 22.34 O ATOM 816 CB GLN A 58 19.971 4.527 -8.394 1.00 4.10 C ATOM 817 CG GLN A 58 19.762 4.443 -9.907 1.00 34.51 C ATOM 818 CD GLN A 58 18.598 5.285 -10.426 1.00 65.24 C ATOM 819 OE1 GLN A 58 18.185 6.285 -9.838 1.00 32.13 O ATOM 820 NE2 GLN A 58 18.066 4.896 -11.574 1.00 4.52 N ATOM 0 H GLN A 58 19.565 2.117 -7.998 1.00 31.23 H new ATOM 0 HA GLN A 58 21.903 3.570 -8.648 1.00 44.03 H new ATOM 0 HB2 GLN A 58 19.040 4.287 -7.881 1.00 4.10 H new ATOM 0 HB3 GLN A 58 20.234 5.548 -8.116 1.00 4.10 H new ATOM 0 HG2 GLN A 58 20.677 4.761 -10.407 1.00 34.51 H new ATOM 0 HG3 GLN A 58 19.594 3.402 -10.182 1.00 34.51 H new ATOM 0 HE21 GLN A 58 18.422 4.065 -12.046 1.00 4.52 H new ATOM 0 HE22 GLN A 58 17.300 5.428 -11.987 1.00 4.52 H new ATOM 829 N GLY A 59 21.057 3.486 -5.468 1.00 33.33 N ATOM 830 CA GLY A 59 21.455 3.846 -4.110 1.00 40.31 C ATOM 831 C GLY A 59 20.972 5.233 -3.685 1.00 32.51 C ATOM 832 O GLY A 59 21.280 5.688 -2.583 1.00 5.40 O ATOM 0 H GLY A 59 20.325 2.776 -5.500 1.00 33.33 H new ATOM 0 HA2 GLY A 59 21.062 3.104 -3.415 1.00 40.31 H new ATOM 0 HA3 GLY A 59 22.542 3.809 -4.036 1.00 40.31 H new ATOM 836 N ARG A 60 20.206 5.905 -4.544 1.00 75.31 N ATOM 837 CA ARG A 60 19.659 7.235 -4.359 1.00 34.51 C ATOM 838 C ARG A 60 18.212 7.223 -4.826 1.00 23.44 C ATOM 839 O ARG A 60 17.838 6.389 -5.649 1.00 52.22 O ATOM 840 CB ARG A 60 20.490 8.176 -5.254 1.00 72.42 C ATOM 841 CG ARG A 60 20.221 9.677 -5.072 1.00 23.21 C ATOM 842 CD ARG A 60 20.758 10.226 -3.747 1.00 4.52 C ATOM 843 NE ARG A 60 22.212 10.412 -3.802 1.00 23.03 N ATOM 844 CZ ARG A 60 22.952 11.235 -3.055 1.00 22.11 C ATOM 845 NH1 ARG A 60 22.416 11.903 -2.038 1.00 63.43 N ATOM 846 NH2 ARG A 60 24.231 11.398 -3.369 1.00 64.25 N ATOM 0 H ARG A 60 19.938 5.503 -5.442 1.00 75.31 H new ATOM 0 HA ARG A 60 19.695 7.558 -3.318 1.00 34.51 H new ATOM 0 HB2 ARG A 60 21.547 7.989 -5.064 1.00 72.42 H new ATOM 0 HB3 ARG A 60 20.303 7.916 -6.296 1.00 72.42 H new ATOM 0 HG2 ARG A 60 20.677 10.225 -5.897 1.00 23.21 H new ATOM 0 HG3 ARG A 60 19.147 9.857 -5.125 1.00 23.21 H new ATOM 0 HD2 ARG A 60 20.275 11.177 -3.522 1.00 4.52 H new ATOM 0 HD3 ARG A 60 20.506 9.541 -2.937 1.00 4.52 H new ATOM 0 HE ARG A 60 22.714 9.849 -4.488 1.00 23.03 H new ATOM 0 HH11 ARG A 60 21.426 11.790 -1.819 1.00 63.43 H new ATOM 0 HH12 ARG A 60 22.995 12.528 -1.477 1.00 63.43 H new ATOM 0 HH21 ARG A 60 24.628 10.900 -4.166 1.00 64.25 H new ATOM 0 HH22 ARG A 60 24.817 12.021 -2.814 1.00 64.25 H new ATOM 860 N THR A 61 17.414 8.161 -4.332 1.00 34.41 N ATOM 861 CA THR A 61 16.019 8.333 -4.680 1.00 71.13 C ATOM 862 C THR A 61 15.724 9.839 -4.645 1.00 63.33 C ATOM 863 O THR A 61 16.488 10.611 -4.052 1.00 14.14 O ATOM 864 CB THR A 61 15.108 7.546 -3.712 1.00 65.21 C ATOM 865 OG1 THR A 61 15.239 8.009 -2.380 1.00 34.02 O ATOM 866 CG2 THR A 61 15.332 6.043 -3.643 1.00 45.23 C ATOM 0 H THR A 61 17.739 8.848 -3.651 1.00 34.41 H new ATOM 0 HA THR A 61 15.816 7.938 -5.675 1.00 71.13 H new ATOM 0 HB THR A 61 14.122 7.726 -4.139 1.00 65.21 H new ATOM 0 HG1 THR A 61 14.775 7.395 -1.773 1.00 34.02 H new ATOM 0 HG21 THR A 61 14.634 5.603 -2.931 1.00 45.23 H new ATOM 0 HG22 THR A 61 15.169 5.605 -4.628 1.00 45.23 H new ATOM 0 HG23 THR A 61 16.354 5.842 -3.321 1.00 45.23 H new ATOM 874 N SER A 62 14.654 10.282 -5.302 1.00 30.24 N ATOM 875 CA SER A 62 14.207 11.672 -5.345 1.00 33.24 C ATOM 876 C SER A 62 12.861 11.669 -4.605 1.00 44.31 C ATOM 877 O SER A 62 12.078 10.739 -4.815 1.00 2.45 O ATOM 878 CB SER A 62 14.117 12.190 -6.788 1.00 21.41 C ATOM 879 OG SER A 62 15.247 11.812 -7.562 1.00 61.32 O ATOM 0 H SER A 62 14.052 9.658 -5.839 1.00 30.24 H new ATOM 0 HA SER A 62 14.907 12.358 -4.868 1.00 33.24 H new ATOM 0 HB2 SER A 62 13.212 11.803 -7.256 1.00 21.41 H new ATOM 0 HB3 SER A 62 14.032 13.277 -6.778 1.00 21.41 H new ATOM 0 HG SER A 62 15.150 12.159 -8.473 1.00 61.32 H new ATOM 885 N PRO A 63 12.543 12.666 -3.763 1.00 14.54 N ATOM 886 CA PRO A 63 11.299 12.680 -3.001 1.00 4.22 C ATOM 887 C PRO A 63 10.055 12.644 -3.868 1.00 31.52 C ATOM 888 O PRO A 63 9.194 11.806 -3.630 1.00 74.10 O ATOM 889 CB PRO A 63 11.331 13.941 -2.132 1.00 44.21 C ATOM 890 CG PRO A 63 12.311 14.835 -2.882 1.00 21.33 C ATOM 891 CD PRO A 63 13.332 13.836 -3.426 1.00 22.15 C ATOM 0 HA PRO A 63 11.238 11.775 -2.397 1.00 4.22 H new ATOM 0 HB2 PRO A 63 10.346 14.400 -2.047 1.00 44.21 H new ATOM 0 HB3 PRO A 63 11.671 13.727 -1.119 1.00 44.21 H new ATOM 0 HG2 PRO A 63 11.821 15.390 -3.683 1.00 21.33 H new ATOM 0 HG3 PRO A 63 12.775 15.569 -2.223 1.00 21.33 H new ATOM 0 HD2 PRO A 63 13.850 14.232 -4.300 1.00 22.15 H new ATOM 0 HD3 PRO A 63 14.094 13.601 -2.683 1.00 22.15 H new ATOM 899 N ASN A 64 9.972 13.496 -4.893 1.00 3.12 N ATOM 900 CA ASN A 64 8.791 13.539 -5.741 1.00 65.41 C ATOM 901 C ASN A 64 8.463 12.183 -6.385 1.00 12.43 C ATOM 902 O ASN A 64 7.406 11.614 -6.117 1.00 71.24 O ATOM 903 CB ASN A 64 8.939 14.628 -6.808 1.00 31.41 C ATOM 904 CG ASN A 64 7.785 14.518 -7.793 1.00 4.12 C ATOM 905 OD1 ASN A 64 7.966 14.006 -8.891 1.00 12.24 O ATOM 906 ND2 ASN A 64 6.595 14.930 -7.399 1.00 24.44 N ATOM 0 H ASN A 64 10.705 14.158 -5.150 1.00 3.12 H new ATOM 0 HA ASN A 64 7.948 13.783 -5.095 1.00 65.41 H new ATOM 0 HB2 ASN A 64 8.943 15.613 -6.342 1.00 31.41 H new ATOM 0 HB3 ASN A 64 9.890 14.518 -7.329 1.00 31.41 H new ATOM 0 HD21 ASN A 64 5.789 14.826 -8.016 1.00 24.44 H new ATOM 0 HD22 ASN A 64 6.481 15.352 -6.477 1.00 24.44 H new ATOM 913 N LYS A 65 9.397 11.615 -7.156 1.00 25.12 N ATOM 914 CA LYS A 65 9.172 10.332 -7.826 1.00 10.40 C ATOM 915 C LYS A 65 9.011 9.175 -6.839 1.00 40.42 C ATOM 916 O LYS A 65 8.343 8.202 -7.171 1.00 13.42 O ATOM 917 CB LYS A 65 10.224 10.087 -8.923 1.00 32.23 C ATOM 918 CG LYS A 65 11.591 9.626 -8.404 1.00 44.34 C ATOM 919 CD LYS A 65 12.727 9.903 -9.400 1.00 3.42 C ATOM 920 CE LYS A 65 12.664 9.111 -10.712 1.00 60.53 C ATOM 921 NZ LYS A 65 13.052 7.697 -10.546 1.00 54.03 N ATOM 0 H LYS A 65 10.315 12.024 -7.331 1.00 25.12 H new ATOM 0 HA LYS A 65 8.211 10.384 -8.338 1.00 10.40 H new ATOM 0 HB2 LYS A 65 9.841 9.337 -9.615 1.00 32.23 H new ATOM 0 HB3 LYS A 65 10.357 11.007 -9.492 1.00 32.23 H new ATOM 0 HG2 LYS A 65 11.807 10.132 -7.463 1.00 44.34 H new ATOM 0 HG3 LYS A 65 11.553 8.558 -8.191 1.00 44.34 H new ATOM 0 HD2 LYS A 65 12.727 10.967 -9.638 1.00 3.42 H new ATOM 0 HD3 LYS A 65 13.677 9.686 -8.911 1.00 3.42 H new ATOM 0 HE2 LYS A 65 11.651 9.160 -11.113 1.00 60.53 H new ATOM 0 HE3 LYS A 65 13.320 9.579 -11.446 1.00 60.53 H new ATOM 0 HZ1 LYS A 65 12.991 7.210 -11.463 1.00 54.03 H new ATOM 0 HZ2 LYS A 65 14.028 7.644 -10.190 1.00 54.03 H new ATOM 0 HZ3 LYS A 65 12.411 7.238 -9.868 1.00 54.03 H new ATOM 935 N LEU A 66 9.647 9.228 -5.661 1.00 14.13 N ATOM 936 CA LEU A 66 9.520 8.170 -4.660 1.00 75.32 C ATOM 937 C LEU A 66 8.142 8.264 -3.987 1.00 70.23 C ATOM 938 O LEU A 66 7.537 7.235 -3.695 1.00 41.03 O ATOM 939 CB LEU A 66 10.650 8.280 -3.619 1.00 22.24 C ATOM 940 CG LEU A 66 10.749 7.065 -2.679 1.00 34.31 C ATOM 941 CD1 LEU A 66 11.443 5.901 -3.394 1.00 64.55 C ATOM 942 CD2 LEU A 66 11.565 7.440 -1.444 1.00 15.42 C ATOM 0 H LEU A 66 10.256 9.997 -5.381 1.00 14.13 H new ATOM 0 HA LEU A 66 9.607 7.199 -5.147 1.00 75.32 H new ATOM 0 HB2 LEU A 66 11.600 8.403 -4.139 1.00 22.24 H new ATOM 0 HB3 LEU A 66 10.495 9.178 -3.021 1.00 