USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 879 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 GLN : amide:sc= 0 K(o=-0.52,f=-4.5!) USER MOD Set 1.2: A 71 MET CE :methyl -175:sc= -0.518 (180deg=-0.663) USER MOD Set 2.1: A 28 SER OG : rot -48:sc= 0.255 USER MOD Set 2.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 21 ASN : amide:sc= 0.425 X(o=0.85,f=0.66) USER MOD Set 3.2: A 25 GLN : amide:sc= 0.424 X(o=0.85,f=0.66) USER MOD Set 4.1: A 8 THR OG1 : rot -41:sc= 0.903 USER MOD Set 4.2: A 11 THR OG1 : rot -86:sc= 0.623 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 18 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.5!) USER MOD Single : A 22 SER OG : rot -87:sc= 1.22 USER MOD Single : A 30 MET CE :methyl -162:sc= -0.63 (180deg=-1.25) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.5) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 63:sc= 0.344 USER MOD Single : A 50 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.48) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.286 K(o=-0.29,f=-2.5) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0848 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0503 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 177:sc=-0.00507 (180deg=-0.0169) USER MOD Single : A 70 ASN : amide:sc= 1.01 K(o=1,f=-0.41) USER MOD Single : A 75 SER OG : rot 69:sc= 2.08 USER MOD Single : A 76 SER OG : rot 78:sc= 0.0148 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= 0.0925 USER MOD Single : A 92 THR OG1 : rot -150:sc= 0.225 USER MOD Single : A 93 LYS NZ :NH3+ -114:sc= 1.35 (180deg=-0.0371) USER MOD Single : A 94 THR OG1 : rot -12:sc= 0.549 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -34:sc= 1.28 USER MOD Single : A 99 SER OG : rot 72:sc= 0.862 USER MOD Single : A 102 SER OG : rot 9:sc= 0.154 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 108 THR OG1 : rot -83:sc= 0.179 USER MOD Single : A 109 THR OG1 : rot 0:sc= 0.701 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 118 ASN : amide:sc= 0.175 X(o=0.17,f=0) USER MOD Single : A 121 THR OG1 : rot 42:sc= 1.3 USER MOD Single : A 122 GLN : amide:sc= -0.0025 X(o=-0.0025,f=-0.0025) USER MOD Single : A 125 SER OG : rot 180:sc= -0.197 USER MOD Single : A 126 MET CE :methyl 178:sc= 0 (180deg=-0.00558) USER MOD Single : A 129 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 13.144 3.443 4.186 1.00 1.52 N ATOM 83 CA THR A 8 11.770 2.984 4.219 1.00 25.40 C ATOM 84 C THR A 8 11.647 1.667 3.451 1.00 2.34 C ATOM 85 O THR A 8 12.516 1.340 2.635 1.00 50.04 O ATOM 86 CB THR A 8 10.849 4.041 3.578 1.00 32.30 C ATOM 87 OG1 THR A 8 11.523 4.925 2.712 1.00 72.24 O ATOM 88 CG2 THR A 8 10.171 4.894 4.636 1.00 22.51 C ATOM 0 HA THR A 8 11.472 2.828 5.256 1.00 25.40 H new ATOM 0 HB THR A 8 10.125 3.462 3.005 1.00 32.30 H new ATOM 0 HG1 THR A 8 12.386 5.173 3.105 1.00 72.24 H new ATOM 0 HG21 THR A 8 9.528 5.630 4.153 1.00 22.51 H new ATOM 0 HG22 THR A 8 9.570 4.258 5.286 1.00 22.51 H new ATOM 0 HG23 THR A 8 10.928 5.407 5.230 1.00 22.51 H new ATOM 96 N PRO A 9 10.544 0.924 3.652 1.00 20.20 N ATOM 97 CA PRO A 9 10.334 -0.324 2.939 1.00 63.35 C ATOM 98 C PRO A 9 10.096 -0.031 1.450 1.00 62.23 C ATOM 99 O PRO A 9 10.245 -0.921 0.624 1.00 43.42 O ATOM 100 CB PRO A 9 9.131 -0.985 3.616 1.00 15.23 C ATOM 101 CG PRO A 9 8.345 0.194 4.184 1.00 13.43 C ATOM 102 CD PRO A 9 9.440 1.184 4.567 1.00 73.03 C ATOM 0 HA PRO A 9 11.195 -0.992 2.978 1.00 63.35 H new ATOM 0 HB2 PRO A 9 8.536 -1.558 2.905 1.00 15.23 H new ATOM 0 HB3 PRO A 9 9.442 -1.675 4.401 1.00 15.23 H new ATOM 0 HG2 PRO A 9 7.660 0.615 3.448 1.00 13.43 H new ATOM 0 HG3 PRO A 9 7.746 -0.098 5.046 1.00 13.43 H new ATOM 0 HD2 PRO A 9 9.089 2.212 4.475 1.00 73.03 H new ATOM 0 HD3 PRO A 9 9.749 1.045 5.603 1.00 73.03 H new ATOM 110 N TRP A 10 9.743 1.214 1.104 1.00 2.04 N ATOM 111 CA TRP A 10 9.497 1.658 -0.254 1.00 42.23 C ATOM 112 C TRP A 10 10.787 2.068 -0.957 1.00 33.20 C ATOM 113 O TRP A 10 10.816 2.020 -2.184 1.00 64.33 O ATOM 114 CB TRP A 10 8.515 2.831 -0.237 1.00 60.13 C ATOM 115 CG TRP A 10 7.155 2.450 0.250 1.00 25.34 C ATOM 116 CD1 TRP A 10 6.707 2.504 1.526 1.00 75.42 C ATOM 117 CD2 TRP A 10 6.090 1.840 -0.530 1.00 54.22 C ATOM 118 NE1 TRP A 10 5.453 1.924 1.589 1.00 3.44 N ATOM 119 CE2 TRP A 10 5.025 1.497 0.351 1.00 41.13 C ATOM 120 CE3 TRP A 10 5.937 1.518 -1.895 1.00 25.14 C ATOM 121 CZ2 TRP A 10 3.872 0.839 -0.098 1.00 3.22 C ATOM 122 CZ3 TRP A 10 4.784 0.859 -2.356 1.00 5.24 C ATOM 123 CH2 TRP A 10 3.762 0.509 -1.458 1.00 24.14 C ATOM 0 H TRP A 10 9.620 1.956 1.792 1.00 2.04 H new ATOM 0 HA TRP A 10 9.070 0.824 -0.811 1.00 42.23 H new ATOM 0 HB2 TRP A 10 8.914 3.622 0.399 1.00 60.13 H new ATOM 0 HB3 TRP A 10 8.432 3.242 -1.243 1.00 60.13 H new ATOM 0 HD1 TRP A 10 7.243 2.931 2.361 1.00 75.42 H new ATOM 0 HE1 TRP A 10 4.911 1.825 2.447 1.00 3.44 H new ATOM 0 HE3 TRP A 10 6.716 1.781 -2.595 1.00 25.14 H new ATOM 0 HZ2 TRP A 10 3.080 0.589 0.592 1.00 3.22 H new ATOM 0 HZ3 TRP A 10 4.684 0.621 -3.405 1.00 5.24 H new ATOM 0 HH2 TRP A 10 2.888 -0.016 -1.815 1.00 24.14 H new ATOM 134 N THR A 11 11.849 2.471 -0.245 1.00 62.33 N ATOM 135 CA THR A 11 13.083 2.852 -0.940 1.00 15.31 C ATOM 136 C THR A 11 13.996 1.657 -1.218 1.00 71.42 C ATOM 137 O THR A 11 14.778 1.708 -2.174 1.00 3.02 O ATOM 138 CB THR A 11 13.778 4.009 -0.215 1.00 52.23 C ATOM 139 OG1 THR A 11 13.784 3.866 1.189 1.00 70.40 O ATOM 140 CG2 THR A 11 12.974 5.275 -0.514 1.00 1.04 C ATOM 0 H THR A 11 11.880 2.540 0.772 1.00 62.33 H new ATOM 0 HA THR A 11 12.813 3.222 -1.929 1.00 15.31 H new ATOM 0 HB THR A 11 14.811 4.039 -0.561 1.00 52.23 H new ATOM 0 HG1 THR A 11 12.949 4.223 1.558 1.00 70.40 H new ATOM 0 HG21 THR A 11 13.437 6.126 -0.015 1.00 1.04 H new ATOM 0 HG22 THR A 11 12.958 5.450 -1.590 1.00 1.04 H new ATOM 0 HG23 THR A 11 11.954 5.152 -0.151 1.00 1.04 H new ATOM 148 N ASN A 12 13.910 0.582 -0.431 1.00 21.12 N ATOM 149 CA ASN A 12 14.739 -0.613 -0.648 1.00 72.13 C ATOM 150 C ASN A 12 13.873 -1.726 -1.240 1.00 73.44 C ATOM 151 O ASN A 12 12.907 -2.140 -0.602 1.00 61.11 O ATOM 152 CB ASN A 12 15.478 -1.117 0.592 1.00 63.03 C ATOM 153 CG ASN A 12 16.723 -0.288 0.880 1.00 44.40 C ATOM 154 OD1 ASN A 12 16.675 0.937 0.930 1.00 3.22 O ATOM 155 ND2 ASN A 12 17.873 -0.912 1.046 1.00 60.34 N ATOM 0 H ASN A 12 13.275 0.512 0.364 1.00 21.12 H new ATOM 0 HA ASN A 12 15.525 -0.316 -1.342 1.00 72.13 H new ATOM 0 HB2 ASN A 12 14.810 -1.083 1.453 1.00 63.03 H new ATOM 0 HB3 ASN A 12 15.760 -2.160 0.449 1.00 63.03 H new ATOM 0 HD21 ASN A 12 18.724 -0.376 1.216 1.00 60.34 H new ATOM 0 HD22 ASN A 12 17.911 -1.930 1.004 1.00 60.34 H new ATOM 162 N PRO A 13 14.218 -2.265 -2.422 1.00 45.40 N ATOM 163 CA PRO A 13 13.440 -3.309 -3.080 1.00 13.05 C ATOM 164 C PRO A 13 13.433 -4.638 -2.330 1.00 44.40 C ATOM 165 O PRO A 13 12.425 -5.333 -2.385 1.00 14.13 O ATOM 166 CB PRO A 13 14.035 -3.456 -4.481 1.00 25.13 C ATOM 167 CG PRO A 13 15.469 -2.971 -4.295 1.00 32.04 C ATOM 168 CD PRO A 13 15.341 -1.871 -3.255 1.00 33.43 C ATOM 0 HA PRO A 13 12.389 -3.021 -3.110 1.00 13.05 H new ATOM 0 HB2 PRO A 13 14.000 -4.488 -4.829 1.00 25.13 H new ATOM 0 HB3 PRO A 13 13.497 -2.854 -5.214 1.00 25.13 H new ATOM 0 HG2 PRO A 13 16.122 -3.773 -3.952 1.00 32.04 H new ATOM 0 HG3 PRO A 13 15.889 -2.594 -5.228 1.00 32.04 H new ATOM 0 HD2 PRO A 13 16.254 -1.777 -2.667 1.00 33.43 H new ATOM 0 HD3 PRO A 13 15.163 -0.904 -3.725 1.00 33.43 H new ATOM 176 N GLY A 14 14.513 -4.994 -1.625 1.00 2.32 N ATOM 177 CA GLY A 14 14.562 -6.249 -0.884 1.00 72.32 C ATOM 178 C GLY A 14 13.470 -6.280 0.179 1.00 73.12 C ATOM 179 O GLY A 14 12.809 -7.307 0.354 1.00 4.22 O ATOM 0 H GLY A 14 15.360 -4.429 -1.555 1.00 2.32 H new ATOM 0 HA2 GLY A 14 14.436 -7.088 -1.568 1.00 72.32 H new ATOM 0 HA3 GLY A 14 15.539 -6.364 -0.415 1.00 72.32 H new ATOM 183 N LEU A 15 13.283 -5.162 0.890 1.00 45.22 N ATOM 184 CA LEU A 15 12.257 -5.061 1.912 1.00 65.43 C ATOM 185 C LEU A 15 10.906 -5.045 1.208 1.00 74.05 C ATOM 186 O LEU A 15 10.045 -5.831 1.579 1.00 52.15 O ATOM 187 CB LEU A 15 12.444 -3.795 2.775 1.00 74.35 C ATOM 188 CG LEU A 15 11.878 -3.885 4.210 1.00 44.20 C ATOM 189 CD1 LEU A 15 10.417 -4.331 4.296 1.00 73.44 C ATOM 190 CD2 LEU A 15 12.732 -4.806 5.086 1.00 34.43 C ATOM 0 H LEU A 15 13.837 -4.314 0.769 1.00 45.22 H new ATOM 0 HA LEU A 15 12.323 -5.912 2.590 1.00 65.43 H new ATOM 0 HB2 LEU A 15 13.509 -3.570 2.835 1.00 74.35 H new ATOM 0 HB3 LEU A 15 11.970 -2.955 2.267 1.00 74.35 H new ATOM 0 HG LEU A 15 11.916 -2.860 4.579 1.00 44.20 H new ATOM 0 HD11 LEU A 15 10.108 -4.365 5.341 1.00 73.44 H new ATOM 0 HD12 LEU A 15 9.788 -3.624 3.754 1.00 73.44 H new ATOM 0 HD13 LEU A 15 10.313 -5.322 3.854 1.00 73.44 H new ATOM 0 HD21 LEU A 15 12.309 -4.849 6.090 1.00 34.43 H