22.24 H new ATOM 0 HG LEU A 66 9.743 6.765 -2.386 1.00 34.31 H new ATOM 0 HD11 LEU A 66 11.508 5.047 -2.720 1.00 64.55 H new ATOM 0 HD12 LEU A 66 10.869 5.623 -4.278 1.00 64.55 H new ATOM 0 HD13 LEU A 66 12.446 6.204 -3.693 1.00 64.55 H new ATOM 0 HD21 LEU A 66 11.635 6.579 -0.779 1.00 15.42 H new ATOM 0 HD22 LEU A 66 12.566 7.745 -1.748 1.00 15.42 H new ATOM 0 HD23 LEU A 66 11.077 8.263 -0.922 1.00 15.42 H new ATOM 954 N GLN A 67 7.632 9.474 -3.738 1.00 12.22 N ATOM 955 CA GLN A 67 6.334 9.694 -3.109 1.00 12.24 C ATOM 956 C GLN A 67 5.200 9.329 -4.070 1.00 23.22 C ATOM 957 O GLN A 67 4.177 8.815 -3.621 1.00 14.31 O ATOM 958 CB GLN A 67 6.217 11.153 -2.631 1.00 61.00 C ATOM 959 CG GLN A 67 4.915 11.397 -1.852 1.00 32.11 C ATOM 960 CD GLN A 67 4.865 12.786 -1.220 1.00 22.33 C ATOM 961 OE1 GLN A 67 4.842 13.808 -1.905 1.00 61.13 O ATOM 962 NE2 GLN A 67 4.799 12.872 0.099 1.00 31.12 N ATOM 0 H GLN A 67 8.120 10.339 -3.973 1.00 12.22 H new ATOM 0 HA GLN A 67 6.249 9.044 -2.238 1.00 12.24 H new ATOM 0 HB2 GLN A 67 7.070 11.397 -1.998 1.00 61.00 H new ATOM 0 HB3 GLN A 67 6.256 11.821 -3.491 1.00 61.00 H new ATOM 0 HG2 GLN A 67 4.065 11.276 -2.524 1.00 32.11 H new ATOM 0 HG3 GLN A 67 4.815 10.642 -1.072 1.00 32.11 H new ATOM 0 HE21 GLN A 67 4.818 12.025 0.667 1.00 31.12 H new ATOM 0 HE22 GLN A 67 4.729 13.785 0.548 1.00 31.12 H new ATOM 971 N ALA A 68 5.365 9.549 -5.380 1.00 24.12 N ATOM 972 CA ALA A 68 4.333 9.215 -6.359 1.00 34.03 C ATOM 973 C ALA A 68 3.973 7.721 -6.292 1.00 12.42 C ATOM 974 O ALA A 68 2.813 7.367 -6.489 1.00 23.31 O ATOM 975 CB ALA A 68 4.788 9.628 -7.762 1.00 22.34 C ATOM 0 H ALA A 68 6.208 9.958 -5.784 1.00 24.12 H new ATOM 0 HA ALA A 68 3.427 9.772 -6.121 1.00 34.03 H new ATOM 0 HB1 ALA A 68 4.013 9.375 -8.485 1.00 22.34 H new ATOM 0 HB2 ALA A 68 4.969 10.703 -7.784 1.00 22.34 H new ATOM 0 HB3 ALA A 68 5.707 9.100 -8.016 1.00 22.34 H new ATOM 981 N LEU A 69 4.923 6.858 -5.915 1.00 51.54 N ATOM 982 CA LEU A 69 4.703 5.420 -5.794 1.00 40.14 C ATOM 983 C LEU A 69 3.572 5.138 -4.801 1.00 42.21 C ATOM 984 O LEU A 69 2.751 4.254 -5.042 1.00 53.31 O ATOM 985 CB LEU A 69 5.975 4.706 -5.303 1.00 44.24 C ATOM 986 CG LEU A 69 7.255 4.999 -6.105 1.00 71.11 C ATOM 987 CD1 LEU A 69 8.464 4.404 -5.381 1.00 12.43 C ATOM 988 CD2 LEU A 69 7.186 4.453 -7.535 1.00 23.22 C ATOM 0 H LEU A 69 5.874 7.145 -5.684 1.00 51.54 H new ATOM 0 HA LEU A 69 4.437 5.044 -6.782 1.00 40.14 H new ATOM 0 HB2 LEU A 69 6.148 4.984 -4.263 1.00 44.24 H new ATOM 0 HB3 LEU A 69 5.796 3.631 -5.320 1.00 44.24 H new ATOM 0 HG LEU A 69 7.355 6.082 -6.176 1.00 71.11 H new ATOM 0 HD11 LEU A 69 9.369 4.613 -5.951 1.00 12.43 H new ATOM 0 HD12 LEU A 69 8.549 4.848 -4.389 1.00 12.43 H new ATOM 0 HD13 LEU A 69 8.336 3.326 -5.285 1.00 12.43 H new ATOM 0 HD21 LEU A 69 8.113 4.686 -8.059 1.00 23.22 H new ATOM 0 HD22 LEU A 69 7.048 3.372 -7.506 1.00 23.22 H new ATOM 0 HD23 LEU A 69 6.348 4.912 -8.060 1.00 23.22 H new ATOM 1000 N ASN A 70 3.517 5.901 -3.702 1.00 52.04 N ATOM 1001 CA ASN A 70 2.517 5.767 -2.647 1.00 0.01 C ATOM 1002 C ASN A 70 1.123 6.052 -3.198 1.00 23.01 C ATOM 1003 O ASN A 70 0.178 5.338 -2.867 1.00 12.32 O ATOM 1004 CB ASN A 70 2.824 6.702 -1.456 1.00 24.45 C ATOM 1005 CG ASN A 70 4.022 6.255 -0.620 1.00 31.04 C ATOM 1006 OD1 ASN A 70 4.915 5.571 -1.101 1.00 34.24 O ATOM 1007 ND2 ASN A 70 4.090 6.621 0.647 1.00 24.05 N ATOM 0 H ASN A 70 4.188 6.648 -3.522 1.00 52.04 H new ATOM 0 HA ASN A 70 2.552 4.740 -2.283 1.00 0.01 H new ATOM 0 HB2 ASN A 70 3.010 7.708 -1.833 1.00 24.45 H new ATOM 0 HB3 ASN A 70 1.945 6.760 -0.814 1.00 24.45 H new ATOM 0 HD21 ASN A 70 4.884 6.333 1.219 1.00 24.05 H new ATOM 0 HD22 ASN A 70 3.348 7.191 1.054 1.00 24.05 H new ATOM 1014 N MET A 71 0.969 7.122 -3.985 1.00 13.33 N ATOM 1015 CA MET A 71 -0.326 7.461 -4.571 1.00 13.45 C ATOM 1016 C MET A 71 -0.682 6.480 -5.687 1.00 4.41 C ATOM 1017 O MET A 71 -1.839 6.089 -5.763 1.00 32.40 O ATOM 1018 CB MET A 71 -0.413 8.948 -4.951 1.00 2.24 C ATOM 1019 CG MET A 71 0.505 9.364 -6.088 1.00 32.42 C ATOM 1020 SD MET A 71 0.401 11.094 -6.611 1.00 12.23 S ATOM 1021 CE MET A 71 0.989 11.948 -5.130 1.00 64.31 C ATOM 0 H MET A 71 1.723 7.764 -4.228 1.00 13.33 H new ATOM 0 HA MET A 71 -1.105 7.339 -3.818 1.00 13.45 H new ATOM 0 HB2 MET A 71 -1.441 9.179 -5.228 1.00 2.24 H new ATOM 0 HB3 MET A 71 -0.177 9.549 -4.073 1.00 2.24 H new ATOM 0 HG2 MET A 71 1.533 9.158 -5.790 1.00 32.42 H new ATOM 0 HG3 MET A 71 0.290 8.732 -6.950 1.00 32.42 H new ATOM 0 HE1 MET A 71 1.116 13.009 -5.348 1.00 64.31 H new ATOM 0 HE2 MET A 71 0.262 11.827 -4.327 1.00 64.31 H new ATOM 0 HE3 MET A 71 1.945 11.524 -4.821 1.00 64.31 H new ATOM 1031 N ALA A 72 0.283 6.031 -6.500 1.00 74.33 N ATOM 1032 CA ALA A 72 0.032 5.072 -7.574 1.00 1.50 C ATOM 1033 C ALA A 72 -0.493 3.768 -6.957 1.00 23.23 C ATOM 1034 O ALA A 72 -1.425 3.153 -7.472 1.00 32.53 O ATOM 1035 CB ALA A 72 1.318 4.855 -8.379 1.00 35.41 C ATOM 0 H ALA A 72 1.257 6.324 -6.429 1.00 74.33 H new ATOM 0 HA ALA A 72 -0.723 5.450 -8.264 1.00 1.50 H new ATOM 0 HB1 ALA A 72 1.130 4.140 -9.180 1.00 35.41 H new ATOM 0 HB2 ALA A 72 1.643 5.803 -8.808 1.00 35.41 H new ATOM 0 HB3 ALA A 72 2.097 4.468 -7.722 1.00 35.41 H new ATOM 1041 N PHE A 73 0.084 3.365 -5.819 1.00 74.23 N ATOM 1042 CA PHE A 73 -0.308 2.176 -5.080 1.00 41.22 C ATOM 1043 C PHE A 73 -1.756 2.338 -4.608 1.00 42.23 C ATOM 1044 O PHE A 73 -2.571 1.437 -4.795 1.00 64.22 O ATOM 1045 CB PHE A 73 0.649 1.992 -3.896 1.00 75.40 C ATOM 1046 CG PHE A 73 0.386 0.805 -2.989 1.00 35.13 C ATOM 1047 CD1 PHE A 73 0.702 0.908 -1.620 1.00 22.32 C ATOM 1048 CD2 PHE A 73 -0.149 -0.401 -3.490 1.00 51.45 C ATOM 1049 CE1 PHE A 73 0.494 -0.193 -0.773 1.00 52.00 C ATOM 1050 CE2 PHE A 73 -0.386 -1.482 -2.627 1.00 40.03 C ATOM 1051 CZ PHE A 73 -0.072 -1.379 -1.266 1.00 3.04 C ATOM 0 H PHE A 73 0.853 3.873 -5.383 1.00 74.23 H new ATOM 0 HA PHE A 73 -0.251 1.289 -5.711 1.00 41.22 H new ATOM 0 HB2 PHE A 73 1.662 1.904 -4.287 1.00 75.40 H new ATOM 0 HB3 PHE A 73 0.619 2.897 -3.290 1.00 75.40 H new ATOM 0 HD1 PHE A 73 1.102 1.829 -1.224 1.00 22.32 H new ATOM 0 HD2 PHE A 73 -0.377 -0.492 -4.542 1.00 51.45 H new ATOM 0 HE1 PHE A 73 0.772 -0.126 0.268 1.00 52.00 H new ATOM 0 HE2 PHE A 73 -0.812 -2.396 -3.014 1.00 40.03 H new ATOM 0 HZ PHE A 73 -0.264 -2.207 -0.600 1.00 3.04 H new ATOM 1061 N ALA A 74 -2.087 3.492 -4.014 1.00 20.41 N ATOM 1062 CA ALA A 74 -3.434 3.769 -3.539 1.00 35.33 C ATOM 1063 C ALA A 74 -4.429 3.703 -4.704 1.00 65.01 C ATOM 1064 O ALA A 74 -5.511 3.135 -4.546 1.00 64.34 O ATOM 1065 CB ALA A 74 -3.478 5.116 -2.827 1.00 0.14 C ATOM 0 H ALA A 74 -1.426 4.252 -3.853 1.00 20.41 H new ATOM 0 HA ALA A 74 -3.724 3.008 -2.815 1.00 35.33 H new ATOM 0 HB1 ALA A 74 -4.492 5.310 -2.477 1.00 0.14 H new ATOM 0 HB2 ALA A 74 -2.797 5.100 -1.976 1.00 0.14 H new ATOM 0 HB3 ALA A 74 -3.176 5.903 -3.518 1.00 0.14 H new ATOM 1071 N SER A 75 -4.050 4.232 -5.871 1.00 52.45 N ATOM 1072 CA SER A 75 -4.866 4.212 -7.072 1.00 73.42 C ATOM 1073 C SER A 75 -5.139 2.749 -7.458 1.00 50.40 C ATOM 1074 O SER A 75 -6.284 2.404 -7.733 1.00 72.04 O ATOM 1075 CB SER A 75 -4.172 5.002 -8.184 1.00 62.54 C ATOM 1076 OG SER A 75 -4.032 6.366 -7.836 1.00 34.54 O ATOM 0 H SER A 75 -3.150 4.693 -6.002 1.00 52.45 H new ATOM 0 HA SER A 75 -5.827 4.696 -6.899 1.00 73.42 H new ATOM 0 HB2 SER A 75 -3.190 4.572 -8.380 1.00 62.54 H new ATOM 0 HB3 SER A 75 -4.747 4.917 -9.106 1.00 62.54 H new ATOM 0 HG SER A 75 -4.885 6.828 -7.975 1.00 34.54 H new ATOM 1082 N SER A 76 -4.136 1.862 -7.431 1.00 33.01 N ATOM 1083 CA SER A 76 -4.323 0.448 -7.755 1.00 33.53 C ATOM 1084 C SER A 76 -5.284 -0.218 -6.761 1.00 53.40 C ATOM 1085 O SER A 76 -6.118 -1.046 -7.150 1.00 43.44 O ATOM 1086 CB SER A 76 -2.974 -0.274 -7.736 1.00 33.45 C ATOM 1087 OG SER A 76 -2.292 -0.043 -8.949 1.00 42.33 O ATOM 0 H SER A 76 -3.177 2.106 -7.185 1.00 33.01 H new ATOM 0 HA SER A 76 -4.757 0.379 -8.753 1.00 33.53 H new ATOM 0 HB2 SER A 76 -2.374 0.079 -6.898 1.00 33.45 H new ATOM 0 HB3 SER A 76 -3.126 -1.344 -7.591 1.00 33.45 H new ATOM 0 HG SER A 76 -1.428 -0.506 -8.932 1.00 42.33 H new ATOM 1093 N LEU A 77 -5.182 0.114 -5.470 1.00 34.21 N ATOM 1094 CA LEU A 77 -6.059 -0.445 -4.441 1.00 21.11 C ATOM 1095 C LEU A 77 -7.502 -0.021 -4.723 1.00 41.53 C ATOM 1096 O LEU A 77 -8.421 -0.810 -4.502 1.00 34.34 O ATOM 1097 CB LEU A 77 -5.599 0.005 -3.043 1.00 44.05 C ATOM 1098 CG LEU A 77 -4.408 -0.822 -2.525 1.00 52.40 C ATOM 1099 CD1 LEU A 77 -3.581 -0.020 -1.519 1.00 54.23 C ATOM 1100 CD2 LEU A 77 -4.866 -2.128 -1.864 1.00 5.11 C ATOM 0 H LEU A 77 -4.492 0.775 -5.112 1.00 34.21 H new ATOM 0 HA LEU A 77 -6.008 -1.534 -4.465 1.00 21.11 H new ATOM 0 HB2 LEU A 77 -5.320 1.058 -3.076 1.00 44.05 H new ATOM 0 HB3 LEU A 77 -6.431 -0.082 -2.344 1.00 44.05 H new ATOM 0 HG LEU A 77 -3.795 -1.064 -3.393 1.00 52.40 H new ATOM 0 HD11 LEU A 77 -2.746 -0.627 -1.169 1.00 54.23 H new ATOM 0 HD12 LEU A 77 -3.199 0.881 -1.999 1.00 54.23 H new ATOM 0 HD13 LEU A 77 -4.208 0.258 -0.672 1.00 54.23 H new ATOM 0 HD21 LEU A 77 -3.996 -2.682 -1.512 1.00 5.11 H new ATOM 0 HD22 LEU A 77 -5.517 -1.900 -1.020 1.00 5.11 H new ATOM 0 HD23 LEU A 77 -5.411 -2.731 -2.590 1.00 5.11 H new ATOM 1112 N ALA A 78 -7.704 1.208 -5.211 1.00 43.42 N ATOM 1113 CA ALA A 78 -9.015 1.747 -5.541 1.00 51.40 C ATOM 1114 C ALA A 78 -9.536 1.100 -6.822 1.00 2.33 C ATOM 1115 O ALA A 78 -10.695 0.716 -6.868 1.00 23.33 O ATOM 1116 CB ALA A 78 -8.929 3.267 -5.698 1.00 32.22 C ATOM 0 H ALA A 78 -6.942 1.863 -5.389 1.00 43.42 H new ATOM 0 HA ALA A 78 -9.711 1.522 -4.733 1.00 51.40 H new ATOM 0 HB1 ALA A 78 -9.914 3.664 -5.945 1.00 32.22 H new ATOM 0 HB2 ALA A 78 -8.583 3.710 -4.764 1.00 32.22 H new ATOM 0 HB3 ALA A 78 -8.229 3.511 -6.497 1.00 32.22 H new ATOM 1122 N GLU A 79 -8.677 0.910 -7.823 1.00 31.11 N ATOM 1123 CA GLU A 79 -8.995 0.312 -9.113 1.00 32.51 C ATOM 1124 C GLU A 79 -9.605 -1.081 -8.907 1.00 2.41 C ATOM 1125 O GLU A 79 -10.710 -1.345 -9.386 1.00 30.22 O ATOM 1126 CB GLU A 79 -7.712 0.321 -9.964 1.00 2.44 C ATOM 1127 CG GLU A 79 -7.866 -0.253 -11.374 1.00 70.34 C ATOM 1128 CD GLU A 79 -6.673 0.145 -12.253 1.00 60.24 C ATOM 1129 OE1 GLU A 79 -5.615 -0.522 -12.202 1.00 21.22 O ATOM 1130 OE2 GLU A 79 -6.785 1.161 -12.981 1.00 10.21 O ATOM 0 H GLU A 79 -7.697 1.182 -7.750 1.00 31.11 H new ATOM 0 HA GLU A 79 -9.752 0.881 -9.653 1.00 32.51 H new ATOM 0 HB2 GLU A 79 -7.354 1.347 -10.043 1.00 2.44 H new ATOM 0 HB3 GLU A 79 -6.942 -0.245 -9.440 1.00 2.44 H new ATOM 0 HG2 GLU A 79 -7.941 -1.339 -11.324 1.00 70.34 H new ATOM 0 HG3 GLU A 79 -8.791 0.110 -11.821 1.00 70.34 H new ATOM 1137 N ILE A 80 -8.926 -1.956 -8.158 1.00 34.23 N ATOM 1138 CA ILE A 80 -9.427 -3.305 -7.886 1.00 54.25 C ATOM 1139 C ILE A 80 -10.682 -3.214 -6.999 1.00 42.15 C ATOM 1140 O ILE A 80 -11.628 -3.971 -7.201 1.00 35.32 O ATOM 1141 CB ILE A 80 -8.306 -4.184 -7.282 1.00 4.13 C ATOM 1142 CG1 ILE A 80 -7.114 -4.388 -8.247 1.00 21.23 C ATOM 1143 CG2 ILE A 80 -8.814 -5.559 -6.815 1.00 15.33 C ATOM 1144 CD1 ILE A 80 -7.415 -5.183 -9.523 1.00 53.53 C ATOM 0 H ILE A 80 -8.024 -1.752 -7.728 1.00 34.23 H new ATOM 0 HA ILE A 80 -9.725 -3.794 -8.813 1.00 54.25 H new ATOM 0 HB ILE A 80 -7.958 -3.625 -6.413 1.00 4.13 H new ATOM 0 HG12 ILE A 80 -6.732 -3.408 -8.534 1.00 21.23 H new ATOM 0 HG13 ILE A 80 -6.316 -4.895 -7.705 1.00 21.23 H new ATOM 0 HG21 ILE A 80 -7.984 -6.132 -6.401 1.00 15.33 H new ATOM 0 HG22 ILE A 80 -9.579 -5.424 -6.051 1.00 15.33 H new ATOM 0 HG23 ILE A 80 -9.239 -6.097 -7.662 1.00 15.33 H new ATOM 0 HD11 ILE A 80 -6.509 -5.264 -10.123 1.00 53.53 H new ATOM 0 HD12 ILE A 80 -7.764 -6.181 -9.256 1.00 53.53 H new ATOM 0 HD13 ILE A 80 -8.186 -4.670 -10.098 1.00 53.53 H new ATOM 1156 N ALA A 81 -10.721 -2.301 -6.022 1.00 33.22 N ATOM 1157 CA ALA A 81 -11.877 -2.137 -5.142 1.00 73.25 C ATOM 1158 C ALA A 81 -13.108 -1.626 -5.897 1.00 55.01 C ATOM 1159 O ALA A 81 -14.222 -1.921 -5.473 1.00 64.24 O ATOM 1160 CB ALA A 81 -11.531 -1.153 -4.034 1.00 72.44 C ATOM 0 H ALA A 81 -9.954 -1.659 -5.822 1.00 33.22 H new ATOM 0 HA ALA A 81 -12.119 -3.116 -4.728 1.00 73.25 H new ATOM 0 HB1 ALA A 81 -12.391 -1.029 -3.376 1.00 72.44 H new ATOM 0 HB2 ALA A 81 -10.687 -1.534 -3.459 1.00 72.44 H new ATOM 0 HB3 ALA A 81 -11.267 -0.190 -4.472 1.00 72.44 H new ATOM 1166 N ALA A 82 -12.939 -0.878 -6.987 1.00 45.53 N ATOM 1167 CA ALA A 82 -14.045 -0.356 -7.774 1.00 60.13 C ATOM 1168 C ALA A 82 -14.622 -1.459 -8.671 1.00 72.00 C ATOM 1169 O ALA A 82 -15.759 -1.324 -9.129 1.00 30.12 O ATOM 1170 CB ALA A 82 -13.578 0.853 -8.592 1.00 0.14 C ATOM 0 H ALA A 82 -12.021 -0.618 -7.348 1.00 45.53 H new ATOM 0 HA ALA A 82 -14.841 -0.022 -7.108 1.00 60.13 H new ATOM 0 HB1 ALA A 82 -14.411 1.239 -9.179 1.00 0.14 H new ATOM 0 HB2 ALA A 82 -13.218 1.631 -7.919 1.00 0.14 H new ATOM 0 HB3 ALA A 82 -12.772 0.550 -9.261 1.00 0.14 H new ATOM 1176 N SER A 83 -13.869 -2.537 -8.930 1.00 2.22 N ATOM 1177 CA SER A 83 -14.311 -3.661 -9.744 1.00 75.24 C ATOM 1178 C SER A 83 -15.520 -4.308 -9.057 1.00 25.30 C ATOM 1179 O SER A 83 -15.762 -4.114 -7.859 1.00 73.51 O ATOM 1180 CB SER A 83 -13.153 -4.667 -9.888 1.00 32.44 C ATOM 1181 OG SER A 83 -13.417 -5.716 -10.810 1.00 33.43 O ATOM 0 H SER A 83 -12.921 -2.647 -8.570 1.00 2.22 H new ATOM 0 HA SER A 83 -14.602 -3.330 -10.741 1.00 75.24 H new ATOM 0 HB2 SER A 83 -12.257 -4.133 -10.206 1.00 32.44 H new ATOM 0 HB3 SER A 83 -12.936 -5.100 -8.911 1.00 32.44 H new ATOM 0 HG SER A 83 -12.643 -6.315 -10.854 1.00 33.43 H new ATOM 1187 N GLU A 84 -16.276 -5.097 -9.816 1.00 25.41 N ATOM 1188 CA GLU A 84 -17.449 -5.805 -9.321 1.00 22.14 C ATOM 1189 C GLU A 84 -17.067 -6.834 -8.251 1.00 35.43 C ATOM 1190 O GLU A 84 -17.850 -7.093 -7.331 1.00 54.42 O ATOM 1191 CB GLU A 84 -18.121 -6.516 -10.504 1.00 34.21 C ATOM 1192 CG GLU A 84 -19.133 -5.595 -11.191 1.00 71.43 C ATOM 1193 CD GLU A 84 -20.412 -5.415 -10.368 1.00 2.34 C ATOM 1194 OE1 GLU A 84 -20.897 -6.388 -9.746 1.00 31.30 O ATOM 1195 OE2 GLU A 84 -20.980 -4.301 -10.350 1.00 21.35 O ATOM 0 H GLU A 84 -16.087 -5.263 -10.804 1.00 25.41 H new ATOM 0 HA GLU A 84 -18.131 -5.088 -8.865 1.00 22.14 H new ATOM 0 HB2 GLU A 84 -17.364 -6.831 -11.222 1.00 34.21 H new ATOM 0 HB3 GLU A 84 -18.623 -7.418 -10.154 1.00 34.21 H new ATOM 0 HG2 GLU A 84 -18.675 -4.621 -11.363 1.00 71.43 H new ATOM 0 HG3 GLU A 84 -19.388 -6.005 -12.168 1.00 71.43 H new ATOM 1202 N GLU A 85 -15.874 -7.410 -8.396 1.00 24.43 N ATOM 1203 CA GLU A 85 -15.292 -8.418 -7.522 1.00 21.53 C ATOM 1204 C GLU A 85 -15.052 -7.869 -6.110 1.00 1.14 C ATOM 1205 O GLU A 85 -14.975 -6.657 -5.910 1.00 30.34 O ATOM 1206 CB GLU A 85 -13.985 -8.900 -8.176 1.00 