new ATOM 0 HD22 LEU A 15 12.747 -5.807 4.655 1.00 34.43 H new ATOM 0 HD23 LEU A 15 13.749 -4.418 5.138 1.00 34.43 H new ATOM 202 N ALA A 16 10.734 -4.208 0.175 1.00 64.20 N ATOM 203 CA ALA A 16 9.490 -4.087 -0.569 1.00 11.51 C ATOM 204 C ALA A 16 8.958 -5.433 -1.040 1.00 73.14 C ATOM 205 O ALA A 16 7.793 -5.735 -0.809 1.00 62.32 O ATOM 206 CB ALA A 16 9.673 -3.167 -1.775 1.00 54.21 C ATOM 0 H ALA A 16 11.471 -3.591 -0.165 1.00 64.20 H new ATOM 0 HA ALA A 16 8.759 -3.660 0.117 1.00 11.51 H new ATOM 0 HB1 ALA A 16 8.732 -3.089 -2.319 1.00 54.21 H new ATOM 0 HB2 ALA A 16 9.979 -2.178 -1.435 1.00 54.21 H new ATOM 0 HB3 ALA A 16 10.439 -3.577 -2.433 1.00 54.21 H new ATOM 212 N GLU A 17 9.794 -6.245 -1.682 1.00 11.05 N ATOM 213 CA GLU A 17 9.411 -7.550 -2.193 1.00 42.11 C ATOM 214 C GLU A 17 8.820 -8.418 -1.069 1.00 31.01 C ATOM 215 O GLU A 17 7.748 -9.006 -1.237 1.00 15.33 O ATOM 216 CB GLU A 17 10.645 -8.193 -2.850 1.00 35.44 C ATOM 217 CG GLU A 17 10.300 -9.451 -3.657 1.00 62.33 C ATOM 218 CD GLU A 17 10.276 -9.210 -5.170 1.00 62.24 C ATOM 219 OE1 GLU A 17 9.262 -8.714 -5.710 1.00 61.24 O ATOM 220 OE2 GLU A 17 11.282 -9.558 -5.843 1.00 34.24 O ATOM 0 H GLU A 17 10.769 -6.008 -1.862 1.00 11.05 H new ATOM 0 HA GLU A 17 8.629 -7.454 -2.946 1.00 42.11 H new ATOM 0 HB2 GLU A 17 11.122 -7.465 -3.506 1.00 35.44 H new ATOM 0 HB3 GLU A 17 11.370 -8.450 -2.078 1.00 35.44 H new ATOM 0 HG2 GLU A 17 11.028 -10.230 -3.431 1.00 62.33 H new ATOM 0 HG3 GLU A 17 9.326 -9.823 -3.339 1.00 62.33 H new ATOM 227 N ASN A 18 9.491 -8.483 0.087 1.00 43.32 N ATOM 228 CA ASN A 18 9.029 -9.286 1.219 1.00 32.32 C ATOM 229 C ASN A 18 7.825 -8.659 1.924 1.00 74.41 C ATOM 230 O ASN A 18 6.951 -9.369 2.417 1.00 62.13 O ATOM 231 CB ASN A 18 10.165 -9.487 2.229 1.00 1.04 C ATOM 232 CG ASN A 18 9.860 -10.594 3.236 1.00 65.43 C ATOM 233 OD1 ASN A 18 10.045 -10.423 4.435 1.00 74.04 O ATOM 234 ND2 ASN A 18 9.429 -11.761 2.803 1.00 31.41 N ATOM 0 H ASN A 18 10.363 -7.983 0.261 1.00 43.32 H new ATOM 0 HA ASN A 18 8.715 -10.249 0.817 1.00 32.32 H new ATOM 0 HB2 ASN A 18 11.084 -9.729 1.695 1.00 1.04 H new ATOM 0 HB3 ASN A 18 10.343 -8.553 2.762 1.00 1.04 H new ATOM 0 HD21 ASN A 18 9.251 -12.516 3.465 1.00 31.41 H new ATOM 0 HD22 ASN A 18 9.273 -11.909 1.806 1.00 31.41 H new ATOM 241 N PHE A 19 7.761 -7.331 1.992 1.00 1.14 N ATOM 242 CA PHE A 19 6.686 -6.571 2.614 1.00 32.24 C ATOM 243 C PHE A 19 5.399 -6.787 1.828 1.00 41.10 C ATOM 244 O PHE A 19 4.375 -7.141 2.406 1.00 14.43 O ATOM 245 CB PHE A 19 7.070 -5.086 2.690 1.00 4.54 C ATOM 246 CG PHE A 19 5.907 -4.133 2.889 1.00 5.11 C ATOM 247 CD1 PHE A 19 5.782 -2.997 2.066 1.00 32.43 C ATOM 248 CD2 PHE A 19 4.920 -4.406 3.853 1.00 33.41 C ATOM 249 CE1 PHE A 19 4.665 -2.155 2.188 1.00 62.21 C ATOM 250 CE2 PHE A 19 3.799 -3.572 3.965 1.00 22.41 C ATOM 251 CZ PHE A 19 3.670 -2.444 3.135 1.00 3.31 C ATOM 0 H PHE A 19 8.488 -6.733 1.598 1.00 1.14 H new ATOM 0 HA PHE A 19 6.522 -6.917 3.634 1.00 32.24 H new ATOM 0 HB2 PHE A 19 7.776 -4.950 3.509 1.00 4.54 H new ATOM 0 HB3 PHE A 19 7.591 -4.813 1.772 1.00 4.54 H new ATOM 0 HD1 PHE A 19 6.548 -2.773 1.338 1.00 32.43 H new ATOM 0 HD2 PHE A 19 5.026 -5.259 4.507 1.00 33.41 H new ATOM 0 HE1 PHE A 19 4.571 -1.286 1.554 1.00 62.21 H new ATOM 0 HE2 PHE A 19 3.032 -3.796 4.691 1.00 22.41 H new ATOM 0 HZ PHE A 19 2.807 -1.801 3.226 1.00 3.31 H new ATOM 261 N LEU A 20 5.441 -6.579 0.514 1.00 60.21 N ATOM 262 CA LEU A 20 4.282 -6.759 -0.344 1.00 1.50 C ATOM 263 C LEU A 20 3.843 -8.222 -0.255 1.00 41.32 C ATOM 264 O LEU A 20 2.653 -8.485 -0.109 1.00 34.21 O ATOM 265 CB LEU A 20 4.601 -6.291 -1.777 1.00 13.23 C ATOM 266 CG LEU A 20 4.376 -4.775 -2.002 1.00 52.02 C ATOM 267 CD1 LEU A 20 5.128 -3.821 -1.075 1.00 11.21 C ATOM 268 CD2 LEU A 20 4.730 -4.380 -3.432 1.00 4.33 C ATOM 0 H LEU A 20 6.281 -6.281 0.018 1.00 60.21 H new ATOM 0 HA LEU A 20 3.445 -6.143 -0.016 1.00 1.50 H new ATOM 0 HB2 LEU A 20 5.639 -6.533 -2.006 1.00 13.23 H new ATOM 0 HB3 LEU A 20 3.981 -6.849 -2.478 1.00 13.23 H new ATOM 0 HG LEU A 20 3.316 -4.659 -1.776 1.00 52.02 H new ATOM 0 HD11 LEU A 20 4.884 -2.791 -1.337 1.00 11.21 H new ATOM 0 HD12 LEU A 20 4.836 -4.012 -0.042 1.00 11.21 H new ATOM 0 HD13 LEU A 20 6.201 -3.978 -1.184 1.00 11.21 H new ATOM 0 HD21 LEU A 20 4.564 -3.311 -3.566 1.00 4.33 H new ATOM 0 HD22 LEU A 20 5.778 -4.611 -3.625 1.00 4.33 H new ATOM 0 HD23 LEU A 20 4.102 -4.935 -4.129 1.00 4.33 H new ATOM 280 N ASN A 21 4.787 -9.170 -0.272 1.00 62.43 N ATOM 281 CA ASN A 21 4.470 -10.594 -0.180 1.00 44.12 C ATOM 282 C ASN A 21 3.778 -10.940 1.143 1.00 74.54 C ATOM 283 O ASN A 21 2.716 -11.558 1.129 1.00 44.03 O ATOM 284 CB ASN A 21 5.743 -11.429 -0.333 1.00 5.22 C ATOM 285 CG ASN A 21 5.475 -12.890 -0.032 1.00 53.31 C ATOM 286 OD1 ASN A 21 5.957 -13.417 0.960 1.00 0.20 O ATOM 287 ND2 ASN A 21 4.723 -13.583 -0.862 1.00 21.33 N ATOM 0 H ASN A 21 5.784 -8.971 -0.349 1.00 62.43 H new ATOM 0 HA ASN A 21 3.779 -10.828 -0.990 1.00 44.12 H new ATOM 0 HB2 ASN A 21 6.128 -11.328 -1.348 1.00 5.22 H new ATOM 0 HB3 ASN A 21 6.513 -11.051 0.340 1.00 5.22 H new ATOM 0 HD21 ASN A 21 4.538 -14.569 -0.680 1.00 21.33 H new ATOM 0 HD22 ASN A 21 4.326 -13.133 -1.687 1.00 21.33 H new ATOM 294 N SER A 22 4.354 -10.548 2.279 1.00 12.42 N ATOM 295 CA SER A 22 3.792 -10.820 3.601 1.00 42.12 C ATOM 296 C SER A 22 2.406 -10.183 3.735 1.00 71.22 C ATOM 297 O SER A 22 1.472 -10.819 4.216 1.00 34.25 O ATOM 298 CB SER A 22 4.763 -10.355 4.693 1.00 20.21 C ATOM 299 OG SER A 22 5.238 -9.047 4.467 1.00 31.03 O ATOM 0 H SER A 22 5.231 -10.028 2.308 1.00 12.42 H new ATOM 0 HA SER A 22 3.659 -11.895 3.725 1.00 42.12 H new ATOM 0 HB2 SER A 22 4.263 -10.395 5.661 1.00 20.21 H new ATOM 0 HB3 SER A 22 5.608 -11.042 4.741 1.00 20.21 H new ATOM 0 HG SER A 22 6.031 -9.082 3.893 1.00 31.03 H new ATOM 305 N PHE A 23 2.245 -8.943 3.268 1.00 52.35 N ATOM 306 CA PHE A 23 0.981 -8.221 3.307 1.00 21.52 C ATOM 307 C PHE A 23 -0.081 -8.979 2.507 1.00 5.40 C ATOM 308 O PHE A 23 -1.222 -9.074 2.953 1.00 31.25 O ATOM 309 CB PHE A 23 1.218 -6.797 2.800 1.00 41.14 C ATOM 310 CG PHE A 23 -0.028 -5.962 2.609 1.00 13.00 C ATOM 311 CD1 PHE A 23 -0.368 -5.522 1.320 1.00 73.34 C ATOM 312 CD2 PHE A 23 -0.838 -5.608 3.704 1.00 61.43 C ATOM 313 CE1 PHE A 23 -1.472 -4.678 1.129 1.00 53.43 C ATOM 314 CE2 PHE A 23 -1.982 -4.817 3.497 1.00 2.43 C ATOM 315 CZ PHE A 23 -2.293 -4.340 2.213 1.00 5.13 C ATOM 0 H PHE A 23 3.004 -8.408 2.846 1.00 52.35 H new ATOM 0 HA PHE A 23 0.600 -8.151 4.326 1.00 21.52 H new ATOM 0 HB2 PHE A 23 1.875 -6.284 3.502 1.00 41.14 H new ATOM 0 HB3 PHE A 23 1.748 -6.851 1.849 1.00 41.14 H new ATOM 0 HD1 PHE A 23 0.223 -5.835 0.472 1.00 73.34 H new ATOM 0 HD2 PHE A 23 -0.582 -5.942 4.699 1.00 61.43 H new ATOM 0 HE1 PHE A 23 -1.689 -4.288 0.145 1.00 53.43 H new ATOM 0 HE2 PHE A 23 -2.625 -4.575 4.330 1.00 2.43 H new ATOM 0 HZ PHE A 23 -3.161 -3.715 2.062 1.00 5.13 H new ATOM 325 N LEU A 24 0.276 -9.512 1.335 1.00 42.41 N ATOM 326 CA LEU A 24 -0.638 -10.283 0.491 1.00 72.20 C ATOM 327 C LEU A 24 -1.030 -11.555 1.241 1.00 32.01 C ATOM 328 O LEU A 24 -2.218 -11.815 1.409 1.00 10.24 O ATOM 329 CB LEU A 24 0.027 -10.657 -0.850 1.00 35.04 C ATOM 330 CG LEU A 24 0.129 -9.496 -1.853 1.00 11.43 C ATOM 331 CD1 LEU A 24 1.196 -9.789 -2.912 1.00 2.40 C ATOM 332 CD2 LEU A 24 -1.203 -9.260 -2.563 1.00 63.54 C ATOM 0 H LEU A 24 1.213 -9.419 0.944 1.00 42.41 H new ATOM 0 HA LEU A 24 -1.518 -9.679 0.272 1.00 72.20 H new ATOM 0 HB2 LEU A 24 1.028 -11.039 -0.651 1.00 35.04 H new ATOM 0 HB3 LEU A 24 -0.538 -11.469 -1.308 1.00 35.04 H new ATOM 0 HG LEU A 24 0.401 -8.605 -1.286 1.00 11.43 H new ATOM 0 HD11 LEU A 24 1.252 -8.955 -3.612 1.00 2.40 H new ATOM 0 HD12 LEU A 24 2.163 -9.922 -2.427 1.00 2.40 H new ATOM 0 HD13 LEU A 24 0.933 -10.699 -3.452 1.00 2.40 H new ATOM 0 HD21 LEU A 24 -1.099 -8.433 -3.266 1.00 63.54 H new ATOM 0 HD22 LEU A 24 -1.492 -10.161 -3.103 1.00 63.54 H new ATOM 0 HD23 LEU A 24 -1.969 -9.017 -1.827 1.00 63.54 H new ATOM 344 N GLN A 25 -0.041 -12.312 1.737 1.00 54.21 N ATOM 345 CA GLN A 25 -0.261 -13.555 2.474 1.00 52.10 C ATOM 346 C GLN A 25 -1.122 -13.354 3.724 1.00 41.51 C ATOM 347 O GLN A 25 -1.847 -14.270 4.116 1.00 23.23 O ATOM 348 CB GLN A 25 1.079 -14.186 2.874 1.00 25.43 C ATOM 349 CG GLN A 25 1.823 -14.808 1.688 1.00 53.11 C ATOM 350 CD GLN A 25 2.952 -15.694 2.197 1.00 34.54 C ATOM 351 OE1 GLN A 25 2.716 -16.788 2.708 1.00 61.51 O ATOM 352 NE2 GLN A 25 4.197 -15.275 2.103 1.00 42.21 N ATOM 0 H GLN A 25 0.945 -12.071 1.634 1.00 54.21 H new ATOM 0 HA GLN A 25 -0.801 -14.223 1.803 1.00 52.10 H new ATOM 0 HB2 GLN A 25 1.710 -13.425 3.334 1.00 25.43 H new ATOM 0 HB3 GLN A 25 0.903 -14.953 3.628 1.00 25.43 H new ATOM 0 HG2 GLN A 25 1.133 -15.394 1.081 1.00 53.11 H new ATOM 0 HG3 GLN A 25 2.225 -14.024 1.046 1.00 53.11 H new ATOM 0 HE21 GLN A 25 4.400 -14.369 1.680 1.00 42.21 H new ATOM 0 HE22 GLN A 25 4.959 -15.856 2.453 1.00 42.21 H new ATOM 361 N GLY A 26 -1.061 -12.178 4.352 1.00 31.01 N ATOM 362 CA GLY A 26 -1.846 -11.891 5.535 1.00 22.12 C ATOM 363 C GLY A 26 -3.270 -11.519 5.141 1.00 14.31 C ATOM 364 O GLY A 26 -4.228 -12.062 5.696 1.00 13.11 O ATOM 0 H GLY A 26 -0.466 -11.407 4.050 1.00 31.01 H new ATOM 0 HA2 GLY A 26 -1.858 -12.760 6.193 1.00 22.12 H new ATOM 0 HA3 GLY A 26 -1.390 -11.074 6.094 1.00 22.12 H new ATOM 368 N LEU A 27 -3.434 -10.596 4.188 1.00 33.42 N ATOM 369 CA LEU A 27 -4.739 -10.145 3.727 1.00 24.31 C ATOM 370 C LEU A 27 -5.508 -11.268 3.025 1.00 71.12 C ATOM 371 O LEU A 27 -6.730 -11.291 3.121 1.00 61.15 O ATOM 372 CB LEU A 27 -4.582 -8.855 2.907 1.00 45.23 C ATOM 373 CG LEU A 27 -5.669 -7.822 3.263 1.00 63.44 C ATOM 374 CD1 LEU A 27 -5.329 -6.446 2.694 1.00 42.31 C ATOM 375 CD2 LEU A 27 -7.031 -8.259 2.745 1.00 0.52 C ATOM 0 H LEU A 27 -2.654 -10.140 3.714 1.00 33.42 H new ATOM 0 HA LEU A 27 -5.366 -9.888 4.580 1.00 24.31 H new ATOM 0 HB2 LEU A 27 -3.597 -8.425 3.089 1.00 45.23 H new ATOM 0 HB3 LEU A 27 -4.636 -9.090 1.844 1.00 45.23 H new ATOM 0 HG LEU A 27 -5.707 -7.757 4.350 1.00 63.44 H new ATOM 0 HD11 LEU A 27 -6.113 -5.738 2.961 1.00 42.31 H new ATOM 0 HD12 LEU A 27 -4.378 -6.107 3.106 1.00 42.31 H new ATOM 0 HD13 LEU A 27 -5.252 -6.510 1.609 1.00 42.31 H new ATOM 0 HD21 LEU A 27 -7.778 -7.511 3.011 1.00 0.52 H new ATOM 0 HD22 LEU A 27 -6.992 -8.363 1.661 1.00 0.52 H new ATOM 0 HD23 LEU A 27 -7.300 -9.216 3.192 1.00 0.52 H new ATOM 387 N SER A 28 -4.848 -12.267 2.431 1.00 2.45 N ATOM 388 CA SER A 28 -5.531 -13.367 1.757 1.00 33.22 C ATOM 389 C SER A 28 -6.461 -14.162 2.692 1.00 14.44 C ATOM 390 O SER A 28 -7.354 -14.883 2.218 1.00 41.50 O ATOM 391 CB SER A 28 -4.490 -14.220 1.023 1.00 13.32 C ATOM 392 OG SER A 28 -3.638 -14.924 1.888 1.00 53.24 O ATOM 0 H SER A 28 -3.830 -12.333 2.406 1.00 2.45 H new ATOM 0 HA SER A 28 -6.217 -12.964 1.012 1.00 33.22 H new ATOM 0 HB2 SER A 28 -5.004 -14.929 0.374 1.00 13.32 H new ATOM 0 HB3 SER A 28 -3.891 -13.576 0.380 1.00 13.32 H new ATOM 0 HG SER A 28 -3.297 -14.317 2.577 1.00 53.24 H new ATOM 398 N SER A 29 -6.254 -14.048 4.009 1.00 11.40 N ATOM 399 CA SER A 29 -7.021 -14.670 5.080 1.00 72.03 C ATOM 400 C SER A 29 -7.802 -13.649 5.933 1.00 64.12 C ATOM 401 O SER A 29 -8.397 -14.051 6.931 1.00 73.42 O ATOM 402 CB SER A 29 -6.080 -15.522 5.943 1.00 33.41 C ATOM 403 OG SER A 29 -5.239 -16.357 5.162 1.00 22.35 O ATOM 0 H SER A 29 -5.491 -13.477 4.374 1.00 11.40 H new ATOM 0 HA SER A 29 -7.779 -15.308 4.625 1.00 72.03 H new ATOM 0 HB2 SER A 29 -5.465 -14.867 6.561 1.00 33.41 H new ATOM 0 HB3 SER A 29 -6.671 -16.138 6.621 1.00 33.41 H new ATOM 0 HG SER A 29 -4.657 -16.879 5.753 1.00 22.35 H new ATOM 409 N MET A 30 -7.784 -12.347 5.619 1.00 14.03 N ATOM 410 CA MET A 30 -8.471 -11.300 6.380 1.00 35.12 C ATOM 411 C MET A 30 -9.797 -10.886 5.738 1.00 71.45 C ATOM 412 O MET A 30 -9.946 -10.999 4.521 1.00 33.43 O ATOM 413 CB MET A 30 -7.563 -10.068 6.447 1.00 72.20 C ATOM 414 CG MET A 30 -6.377 -10.296 7.386 1.00 64.14 C ATOM 415 SD MET A 30 -6.745 -10.121 9.148 1.00 3.23 S ATOM 416 CE MET A 30 -7.040 -8.341 9.194 1.00 23.21 C ATOM 0 H MET A 30 -7.279 -11.986 4.810 1.00 14.03 H new ATOM 0 HA MET A 30 -8.687 -11.699 7.371 1.00 35.12 H new ATOM 0 HB2 MET A 30 -7.197 -9.830 5.448 1.00 72.20 H new ATOM 0 HB3 MET A 30 -8.139 -9.208 6.789 1.00 72.20 H new ATOM 0 HG2 MET A 30 -5.983 -11.297 7.211 1.00 64.14 H new ATOM 0 HG3 MET A 30 -5.587 -9.592 7.125 1.00 64.14 H new ATOM 0 HE1 MET A 30 -6.968 -7.987 10.222 1.00 23.21 H new ATOM 0 HE2 MET A 30 -6.295 -7.833 8.582 1.00 23.21 H new ATOM 0 HE3 MET A 30 -8.036 -8.127 8.806 1.00 23.21 H new ATOM 426 N PRO A 31 -10.743 -10.338 6.523 1.00 43.02 N ATOM 427 CA PRO A 31 -12.042 -9.897 6.032 1.00 63.53 C ATOM 428 C PRO A 31 -11.918 -8.565 5.282 1.00 24.34 C ATOM 429 O PRO A 31 -11.940 -7.497 5.895 1.00 53.02 O ATOM 430 CB PRO A 31 -12.910 -9.787 7.283 1.00 3.21 C ATOM 431 CG PRO A 31 -11.926 -9.406 8.383 1.00 25.12 C ATOM 432 CD PRO A 31 -10.661 -10.158 7.970 1.00 75.42 C ATOM 0 HA PRO A 31 -12.479 -10.587 5.310 1.00 63.53 H new ATOM 0 HB2 PRO A 31 -13.687 -9.032 7.164 1.00 3.21 H new ATOM 0 HB3 PRO A 31 -13.411 -10.729 7.505 1.00 3.21 H new ATOM 0 HG2 PRO A 31 -11.762 -8.329 8.426 1.00 25.12 H new ATOM 0 HG3 PRO A 31 -12.278 -9.714 9.367 1.00 25.12 H new ATOM 0 HD2 PRO A 31 -9.768 -9.595 8.241 1.00 75.42 H new ATOM 0 HD3 PRO A 31 -10.598 -11.120 8.478 1.00 75.42 H new ATOM 440 N GLY A 32 -11.763 -8.613 3.963 1.00 72.44 N ATOM 441 CA GLY A 32 -11.631 -7.434 3.124 1.00 25.03 C ATOM 442 C GLY A 32 -11.568 -7.908 1.688 1.00 34.20 C ATOM 443 O GLY A 32 -12.587 -7.887 0.992 1.00 32.14 O ATOM 0 H GLY A 32 -11.725 -9.489 3.441 1.00 72.44 H new ATOM 0 HA2 GLY A 32 -12.477 -6.762 3.270 1.00 25.03 H new ATOM 0 HA3 GLY A 32 -10.732 -6.876 3.384 1.00 25.03 H new ATOM 447 N PHE A 33 -10.367 -8.250 1.216 1.00 13.30 N ATOM 448 CA PHE A 33 -10.219 -8.775 -0.136 1.00 4.41 C ATOM 449 C PHE A 33 -10.304 -10.301 -0.029 1.00 22.44 C ATOM 450 O PHE A 33 -9.958 -10.862 1.013 1.00 22.14 O ATOM 451 CB PHE A 33 -8.849 -8.425 -0.708 1.00 40.33 C ATOM 452 CG PHE A 33 -8.574 -6.974 -1.037 1.00 32.23 C ATOM 453 CD1 PHE A 33 -7.992 -6.107 -0.092 1.00 23.11 C ATOM 454 CD2 PHE A 33 -8.739 -6.544 -2.363 1.00 55.31 C ATOM 455 CE1 PHE A 33 -7.542 -4.842 -0.492 1.00 44.54 C ATOM 456 CE2 PHE A 33 -8.269 -5.289 -2.768 1.00 32.23 C ATOM 457 CZ PHE A 33 -7.669 -4.441 -1.833 1.00 3.45 C ATOM 0 H PHE A 33 -9.497 -8.173 1.743 1.00 13.30 H new ATOM 0 HA PHE A 33 -10.989 -8.353 -0.782 1.00 4.41 H new ATOM 0 HB2 PHE A 33 -8.094 -8.756 0.004 1.00 40.33 H new ATOM 0 HB3 PHE A 33 -8.707 -9.008 -1.618 1.00 40.33 H new ATOM 0 HD1 PHE A 33 -7.893 -6.416 0.938 1.00 23.11 H new ATOM 0 HD2 PHE A 33 -9.233 -7.187 -3.077 1.00 55.31 H new ATOM 0 HE1 PHE A 33 -7.097 -4.174 0.231 1.00 44.54 H new ATOM 0 HE2 PHE A 33 -8.370 -4.978 -3.797 1.00 32.23 H new ATOM 0 HZ PHE A 33 -7.301 -3.474 -2.142 1.00 3.45 H new ATOM 467 N THR A 34 -10.703 -10.981 -1.101 1.00 53.41 N ATOM 468 CA THR A 34 -10.810 -12.435 -1.139 1.00 13.25 C ATOM 469 C THR A 34 -9.729 -12.992 -2.065 1.00 72.54 C ATOM 470 O THR A 34 -9.111 -12.239 -2.821 1.00 52.41 O ATOM 471 CB THR A 34 -12.230 -12.834 -1.558 1.00 64.25 C ATOM 472 OG1 THR A 34 -12.628 -12.096 -2.699 1.00 73.21 O ATOM 473 CG2 THR A 34 -13.204 -12.589 -0.403 1.00 33.42 C ATOM 0 H THR A 34 -10.964 -10.531 -1.978 1.00 53.41 H new ATOM 0 HA THR A 34 -10.642 -12.866 -0.152 1.00 13.25 H new ATOM 0 HB THR A 34 -12.240 -13.895 -1.808 1.00 64.25 H new ATOM 0 HG1 THR A 34 -13.535 -12.360 -2.959 1.00 73.21 H new ATOM 0 HG21 THR A 34 -14.210 -12.875 -0.709 1.00 33.42 H new ATOM 0 HG22 THR A 34 -12.904 -13.185 0.459 1.00 33.42 H new ATOM 0 HG23 THR A 34 -13.193 -11.532 -0.135 1.00 33.42 H new ATOM 481 N ALA A 35 -9.547 -14.317 -2.088 1.00 12.42 N ATOM 482 CA ALA A 35 -8.540 -14.996 -2.899 1.00 71.12 C ATOM 483 C ALA A 35 -8.551 -14.559 -4.371 1.00 21.04 C ATOM 484 O ALA A 35 -7.471 -14.348 -4.924 1.00 64.33 O ATOM 485 CB ALA A 35 -8.721 -16.506 -2.762 1.00 14.13 C ATOM 0 H ALA A 35 -10.110 -14.958 -1.529 1.00 12.42 H new ATOM 0 HA ALA A 35 -7.559 -14.708 -2.522 1.00 71.12 H new ATOM 0 HB1 ALA A 35 -7.972 -17.018 -3.365 1.00 14.13 H new ATOM 0 HB2 ALA A 35 -8.604 -16.793 -1.717 1.00 14.13 H new ATOM 0 HB3 ALA A 35 -9.717 -16.786 -3.106 1.00 14.13 H new ATOM 491 N SER A 36 -9.728 -14.359 -4.974 1.00 72.45 N ATOM 492 CA SER A 36 -9.861 -13.919 -6.361 1.00 30.21 C ATOM 493 C SER A 36 -9.221 -12.535 -6.527 1.00 44.14 C ATOM 494 O SER A 36 -8.515 -12.282 -7.501 1.00 25.11 O ATOM 495 CB SER A 36 -11.353 -13.866 -6.733 1.00 5.34 C ATOM 496 OG SER A 36 -11.580 -13.880 -8.129 1.00 75.23 O ATOM 0 H SER A 36 -10.623 -14.500 -4.505 1.00 72.45 H new ATOM 0 HA SER A 36 -9.352 -14.620 -7.022 1.00 30.21 H new ATOM 0 HB2 SER A 36 -11.864 -14.715 -6.280 1.00 5.34 H new ATOM 0 HB3 SER A 36 -11.795 -12.964 -6.309 1.00 5.34 H new ATOM 0 HG SER A 36 -12.544 -13.846 -8.304 1.00 75.23 H new ATOM 502 N GLN A 37 -9.482 -11.612 -5.602 1.00 61.01 N ATOM 503 CA GLN A 37 -8.927 -10.269 -5.669 1.00 55.00 C ATOM 504 C GLN A 37 -7.421 -10.314 -5.402 1.00 53.53 C ATOM 505 O GLN A 37 -6.661 -9.616 -6.070 1.00 35.41 O ATOM 506 CB GLN A 37 -9.671 -9.347 -4.701 1.00 51.04 C ATOM 507 CG GLN A 37 -11.198 -9.328 -4.908 1.00 71.33 C ATOM 508 CD GLN A 37 -11.586 -9.027 -6.357 1.00 31.43 C ATOM 509 OE1 GLN A 37 -10.979 -8.183 -7.008 1.00 20.11 O ATOM 510 NE2 GLN A 37 -12.562 -9.722 -6.915 1.00 42.22 N ATOM 0 H GLN A 37 -10.080 -11.776 -4.792 1.00 61.01 H new ATOM 0 HA GLN A 37 -9.063 -9.859 -6.670 