32.23 C ATOM 1207 CG GLU A 85 -13.456 -10.239 -7.641 1.00 70.15 C ATOM 1208 CD GLU A 85 -14.422 -11.417 -7.783 1.00 60.23 C ATOM 1209 OE1 GLU A 85 -15.316 -11.403 -8.662 1.00 54.31 O ATOM 1210 OE2 GLU A 85 -14.253 -12.402 -7.030 1.00 24.25 O ATOM 0 H GLU A 85 -15.256 -7.169 -9.171 1.00 24.43 H new ATOM 0 HA GLU A 85 -15.980 -9.255 -7.403 1.00 21.53 H new ATOM 0 HB2 GLU A 85 -14.144 -8.991 -9.250 1.00 32.23 H new ATOM 0 HB3 GLU A 85 -13.219 -8.138 -8.031 1.00 32.23 H new ATOM 0 HG2 GLU A 85 -12.531 -10.482 -8.163 1.00 70.15 H new ATOM 0 HG3 GLU A 85 -13.205 -10.119 -6.587 1.00 70.15 H new ATOM 1217 N GLY A 86 -14.855 -8.762 -5.141 1.00 5.12 N ATOM 1218 CA GLY A 86 -14.627 -8.463 -3.735 1.00 32.13 C ATOM 1219 C GLY A 86 -15.782 -9.072 -2.942 1.00 74.24 C ATOM 1220 O GLY A 86 -16.626 -9.788 -3.499 1.00 33.43 O ATOM 0 H GLY A 86 -14.851 -9.764 -5.329 1.00 5.12 H new ATOM 0 HA2 GLY A 86 -13.675 -8.878 -3.405 1.00 32.13 H new ATOM 0 HA3 GLY A 86 -14.578 -7.386 -3.575 1.00 32.13 H new ATOM 1224 N GLY A 87 -15.839 -8.820 -1.638 1.00 14.15 N ATOM 1225 CA GLY A 87 -16.906 -9.339 -0.788 1.00 62.33 C ATOM 1226 C GLY A 87 -17.257 -8.408 0.365 1.00 4.01 C ATOM 1227 O GLY A 87 -17.910 -8.839 1.313 1.00 65.51 O ATOM 0 H GLY A 87 -15.151 -8.253 -1.142 1.00 14.15 H new ATOM 0 HA2 GLY A 87 -17.796 -9.508 -1.394 1.00 62.33 H new ATOM 0 HA3 GLY A 87 -16.605 -10.307 -0.387 1.00 62.33 H new ATOM 1231 N GLY A 88 -16.813 -7.152 0.326 1.00 3.24 N ATOM 1232 CA GLY A 88 -17.073 -6.167 1.363 1.00 33.40 C ATOM 1233 C GLY A 88 -17.373 -4.819 0.734 1.00 11.53 C ATOM 1234 O GLY A 88 -16.906 -4.539 -0.374 1.00 1.41 O ATOM 0 H GLY A 88 -16.252 -6.789 -0.444 1.00 3.24 H new ATOM 0 HA2 GLY A 88 -17.915 -6.487 1.977 1.00 33.40 H new ATOM 0 HA3 GLY A 88 -16.210 -6.085 2.023 1.00 33.40 H new ATOM 1238 N SER A 89 -18.125 -3.979 1.444 1.00 0.44 N ATOM 1239 CA SER A 89 -18.519 -2.658 0.978 1.00 53.51 C ATOM 1240 C SER A 89 -17.287 -1.890 0.496 1.00 43.33 C ATOM 1241 O SER A 89 -16.235 -1.939 1.133 1.00 15.14 O ATOM 1242 CB SER A 89 -19.194 -1.923 2.133 1.00 33.22 C ATOM 1243 OG SER A 89 -20.407 -2.529 2.553 1.00 34.41 O ATOM 0 H SER A 89 -18.481 -4.204 2.373 1.00 0.44 H new ATOM 0 HA SER A 89 -19.214 -2.741 0.143 1.00 53.51 H new ATOM 0 HB2 SER A 89 -18.507 -1.879 2.978 1.00 33.22 H new ATOM 0 HB3 SER A 89 -19.395 -0.895 1.832 1.00 33.22 H new ATOM 0 HG SER A 89 -20.790 -2.015 3.294 1.00 34.41 H new ATOM 1249 N LEU A 90 -17.427 -1.090 -0.562 1.00 1.22 N ATOM 1250 CA LEU A 90 -16.329 -0.326 -1.147 1.00 61.42 C ATOM 1251 C LEU A 90 -15.630 0.571 -0.127 1.00 20.20 C ATOM 1252 O LEU A 90 -14.399 0.584 -0.082 1.00 21.33 O ATOM 1253 CB LEU A 90 -16.827 0.430 -2.387 1.00 54.55 C ATOM 1254 CG LEU A 90 -15.683 0.832 -3.340 1.00 62.21 C ATOM 1255 CD1 LEU A 90 -16.193 0.900 -4.780 1.00 12.31 C ATOM 1256 CD2 LEU A 90 -15.069 2.192 -3.007 1.00 2.43 C ATOM 0 H LEU A 90 -18.317 -0.954 -1.041 1.00 1.22 H new ATOM 0 HA LEU A 90 -15.555 -1.021 -1.473 1.00 61.42 H new ATOM 0 HB2 LEU A 90 -17.540 -0.194 -2.925 1.00 54.55 H new ATOM 0 HB3 LEU A 90 -17.362 1.325 -2.071 1.00 54.55 H new ATOM 0 HG LEU A 90 -14.917 0.066 -3.219 1.00 62.21 H new ATOM 0 HD11 LEU A 90 -15.376 1.185 -5.442 1.00 12.31 H new ATOM 0 HD12 LEU A 90 -16.577 -0.076 -5.076 1.00 12.31 H new ATOM 0 HD13 LEU A 90 -16.990 1.640 -4.849 1.00 12.31 H new ATOM 0 HD21 LEU A 90 -14.271 2.414 -3.715 1.00 2.43 H new ATOM 0 HD22 LEU A 90 -15.836 2.963 -3.072 1.00 2.43 H new ATOM 0 HD23 LEU A 90 -14.662 2.170 -1.996 1.00 2.43 H new ATOM 1268 N SER A 91 -16.379 1.312 0.694 1.00 22.24 N ATOM 1269 CA SER A 91 -15.780 2.183 1.702 1.00 35.32 C ATOM 1270 C SER A 91 -15.084 1.329 2.763 1.00 31.53 C ATOM 1271 O SER A 91 -13.910 1.538 3.056 1.00 12.45 O ATOM 1272 CB SER A 91 -16.861 3.083 2.309 1.00 0.44 C ATOM 1273 OG SER A 91 -16.306 4.131 3.065 1.00 55.23 O ATOM 0 H SER A 91 -17.399 1.325 0.679 1.00 22.24 H new ATOM 0 HA SER A 91 -15.028 2.828 1.247 1.00 35.32 H new ATOM 0 HB2 SER A 91 -17.478 3.497 1.512 1.00 0.44 H new ATOM 0 HB3 SER A 91 -17.517 2.486 2.942 1.00 0.44 H new ATOM 0 HG SER A 91 -17.025 4.684 3.435 1.00 55.23 H new ATOM 1279 N THR A 92 -15.785 0.333 3.308 1.00 0.12 N ATOM 1280 CA THR A 92 -15.268 -0.560 4.334 1.00 62.00 C ATOM 1281 C THR A 92 -13.978 -1.258 3.890 1.00 61.14 C ATOM 1282 O THR A 92 -13.059 -1.395 4.691 1.00 2.25 O ATOM 1283 CB THR A 92 -16.379 -1.539 4.717 1.00 63.41 C ATOM 1284 OG1 THR A 92 -17.588 -0.826 4.904 1.00 15.15 O ATOM 1285 CG2 THR A 92 -16.017 -2.259 6.005 1.00 13.50 C ATOM 0 H THR A 92 -16.747 0.125 3.040 1.00 0.12 H new ATOM 0 HA THR A 92 -14.983 0.012 5.217 1.00 62.00 H new ATOM 0 HB THR A 92 -16.500 -2.272 3.919 1.00 63.41 H new ATOM 0 HG1 THR A 92 -18.302 -1.451 5.148 1.00 15.15 H new ATOM 0 HG21 THR A 92 -16.814 -2.954 6.270 1.00 13.50 H new ATOM 0 HG22 THR A 92 -15.087 -2.810 5.865 1.00 13.50 H new ATOM 0 HG23 THR A 92 -15.890 -1.530 6.806 1.00 13.50 H new ATOM 1293 N LYS A 93 -13.857 -1.593 2.604 1.00 4.32 N ATOM 1294 CA LYS A 93 -12.685 -2.236 2.016 1.00 43.32 C ATOM 1295 C LYS A 93 -11.423 -1.431 2.389 1.00 3.45 C ATOM 1296 O LYS A 93 -10.436 -2.031 2.823 1.00 54.13 O ATOM 1297 CB LYS A 93 -12.912 -2.433 0.494 1.00 74.45 C ATOM 1298 CG LYS A 93 -11.994 -3.497 -0.125 1.00 24.22 C ATOM 1299 CD LYS A 93 -12.244 -3.837 -1.615 1.00 2.53 C ATOM 1300 CE LYS A 93 -13.371 -4.819 -1.959 1.00 71.13 C ATOM 1301 NZ LYS A 93 -14.712 -4.214 -2.101 1.00 12.43 N ATOM 0 H LYS A 93 -14.596 -1.418 1.924 1.00 4.32 H new ATOM 0 HA LYS A 93 -12.528 -3.236 2.419 1.00 43.32 H new ATOM 0 HB2 LYS A 93 -13.951 -2.715 0.322 1.00 74.45 H new ATOM 0 HB3 LYS A 93 -12.751 -1.483 -0.016 1.00 74.45 H new ATOM 0 HG2 LYS A 93 -10.962 -3.162 -0.019 1.00 24.22 H new ATOM 0 HG3 LYS A 93 -12.093 -4.414 0.456 1.00 24.22 H new ATOM 0 HD2 LYS A 93 -12.446 -2.903 -2.140 1.00 2.53 H new ATOM 0 HD3 LYS A 93 -11.317 -4.239 -2.024 1.00 2.53 H new ATOM 0 HE2 LYS A 93 -13.118 -5.325 -2.890 1.00 71.13 H new ATOM 0 HE3 LYS A 93 -13.415 -5.583 -1.183 1.00 71.13 H new ATOM 0 HZ1 LYS A 93 -15.307 -4.495 -1.296 1.00 12.43 H new ATOM 0 HZ2 LYS A 93 -14.625 -3.178 -2.122 1.00 12.43 H new ATOM 0 HZ3 LYS A 93 -15.149 -4.542 -2.986 1.00 12.43 H new ATOM 1315 N THR A 94 -11.450 -0.088 2.317 1.00 54.44 N ATOM 1316 CA THR A 94 -10.303 0.763 2.672 1.00 51.31 C ATOM 1317 C THR A 94 -9.977 0.653 4.165 1.00 2.33 C ATOM 1318 O THR A 94 -8.822 0.811 4.570 1.00 71.31 O ATOM 1319 CB THR A 94 -10.455 2.220 2.188 1.00 74.15 C ATOM 1320 OG1 THR A 94 -11.341 3.016 2.941 1.00 73.22 O ATOM 1321 CG2 THR A 94 -10.941 2.271 0.743 1.00 74.21 C ATOM 0 H THR A 94 -12.269 0.437 2.011 1.00 54.44 H new ATOM 0 HA THR A 94 -9.440 0.381 2.127 1.00 51.31 H new ATOM 0 HB THR A 94 -9.452 2.629 2.305 1.00 74.15 H new ATOM 0 HG1 THR A 94 -11.353 3.926 2.577 1.00 73.22 H new ATOM 0 HG21 THR A 94 -11.039 3.310 0.429 1.00 74.21 H new ATOM 0 HG22 THR A 94 -10.223 1.763 0.099 1.00 74.21 H new ATOM 0 HG23 THR A 94 -11.909 1.776 0.667 1.00 74.21 H new ATOM 1329 N SER A 95 -10.987 0.423 5.003 1.00 54.44 N ATOM 1330 CA SER A 95 -10.856 0.261 6.439 1.00 63.00 C ATOM 1331 C SER A 95 -10.138 -1.062 6.726 1.00 60.00 C ATOM 1332 O SER A 95 -9.270 -1.104 7.599 1.00 23.00 O ATOM 1333 CB SER A 95 -12.253 0.336 7.080 1.00 2.55 C ATOM 1334 OG SER A 95 -12.197 0.710 8.444 1.00 43.55 O ATOM 0 H SER A 95 -11.952 0.343 4.682 1.00 54.44 H new ATOM 0 HA SER A 95 -10.255 1.058 6.877 1.00 63.00 H new ATOM 0 HB2 SER A 95 -12.864 1.054 6.533 1.00 2.55 H new ATOM 0 HB3 SER A 95 -12.744 -0.633 6.991 1.00 2.55 H new ATOM 0 HG SER A 95 -13.105 0.747 8.811 1.00 43.55 H new ATOM 1340 N SER A 96 -10.435 -2.132 5.980 1.00 12.12 N ATOM 1341 CA SER A 96 -9.795 -3.423 6.202 1.00 73.50 C ATOM 1342 C SER A 96 -8.308 -3.369 5.838 1.00 63.43 C ATOM 1343 O SER A 96 -7.489 -4.035 6.468 1.00 23.12 O ATOM 1344 CB SER A 96 -10.499 -4.499 5.370 1.00 24.21 C ATOM 1345 OG SER A 96 -11.909 -4.389 5.426 1.00 45.03 O ATOM 0 H SER A 96 -11.114 -2.124 5.219 1.00 12.12 H new ATOM 0 HA SER A 96 -9.877 -3.670 7.260 1.00 73.50 H new ATOM 0 HB2 SER A 96 -10.173 -4.424 4.333 1.00 24.21 H new ATOM 0 HB3 SER A 96 -10.200 -5.484 5.728 1.00 24.21 H new ATOM 0 HG SER A 96 -12.314 -5.094 4.879 1.00 45.03 H new ATOM 1351 N ILE A 97 -7.941 -2.563 4.836 1.00 31.05 N ATOM 1352 CA ILE A 97 -6.559 -2.425 4.393 1.00 63.31 C ATOM 1353 C ILE A 97 -5.707 -1.848 5.522 1.00 22.20 C ATOM 1354 O ILE A 97 -4.623 -2.369 5.763 1.00 24.01 O ATOM 1355 CB ILE A 97 -6.488 -1.543 3.137 1.00 75.13 C ATOM 1356 CG1 ILE A 97 -7.117 -2.266 1.935 1.00 20.42 C ATOM 1357 CG2 ILE A 97 -5.051 -1.167 2.752 1.00 2.22 C ATOM 1358 CD1 ILE A 97 -7.724 -1.267 0.945 1.00 63.13 C ATOM 0 H ILE A 97 -8.600 -1.988 4.311 1.00 31.05 H new ATOM 0 HA ILE A 97 -6.165 -3.408 4.135 1.00 63.31 H new ATOM 0 HB ILE A 97 -7.036 -0.633 3.382 1.00 75.13 H new ATOM 0 HG12 ILE A 97 -6.360 -2.867 1.431 1.00 20.42 H new ATOM 0 HG13 ILE A 97 -7.889 -2.952 2.283 1.00 20.42 H new ATOM 0 HG21 ILE A 97 -5.065 -0.544 1.858 1.00 2.22 H new ATOM 0 HG22 ILE A 97 -4.587 -0.617 3.571 1.00 2.22 H new ATOM 0 HG23 ILE A 97 -4.478 -2.073 2.554 1.00 2.22 H new ATOM 0 HD11 ILE A 97 -8.161 -1.807 0.105 1.00 63.13 H new ATOM 0 HD12 ILE A 97 -8.498 -0.684 1.445 1.00 63.13 H new ATOM 0 HD13 ILE A 97 -6.945 -0.598 0.580 1.00 63.13 H new ATOM 1370 N ALA A 98 -6.163 -0.800 6.224 1.00 25.34 N ATOM 1371 CA ALA A 98 -5.370 -0.222 7.311 1.00 5.33 C ATOM 1372 C ALA A 98 -5.096 -1.262 8.398 1.00 61.43 C ATOM 1373 O ALA A 98 -4.018 -1.251 8.994 1.00 42.53 O ATOM 1374 CB ALA A 98 -6.045 1.010 7.913 1.00 64.23 C ATOM 0 H ALA A 98 -7.061 -0.344 6.061 1.00 25.34 H new ATOM 0 HA ALA A 98 -4.419 0.096 6.882 1.00 5.33 H new ATOM 0 HB1 ALA A 98 -5.425 1.409 8.716 1.00 64.23 H new ATOM 0 HB2 ALA A 98 -6.172 1.769 7.141 1.00 64.23 H new ATOM 0 HB3 ALA A 98 -7.021 0.732 8.312 1.00 64.23 H new ATOM 1380 N SER A 99 -6.058 -2.160 8.625 1.00 12.41 N ATOM 1381 CA SER A 99 -5.960 -3.230 9.605 1.00 21.05 C ATOM 1382 C SER A 99 -4.970 -4.304 9.129 1.00 72.43 C ATOM 1383 O SER A 99 -4.302 -4.941 9.946 1.00 43.34 O ATOM 1384 CB SER A 99 -7.359 -3.797 9.856 1.00 54.43 C ATOM 1385 OG SER A 99 -8.271 -2.756 10.159 1.00 30.31 O ATOM 0 H SER A 99 -6.943 -2.158 8.119 1.00 12.41 H new ATOM 0 HA SER A 99 -5.572 -2.846 10.548 1.00 21.05 H new ATOM 0 HB2 SER A 99 -7.700 -4.342 8.976 1.00 54.43 H new ATOM 0 HB3 SER A 99 -7.326 -4.510 10.680 1.00 54.43 H new ATOM 0 HG SER A 99 -8.530 -2.297 9.333 1.00 30.31 H new ATOM 1391 N ALA A 100 -4.862 -4.522 7.814 1.00 62.42 N ATOM 1392 CA ALA A 100 -3.933 -5.496 7.258 1.00 62.41 C ATOM 1393 C ALA A 100 -2.519 -4.904 7.250 1.00 21.02 C ATOM 1394 O ALA A 100 -1.546 -5.619 7.473 1.00 1.45 O ATOM 1395 CB ALA A 100 -4.377 -5.862 5.844 1.00 15.43 C ATOM 0 H ALA A 100 -5.415 -4.028 7.113 1.00 62.42 H new ATOM 0 HA ALA A 100 -3.926 -6.400 7.867 1.00 62.41 H new ATOM 0 HB1 ALA A 100 -3.685 -6.591 5.423 1.00 15.43 H new ATOM 0 HB2 ALA A 100 -5.379 -6.289 5.877 1.00 15.43 H new ATOM 0 HB3 ALA A 100 -4.384 -4.967 5.222 1.00 15.43 H new ATOM 1401 N LEU A 101 -2.397 -3.595 6.999 1.00 72.34 N ATOM 1402 CA LEU A 101 -1.131 -2.869 6.960 1.00 24.24 C ATOM 1403 C LEU A 101 -0.493 -2.874 8.336 1.00 4.13 C ATOM 1404 O LEU A 101 0.711 -3.110 8.428 1.00 61.23 O ATOM 1405 CB LEU A 101 -1.331 -1.429 6.467 1.00 72.41 C ATOM 1406 CG LEU A 101 -1.528 -1.371 4.945 1.00 15.51 C ATOM 1407 CD1 LEU A 101 -2.104 -0.015 4.523 1.00 25.41 C ATOM 1408 CD2 LEU A 101 -0.214 -1.591 4.202 1.00 72.54 C ATOM 0 H LEU A 101 -3.203 -2.998 6.813 1.00 72.34 H new ATOM 0 HA LEU A 101 -0.468 -3.372 6.256 1.00 24.24 H new ATOM 0 HB2 LEU A 101 -2.198 -0.992 6.963 1.00 72.41 H new ATOM 0 HB3 LEU A 101 -0.467 -0.826 6.745 1.00 72.41 H new ATOM 0 HG LEU A 101 -2.224 -2.168 4.686 1.00 15.51 H new ATOM 0 HD11 LEU A 101 -2.235 0.004 3.441 1.00 25.41 H new ATOM 0 HD12 LEU A 101 -3.068 0.138 5.008 1.00 25.41 H new ATOM 0 HD13 LEU A 101 -1.419 0.779 4.819 1.00 25.41 H new ATOM 0 HD21 LEU A 101 -0.391 -1.543 3.128 1.00 72.54 H new ATOM 0 HD22 LEU A 101 0.499 -0.817 4.487 1.00 72.54 H new ATOM 0 HD23 LEU A 101 0.190 -2.570 4.460 1.00 72.54 H new ATOM 1420 N SER A 102 -1.270 -2.607 9.392 1.00 60.14 N ATOM 1421 CA SER A 102 -0.746 -2.625 10.753 1.00 73.55 C ATOM 1422 C SER A 102 -0.161 -4.021 11.000 1.00 31.35 C ATOM 1423 O SER A 102 1.004 -4.146 11.379 1.00 63.44 O ATOM 1424 CB SER A 102 -1.834 -2.215 11.762 1.00 73.45 C ATOM 1425 OG SER A 102 -3.070 -2.856 11.521 1.00 15.20 O ATOM 0 H SER A 102 -2.261 -2.377 9.325 1.00 60.14 H new ATOM 0 HA SER A 102 0.049 -1.892 10.888 1.00 73.55 H new ATOM 0 HB2 SER A 102 -1.497 -2.453 12.771 1.00 73.45 H new ATOM 0 HB3 SER A 102 -1.975 -1.135 11.719 1.00 73.45 H new ATOM 0 HG SER A 102 -3.544 -2.392 10.800 1.00 15.20 H new ATOM 1431 N ASN A 103 -0.930 -5.069 10.676 1.00 33.43 N ATOM 1432 CA ASN A 103 -0.517 -6.460 10.836 1.00 5.04 C ATOM 1433 C ASN A 103 0.777 -6.753 10.067 1.00 71.13 C ATOM 1434 O ASN A 103 1.657 -7.446 10.576 1.00 5.45 O ATOM 1435 CB ASN A 103 -1.640 -7.414 10.397 1.00 52.52 C ATOM 1436 CG ASN A 103 -1.474 -8.771 11.065 1.00 73.02 C ATOM 1437 OD1 ASN A 103 -1.545 -8.863 12.289 1.00 70.53 O ATOM 1438 ND2 ASN A 103 -1.280 -9.844 10.322 1.00 64.33 N ATOM 0 H ASN A 103 -1.869 -4.968 10.290 1.00 33.43 H new ATOM 0 HA ASN A 103 -0.317 -6.627 11.894 1.00 5.04 H new ATOM 0 HB2 ASN A 103 -2.609 -6.989 10.658 1.00 52.52 H new ATOM 0 HB3 ASN A 103 -1.624 -7.531 9.313 1.00 52.52 H new ATOM 0 HD21 ASN A 103 -1.188 -10.759 10.762 1.00 64.33 H new ATOM 0 HD22 ASN A 103 -1.222 -9.758 9.307 1.00 64.33 H new ATOM 1445 N ALA A 104 0.915 -6.230 8.844 1.00 33.21 N ATOM 1446 CA ALA A 104 2.091 -6.417 8.003 1.00 24.11 C ATOM 1447 C ALA A 104 3.319 -5.757 8.643 1.00 40.33 C ATOM 1448 O ALA A 104 4.347 -6.415 8.792 1.00 31.40 O ATOM 1449 CB ALA A 104 1.818 -5.879 6.588 1.00 12.15 C ATOM 0 H ALA A 104 0.195 -5.654 8.407 1.00 33.21 H new ATOM 0 HA ALA A 104 2.306 -7.482 7.916 1.00 24.11 H new ATOM 0 HB1 ALA A 104 2.702 -6.023 5.967 1.00 12.15 H new ATOM 0 HB2 ALA A 104 0.976 -6.416 6.151 1.00 12.15 H new ATOM 0 HB3 ALA A 104 1.582 -4.816 6.642 1.00 12.15 H new ATOM 1455 N PHE A 105 3.229 -4.481 9.046 1.00 33.42 N ATOM 1456 CA PHE A 105 4.347 -3.769 9.674 1.00 71.11 C ATOM 1457 C PHE A 105 4.802 -4.468 10.959 1.00 62.35 C ATOM 1458 O PHE A 105 5.995 -4.477 11.279 1.00 63.53 O ATOM 1459 CB PHE A 105 3.980 -2.312 9.990 1.00 41.21 C ATOM 1460 CG PHE A 105 4.214 -1.317 8.876 1.00 23.34 C ATOM 1461 CD1 PHE A 105 5.537 -0.993 8.518 1.00 14.45 C ATOM 1462 CD2 PHE A 105 3.136 -0.675 8.241 1.00 13.23 C ATOM 1463 CE1 PHE A 105 5.781 -0.038 7.517 1.00 11.30 C ATOM 1464 CE2 PHE A 105 3.382 0.296 7.255 1.00 