1.00 55.00 H new ATOM 0 HB2 GLN A 37 -9.456 -9.660 -3.679 1.00 51.04 H new ATOM 0 HB3 GLN A 37 -9.286 -8.333 -4.812 1.00 51.04 H new ATOM 0 HG2 GLN A 37 -11.614 -10.293 -4.616 1.00 71.33 H new ATOM 0 HG3 GLN A 37 -11.642 -8.578 -4.253 1.00 71.33 H new ATOM 0 HE21 GLN A 37 -13.065 -10.423 -6.371 1.00 42.22 H new ATOM 0 HE22 GLN A 37 -12.813 -9.557 -7.890 1.00 42.22 H new ATOM 519 N LEU A 38 -6.975 -11.153 -4.460 1.00 63.34 N ATOM 520 CA LEU A 38 -5.561 -11.310 -4.130 1.00 63.23 C ATOM 521 C LEU A 38 -4.800 -11.829 -5.362 1.00 5.15 C ATOM 522 O LEU A 38 -3.614 -11.528 -5.522 1.00 65.13 O ATOM 523 CB LEU A 38 -5.373 -12.306 -2.977 1.00 21.14 C ATOM 524 CG LEU A 38 -5.334 -11.750 -1.549 1.00 73.32 C ATOM 525 CD1 LEU A 38 -4.182 -10.776 -1.319 1.00 21.23 C ATOM 526 CD2 LEU A 38 -6.654 -11.142 -1.092 1.00 33.21 C ATOM 0 H LEU A 38 -7.592 -11.744 -3.904 1.00 63.34 H new ATOM 0 HA LEU A 38 -5.173 -10.338 -3.825 1.00 63.23 H new ATOM 0 HB2 LEU A 38 -6.181 -13.036 -3.030 1.00 21.14 H new ATOM 0 HB3 LEU A 38 -4.443 -12.847 -3.151 1.00 21.14 H new ATOM 0 HG LEU A 38 -5.156 -12.626 -0.925 1.00 73.32 H new ATOM 0 HD11 LEU A 38 -4.209 -10.418 -0.290 1.00 21.23 H new ATOM 0 HD12 LEU A 38 -3.235 -11.283 -1.502 1.00 21.23 H new ATOM 0 HD13 LEU A 38 -4.279 -9.931 -2.000 1.00 21.23 H new ATOM 0 HD21 LEU A 38 -6.550 -10.770 -0.073 1.00 33.21 H new ATOM 0 HD22 LEU A 38 -6.923 -10.318 -1.753 1.00 33.21 H new ATOM 0 HD23 LEU A 38 -7.435 -11.902 -1.123 1.00 33.21 H new ATOM 538 N ASP A 39 -5.456 -12.621 -6.220 1.00 24.01 N ATOM 539 CA ASP A 39 -4.858 -13.164 -7.438 1.00 22.41 C ATOM 540 C ASP A 39 -4.491 -12.001 -8.356 1.00 41.31 C ATOM 541 O ASP A 39 -3.382 -11.967 -8.896 1.00 35.35 O ATOM 542 CB ASP A 39 -5.809 -14.131 -8.158 1.00 33.30 C ATOM 543 CG ASP A 39 -5.185 -14.684 -9.438 1.00 61.40 C ATOM 544 OD1 ASP A 39 -5.715 -14.458 -10.548 1.00 0.54 O ATOM 545 OD2 ASP A 39 -4.161 -15.404 -9.336 1.00 42.12 O ATOM 0 H ASP A 39 -6.427 -12.903 -6.083 1.00 24.01 H new ATOM 0 HA ASP A 39 -3.968 -13.733 -7.170 1.00 22.41 H new ATOM 0 HB2 ASP A 39 -6.064 -14.955 -7.492 1.00 33.30 H new ATOM 0 HB3 ASP A 39 -6.739 -13.616 -8.399 1.00 33.30 H new ATOM 550 N ASP A 40 -5.407 -11.037 -8.491 1.00 10.40 N ATOM 551 CA ASP A 40 -5.279 -9.820 -9.299 1.00 65.43 C ATOM 552 C ASP A 40 -4.166 -8.934 -8.726 1.00 33.03 C ATOM 553 O ASP A 40 -3.353 -8.357 -9.452 1.00 41.20 O ATOM 554 CB ASP A 40 -6.601 -9.019 -9.242 1.00 22.14 C ATOM 555 CG ASP A 40 -7.046 -8.395 -10.564 1.00 41.23 C ATOM 556 OD1 ASP A 40 -8.230 -7.984 -10.627 1.00 62.12 O ATOM 557 OD2 ASP A 40 -6.233 -8.292 -11.510 1.00 34.33 O ATOM 0 H ASP A 40 -6.307 -11.088 -8.013 1.00 10.40 H new ATOM 0 HA ASP A 40 -5.048 -10.104 -10.326 1.00 65.43 H new ATOM 0 HB2 ASP A 40 -7.392 -9.680 -8.887 1.00 22.14 H new ATOM 0 HB3 ASP A 40 -6.494 -8.225 -8.503 1.00 22.14 H new ATOM 562 N LEU A 41 -4.107 -8.856 -7.392 1.00 63.13 N ATOM 563 CA LEU A 41 -3.133 -8.059 -6.661 1.00 14.14 C ATOM 564 C LEU A 41 -1.693 -8.430 -6.977 1.00 14.22 C ATOM 565 O LEU A 41 -0.837 -7.559 -6.844 1.00 75.43 O ATOM 566 CB LEU A 41 -3.340 -8.073 -5.142 1.00 42.15 C ATOM 567 CG LEU A 41 -4.622 -7.428 -4.580 1.00 42.44 C ATOM 568 CD1 LEU A 41 -4.280 -6.836 -3.216 1.00 74.24 C ATOM 569 CD2 LEU A 41 -5.201 -6.293 -5.428 1.00 34.55 C ATOM 0 H LEU A 41 -4.752 -9.359 -6.783 1.00 63.13 H new ATOM 0 HA LEU A 41 -3.314 -7.045 -7.017 1.00 14.14 H new ATOM 0 HB2 LEU A 41 -3.316 -9.111 -4.811 1.00 42.15 H new ATOM 0 HB3 LEU A 41 -2.486 -7.573 -4.684 1.00 42.15 H new ATOM 0 HG LEU A 41 -5.374 -8.217 -4.553 1.00 42.44 H new ATOM 0 HD11 LEU A 41 -5.168 -6.370 -2.789 1.00 74.24 H new ATOM 0 HD12 LEU A 41 -3.931 -7.628 -2.553 1.00 74.24 H new ATOM 0 HD13 LEU A 41 -3.497 -6.087 -3.331 1.00 74.24 H new ATOM 0 HD21 LEU A 41 -6.100 -5.904 -4.950 1.00 34.55 H new ATOM 0 HD22 LEU A 41 -4.465 -5.495 -5.519 1.00 34.55 H new ATOM 0 HD23 LEU A 41 -5.451 -6.671 -6.419 1.00 34.55 H new ATOM 581 N SER A 42 -1.392 -9.685 -7.325 1.00 53.35 N ATOM 582 CA SER A 42 -0.023 -10.091 -7.644 1.00 51.42 C ATOM 583 C SER A 42 0.568 -9.138 -8.698 1.00 51.21 C ATOM 584 O SER A 42 1.705 -8.689 -8.545 1.00 3.41 O ATOM 585 CB SER A 42 -0.004 -11.561 -8.088 1.00 63.12 C ATOM 586 OG SER A 42 1.287 -12.143 -8.008 1.00 61.12 O ATOM 0 H SER A 42 -2.079 -10.436 -7.392 1.00 53.35 H new ATOM 0 HA SER A 42 0.609 -10.020 -6.759 1.00 51.42 H new ATOM 0 HB2 SER A 42 -0.694 -12.132 -7.467 1.00 63.12 H new ATOM 0 HB3 SER A 42 -0.366 -11.631 -9.114 1.00 63.12 H new ATOM 0 HG SER A 42 1.243 -13.078 -8.300 1.00 61.12 H new ATOM 592 N THR A 43 -0.211 -8.781 -9.727 1.00 73.33 N ATOM 593 CA THR A 43 0.237 -7.878 -10.778 1.00 70.51 C ATOM 594 C THR A 43 0.523 -6.501 -10.182 1.00 12.32 C ATOM 595 O THR A 43 1.617 -5.968 -10.364 1.00 51.42 O ATOM 596 CB THR A 43 -0.835 -7.808 -11.880 1.00 50.31 C ATOM 597 OG1 THR A 43 -0.984 -9.064 -12.508 1.00 1.32 O ATOM 598 CG2 THR A 43 -0.509 -6.790 -12.971 1.00 42.33 C ATOM 0 H THR A 43 -1.168 -9.113 -9.848 1.00 73.33 H new ATOM 0 HA THR A 43 1.160 -8.247 -11.225 1.00 70.51 H new ATOM 0 HB THR A 43 -1.751 -7.502 -11.375 1.00 50.31 H new ATOM 0 HG1 THR A 43 -1.670 -9.002 -13.205 1.00 1.32 H new ATOM 0 HG21 THR A 43 -1.303 -6.789 -13.717 1.00 42.33 H new ATOM 0 HG22 THR A 43 -0.426 -5.797 -12.529 1.00 42.33 H new ATOM 0 HG23 THR A 43 0.435 -7.056 -13.446 1.00 42.33 H new ATOM 606 N ILE A 44 -0.460 -5.938 -9.477 1.00 43.42 N ATOM 607 CA ILE A 44 -0.423 -4.627 -8.838 1.00 34.31 C ATOM 608 C ILE A 44 0.816 -4.499 -7.950 1.00 14.42 C ATOM 609 O ILE A 44 1.566 -3.529 -8.066 1.00 41.43 O ATOM 610 CB ILE A 44 -1.759 -4.394 -8.085 1.00 22.21 C ATOM 611 CG1 ILE A 44 -2.930 -4.424 -9.099 1.00 61.31 C ATOM 612 CG2 ILE A 44 -1.727 -3.050 -7.343 1.00 1.20 C ATOM 613 CD1 ILE A 44 -4.344 -4.395 -8.517 1.00 14.53 C ATOM 0 H ILE A 44 -1.351 -6.413 -9.330 1.00 43.42 H new ATOM 0 HA ILE A 44 -0.332 -3.837 -9.584 1.00 34.31 H new ATOM 0 HB ILE A 44 -1.901 -5.185 -7.349 1.00 22.21 H new ATOM 0 HG12 ILE A 44 -2.821 -3.572 -9.770 1.00 61.31 H new ATOM 0 HG13 ILE A 44 -2.831 -5.323 -9.707 1.00 61.31 H new ATOM 0 HG21 ILE A 44 -2.671 -2.901 -6.820 1.00 1.20 H new ATOM 0 HG22 ILE A 44 -0.909 -3.052 -6.623 1.00 1.20 H new ATOM 0 HG23 ILE A 44 -1.578 -2.242 -8.060 1.00 1.20 H new ATOM 0 HD11 ILE A 44 -5.072 -4.420 -9.328 1.00 14.53 H new ATOM 0 HD12 ILE A 44 -4.490 -5.261 -7.872 1.00 14.53 H new ATOM 0 HD13 ILE A 44 -4.480 -3.483 -7.936 1.00 14.53 H new ATOM 625 N ALA A 45 1.031 -5.476 -7.073 1.00 50.23 N ATOM 626 CA ALA A 45 2.150 -5.524 -6.157 1.00 35.32 C ATOM 627 C ALA A 45 3.463 -5.483 -6.951 1.00 23.21 C ATOM 628 O ALA A 45 4.331 -4.651 -6.666 1.00 71.12 O ATOM 629 CB ALA A 45 1.986 -6.770 -5.276 1.00 13.13 C ATOM 0 H ALA A 45 0.407 -6.278 -6.983 1.00 50.23 H new ATOM 0 HA ALA A 45 2.179 -4.659 -5.494 1.00 35.32 H new ATOM 0 HB1 ALA A 45 2.818 -6.831 -4.574 1.00 13.13 H new ATOM 0 HB2 ALA A 45 1.049 -6.704 -4.723 1.00 13.13 H new ATOM 0 HB3 ALA A 45 1.975 -7.661 -5.904 1.00 13.13 H new ATOM 635 N GLN A 46 3.612 -6.329 -7.978 1.00 3.42 N ATOM 636 CA GLN A 46 4.816 -6.347 -8.786 1.00 3.02 C ATOM 637 C GLN A 46 5.051 -5.005 -9.494 1.00 24.33 C ATOM 638 O GLN A 46 6.216 -4.604 -9.613 1.00 42.11 O ATOM 639 CB GLN A 46 4.747 -7.493 -9.797 1.00 21.50 C ATOM 640 CG GLN A 46 5.083 -8.859 -9.183 1.00 35.42 C ATOM 641 CD GLN A 46 5.533 -9.822 -10.274 1.00 2.14 C ATOM 642 OE1 GLN A 46 4.773 -10.157 -11.177 1.00 62.42 O ATOM 643 NE2 GLN A 46 6.800 -10.193 -10.294 1.00 13.04 N ATOM 0 H GLN A 46 2.906 -7.008 -8.262 1.00 3.42 H new ATOM 0 HA GLN A 46 5.665 -6.508 -8.122 1.00 3.02 H new ATOM 0 HB2 GLN A 46 3.746 -7.531 -10.226 1.00 21.50 H new ATOM 0 HB3 GLN A 46 5.438 -7.290 -10.615 1.00 21.50 H new ATOM 0 HG2 GLN A 46 5.870 -8.748 -8.437 1.00 35.42 H new ATOM 0 HG3 GLN A 46 4.210 -9.261 -8.669 1.00 35.42 H new ATOM 0 HE21 GLN A 46 7.426 -9.911 -9.540 1.00 13.04 H new ATOM 0 HE22 GLN A 46 7.153 -10.762 -11.064 1.00 13.04 H new ATOM 652 N SER A 47 3.992 -4.297 -9.916 1.00 45.43 N ATOM 653 CA SER A 47 4.096 -3.001 -10.590 1.00 34.31 C ATOM 654 C SER A 47 4.757 -1.956 -9.691 1.00 74.33 C ATOM 655 O SER A 47 5.272 -0.954 -10.191 1.00 73.21 O ATOM 656 CB SER A 47 2.716 -2.475 -11.015 1.00 34.04 C ATOM 657 OG SER A 47 2.042 -3.354 -11.889 1.00 53.13 O ATOM 0 H SER A 47 3.030 -4.615 -9.796 1.00 45.43 H new ATOM 0 HA SER A 47 4.711 -3.163 -11.475 1.00 34.31 H new ATOM 0 HB2 SER A 47 2.105 -2.313 -10.127 1.00 34.04 H new ATOM 0 HB3 SER A 47 2.835 -1.507 -11.501 1.00 34.04 H new ATOM 0 HG SER A 47 1.873 -4.204 -11.432 1.00 53.13 H new ATOM 663 N LEU A 48 4.749 -2.146 -8.371 1.00 64.45 N ATOM 664 CA LEU A 48 5.352 -1.216 -7.429 1.00 34.12 C ATOM 665 C LEU A 48 6.833 -1.563 -7.284 1.00 54.44 C ATOM 666 O LEU A 48 7.673 -0.692 -7.527 1.00 4.31 