1.21 C ATOM 1465 CZ PHE A 105 4.703 0.610 6.890 1.00 32.21 C ATOM 0 H PHE A 105 2.384 -3.918 8.946 1.00 33.42 H new ATOM 0 HA PHE A 105 5.167 -3.777 8.956 1.00 71.11 H new ATOM 0 HB2 PHE A 105 2.927 -2.275 10.269 1.00 41.21 H new ATOM 0 HB3 PHE A 105 4.552 -1.994 10.862 1.00 41.21 H new ATOM 0 HD1 PHE A 105 6.365 -1.479 9.013 1.00 14.45 H new ATOM 0 HD2 PHE A 105 2.121 -0.928 8.510 1.00 13.23 H new ATOM 0 HE1 PHE A 105 6.795 0.198 7.230 1.00 11.30 H new ATOM 0 HE2 PHE A 105 2.556 0.801 6.777 1.00 1.21 H new ATOM 0 HZ PHE A 105 4.890 1.351 6.126 1.00 32.21 H new ATOM 1475 N LEU A 106 3.873 -5.084 11.688 1.00 42.33 N ATOM 1476 CA LEU A 106 4.158 -5.800 12.923 1.00 63.52 C ATOM 1477 C LEU A 106 4.983 -7.056 12.665 1.00 63.01 C ATOM 1478 O LEU A 106 5.673 -7.519 13.567 1.00 71.53 O ATOM 1479 CB LEU A 106 2.859 -6.143 13.655 1.00 11.12 C ATOM 1480 CG LEU A 106 2.281 -4.891 14.327 1.00 22.43 C ATOM 1481 CD1 LEU A 106 0.796 -5.097 14.549 1.00 42.23 C ATOM 1482 CD2 LEU A 106 2.934 -4.618 15.683 1.00 54.35 C ATOM 0 H LEU A 106 2.886 -5.098 11.430 1.00 42.33 H new ATOM 0 HA LEU A 106 4.752 -5.144 13.559 1.00 63.52 H new ATOM 0 HB2 LEU A 106 2.135 -6.554 12.952 1.00 11.12 H new ATOM 0 HB3 LEU A 106 3.048 -6.912 14.404 1.00 11.12 H new ATOM 0 HG LEU A 106 2.475 -4.041 13.673 1.00 22.43 H new ATOM 0 HD11 LEU A 106 0.373 -4.213 15.027 1.00 42.23 H new ATOM 0 HD12 LEU A 106 0.304 -5.262 13.590 1.00 42.23 H new ATOM 0 HD13 LEU A 106 0.641 -5.965 15.190 1.00 42.23 H new ATOM 0 HD21 LEU A 106 2.496 -3.723 16.124 1.00 54.35 H new ATOM 0 HD22 LEU A 106 2.767 -5.468 16.345 1.00 54.35 H new ATOM 0 HD23 LEU A 106 4.005 -4.468 15.547 1.00 54.35 H new ATOM 1494 N GLN A 107 4.873 -7.658 11.485 1.00 64.42 N ATOM 1495 CA GLN A 107 5.620 -8.862 11.127 1.00 63.44 C ATOM 1496 C GLN A 107 7.005 -8.543 10.554 1.00 61.40 C ATOM 1497 O GLN A 107 7.835 -9.453 10.460 1.00 75.53 O ATOM 1498 CB GLN A 107 4.783 -9.690 10.150 1.00 25.03 C ATOM 1499 CG GLN A 107 3.620 -10.347 10.893 1.00 13.13 C ATOM 1500 CD GLN A 107 2.611 -10.881 9.899 1.00 31.12 C ATOM 1501 OE1 GLN A 107 2.588 -12.067 9.578 1.00 53.31 O ATOM 1502 NE2 GLN A 107 1.755 -10.010 9.406 1.00 65.25 N ATOM 0 H GLN A 107 4.258 -7.322 10.743 1.00 64.42 H new ATOM 0 HA GLN A 107 5.802 -9.441 12.032 1.00 63.44 H new ATOM 0 HB2 GLN A 107 4.403 -9.053 9.352 1.00 25.03 H new ATOM 0 HB3 GLN A 107 5.404 -10.453 9.681 1.00 25.03 H new ATOM 0 HG2 GLN A 107 3.990 -11.158 11.521 1.00 13.13 H new ATOM 0 HG3 GLN A 107 3.144 -9.623 11.555 1.00 13.13 H new ATOM 0 HE21 GLN A 107 1.800 -9.032 9.693 1.00 65.25 H new ATOM 0 HE22 GLN A 107 1.047 -10.313 8.738 1.00 65.25 H new ATOM 1511 N THR A 108 7.272 -7.287 10.183 1.00 63.22 N ATOM 1512 CA THR A 108 8.564 -6.875 9.646 1.00 42.23 C ATOM 1513 C THR A 108 9.368 -6.138 10.717 1.00 74.14 C ATOM 1514 O THR A 108 10.566 -6.378 10.863 1.00 71.01 O ATOM 1515 CB THR A 108 8.385 -5.976 8.401 1.00 64.14 C ATOM 1516 OG1 THR A 108 7.548 -4.852 8.641 1.00 45.12 O ATOM 1517 CG2 THR A 108 7.796 -6.733 7.213 1.00 55.52 C ATOM 0 H THR A 108 6.593 -6.528 10.249 1.00 63.22 H new ATOM 0 HA THR A 108 9.109 -7.770 9.344 1.00 42.23 H new ATOM 0 HB THR A 108 9.395 -5.639 8.170 1.00 64.14 H new ATOM 0 HG1 THR A 108 7.472 -4.320 7.822 1.00 45.12 H new ATOM 0 HG21 THR A 108 7.691 -6.055 6.366 1.00 55.52 H new ATOM 0 HG22 THR A 108 8.458 -7.555 6.941 1.00 55.52 H new ATOM 0 HG23 THR A 108 6.818 -7.130 7.483 1.00 55.52 H new ATOM 1525 N THR A 109 8.712 -5.223 11.438 1.00 13.01 N ATOM 1526 CA THR A 109 9.316 -4.392 12.470 1.00 24.51 C ATOM 1527 C THR A 109 8.664 -4.414 13.853 1.00 32.40 C ATOM 1528 O THR A 109 9.244 -3.850 14.778 1.00 23.32 O ATOM 1529 CB THR A 109 9.417 -2.965 11.910 1.00 24.51 C ATOM 1530 OG1 THR A 109 8.241 -2.580 11.194 1.00 2.13 O ATOM 1531 CG2 THR A 109 10.570 -2.886 10.917 1.00 11.04 C ATOM 0 H THR A 109 7.717 -5.039 11.311 1.00 13.01 H new ATOM 0 HA THR A 109 10.293 -4.825 12.683 1.00 24.51 H new ATOM 0 HB THR A 109 9.560 -2.305 12.766 1.00 24.51 H new ATOM 0 HG1 THR A 109 7.509 -3.194 11.413 1.00 2.13 H new ATOM 0 HG21 THR A 109 10.640 -1.873 10.521 1.00 11.04 H new ATOM 0 HG22 THR A 109 11.502 -3.144 11.420 1.00 11.04 H new ATOM 0 HG23 THR A 109 10.394 -3.584 10.099 1.00 11.04 H new ATOM 1539 N GLY A 110 7.468 -4.978 14.043 1.00 52.22 N ATOM 1540 CA GLY A 110 6.881 -4.991 15.376 1.00 74.14 C ATOM 1541 C GLY A 110 6.307 -3.644 15.814 1.00 14.32 C ATOM 1542 O GLY A 110 6.114 -3.443 17.013 1.00 22.11 O ATOM 0 H GLY A 110 6.906 -5.417 13.314 1.00 52.22 H new ATOM 0 HA2 GLY A 110 6.089 -5.739 15.406 1.00 74.14 H new ATOM 0 HA3 GLY A 110 7.640 -5.302 16.094 1.00 74.14 H new ATOM 1546 N VAL A 111 6.024 -2.725 14.885 1.00 14.31 N ATOM 1547 CA VAL A 111 5.456 -1.410 15.174 1.00 21.45 C ATOM 1548 C VAL A 111 4.332 -1.105 14.178 1.00 54.43 C ATOM 1549 O VAL A 111 4.233 -1.779 13.153 1.00 21.22 O ATOM 1550 CB VAL A 111 6.571 -0.345 15.127 1.00 63.33 C ATOM 1551 CG1 VAL A 111 7.510 -0.490 16.330 1.00 3.25 C ATOM 1552 CG2 VAL A 111 7.399 -0.372 13.833 1.00 54.23 C ATOM 0 H VAL A 111 6.188 -2.881 13.890 1.00 14.31 H new ATOM 0 HA VAL A 111 5.025 -1.398 16.175 1.00 21.45 H new ATOM 0 HB VAL A 111 6.058 0.616 15.159 1.00 63.33 H new ATOM 0 HG11 VAL A 111 8.289 0.271 16.277 1.00 3.25 H new ATOM 0 HG12 VAL A 111 6.942 -0.365 17.252 1.00 3.25 H new ATOM 0 HG13 VAL A 111 7.967 -1.479 16.317 1.00 3.25 H new ATOM 0 HG21 VAL A 111 8.163 0.405 13.873 1.00 54.23 H new ATOM 0 HG22 VAL A 111 7.877 -1.346 13.727 1.00 54.23 H new ATOM 0 HG23 VAL A 111 6.745 -0.194 12.979 1.00 54.23 H new ATOM 1562 N VAL A 112 3.478 -0.117 14.466 1.00 75.51 N ATOM 1563 CA VAL A 112 2.373 0.313 13.606 1.00 22.32 C ATOM 1564 C VAL A 112 2.518 1.818 13.370 1.00 21.32 C ATOM 1565 O VAL A 112 2.617 2.594 14.324 1.00 62.13 O ATOM 1566 CB VAL A 112 0.999 -0.050 14.208 1.00 23.33 C ATOM 1567 CG1 VAL A 112 -0.140 0.414 13.287 1.00 4.12 C ATOM 1568 CG2 VAL A 112 0.853 -1.558 14.414 1.00 14.22 C ATOM 0 H VAL A 112 3.540 0.421 15.330 1.00 75.51 H new ATOM 0 HA VAL A 112 2.421 -0.214 12.653 1.00 22.32 H new ATOM 0 HB VAL A 112 0.939 0.456 15.171 1.00 23.33 H new ATOM 0 HG11 VAL A 112 -1.099 0.147 13.732 1.00 4.12 H new ATOM 0 HG12 VAL A 112 -0.087 1.495 13.159 1.00 4.12 H new ATOM 0 HG13 VAL A 112 -0.043 -0.071 12.316 1.00 4.12 H new ATOM 0 HG21 VAL A 112 -0.127 -1.774 14.839 1.00 14.22 H new ATOM 0 HG22 VAL A 112 0.953 -2.068 13.456 1.00 14.22 H new ATOM 0 HG23 VAL A 112 1.629 -1.909 15.094 1.00 14.22 H new ATOM 1578 N ASN A 113 2.494 2.234 12.102 1.00 1.34 N ATOM 1579 CA ASN A 113 2.620 3.629 11.690 1.00 44.24 C ATOM 1580 C ASN A 113 1.217 4.170 11.393 1.00 2.30 C ATOM 1581 O ASN A 113 0.844 4.297 10.230 1.00 12.00 O ATOM 1582 CB ASN A 113 3.544 3.718 10.457 1.00 33.13 C ATOM 1583 CG ASN A 113 4.910 3.088 10.660 1.00 20.11 C ATOM 1584 OD1 ASN A 113 5.675 3.526 11.512 1.00 42.12 O ATOM 1585 ND2 ASN A 113 5.253 2.067 9.897 1.00 51.23 N ATOM 0 H ASN A 113 2.384 1.593 11.316 1.00 1.34 H new ATOM 0 HA ASN A 113 3.067 4.234 12.479 1.00 44.24 H new ATOM 0 HB2 ASN A 113 3.054 3.233 9.613 1.00 33.13 H new ATOM 0 HB3 ASN A 113 3.675 4.766 10.190 1.00 33.13 H new ATOM 0 HD21 ASN A 113 6.167 1.629 10.011 1.00 51.23 H new ATOM 0 HD22 ASN A 113 4.604 1.716 9.193 1.00 51.23 H new ATOM 1592 N GLN A 114 0.435 4.523 12.414 1.00 22.41 N ATOM 1593 CA GLN A 114 -0.941 4.999 12.253 1.00 30.14 C ATOM 1594 C GLN A 114 -1.203 6.071 11.176 1.00 24.01 C ATOM 1595 O GLN A 114 -1.968 5.758 10.258 1.00 21.10 O ATOM 1596 CB GLN A 114 -1.536 5.406 13.611 1.00 22.55 C ATOM 1597 CG GLN A 114 -3.030 5.733 13.488 1.00 32.23 C ATOM 1598 CD GLN A 114 -3.657 6.134 14.816 1.00 62.50 C ATOM 1599 OE1 GLN A 114 -4.146 7.254 14.959 1.00 31.44 O ATOM 1600 NE2 GLN A 114 -3.681 5.235 15.786 1.00 33.43 N ATOM 0 H GLN A 114 0.741 4.486 13.386 1.00 22.41 H new ATOM 0 HA GLN A 114 -1.464 4.131 11.850 1.00 30.14 H new ATOM 0 HB2 GLN A 114 -1.396 4.598 14.329 1.00 22.55 H new ATOM 0 HB3 GLN A 114 -1.002 6.273 13.999 1.00 22.55 H new ATOM 0 HG2 GLN A 114 -3.162 6.542 12.770 1.00 32.23 H new ATOM 0 HG3 GLN A 114 -3.556 4.865 13.090 1.00 32.23 H new ATOM 0 HE21 GLN A 114 -3.268 4.314 15.638 1.00 33.43 H new ATOM 0 HE22 GLN A 114 -4.113 5.462 16.682 1.00 33.43 H new ATOM 1609 N PRO A 115 -0.650 7.300 11.246 1.00 2.22 N ATOM 1610 CA PRO A 115 -0.924 8.337 10.252 1.00 4.35 C ATOM 1611 C PRO A 115 -0.393 7.984 8.861 1.00 4.34 C ATOM 1612 O PRO A 115 -1.041 8.257 7.848 1.00 12.13 O ATOM 1613 CB PRO A 115 -0.295 9.615 10.808 1.00 1.43 C ATOM 1614 CG PRO A 115 0.844 9.103 11.682 1.00 1.42 C ATOM 1615 CD PRO A 115 0.269 7.811 12.255 1.00 51.30 C ATOM 0 HA PRO A 115 -1.997 8.455 10.100 1.00 4.35 H new ATOM 0 HB2 PRO A 115 0.071 10.261 10.010 1.00 1.43 H new ATOM 0 HB3 PRO A 115 -1.013 10.197 11.386 1.00 1.43 H new ATOM 0 HG2 PRO A 115 1.749 8.922 11.103 1.00 1.42 H new ATOM 0 HG3 PRO A 115 1.104 9.814 12.466 1.00 1.42 H new ATOM 0 HD2 PRO A 115 1.060 7.090 12.464 1.00 51.30 H new ATOM 0 HD3 PRO A 115 -0.249 7.998 13.196 1.00 51.30 H new ATOM 1623 N PHE A 116 0.766 7.333 8.817 1.00 13.32 N ATOM 1624 CA PHE A 116 1.422 6.918 7.593 1.00 14.41 C ATOM 1625 C PHE A 116 0.556 5.916 6.828 1.00 40.43 C ATOM 1626 O PHE A 116 0.542 5.919 5.601 1.00 70.23 O ATOM 1627 CB PHE A 116 2.760 6.309 7.996 1.00 43.44 C ATOM 1628 CG PHE A 116 3.731 6.051 6.874 1.00 25.12 C ATOM 1629 CD1 PHE A 116 4.095 4.732 6.546 1.00 4.15 C ATOM 1630 CD2 PHE A 116 4.318 7.137 6.201 1.00 1.34 C ATOM 1631 CE1 PHE A 116 5.095 4.514 5.584 1.00 41.24 C ATOM 1632 CE2 PHE A 116 5.304 6.915 5.229 1.00 32.20 C ATOM 1633 CZ PHE A 116 5.707 5.603 4.936 1.00 14.41 C ATOM 0 H PHE A 116 1.284 7.075 9.657 1.00 13.32 H new ATOM 0 HA PHE A 116 1.577 7.764 6.923 1.00 14.41 H new ATOM 0 HB2 PHE A 116 3.237 6.973 8.717 1.00 43.44 H new ATOM 0 HB3 PHE A 116 2.568 5.366 8.508 1.00 43.44 H new ATOM 0 HD1 PHE A 116 3.611 3.896 7.029 1.00 4.15 H new ATOM 0 HD2 PHE A 116 4.009 8.145 6.433 1.00 1.34 H new ATOM 0 HE1 PHE A 116 5.396 3.506 5.340 1.00 41.24 H new ATOM 0 HE2 PHE A 116 5.751 7.749 4.709 1.00 32.20 H new ATOM 0 HZ PHE A 116 6.489 5.429 4.211 1.00 14.41 H new ATOM 1643 N ILE A 117 -0.117 5.016 7.544 1.00 45.23 N ATOM 1644 CA ILE A 117 -1.008 4.011 6.985 1.00 10.34 C ATOM 1645 C ILE A 117 -2.329 4.697 6.583 1.00 43.44 C ATOM 1646 O ILE A 117 -2.820 4.497 5.471 1.00 35.13 O ATOM 1647 CB ILE A 117 -1.178 2.883 8.032 1.00 33.54 C ATOM 1648 CG1 ILE A 117 0.124 2.057 8.170 1.00 61.52 C ATOM 1649 CG2 ILE A 117 -2.329 1.940 7.670 1.00 45.12 C ATOM 1650 CD1 ILE A 117 0.139 1.169 9.424 1.00 61.31 C ATOM 0 H ILE A 117 -0.052 4.968 8.561 1.00 45.23 H new ATOM 0 HA ILE A 117 -0.608 3.551 6.081 1.00 10.34 H new ATOM 0 HB ILE A 117 -1.408 3.368 8.981 1.00 33.54 H new ATOM 0 HG12 ILE A 117 0.246 1.431 7.286 1.00 61.52 H new ATOM 0 HG13 ILE A 117 0.977 2.735 8.201 1.00 61.52 H new ATOM 0 HG21 ILE A 117 -2.415 1.163 8.429 1.00 45.12 H new ATOM 0 HG22 ILE A 117 -3.260 2.504 7.621 1.00 45.12 H new ATOM 0 HG23 ILE A 117 -2.132 1.481 6.701 1.00 45.12 H new ATOM 0 HD11 ILE A 117 1.076 0.614 9.466 1.00 61.31 H new ATOM 0 HD12 ILE A 117 0.046 1.793 10.313 1.00 61.31 H new ATOM 0 HD13 ILE A 117 -0.695 0.469 9.384 1.00 61.31 H new ATOM 1662 N ASN A 118 -2.873 5.525 7.485 1.00 40.53 N ATOM 1663 CA ASN A 118 -4.128 6.271 7.355 1.00 54.32 C ATOM 1664 C ASN A 118 -4.194 7.134 6.096 1.00 34.20 C ATOM 1665 O ASN A 118 -5.205 7.126 5.398 1.00 11.24 O ATOM 1666 CB ASN A 118 -4.305 7.135 8.615 1.00 45.12 C ATOM 1667 CG ASN A 118 -5.478 8.103 8.556 1.00 13.40 C ATOM 1668 OD1 ASN A 118 -6.632 7.705 8.479 1.00 13.35 O ATOM 1669 ND2 ASN A 118 -5.230 9.391 8.716 1.00 42.55 N ATOM 0 H ASN A 118 -2.418 5.701 8.381 1.00 40.53 H new ATOM 0 HA ASN A 118 -4.941 5.552 7.257 1.00 54.32 H new ATOM 0 HB2 ASN A 118 -4.435 6.478 9.475 1.00 45.12 H new ATOM 0 HB3 ASN A 118 -3.390 7.703 8.783 1.00 45.12 H new ATOM 0 HD21 ASN A 118 -6.002 10.055 8.776 1.00 42.55 H new ATOM 0 HD22 ASN A 118 -4.267 9.721 8.780 1.00 42.55 H new ATOM 1676 N GLU A 119 -3.126 7.857 5.762 1.00 73.32 N ATOM 1677 CA GLU A 119 -3.145 8.705 4.573 1.00 61.31 C ATOM 1678 C GLU A 119 -3.266 7.879 3.285 1.00 64.23 C ATOM 1679 O GLU A 119 -3.880 8.315 2.311 1.00 24.33 O ATOM 1680 CB GLU A 119 -1.905 9.606 4.558 1.00 63.44 C ATOM 1681 CG GLU A 119 -0.623 8.880 4.134 1.00 55.35 C ATOM 1682 CD GLU A 119 0.625 9.757 4.279 1.00 32.40 C ATOM 1683 OE1 GLU A 119 0.495 10.996 4.417 1.00 32.34 O ATOM 1684 OE2 GLU A 119 1.755 9.259 4.087 1.00 44.42 O ATOM 0 H GLU A 119 -2.252 7.873 6.288 1.00 73.32 H new ATOM 0 HA GLU A 119 -4.031 9.338 4.615 1.00 61.31 H new ATOM 0 HB2 GLU A 119 -2.081 10.441 3.879 1.00 63.44 H new ATOM 0 HB3 GLU A 119 -1.761 10.028 5.552 1.00 63.44 H new ATOM 0 HG2 GLU A 119 -0.503 7.980 4.737 1.00 55.35 H new ATOM 0 HG3 GLU A 119 -0.718 8.558 3.097 1.00 55.35 H new ATOM 1691 N ILE A 120 -2.669 6.683 3.257 1.00 75.34 N ATOM 1692 CA ILE A 120 -2.723 5.819 2.088 1.00 33.30 C ATOM 1693 C ILE A 120 -4.145 5.297 1.971 1.00 71.43 C ATOM 1694 O ILE A 120 -4.660 5.233 0.859 1.00 73.32 O ATOM 1695 CB ILE A 120 -1.688 4.679 2.174 1.00 63.45 C ATOM 1696 CG1 ILE A 120 -0.261 5.198 2.399 1.00 44.13 C ATOM 1697 CG2 ILE A 120 -1.671 3.788 0.922 1.00 62.12 C ATOM 1698 CD1 ILE A 120 0.369 5.941 1.215 1.00 24.12 C ATOM 0 H ILE A 120 -2.141 6.295 4.039 1.00 75.34 H new ATOM 0 HA ILE A 120 -2.462 6.380 1.191 1.00 33.30 H new ATOM 0 HB ILE A 120 -2.008 4.089 3.033 1.00 63.45 H new ATOM 0 HG12 ILE A 120 -0.268 5.865 3.261 1.00 44.13 H new ATOM 0 HG13 ILE A 120 0.377 4.353 2.655 1.00 44.13 H new ATOM 0 HG21 ILE A 120 -0.923 3.005 1.043 1.00 62.12 H new ATOM 0 HG22 ILE A 120 -2.653 3.334 0.785 1.00 62.12 H new ATOM 0 HG23 ILE A 120 -1.426 4.392 0.049 1.00 62.12 H new ATOM 0 HD11 ILE A 120 1.375 6.264 1.482 1.00 24.12 H new ATOM 0 HD12 ILE A 120 0.418 5.276 0.353 1.00 24.12 H new ATOM 0 HD13 ILE A 120 -0.238 6.812 0.968 1.00 24.12 H new ATOM 1710 N THR A 121 -4.780 4.889 3.075 1.00 52.11 N ATOM 1711 CA THR A 121 -6.153 4.399 2.975 1.00 75.43 C ATOM 1712 C THR A 121 -7.082 5.536 2.544 1.00 25.13 C ATOM 1713 O THR A 121 -7.976 5.294 1.730 1.00 2.20 O ATOM 1714 CB THR A 121 -6.612 3.650 4.229 1.00 31.52 C ATOM 1715 OG1 THR A 121 -6.272 4.313 5.423 1.00 23.35 O ATOM 1716 CG2 THR A 121 -5.955 2.270 4.258 1.00 13.44 C ATOM 0 H THR A 121 -4.381 4.888 4.014 1.00 52.11 H new ATOM 0 HA THR A 121 -6.195 3.640 2.194 1.00 75.43 H new ATOM 0 HB THR A 121 -7.699 3.586 4.175 1.00 31.52 H new ATOM 0 HG1 THR A 121 -6.020 5.239 5.223 1.00 23.35 H new ATOM 0 HG21 THR A 121 -6.278 1.732 5.149 1.00 13.44 H new ATOM 0 HG22 THR A 121 -6.247 1.709 3.370 1.00 13.44 H new ATOM 0 HG23 THR A 121 -4.871 2.383 4.276 