O ATOM 667 CB LEU A 48 4.590 -1.238 -6.095 1.00 33.44 C ATOM 668 CG LEU A 48 3.125 -0.778 -6.256 1.00 51.51 C ATOM 669 CD1 LEU A 48 2.314 -1.177 -5.033 1.00 12.40 C ATOM 670 CD2 LEU A 48 3.001 0.736 -6.476 1.00 54.02 C ATOM 0 H LEU A 48 4.319 -2.958 -7.927 1.00 64.45 H new ATOM 0 HA LEU A 48 5.284 -0.192 -7.796 1.00 34.12 H new ATOM 0 HB2 LEU A 48 4.610 -2.247 -5.683 1.00 33.44 H new ATOM 0 HB3 LEU A 48 5.096 -0.591 -5.378 1.00 33.44 H new ATOM 0 HG LEU A 48 2.736 -1.273 -7.146 1.00 51.51 H new ATOM 0 HD11 LEU A 48 1.282 -0.848 -5.157 1.00 12.40 H new ATOM 0 HD12 LEU A 48 2.338 -2.261 -4.918 1.00 12.40 H new ATOM 0 HD13 LEU A 48 2.740 -0.709 -4.145 1.00 12.40 H new ATOM 0 HD21 LEU A 48 1.950 1.003 -6.583 1.00 54.02 H new ATOM 0 HD22 LEU A 48 3.425 1.264 -5.622 1.00 54.02 H new ATOM 0 HD23 LEU A 48 3.541 1.018 -7.380 1.00 54.02 H new ATOM 682 N VAL A 49 7.166 -2.823 -6.960 1.00 22.31 N ATOM 683 CA VAL A 49 8.560 -3.261 -6.801 1.00 1.44 C ATOM 684 C VAL A 49 9.357 -2.960 -8.080 1.00 51.10 C ATOM 685 O VAL A 49 10.531 -2.606 -7.985 1.00 43.24 O ATOM 686 CB VAL A 49 8.664 -4.742 -6.375 1.00 64.32 C ATOM 687 CG1 VAL A 49 10.105 -5.110 -5.996 1.00 43.45 C ATOM 688 CG2 VAL A 49 7.789 -5.064 -5.164 1.00 40.23 C ATOM 0 H VAL A 49 6.481 -3.562 -6.802 1.00 22.31 H new ATOM 0 HA VAL A 49 9.005 -2.691 -5.986 1.00 1.44 H new ATOM 0 HB VAL A 49 8.326 -5.316 -7.238 1.00 64.32 H new ATOM 0 HG11 VAL A 49 10.147 -6.158 -5.701 1.00 43.45 H new ATOM 0 HG12 VAL A 49 10.759 -4.948 -6.853 1.00 43.45 H new ATOM 0 HG13 VAL A 49 10.434 -4.485 -5.165 1.00 43.45 H new ATOM 0 HG21 VAL A 49 7.899 -6.117 -4.906 1.00 40.23 H new ATOM 0 HG22 VAL A 49 8.097 -4.449 -4.319 1.00 40.23 H new ATOM 0 HG23 VAL A 49 6.746 -4.856 -5.403 1.00 40.23 H new ATOM 698 N GLN A 50 8.720 -3.019 -9.259 1.00 1.22 N ATOM 699 CA GLN A 50 9.328 -2.733 -10.557 1.00 33.25 C ATOM 700 C GLN A 50 10.057 -1.385 -10.516 1.00 32.45 C ATOM 701 O GLN A 50 11.203 -1.295 -10.971 1.00 14.42 O ATOM 702 CB GLN A 50 8.229 -2.708 -11.630 1.00 53.22 C ATOM 703 CG GLN A 50 8.032 -4.067 -12.300 1.00 35.24 C ATOM 704 CD GLN A 50 6.666 -4.165 -12.969 1.00 21.32 C ATOM 705 OE1 GLN A 50 6.231 -3.241 -13.646 1.00 52.15 O ATOM 706 NE2 GLN A 50 5.953 -5.256 -12.763 1.00 14.20 N ATOM 0 H GLN A 50 7.736 -3.276 -9.332 1.00 1.22 H new ATOM 0 HA GLN A 50 10.055 -3.509 -10.797 1.00 33.25 H new ATOM 0 HB2 GLN A 50 7.290 -2.391 -11.176 1.00 53.22 H new ATOM 0 HB3 GLN A 50 8.483 -1.967 -12.388 1.00 53.22 H new ATOM 0 HG2 GLN A 50 8.814 -4.225 -13.042 1.00 35.24 H new ATOM 0 HG3 GLN A 50 8.133 -4.858 -11.557 1.00 35.24 H new ATOM 0 HE21 GLN A 50 6.333 -6.014 -12.196 1.00 14.20 H new ATOM 0 HE22 GLN A 50 5.022 -5.341 -13.170 1.00 14.20 H new ATOM 715 N SER A 51 9.400 -0.347 -9.989 1.00 11.11 N ATOM 716 CA SER A 51 9.974 0.979 -9.869 1.00 42.50 C ATOM 717 C SER A 51 11.035 0.985 -8.779 1.00 42.10 C ATOM 718 O SER A 51 12.128 1.481 -9.024 1.00 22.23 O ATOM 719 CB SER A 51 8.899 2.012 -9.530 1.00 3.32 C ATOM 720 OG SER A 51 8.173 2.394 -10.682 1.00 41.52 O ATOM 0 H SER A 51 8.446 -0.414 -9.633 1.00 11.11 H new ATOM 0 HA SER A 51 10.423 1.242 -10.827 1.00 42.50 H new ATOM 0 HB2 SER A 51 8.216 1.599 -8.787 1.00 3.32 H new ATOM 0 HB3 SER A 51 9.364 2.890 -9.082 1.00 3.32 H new ATOM 0 HG SER A 51 7.492 3.054 -10.435 1.00 41.52 H new ATOM 726 N ILE A 52 10.754 0.427 -7.599 1.00 41.44 N ATOM 727 CA ILE A 52 11.707 0.406 -6.490 1.00 64.25 C ATOM 728 C ILE A 52 13.052 -0.171 -6.962 1.00 44.01 C ATOM 729 O ILE A 52 14.105 0.379 -6.631 1.00 23.21 O ATOM 730 CB ILE A 52 11.118 -0.320 -5.256 1.00 53.35 C ATOM 731 CG1 ILE A 52 9.736 0.257 -4.861 1.00 23.35 C ATOM 732 CG2 ILE A 52 12.107 -0.177 -4.089 1.00 33.22 C ATOM 733 CD1 ILE A 52 9.039 -0.481 -3.719 1.00 70.00 C ATOM 0 H ILE A 52 9.862 -0.021 -7.387 1.00 41.44 H new ATOM 0 HA ILE A 52 11.901 1.427 -6.160 1.00 64.25 H new ATOM 0 HB ILE A 52 10.970 -1.372 -5.501 1.00 53.35 H new ATOM 0 HG12 ILE A 52 9.861 1.302 -4.577 1.00 23.35 H new ATOM 0 HG13 ILE A 52 9.087 0.240 -5.736 1.00 23.35 H new ATOM 0 HG21 ILE A 52 11.708 -0.683 -3.210 1.00 33.22 H new ATOM 0 HG22 ILE A 52 13.062 -0.626 -4.364 1.00 33.22 H new ATOM 0 HG23 ILE A 52 12.254 0.879 -3.864 1.00 33.22 H new ATOM 0 HD11 ILE A 52 8.079 -0.007 -3.512 1.00 70.00 H new ATOM 0 HD12 ILE A 52 8.877 -1.521 -4.003 1.00 70.00 H new ATOM 0 HD13 ILE A 52 9.663 -0.442 -2.826 1.00 70.00 H new ATOM 745 N GLN A 53 13.023 -1.241 -7.759 1.00 0.14 N ATOM 746 CA GLN A 53 14.196 -1.903 -8.312 1.00 43.13 C ATOM 747 C GLN A 53 14.899 -0.998 -9.333 1.00 43.20 C ATOM 748 O GLN A 53 16.117 -0.815 -9.279 1.00 32.35 O ATOM 749 CB GLN A 53 13.743 -3.216 -8.979 1.00 13.24 C ATOM 750 CG GLN A 53 13.683 -4.413 -8.018 1.00 12.24 C ATOM 751 CD GLN A 53 15.064 -4.877 -7.545 1.00 23.34 C ATOM 752 OE1 GLN A 53 16.078 -4.217 -7.777 1.00 32.25 O ATOM 753 NE2 GLN A 53 15.150 -6.012 -6.876 1.00 70.14 N ATOM 0 H GLN A 53 12.149 -1.682 -8.044 1.00 0.14 H new ATOM 0 HA GLN A 53 14.908 -2.116 -7.515 1.00 43.13 H new ATOM 0 HB2 GLN A 53 12.758 -3.067 -9.420 1.00 13.24 H new ATOM 0 HB3 GLN A 53 14.425 -3.452 -9.796 1.00 13.24 H new ATOM 0 HG2 GLN A 53 13.080 -4.144 -7.150 1.00 12.24 H new ATOM 0 HG3 GLN A 53 13.178 -5.243 -8.512 1.00 12.24 H new ATOM 0 HE21 GLN A 53 14.309 -6.557 -6.685 1.00 70.14 H new ATOM 0 HE22 GLN A 53 16.058 -6.344 -6.550 1.00 70.14 H new ATOM 762 N SER A 54 14.141 -0.425 -10.269 1.00 65.20 N ATOM 763 CA SER A 54 14.624 0.474 -11.314 1.00 35.50 C ATOM 764 C SER A 54 15.336 1.681 -10.688 1.00 53.12 C ATOM 765 O SER A 54 16.399 2.116 -11.139 1.00 34.44 O ATOM 766 CB SER A 54 13.387 0.904 -12.113 1.00 13.34 C ATOM 767 OG SER A 54 13.682 1.540 -13.334 1.00 55.21 O ATOM 0 H SER A 54 13.134 -0.582 -10.320 1.00 65.20 H new ATOM 0 HA SER A 54 15.351 -0.013 -11.964 1.00 35.50 H new ATOM 0 HB2 SER A 54 12.774 0.025 -12.313 1.00 13.34 H new ATOM 0 HB3 SER A 54 12.789 1.578 -11.500 1.00 13.34 H new ATOM 0 HG SER A 54 12.847 1.783 -13.786 1.00 55.21 H new ATOM 773 N LEU A 55 14.771 2.213 -9.609 1.00 4.31 N ATOM 774 CA LEU A 55 15.296 3.350 -8.882 1.00 24.12 C ATOM 775 C LEU A 55 16.480 2.949 -8.011 1.00 50.03 C ATOM 776 O LEU A 55 17.368 3.773 -7.785 1.00 31.42 O ATOM 777 CB LEU A 55 14.177 3.986 -8.051 1.00 50.21 C ATOM 778 CG LEU A 55 13.329 5.037 -8.798 1.00 24.25 C ATOM 779 CD1 LEU A 55 14.154 6.294 -9.093 1.00 71.31 C ATOM 780 CD2 LEU A 55 12.686 4.566 -10.105 1.00 71.43 C ATOM 0 H LEU A 55 13.907 1.848 -9.208 1.00 4.31 H new ATOM 0 HA LEU A 55 15.664 4.088 -9.595 1.00 24.12 H new ATOM 0 HB2 LEU A 55 13.517 3.196 -7.693 1.00 50.21 H new ATOM 0 HB3 LEU A 55 14.619 4.455 -7.172 1.00 50.21 H new ATOM 0 HG LEU A 55 12.510 5.243 -8.109 1.00 24.25 H new ATOM 0 HD11 LEU A 55 13.535 7.020 -9.620 1.00 71.31 H new ATOM 0 HD12 LEU A 55 14.504 6.728 -8.156 1.00 71.31 H new ATOM 0 HD13 LEU A 55 15.011 6.030 -9.713 1.00 71.31 H new ATOM 0 HD21 LEU A 55 12.115 5.383 -10.545 1.00 71.43 H new ATOM 0 HD22 LEU A 55 13.464 4.252 -10.801 1.00 71.43 H new ATOM 0 HD23 LEU A 55 12.021 3.727 -9.902 1.00 71.43 H new ATOM 792 N ALA A 56 16.518 1.715 -7.493 1.00 64.25 N ATOM 793 CA ALA A 56 17.621 1.235 -6.659 1.00 54.22 C ATOM 794 C ALA A 56 18.923 1.234 -7.459 1.00 51.33 C ATOM 795 O ALA A 56 19.990 1.454 -6.887 1.00 40.11 O ATOM 796 CB ALA A 56 17.335 -0.167 -6.117 1.00 61.31 C ATOM 0 H ALA A 56 15.784 1.023 -7.642 1.00 64.25 H new ATOM 0 HA ALA A 56 17.723 1.911 -5.810 1.00 54.22 H new ATOM 0 HB1 ALA A 56 18.172 -0.497 -5.501 1.00 61.31 H new ATOM 0 HB2 ALA A 56 16.427 -0.146 -5.514 1.00 61.31 H new ATOM 0 HB3 ALA A 56 17.202 -0.859 -6.949 1.00 61.31 H new ATOM 802 N ALA A 57 18.821 1.053 -8.779 1.00 62.12 N ATOM 803 CA ALA A 57 19.944 1.040 -9.698 1.00 40.30 C ATOM 804 C ALA A 57 20.734 2.347 -9.574 1.00 74.25 C ATOM 805 O ALA A 57 21.960 2.340 -9.476 1.00 20.25 O ATOM 806 CB ALA A 57 19.400 0.886 -11.123 1.00 22.52 C ATOM 0 H ALA A 57 17.924 0.908 -9.243 1.00 62.12 H new ATOM 0 HA ALA A 57 20.612 0.211 -9.464 1.00 40.30 H new ATOM 0 HB1 ALA A 57 20.230 0.874 -11.830 1.00 22.52 H new ATOM 0 HB2 ALA A 57 18.843 -0.048 -11.201 1.00 22.52 H new ATOM 0 HB3 ALA A 57 18.740 1.722 -11.353 1.00 22.52 H new ATOM 812 N GLN A 58 20.019 3.473 -9.566 1.00 72.10 N ATOM 813 CA GLN A 58 20.592 4.810 -9.467 1.00 73.25 C ATOM 814 C GLN A 58 20.753 5.247 -8.004 1.00 74.01 C ATOM 815 O GLN A 58 21.552 6.139 -7.713 1.00 5.53 O ATOM 816 CB GLN A 58 19.710 5.774 -10.279 1.00 21.44 C ATOM 817 CG GLN A 58 19.659 5.351 -11.762 1.00 62.14 C ATOM 818 CD GLN A 58 18.724 6.207 -12.609 1.00 41.52 C ATOM 819 OE1 GLN A 58 17.618 6.543 -12.183 1.00 62.23 O ATOM 820 NE2 GLN A 58 19.124 6.550 -13.822 1.00 12.13 N ATOM 0 H GLN A 58 19.001 3.477 -9.630 1.00 72.10 H new ATOM 0 HA GLN A 58 21.599 4.817 -9.884 1.00 73.25 H new ATOM 