1.00 13.44 H new ATOM 1724 N GLN A 122 -6.834 6.770 3.002 1.00 11.33 N ATOM 1725 CA GLN A 122 -7.638 7.924 2.614 1.00 50.52 C ATOM 1726 C GLN A 122 -7.571 8.089 1.094 1.00 54.55 C ATOM 1727 O GLN A 122 -8.615 8.314 0.475 1.00 50.31 O ATOM 1728 CB GLN A 122 -7.192 9.213 3.325 1.00 45.04 C ATOM 1729 CG GLN A 122 -7.784 9.321 4.733 1.00 0.40 C ATOM 1730 CD GLN A 122 -7.504 10.686 5.358 1.00 12.10 C ATOM 1731 OE1 GLN A 122 -6.420 10.956 5.863 1.00 1.03 O ATOM 1732 NE2 GLN A 122 -8.475 11.579 5.370 1.00 13.33 N ATOM 0 H GLN A 122 -6.075 6.990 3.647 1.00 11.33 H new ATOM 0 HA GLN A 122 -8.668 7.744 2.922 1.00 50.52 H new ATOM 0 HB2 GLN A 122 -6.104 9.237 3.386 1.00 45.04 H new ATOM 0 HB3 GLN A 122 -7.497 10.077 2.735 1.00 45.04 H new ATOM 0 HG2 GLN A 122 -8.860 9.154 4.689 1.00 0.40 H new ATOM 0 HG3 GLN A 122 -7.365 8.538 5.365 1.00 0.40 H new ATOM 0 HE21 GLN A 122 -9.378 11.357 4.950 1.00 13.33 H new ATOM 0 HE22 GLN A 122 -8.323 12.492 5.799 1.00 13.33 H new ATOM 1741 N LEU A 123 -6.382 7.939 0.491 1.00 41.12 N ATOM 1742 CA LEU A 123 -6.192 8.054 -0.954 1.00 24.43 C ATOM 1743 C LEU A 123 -7.006 6.998 -1.702 1.00 23.34 C ATOM 1744 O LEU A 123 -7.539 7.325 -2.761 1.00 42.11 O ATOM 1745 CB LEU A 123 -4.713 7.909 -1.351 1.00 44.23 C ATOM 1746 CG LEU A 123 -3.831 9.137 -1.093 1.00 53.20 C ATOM 1747 CD1 LEU A 123 -2.362 8.768 -1.336 1.00 32.34 C ATOM 1748 CD2 LEU A 123 -4.183 10.290 -2.034 1.00 30.11 C ATOM 0 H LEU A 123 -5.522 7.733 1.000 1.00 41.12 H new ATOM 0 HA LEU A 123 -6.537 9.050 -1.232 1.00 24.43 H new ATOM 0 HB2 LEU A 123 -4.292 7.062 -0.809 1.00 44.23 H new ATOM 0 HB3 LEU A 123 -4.663 7.665 -2.412 1.00 44.23 H new ATOM 0 HG LEU A 123 -3.998 9.451 -0.063 1.00 53.20 H new ATOM 0 HD11 LEU A 123 -1.733 9.639 -1.153 1.00 32.34 H new ATOM 0 HD12 LEU A 123 -2.072 7.963 -0.660 1.00 32.34 H new ATOM 0 HD13 LEU A 123 -2.235 8.439 -2.367 1.00 32.34 H new ATOM 0 HD21 LEU A 123 -3.538 11.143 -1.822 1.00 30.11 H new ATOM 0 HD22 LEU A 123 -4.038 9.974 -3.067 1.00 30.11 H new ATOM 0 HD23 LEU A 123 -5.224 10.577 -1.885 1.00 30.11 H new ATOM 1760 N VAL A 124 -7.103 5.760 -1.192 1.00 11.20 N ATOM 1761 CA VAL A 124 -7.876 4.700 -1.848 1.00 51.41 C ATOM 1762 C VAL A 124 -9.341 5.138 -1.906 1.00 44.34 C ATOM 1763 O VAL A 124 -9.956 5.120 -2.976 1.00 11.22 O ATOM 1764 CB VAL A 124 -7.760 3.347 -1.107 1.00 61.45 C ATOM 1765 CG1 VAL A 124 -8.479 2.231 -1.871 1.00 34.32 C ATOM 1766 CG2 VAL A 124 -6.318 2.872 -0.922 1.00 34.23 C ATOM 0 H VAL A 124 -6.653 5.470 -0.324 1.00 11.20 H new ATOM 0 HA VAL A 124 -7.475 4.548 -2.850 1.00 51.41 H new ATOM 0 HB VAL A 124 -8.213 3.534 -0.133 1.00 61.45 H new ATOM 0 HG11 VAL A 124 -8.379 1.293 -1.325 1.00 34.32 H new ATOM 0 HG12 VAL A 124 -9.535 2.481 -1.972 1.00 34.32 H new ATOM 0 HG13 VAL A 124 -8.035 2.123 -2.861 1.00 34.32 H new ATOM 0 HG21 VAL A 124 -6.314 1.918 -0.395 1.00 34.23 H new ATOM 0 HG22 VAL A 124 -5.847 2.750 -1.897 1.00 34.23 H new ATOM 0 HG23 VAL A 124 -5.764 3.609 -0.341 1.00 34.23 H new ATOM 1776 N SER A 125 -9.895 5.546 -0.759 1.00 43.23 N ATOM 1777 CA SER A 125 -11.276 5.982 -0.669 1.00 31.03 C ATOM 1778 C SER A 125 -11.513 7.133 -1.639 1.00 13.33 C ATOM 1779 O SER A 125 -12.432 7.064 -2.452 1.00 34.33 O ATOM 1780 CB SER A 125 -11.600 6.422 0.763 1.00 42.11 C ATOM 1781 OG SER A 125 -11.193 5.473 1.730 1.00 12.04 O ATOM 0 H SER A 125 -9.392 5.580 0.127 1.00 43.23 H new ATOM 0 HA SER A 125 -11.931 5.151 -0.933 1.00 31.03 H new ATOM 0 HB2 SER A 125 -11.110 7.374 0.966 1.00 42.11 H new ATOM 0 HB3 SER A 125 -12.673 6.590 0.853 1.00 42.11 H new ATOM 0 HG SER A 125 -11.420 5.800 2.625 1.00 12.04 H new ATOM 1787 N MET A 126 -10.664 8.164 -1.563 1.00 71.22 N ATOM 1788 CA MET A 126 -10.713 9.366 -2.374 1.00 52.41 C ATOM 1789 C MET A 126 -10.668 9.058 -3.866 1.00 34.14 C ATOM 1790 O MET A 126 -11.404 9.685 -4.631 1.00 62.24 O ATOM 1791 CB MET A 126 -9.565 10.285 -1.949 1.00 34.21 C ATOM 1792 CG MET A 126 -9.682 11.671 -2.585 1.00 53.01 C ATOM 1793 SD MET A 126 -8.941 11.865 -4.222 1.00 1.24 S ATOM 1794 CE MET A 126 -7.208 11.939 -3.711 1.00 70.32 C ATOM 0 H MET A 126 -9.890 8.174 -0.899 1.00 71.22 H new ATOM 0 HA MET A 126 -11.665 9.870 -2.207 1.00 52.41 H new ATOM 0 HB2 MET A 126 -9.560 10.382 -0.863 1.00 34.21 H new ATOM 0 HB3 MET A 126 -8.614 9.834 -2.233 1.00 34.21 H new ATOM 0 HG2 MET A 126 -10.739 11.927 -2.655 1.00 53.01 H new ATOM 0 HG3 MET A 126 -9.222 12.396 -1.913 1.00 53.01 H new ATOM 0 HE1 MET A 126 -6.792 12.912 -3.974 1.00 70.32 H new ATOM 0 HE2 MET A 126 -7.140 11.795 -2.633 1.00 70.32 H new ATOM 0 HE3 MET A 126 -6.645 11.155 -4.218 1.00 70.32 H new ATOM 1804 N PHE A 127 -9.820 8.114 -4.282 1.00 42.03 N ATOM 1805 CA PHE A 127 -9.697 7.748 -5.682 1.00 33.34 C ATOM 1806 C PHE A 127 -11.010 7.142 -6.164 1.00 45.20 C ATOM 1807 O PHE A 127 -11.548 7.606 -7.167 1.00 23.32 O ATOM 1808 CB PHE A 127 -8.513 6.807 -5.922 1.00 63.21 C ATOM 1809 CG PHE A 127 -8.181 6.632 -7.393 1.00 65.25 C ATOM 1810 CD1 PHE A 127 -7.103 7.337 -7.961 1.00 45.11 C ATOM 1811 CD2 PHE A 127 -8.972 5.807 -8.214 1.00 35.53 C ATOM 1812 CE1 PHE A 127 -6.828 7.229 -9.336 1.00 34.41 C ATOM 1813 CE2 PHE A 127 -8.702 5.703 -9.587 1.00 2.31 C ATOM 1814 CZ PHE A 127 -7.626 6.410 -10.151 1.00 75.31 C ATOM 0 H PHE A 127 -9.207 7.590 -3.658 1.00 42.03 H new ATOM 0 HA PHE A 127 -9.492 8.647 -6.263 1.00 33.34 H new ATOM 0 HB2 PHE A 127 -7.637 7.194 -5.401 1.00 63.21 H new ATOM 0 HB3 PHE A 127 -8.737 5.833 -5.488 1.00 63.21 H new ATOM 0 HD1 PHE A 127 -6.484 7.964 -7.337 1.00 45.11 H new ATOM 0 HD2 PHE A 127 -9.792 5.250 -7.785 1.00 35.53 H new ATOM 0 HE1 PHE A 127 -6.002 7.777 -9.766 1.00 34.41 H new ATOM 0 HE2 PHE A 127 -9.323 5.078 -10.212 1.00 2.31 H new ATOM 0 HZ PHE A 127 -7.414 6.324 -11.206 1.00 75.31 H new ATOM 1824 N ALA A 128 -11.536 6.147 -5.445 1.00 41.44 N ATOM 1825 CA ALA A 128 -12.772 5.483 -5.825 1.00 5.11 C ATOM 1826 C ALA A 128 -13.981 6.421 -5.817 1.00 14.04 C ATOM 1827 O ALA A 128 -14.702 6.484 -6.810 1.00 62.25 O ATOM 1828 CB ALA A 128 -13.010 4.275 -4.926 1.00 12.13 C ATOM 0 H ALA A 128 -11.115 5.785 -4.589 1.00 41.44 H new ATOM 0 HA ALA A 128 -12.657 5.149 -6.856 1.00 5.11 H new ATOM 0 HB1 ALA A 128 -13.938 3.782 -5.217 1.00 12.13 H new ATOM 0 HB2 ALA A 128 -12.180 3.576 -5.029 1.00 12.13 H new ATOM 0 HB3 ALA A 128 -13.082 4.602 -3.889 1.00 12.13 H new ATOM 1834 N GLN A 129 -14.226 7.147 -4.719 1.00 10.02 N ATOM 1835 CA GLN A 129 -15.373 8.058 -4.639 1.00 30.12 C ATOM 1836 C GLN A 129 -15.265 9.238 -5.609 1.00 51.51 C ATOM 1837 O GLN A 129 -16.273 9.838 -5.989 1.00 62.53 O ATOM 1838 CB GLN A 129 -15.569 8.559 -3.206 1.00 30.14 C ATOM 1839 CG GLN A 129 -14.535 9.579 -2.712 1.00 71.30 C ATOM 1840 CD GLN A 129 -14.894 10.117 -1.332 1.00 43.40 C ATOM 1841 OE1 GLN A 129 -14.602 9.524 -0.291 1.00 41.33 O ATOM 1842 NE2 GLN A 129 -15.566 11.251 -1.318 1.00 41.50 N ATOM 0 H GLN A 129 -13.649 7.121 -3.879 1.00 10.02 H new ATOM 0 HA GLN A 129 -16.248 7.482 -4.939 1.00 30.12 H new ATOM 0 HB2 GLN A 129 -16.560 9.007 -3.129 1.00 30.14 H new ATOM 0 HB3 GLN A 129 -15.555 7.700 -2.535 1.00 30.14 H new ATOM 0 HG2 GLN A 129 -13.551 9.112 -2.677 1.00 71.30 H new ATOM 0 HG3 GLN A 129 -14.471 10.405 -3.420 1.00 71.30 H new ATOM 0 HE21 GLN A 129 -15.794 11.720 -2.195 1.00 41.50 H new ATOM 0 HE22 GLN A 129 -15.858 11.660 -0.430 1.00 41.50 H new