0 HB2 GLN A 58 18.702 5.788 -9.865 1.00 21.44 H new ATOM 0 HB3 GLN A 58 20.102 6.788 -10.198 1.00 21.44 H new ATOM 0 HG2 GLN A 58 20.664 5.402 -12.181 1.00 62.14 H new ATOM 0 HG3 GLN A 58 19.341 4.310 -11.824 1.00 62.14 H new ATOM 0 HE21 GLN A 58 20.044 6.262 -14.156 1.00 12.13 H new ATOM 0 HE22 GLN A 58 18.513 7.103 -14.423 1.00 12.13 H new ATOM 829 N GLY A 59 20.009 4.636 -7.076 1.00 4.12 N ATOM 830 CA GLY A 59 20.060 4.922 -5.646 1.00 53.11 C ATOM 831 C GLY A 59 19.435 6.265 -5.269 1.00 5.45 C ATOM 832 O GLY A 59 19.663 6.735 -4.155 1.00 4.32 O ATOM 0 H GLY A 59 19.335 3.907 -7.311 1.00 4.12 H new ATOM 0 HA2 GLY A 59 19.546 4.127 -5.106 1.00 53.11 H new ATOM 0 HA3 GLY A 59 21.099 4.909 -5.318 1.00 53.11 H new ATOM 836 N ARG A 60 18.688 6.917 -6.171 1.00 2.22 N ATOM 837 CA ARG A 60 18.072 8.218 -5.918 1.00 11.24 C ATOM 838 C ARG A 60 16.652 8.265 -6.450 1.00 4.14 C ATOM 839 O ARG A 60 16.450 8.174 -7.661 1.00 25.15 O ATOM 840 CB ARG A 60 18.915 9.320 -6.572 1.00 63.31 C ATOM 841 CG ARG A 60 20.271 9.484 -5.873 1.00 52.23 C ATOM 842 CD ARG A 60 20.987 10.723 -6.396 1.00 24.35 C ATOM 843 NE ARG A 60 20.397 11.960 -5.860 1.00 0.53 N ATOM 844 CZ ARG A 60 20.281 13.122 -6.511 1.00 22.34 C ATOM 845 NH1 ARG A 60 20.718 13.233 -7.761 1.00 3.34 N ATOM 846 NH2 ARG A 60 19.718 14.170 -5.922 1.00 3.15 N ATOM 0 H ARG A 60 18.495 6.549 -7.103 1.00 2.22 H new ATOM 0 HA ARG A 60 18.032 8.378 -4.840 1.00 11.24 H new ATOM 0 HB2 ARG A 60 19.074 9.082 -7.624 1.00 63.31 H new ATOM 0 HB3 ARG A 60 18.371 10.264 -6.538 1.00 63.31 H new ATOM 0 HG2 ARG A 60 20.125 9.567 -4.796 1.00 52.23 H new ATOM 0 HG3 ARG A 60 20.886 8.600 -6.044 1.00 52.23 H new ATOM 0 HD2 ARG A 60 22.042 10.676 -6.125 1.00 24.35 H new ATOM 0 HD3 ARG A 60 20.939 10.739 -7.485 1.00 24.35 H new ATOM 0 HE ARG A 60 20.044 11.928 -4.904 1.00 0.53 H new ATOM 0 HH11 ARG A 60 21.143 12.431 -8.226 1.00 3.34 H new ATOM 0 HH12 ARG A 60 20.628 14.121 -8.256 1.00 3.34 H new ATOM 0 HH21 ARG A 60 19.370 14.092 -4.966 1.00 3.15 H new ATOM 0 HH22 ARG A 60 19.633 15.053 -6.425 1.00 3.15 H new ATOM 860 N THR A 61 15.686 8.457 -5.562 1.00 62.21 N ATOM 861 CA THR A 61 14.264 8.542 -5.821 1.00 61.51 C ATOM 862 C THR A 61 13.771 9.856 -5.233 1.00 33.44 C ATOM 863 O THR A 61 13.565 9.952 -4.020 1.00 64.51 O ATOM 864 CB THR A 61 13.533 7.339 -5.192 1.00 73.05 C ATOM 865 OG1 THR A 61 14.267 6.154 -5.406 1.00 65.34 O ATOM 866 CG2 THR A 61 12.135 7.178 -5.795 1.00 34.22 C ATOM 0 H THR A 61 15.897 8.565 -4.570 1.00 62.21 H new ATOM 0 HA THR A 61 14.062 8.515 -6.892 1.00 61.51 H new ATOM 0 HB THR A 61 13.442 7.524 -4.122 1.00 73.05 H new ATOM 0 HG1 THR A 61 13.793 5.398 -5.000 1.00 65.34 H new ATOM 0 HG21 THR A 61 11.637 6.323 -5.337 1.00 34.22 H new ATOM 0 HG22 THR A 61 11.552 8.080 -5.609 1.00 34.22 H new ATOM 0 HG23 THR A 61 12.219 7.016 -6.870 1.00 34.22 H new ATOM 874 N SER A 62 13.603 10.881 -6.069 1.00 34.00 N ATOM 875 CA SER A 62 13.115 12.185 -5.628 1.00 31.33 C ATOM 876 C SER A 62 11.781 11.945 -4.894 1.00 33.52 C ATOM 877 O SER A 62 10.986 11.125 -5.370 1.00 34.51 O ATOM 878 CB SER A 62 12.978 13.102 -6.853 1.00 34.51 C ATOM 879 OG SER A 62 14.024 12.850 -7.781 1.00 31.20 O ATOM 0 H SER A 62 13.801 10.830 -7.068 1.00 34.00 H new ATOM 0 HA SER A 62 13.799 12.683 -4.941 1.00 31.33 H new ATOM 0 HB2 SER A 62 12.012 12.939 -7.331 1.00 34.51 H new ATOM 0 HB3 SER A 62 13.006 14.145 -6.539 1.00 34.51 H new ATOM 0 HG SER A 62 13.922 13.440 -8.557 1.00 31.20 H new ATOM 885 N PRO A 63 11.492 12.598 -3.755 1.00 72.54 N ATOM 886 CA PRO A 63 10.251 12.355 -3.026 1.00 63.10 C ATOM 887 C PRO A 63 9.010 12.617 -3.882 1.00 31.23 C ATOM 888 O PRO A 63 8.003 11.933 -3.711 1.00 13.21 O ATOM 889 CB PRO A 63 10.330 13.214 -1.763 1.00 23.12 C ATOM 890 CG PRO A 63 11.258 14.340 -2.198 1.00 32.52 C ATOM 891 CD PRO A 63 12.281 13.601 -3.063 1.00 24.01 C ATOM 0 HA PRO A 63 10.145 11.305 -2.754 1.00 63.10 H new ATOM 0 HB2 PRO A 63 9.351 13.587 -1.462 1.00 23.12 H new ATOM 0 HB3 PRO A 63 10.733 12.658 -0.917 1.00 23.12 H new ATOM 0 HG2 PRO A 63 10.729 15.109 -2.761 1.00 32.52 H new ATOM 0 HG3 PRO A 63 11.726 14.834 -1.346 1.00 32.52 H new ATOM 0 HD2 PRO A 63 12.774 14.275 -3.764 1.00 24.01 H new ATOM 0 HD3 PRO A 63 13.063 13.145 -2.456 1.00 24.01 H new ATOM 899 N ASN A 64 9.081 13.538 -4.852 1.00 63.10 N ATOM 900 CA ASN A 64 7.941 13.822 -5.711 1.00 62.25 C ATOM 901 C ASN A 64 7.551 12.571 -6.512 1.00 13.32 C ATOM 902 O ASN A 64 6.363 12.310 -6.698 1.00 72.12 O ATOM 903 CB ASN A 64 8.212 15.008 -6.645 1.00 2.03 C ATOM 904 CG ASN A 64 7.045 15.181 -7.604 1.00 11.04 C ATOM 905 OD1 ASN A 64 7.150 14.821 -8.771 1.00 43.12 O ATOM 906 ND2 ASN A 64 5.916 15.679 -7.132 1.00 70.40 N ATOM 0 H ASN A 64 9.913 14.092 -5.055 1.00 63.10 H new ATOM 0 HA ASN A 64 7.104 14.102 -5.071 1.00 62.25 H new ATOM 0 HB2 ASN A 64 8.354 15.918 -6.062 1.00 2.03 H new ATOM 0 HB3 ASN A 64 9.133 14.841 -7.204 1.00 2.03 H new ATOM 0 HD21 ASN A 64 5.105 15.771 -7.743 1.00 70.40 H new ATOM 0 HD22 ASN A 64 5.856 15.971 -6.157 1.00 70.40 H new ATOM 913 N LYS A 65 8.529 11.828 -7.052 1.00 12.43 N ATOM 914 CA LYS A 65 8.232 10.602 -7.796 1.00 73.33 C ATOM 915 C LYS A 65 7.891 9.469 -6.827 1.00 61.42 C ATOM 916 O LYS A 65 7.036 8.647 -7.141 1.00 52.23 O ATOM 917 CB LYS A 65 9.334 10.213 -8.795 1.00 42.11 C ATOM 918 CG LYS A 65 10.732 9.964 -8.212 1.00 31.21 C ATOM 919 CD LYS A 65 11.615 9.114 -9.128 1.00 63.23 C ATOM 920 CE LYS A 65 11.764 9.688 -10.542 1.00 34.25 C ATOM 921 NZ LYS A 65 12.537 8.777 -11.408 1.00 31.31 N ATOM 0 H LYS A 65 9.521 12.054 -6.987 1.00 12.43 H new ATOM 0 HA LYS A 65 7.356 10.799 -8.414 1.00 73.33 H new ATOM 0 HB2 LYS A 65 9.017 9.311 -9.318 1.00 42.11 H new ATOM 0 HB3 LYS A 65 9.412 11.003 -9.542 1.00 42.11 H new ATOM 0 HG2 LYS A 65 11.221 10.921 -8.031 1.00 31.21 H new ATOM 0 HG3 LYS A 65 10.635 9.468 -7.246 1.00 31.21 H new ATOM 0 HD2 LYS A 65 12.603 9.017 -8.678 1.00 63.23 H new ATOM 0 HD3 LYS A 65 11.195 8.110 -9.195 1.00 63.23 H new ATOM 0 HE2 LYS A 65 10.778 9.856 -10.975 1.00 34.25 H new ATOM 0 HE3 LYS A 65 12.261 10.657 -10.494 1.00 34.25 H new ATOM 0 HZ1 LYS A 65 12.579 9.166 -12.372 1.00 31.31 H new ATOM 0 HZ2 LYS A 65 13.502 8.677 -11.033 1.00 31.31 H new ATOM 0 HZ3 LYS A 65 12.076 7.845 -11.431 1.00 31.31 H new ATOM 935 N LEU A 66 8.531 9.431 -5.651 1.00 61.31 N ATOM 936 CA LEU A 66 8.307 8.416 -4.620 1.00 21.21 C ATOM 937 C LEU A 66 6.820 8.394 -4.250 1.00 61.31 C ATOM 938 O LEU A 66 6.195 7.335 -4.211 1.00 12.03 O ATOM 939 CB LEU A 66 9.201 8.735 -3.407 1.00 13.11 C ATOM 940 CG LEU A 66 9.277 7.628 -2.344 1.00 15.54 C ATOM 941 CD1 LEU A 66 9.996 6.381 -2.851 1.00 62.24 C ATOM 942 CD2 LEU A 66 10.049 8.154 -1.131 1.00 44.31 C ATOM 0 H LEU A 66 9.234 10.121 -5.387 1.00 61.31 H new ATOM 0 HA LEU A 66 8.572 7.423 -4.984 1.00 21.21 H new ATOM 0 HB2 LEU A 66 10.209 8.945 -3.764 1.00 13.11 H new ATOM 0 HB3 LEU A 66 8.834 9.646 -2.935 1.00 13.11 H new ATOM 0 HG LEU A 66 8.253 7.355 -2.088 1.00 15.54 H new ATOM 0 HD11 LEU A 66 10.022 5.630 -2.062 1.00 62.24 H new ATOM 0 HD12 LEU A 66 9.465 5.981 -3.715 1.00 62.24 H new ATOM 0 HD13 LEU A 66 11.015 6.640 -3.139 1.00 62.24 H new ATOM 0 HD21 LEU A 66 10.108 7.375 -0.371 1.00 44.31 H new ATOM 0 HD22 LEU A 66 11.056 8.440 -1.436 1.00 44.31 H new ATOM 0 HD23 LEU A 66 9.534 9.023 -0.721 1.00 44.31 H new ATOM 954 N GLN A 67 6.247 9.586 -4.071 1.00 43.10 N ATOM 955 CA GLN A 67 4.855 9.835 -3.737 1.00 3.24 C ATOM 956 C GLN A 67 3.914 9.115 -4.710 1.00 33.12 C ATOM 957 O GLN A 67 2.895 8.581 -4.271 1.00 23.14 O ATOM 958 CB GLN A 67 4.655 11.359 -3.805 1.00 5.44 C ATOM 959 CG GLN A 67 3.223 11.886 -3.644 1.00 1.45 C ATOM 960 CD GLN A 67 3.105 13.256 -4.306 1.00 73.33 C ATOM 961 OE1 GLN A 67 2.848 13.364 -5.502 1.00 11.31 O ATOM 962 NE2 GLN A 67 3.337 14.329 -3.574 1.00 25.04 N ATOM 0 H GLN A 67 6.780 10.451 -4.162 1.00 43.10 H new ATOM 0 HA GLN A 67 4.621 9.453 -2.743 1.00 3.24 H new ATOM 0 HB2 GLN A 67 5.272 11.816 -3.031 1.00 5.44 H new ATOM 0 HB3 GLN A 67 5.037 11.707 -4.764 1.00 5.44 H new ATOM 0 HG2 GLN A 67 2.516 11.190 -4.096 1.00 1.45 H new ATOM 0 HG3 GLN A 67 2.968 11.958 -2.587 1.00 1.45 H new ATOM 0 HE21 GLN A 67 3.550 14.233 -2.581 1.00 25.04 H new ATOM 0 HE22 GLN A 67 3.303 15.255 -4.001 1.00 25.04 H new ATOM 971 N ALA A 68 4.222 9.096 -6.013 1.00 35.13 N ATOM 972 CA ALA A 68 3.382 8.457 -7.020 1.00 63.15 C ATOM 973 C ALA A 68 3.098 6.989 -6.717 1.00 13.22 C ATOM 974 O ALA A 68 1.964 6.553 -6.918 1.00 73.32 O ATOM 975 CB ALA A 68 3.987 8.623 -8.413 1.00 62.32 C ATOM 0 H ALA A 68 5.065 9.526 -6.394 1.00 35.13 H new ATOM 0 HA ALA A 68 2.419 8.966 -6.992 1.00 63.15 H new ATOM 0 HB1 ALA A 68 3.345 8.139 -9.149 1.00 62.32 H new ATOM 0 HB2 ALA A 68 4.073 9.684 -8.648 1.00 62.32 H new ATOM 0 HB3 ALA A 68 4.976 8.165 -8.437 1.00 62.32 H new ATOM 981 N LEU A 69 4.090 6.241 -6.221 1.00 72.13 N ATOM 982 CA LEU A 69 3.904 4.830 -5.890 1.00 63.21 C ATOM 983 C LEU A 69 2.837 4.709 -4.811 1.00 40.42 C ATOM 984 O LEU A 69 1.927 3.897 -4.938 1.00 54.44 O ATOM 985 CB LEU A 69 5.222 4.184 -5.424 1.00 74.33 C ATOM 986 CG LEU A 69 6.261 4.033 -6.549 1.00 13.53 C ATOM 987 CD1 LEU A 69 7.617 3.642 -5.962 1.00 73.32 C ATOM 988 CD2 LEU A 69 5.843 2.969 -7.569 1.00 51.51 C ATOM 0 H LEU A 69 5.030 6.593 -6.041 1.00 72.13 H new ATOM 0 HA LEU A 69 3.582 4.298 -6.785 1.00 63.21 H new ATOM 0 HB2 LEU A 69 5.650 4.787 -4.623 1.00 74.33 H new ATOM 0 HB3 LEU A 69 5.007 3.201 -5.004 1.00 74.33 H new ATOM 0 HG LEU A 69 6.330 4.995 -7.056 1.00 13.53 H new ATOM 0 HD11 LEU A 69 8.345 3.538 -6.766 1.00 73.32 H new ATOM 0 HD12 LEU A 69 7.950 4.415 -5.269 1.00 73.32 H new ATOM 0 HD13 LEU A 69 7.524 2.694 -5.431 1.00 73.32 H new ATOM 0 HD21 LEU A 69 6.603 2.893 -8.347 1.00 51.51 H new ATOM 0 HD22 LEU A 69 5.738 2.006 -7.068 1.00 51.51 H new ATOM 0 HD23 LEU A 69 4.890 3.250 -8.018 1.00 51.51 H new ATOM 1000 N ASN A 70 2.930 5.533 -3.763 1.00 72.52 N ATOM 1001 CA ASN A 70 1.965 5.526 -2.668 1.00 21.34 C ATOM 1002 C ASN A 70 0.560 5.900 -3.165 1.00 31.02 C ATOM 1003 O ASN A 70 -0.412 5.292 -2.719 1.00 14.43 O ATOM 1004 CB ASN A 70 2.453 6.405 -1.501 1.00 5.24 C ATOM 1005 CG ASN A 70 1.481 7.514 -1.119 1.00 42.22 C ATOM 1006 OD1 ASN A 70 0.708 7.377 -0.179 1.00 61.44 O ATOM 1007 ND2 ASN A 70 1.553 8.644 -1.792 1.00 5.40 N ATOM 0 H ASN A 70 3.675 6.221 -3.653 1.00 72.52 H new ATOM 0 HA ASN A 70 1.886 4.512 -2.277 1.00 21.34 H new ATOM 0 HB2 ASN A 70 2.629 5.773 -0.631 1.00 5.24 H new ATOM 0 HB3 ASN A 70 3.411 6.851 -1.770 1.00 5.24 H new ATOM 0 HD21 ASN A 70 0.957 9.430 -1.534 1.00 5.40 H new ATOM 0 HD22 ASN A 70 2.205 8.733 -2.571 1.00 5.40 H new ATOM 1014 N MET A 71 0.445 6.857 -4.096 1.00 63.14 N ATOM 1015 CA MET A 71 -0.852 7.267 -4.633 1.00 24.10 C ATOM 1016 C MET A 71 -1.464 6.086 -5.388 1.00 1.45 C ATOM 1017 O MET A 71 -2.602 5.701 -5.127 1.00 24.35 O ATOM 1018 CB MET A 71 -0.718 8.489 -5.563 1.00 14.15 C ATOM 1019 CG MET A 71 -0.370 9.774 -4.802 1.00 71.21 C ATOM 1020 SD MET A 71 -0.495 11.314 -5.764 1.00 72.22 S ATOM 1021 CE MET A 71 0.909 11.158 -6.901 1.00 35.22 C ATOM 0 H MET A 71 1.239 7.361 -4.491 1.00 63.14 H new ATOM 0 HA MET A 71 -1.501 7.561 -3.808 1.00 24.10 H new ATOM 0 HB2 MET A 71 0.054 8.292 -6.307 1.00 14.15 H new ATOM 0 HB3 MET A 71 -1.653 8.633 -6.104 1.00 14.15 H new ATOM 0 HG2 MET A 71 -1.028 9.852 -3.937 1.00 71.21 H new ATOM 0 HG3 MET A 71 0.648 9.686 -4.421 1.00 71.21 H new ATOM 0 HE1 MET A 71 1.005 12.072 -7.488 1.00 35.22 H new ATOM 0 HE2 MET A 71 1.823 10.995 -6.330 1.00 35.22 H new ATOM 0 HE3 MET A 71 0.744 10.313 -7.570 1.00 35.22 H new ATOM 1031 N ALA A 72 -0.695 5.461 -6.287 1.00 4.45 N ATOM 1032 CA ALA A 72 -1.162 4.322 -7.064 1.00 23.32 C ATOM 1033 C ALA A 72 -1.560 3.166 -6.140 1.00 1.15 C ATOM 1034 O ALA A 72 -2.588 2.522 -6.363 1.00 71.11 O ATOM 1035 CB ALA A 72 -0.073 3.893 -8.051 1.00 51.05 C ATOM 0 H ALA A 72 0.266 5.735 -6.491 1.00 4.45 H new ATOM 0 HA ALA A 72 -2.048 4.611 -7.629 1.00 23.32 H new ATOM 0 HB1 ALA A 72 -0.424 3.040 -8.632 1.00 51.05 H new ATOM 0 HB2 ALA A 72 0.156 4.720 -8.723 1.00 51.05 H new ATOM 0 HB3 ALA A 72 0.826 3.613 -7.502 1.00 51.05 H new ATOM 1041 N PHE A 73 -0.757 2.919 -5.101 1.00 24.21 N ATOM 1042 CA PHE A 73 -0.956 1.878 -4.102 1.00 70.54 C ATOM 1043 C PHE A 73 -2.308 2.055 -3.414 1.00 1.54 C ATOM 1044 O PHE A 73 -3.071 1.093 -3.315 1.00 10.11 O ATOM 1045 CB PHE A 73 0.221 1.897 -3.117 1.00 12.43 C ATOM 1046 CG PHE A 73 0.156 0.931 -1.950 1.00 12.34 C ATOM 1047 CD1 PHE A 73 -0.059 1.415 -0.644 1.00 33.14 C ATOM 1048 CD2 PHE A 73 0.394 -0.441 -2.150 1.00 64.13 C ATOM 1049 CE1 PHE A 73 -0.017 0.535 0.454 1.00 41.11 C ATOM 1050 CE2 PHE A 73 0.476 -1.312 -1.049 1.00 4.45 C ATOM 1051 CZ PHE A 73 0.265 -0.827 0.253 1.00 71.41 C ATOM 0 H PHE A 73 0.086 3.467 -4.930 1.00 24.21 H new ATOM 0 HA PHE A 73 -0.977 0.896 -4.575 1.00 70.54 H new ATOM 0 HB2 PHE A 73 1.134 1.692 -3.676 1.00 12.43 H new ATOM 0 HB3 PHE A 73 0.312 2.907 -2.717 1.00 12.43 H new ATOM 0 HD1 PHE A 73 -0.257 2.465 -0.485 1.00 33.14 H new ATOM 0 HD2 PHE A 73 0.514 -0.826 -3.152 1.00 64.13 H new ATOM 0 HE1 PHE A 73 -0.202 0.907 1.451 1.00 41.11 H new ATOM 0 HE2 PHE A 73 0.702 -2.357 -1.204 1.00 4.45 H new ATOM 0 HZ PHE A 73 0.319 -1.499 1.097 1.00 71.41 H new ATOM 1061 N ALA A 74 -2.613 3.271 -2.949 1.00 12.24 N ATOM 1062 CA ALA A 74 -3.867 3.573 -2.271 1.00 2.50 C ATOM 1063 C ALA A 74 -5.063 3.597 -3.230 1.00 62.41 C ATOM 1064 O ALA A 74 -6.148 3.135 -2.880 1.00 34.43 O ATOM 1065 CB ALA A 74 -3.742 4.910 -1.540 1.00 21.43 C ATOM 0 H ALA A 74 -1.990 4.074 -3.035 1.00 12.24 H new ATOM 0 HA ALA A 74 -4.057 2.774 -1.554 1.00 2.50 H new ATOM 0 HB1 ALA A 74 -4.680 5.136 -1.033 1.00 21.43 H new ATOM 0 HB2 ALA A 74 -2.938 4.850 -0.807 1.00 21.43 H new ATOM 0 HB3 ALA A 74 -3.519 5.698 -2.259 1.00 21.43 H new ATOM 1071 N SER A 75 -4.871 4.088 -4.450 1.00 1.51 N ATOM 1072 CA SER A 75 -5.906 4.187 -5.465 1.00 22.12 C ATOM 1073 C SER A 75 -6.487 2.815 -5.830 1.00 12.40 C ATOM 1074 O SER A 75 -7.708 2.637 -5.837 1.00 4.11 O ATOM 1075 CB SER A 75 -5.286 4.890 -6.680 1.00 2.22 C ATOM 1076 OG SER A 75 -6.234 5.116 -7.698 1.00 74.30 O ATOM 0 H SER A 75 -3.966 4.437 -4.765 1.00 1.51 H new ATOM 0 HA SER A 75 -6.750 4.764 -5.086 1.00 22.12 H new ATOM 0 HB2 SER A 75 -4.855 5.841 -6.368 1.00 2.22 H new ATOM 0 HB3 SER A 75 -4.470 4.284 -7.073 1.00 2.22 H new ATOM 0 HG SER A 75 -6.883 5.786 -7.398 1.00 74.30 H new ATOM 1082 N SER A 76 -5.640 1.819 -6.101 1.00 5.14 N ATOM 1083 CA SER A 76 -6.121 0.496 -6.488 1.00 64.15 C ATOM 1084 C SER A 76 -6.855 -0.207 -5.346 1.00 23.52 C ATOM 1085 O SER A 76 -7.697 -1.073 -5.596 1.00 5.11 O ATOM 1086 CB SER A 76 -4.963 -0.333 -7.048 1.00 54.20 C ATOM 1087 OG SER A 76 -4.359 0.375 -8.116 1.00 64.40 O ATOM 0 H SER A 76 -4.624 1.905 -6.059 1.00 5.14 H new ATOM 0 HA SER A 76 -6.862 0.613 -7.278 1.00 64.15 H new ATOM 0 HB2 SER A 76 -4.230 -0.531 -6.266 1.00 54.20 H new ATOM 0 HB3 SER A 76 -5.327 -1.300 -7.396 1.00 54.20 H new ATOM 0 HG SER A 76 -3.779 1.078 -7.756 1.00 64.40 H new ATOM 1093 N LEU A 77 -6.536 0.125 -4.089 1.00 54.51 N ATOM 1094 CA LEU A 77 -7.205 -0.470 -2.938 1.00 1.50 C ATOM 1095 C LEU A 77 -8.675 -0.065 -2.998 1.00 34.41 C ATOM 1096 O LEU A 77 -9.560 -0.919 -2.927 1.00 31.25 O ATOM 1097 CB LEU A 77 -6.603 0.045 -1.619 1.00 35.42 C ATOM 1098 CG LEU A 77 -5.237 -0.529 -1.236 1.00 54.25 C ATOM 1099 CD1 LEU A 77 -4.666 0.206 -0.018 1.00 45.14 C ATOM 1100 CD2 LEU A 77 -5.298 -2.019 -0.921 1.00 70.40 C ATOM 0 H LEU A 77 -5.815 0.806 -3.848 1.00 54.51 H new ATOM 0 HA LEU A 77 -7.083 -1.553 -2.969 1.00 1.50 H new ATOM 0 HB2 LEU A 77 -6.515 1.130 -1.682 1.00 35.42 H new ATOM 0 HB3 LEU A 77 -7.305 -0.171 -0.813 1.00 35.42 H new ATOM 0 HG LEU A 77 -4.591 -0.387 -2.102 1.00 54.25 H new ATOM 0 HD11 LEU A 77 -3.695 -0.216 0.239 1.00 45.14 H new ATOM 0 HD12 LEU A 77 -4.551 1.264 -0.253 1.00 45.14 H new ATOM 0 HD13 LEU A 77 -5.346 0.093 0.827 1.00 45.14 H new ATOM 0 HD21 LEU A 77 -4.303 -2.376 -0.655 1.00 70.40 H new ATOM 0 HD22 LEU A 77 -5.978 -2.187 -0.086 1.00 70.40 H new ATOM 0 HD23 LEU A 77 -5.656 -2.561 -1.796 1.00 70.40 H new ATOM 1112 N ALA A 78 -8.914 1.242 -3.123 1.00 1.10 N ATOM 1113 CA ALA A 78 -10.236 1.837 -3.185 1.00 34.42 C ATOM 1114 C ALA A 78 -11.019 1.342 -4.393 1.00 43.53 C ATOM 1115 O ALA A 78 -12.218 1.113 -4.278 1.00 1.32 O ATOM 1116 CB ALA A 78 -10.082 3.350 -3.245 1.00 71.43 C ATOM 0 H ALA A 78 -8.164 1.931 -3.185 1.00 1.10 H new ATOM 0 HA ALA A 78 -10.796 1.546 -2.296 1.00 34.42 H new ATOM 0 HB1 ALA A 78 -11.067 3.814 -3.292 1.00 71.43 H new ATOM 0 HB2 ALA A 78 -9.559 3.698 -2.354 1.00 71.43 H new ATOM 0 HB3 ALA A 78 -9.510 3.623 -4.132 1.00 71.43 H new ATOM 1122 N GLU A 79 -10.346 1.139 -5.524 1.00 24.24 N ATOM 1123 CA GLU A 79 -10.970 0.670 -6.749 1.00 0.14 C ATOM 1124 C GLU A 79 -11.685 -0.665 -6.509 1.00 51.22 C ATOM 1125 O GLU A 79 -12.892 -0.759 -6.739 1.00 25.44 O ATOM 1126 CB GLU A 79 -9.885 0.600 -7.826 1.00 24.31 C ATOM 1127 CG GLU A 79 -10.397 0.168 -9.199 1.00 51.14 C ATOM 1128 CD GLU A 79 -9.330 0.468 -10.249 1.00 73.52 C ATOM 1129 OE1 GLU A 79 -8.225 -0.122 -10.189 1.00 41.30 O ATOM 1130 OE2 GLU A 79 -9.558 1.373 -11.081 1.00 65.10 O ATOM 0 H GLU A 79 -9.342 1.299 -5.611 1.00 24.24 H new ATOM 0 HA GLU A 79 -11.746 1.355 -7.091 1.00 0.14 H new ATOM 0 HB2 GLU A 79 -9.415 1.579 -7.917 1.00 24.31 H new ATOM 0 HB3 GLU A 79 -9.111 -0.097 -7.503 1.00 24.31 H new ATOM 0 HG2 GLU A 79 -10.631 -0.897 -9.195 1.00 51.14 H new ATOM 0 HG3 GLU A 79 -11.320 0.696 -9.439 1.00 51.14 H new ATOM 1137 N ILE A 80 -10.976 -1.668 -5.977 1.00 55.55 N ATOM 1138 CA ILE A 80 -11.558 -2.982 -5.699 1.00 53.15 C ATOM 1139 C ILE A 80 -12.562 -2.856 -4.540 1.00 33.32 C ATOM 1140 O ILE A 80 -13.612 -3.504 -4.567 1.00 52.43 O ATOM 1141 CB ILE A 80 -10.444 -4.018 -5.408 1.00 75.22 C ATOM 1142 CG1 ILE A 80 -9.379 -4.133 -6.529 1.00 25.51 C ATOM 1143 CG2 ILE A 80 -11.018 -5.416 -5.098 1.00 3.43 C ATOM 1144 CD1 ILE A 80 -9.842 -4.798 -7.831 1.00 41.35 C ATOM 0 H ILE A 80 -9.990 -1.591 -5.729 1.00 55.55 H new ATOM 0 HA ILE A 80 -12.099 -3.344 -6.574 1.00 53.15 H new ATOM 0 HB ILE A 80 -9.940 -3.630 -4.523 1.00 75.22 H new ATOM 0 HG12 ILE A 80 -9.018 -3.132 -6.764 1.00 25.51 H new ATOM 0 HG13 ILE A 80 -8.530 -4.694 -6.140 1.00 25.51 H new ATOM 0 HG21 ILE A 80 -10.200 -6.109 -4.900 1.00 3.43 H new ATOM 0 HG22 ILE A 80 -11.664 -5.358 -4.222 1.00 3.43 H new ATOM 0 HG23 ILE A 80 -11.595 -5.770 -5.952 1.00 3.43 H new ATOM 0 HD11 ILE A 80 -9.015 -4.823 -8.541 1.00 41.35 H new ATOM 0 HD12 ILE A 80 -10.172 -5.816 -7.622 1.00 41.35 H new ATOM 0 HD13 ILE A 80 -10.668 -4.229 -8.257 1.00 41.35 H new ATOM 1156 N ALA A 81 -12.274 -2.024 -3.526 1.00 53.30 N ATOM 1157 CA ALA A 81 -13.150 -1.809 -2.371 1.00 75.43 C ATOM 1158 C ALA A 81 -14.536 -1.339 -2.826 1.00 3.40 C ATOM 1159 O ALA A 81 -15.547 -1.836 -2.336 1.00 65.04 O ATOM 1160 CB ALA A 81 -12.584 -0.713 -1.457 1.00 23.23 C ATOM 0 H ALA A 81 -11.414 -1.476 -3.488 1.00 53.30 H new ATOM 0 HA ALA A 81 -13.217 -2.758 -1.839 1.00 75.43 H new ATOM 0 HB1 ALA A 81 -13.250 -0.569 -0.606 1.00 23.23 H new ATOM 0 HB2 ALA A 81 -11.598 -1.010 -1.100 1.00 23.23 H new ATOM 0 HB3 ALA A 81 -12.502 0.220 -2.015 1.00 23.23 H new ATOM 1166 N ALA A 82 -14.576 -0.442 -3.817 1.00 75.02 N ATOM 1167 CA ALA A 82 -15.799 0.140 -4.345 1.00 55.01 C ATOM 1168 C ALA A 82 -16.546 -0.839 -5.260 1.00 35.03 C ATOM 1169 O ALA A 82 -17.738 -0.641 -5.515 1.00 62.01 O ATOM 1170 CB ALA A 82 -15.427 1.416 -5.111 1.00 22.21 C ATOM 0 H ALA A 82 -13.735 -0.097 -4.280 1.00 75.02 H new ATOM 0 HA ALA A 82 -16.472 0.373 -3.520 1.00 55.01 H new ATOM 0 HB1 ALA A 82 -16.329 1.872 -5.518 1.00 22.21 H new ATOM 0 HB2 ALA A 82 -14.939 2.117 -4.434 1.00 22.21 H new ATOM 0 HB3 ALA A 82 -14.748 1.166 -5.926 1.00 22.21 H new ATOM 1176 N SER A 83 -15.877 -1.878 -5.767 1.00 24.25 N ATOM 1177 CA SER A 83 -16.500 -2.897 -6.607 1.00 65.32 C ATOM 1178 C SER A 83 -17.281 -3.874 -5.699 1.00 64.35 C ATOM 1179 O SER A 83 -18.148 -4.620 -6.161 1.00 30.51 O ATOM 1180 CB SER A 83 -15.405 -3.603 -7.422 1.00 64.24 C ATOM 1181 OG SER A 83 -15.935 -4.197 -8.590 1.00 34.05 O ATOM 0 H SER A 83 -14.882 -2.034 -5.604 1.00 24.25 H new ATOM 0 HA SER A 83 -17.206 -2.458 -7.312 1.00 65.32 H new ATOM 0 HB2 SER A 83 -14.632 -2.884 -7.696 1.00 64.24 H new ATOM 0 HB3 SER A 83 -14.927 -4.367 -6.808 1.00 64.24 H new ATOM 0 HG SER A 83 -15.215 -4.637 -9.089 1.00 34.05 H new ATOM 1187 N GLU A 84 -16.982 -3.850 -4.391 1.00 54.44 N ATOM 1188 CA GLU A 84 -17.548 -4.635 -3.297 1.00 11.41 C ATOM 1189 C GLU A 84 -17.272 -6.136 -3.390 1.00 43.24 C ATOM 1190 O GLU A 84 -17.724 -6.906 -2.535 1.00 63.42 O ATOM 1191 CB GLU A 84 -19.023 -4.279 -3.049 1.00 64.35 C ATOM 1192 CG GLU A 84 -19.135 -2.788 -2.718 1.00 14.23 C ATOM 1193 CD GLU A 84 -20.528 -2.407 -2.223 1.00 64.42 C ATOM 1194 OE1 GLU A 84 -21.512 -2.590 -2.976 1.00 73.20 O ATOM 1195 OE2 GLU A 84 -20.646 -1.908 -1.085 1.00 44.33 O ATOM 0 H GLU A 84 -16.264 -3.214 -4.045 1.00 54.44 H new ATOM 0 HA GLU A 84 -17.006 -4.340 -2.399 1.00 11.41 H new ATOM 0 HB2 GLU A 84 -19.619 -4.513 -3.931 1.00 64.35 H new ATOM 0 HB3 GLU A 84 -19.420 -4.876 -2.228 1.00 64.35 H new ATOM 0 HG2 GLU A 84 -18.399 -2.531 -1.957 1.00 14.23 H new ATOM 0 HG3 GLU A 84 -18.894 -2.202 -3.605 1.00 14.23 H new ATOM 1202 N GLU A 85 -16.508 -6.563 -4.392 1.00 73.24 N ATOM 1203 CA GLU A 85 -16.151 -7.962 -4.561 1.00 34.40 C ATOM 1204 C GLU A 85 -15.155 -8.310 -3.459 1.00 30.02 C ATOM 1205 O GLU A 85 -14.045 -7.774 -3.429 1.00 34.32 O ATOM 1206 CB GLU A 85 -15.597 -8.271 -5.962 1.00 24.44 C ATOM 1207 CG GLU A 85 -16.702 -8.612 -6.971 1.00 65.43 C ATOM 1208 CD GLU A 85 -17.510 -9.834 -6.520 1.00 25.12 C ATOM 1209 OE1 GLU A 85 -18.580 -9.642 -5.888 1.00 3.44 O ATOM 1210 OE2 GLU A 85 -17.064 -10.988 -6.719 1.00 1.10 O ATOM 0 H GLU A 85 -16.121 -5.947 -5.107 1.00 73.24 H new ATOM 0 HA GLU A 85 -17.043 -8.582 -4.477 1.00 34.40 H new ATOM 0 HB2 GLU A 85 -15.033 -7.411 -6.323 1.00 24.44 H new ATOM 0 HB3 GLU A 85 -14.899 -9.106 -5.897 1.00 24.44 H new ATOM 0 HG2 GLU A 85 -17.367 -7.756 -7.088 1.00 65.43 H new ATOM 0 HG3 GLU A 85 -16.258 -8.807 -7.947 1.00 65.43 H new ATOM 1217 N GLY A 86 -15.585 -9.135 -2.505 1.00 44.43 N ATOM 1218 CA GLY A 86 -14.783 -9.573 -1.372 1.00 33.01 C ATOM 1219 C GLY A 86 -15.546 -9.550 -0.047 1.00 4.11 C ATOM 1220 O GLY A 86 -15.067 -10.111 0.936 1.00 44.23 O ATOM 0 H GLY A 86 -16.527 -9.526 -2.502 1.00 44.43 H new ATOM 0 HA2 GLY A 86 -14.424 -10.585 -1.559 1.00 33.01 H new ATOM 0 HA3 GLY A 86 -13.904 -8.933 -1.289 1.00 33.01 H new ATOM 1224 N GLY A 87 -16.732 -8.941 0.000 1.00 50.31 N ATOM 1225 CA GLY A 87 -17.540 -8.871 1.212 1.00 1.12 C ATOM 1226 C GLY A 87 -17.066 -7.799 2.197 1.00 71.50 C ATOM 1227 O GLY A 87 -15.990 -7.213 2.045 1.00 61.54 O ATOM 0 H GLY A 87 -17.158 -8.482 -0.805 1.00 50.31 H new ATOM 0 HA2 GLY A 87 -18.576 -8.670 0.938 1.00 1.12 H new ATOM 0 HA3 GLY A 87 -17.524 -9.842 1.707 1.00 1.12 H new ATOM 1231 N GLY A 88 -17.875 -7.573 3.234 1.00 51.30 N ATOM 1232 CA GLY A 88 -17.628 -6.574 4.272 1.00 31.02 C ATOM 1233 C GLY A 88 -17.984 -5.176 3.750 1.00 4.15 C ATOM 1234 O GLY A 88 -18.342 -5.019 2.582 1.00 40.11 O ATOM 0 H GLY A 88 -18.741 -8.093 3.377 1.00 51.30 H new ATOM 0 HA2 GLY A 88 -18.222 -6.803 5.157 1.00 31.02 H new ATOM 0 HA3 GLY A 88 -16.581 -6.603 4.574 1.00 31.02 H new ATOM 1238 N SER A 89 -17.975 -4.155 4.608 1.00 20.33 N ATOM 1239 CA SER A 89 -18.282 -2.787 4.198 1.00 55.11 C ATOM 1240 C SER A 89 -17.009 -2.079 3.722 1.00 11.22 C ATOM 1241 O SER A 89 -15.899 -2.528 4.014 1.00 3.32 O ATOM 1242 CB SER A 89 -18.864 -2.009 5.383 1.00 64.42 C ATOM 1243 OG SER A 89 -20.039 -2.608 5.909 1.00 11.24 O ATOM 0 H SER A 89 -17.756 -4.253 5.599 1.00 20.33 H new ATOM 0 HA SER A 89 -19.006 -2.823 3.384 1.00 55.11 H new ATOM 0 HB2 SER A 89 -18.113 -1.939 6.170 1.00 64.42 H new ATOM 0 HB3 SER A 89 -19.091 -0.991 5.067 1.00 64.42 H new ATOM 0 HG SER A 89 -20.369 -2.075 6.662 1.00 11.24 H new ATOM 1249 N LEU A 90 -17.159 -0.903 3.097 1.00 25.12 N ATOM 1250 CA LEU A 90 -16.040 -0.090 2.604 1.00 75.51 C ATOM 1251 C LEU A 90 -15.081 0.212 3.765 1.00 21.55 C ATOM 1252 O LEU A 90 -13.866 0.202 3.593 1.00 32.33 O ATOM 1253 CB LEU A 90 -16.574 1.216 1.972 1.00 21.52 C ATOM 1254 CG LEU A 90 -16.161 1.457 0.505 1.00 43.05 C ATOM 1255 CD1 LEU A 90 -16.847 0.500 -0.456 1.00 34.22 C ATOM 1256 CD2 LEU A 90 -16.538 2.888 0.110 1.00 53.14 C ATOM 0 H LEU A 90 -18.072 -0.485 2.918 1.00 25.12 H new ATOM 0 HA LEU A 90 -15.496 -0.639 1.835 1.00 75.51 H new ATOM 0 HB2 LEU A 90 -17.662 1.209 2.029 1.00 21.52 H new ATOM 0 HB3 LEU A 90 -16.229 2.058 2.572 1.00 21.52 H new ATOM 0 HG LEU A 90 -15.086 1.292 0.438 1.00 43.05 H new ATOM 0 HD11 LEU A 90 -16.522 0.712 -1.475 1.00 34.22 H new ATOM 0 HD12 LEU A 90 -16.584 -0.526 -0.197 1.00 34.22 H new ATOM 0 HD13 LEU A 90 -17.927 0.627 -0.386 1.00 34.22 H new ATOM 0 HD21 LEU A 90 -16.250 3.067 -0.926 1.00 53.14 H new ATOM 0 HD22 LEU A 90 -17.614 3.023 0.216 1.00 53.14 H new ATOM 0 HD23 LEU A 90 -16.018 3.593 0.759 1.00 53.14 H new ATOM 1268 N SER A 91 -15.628 0.477 4.954 1.00 5.41 N ATOM 1269 CA SER A 91 -14.891 0.762 6.178 1.00 11.23 C ATOM 1270 C SER A 91 -14.148 -0.489 6.649 1.00 64.14 C ATOM 1271 O SER A 91 -12.991 -0.425 7.063 1.00 55.03 O ATOM 1272 CB SER A 91 -15.890 1.226 7.240 1.00 40.43 C ATOM 1273 OG SER A 91 -17.069 0.441 7.193 1.00 33.13 O ATOM 0 H SER A 91 -16.639 0.499 5.091 1.00 5.41 H new ATOM 0 HA SER A 91 -14.151 1.543 6.000 1.00 11.23 H new ATOM 0 HB2 SER A 91 -15.438 1.153 8.229 1.00 40.43 H new ATOM 0 HB3 SER A 91 -16.139 2.275 7.079 1.00 40.43 H new ATOM 0 HG SER A 91 -17.696 0.751 7.880 1.00 33.13 H new ATOM 1279 N THR A 92 -14.814 -1.643 6.597 1.00 24.24 N ATOM 1280 CA THR A 92 -14.248 -2.926 6.978 1.00 53.35 C ATOM 1281 C THR A 92 -13.023 -3.171 6.092 1.00 51.15 C ATOM 1282 O THR A 92 -11.955 -3.534 6.581 1.00 71.20 O ATOM 1283 CB THR A 92 -15.314 -4.013 6.789 1.00 74.14 C ATOM 1284 OG1 THR A 92 -16.606 -3.576 7.179 1.00 14.12 O ATOM 1285 CG2 THR A 92 -14.976 -5.268 7.568 1.00 52.11 C ATOM 0 H THR A 92 -15.782 -1.707 6.281 1.00 24.24 H new ATOM 0 HA THR A 92 -13.939 -2.942 8.023 1.00 53.35 H new ATOM 0 HB THR A 92 -15.322 -4.233 5.722 1.00 74.14 H new ATOM 0 HG1 THR A 92 -17.127 -4.341 7.499 1.00 14.12 H new ATOM 0 HG21 THR A 92 -15.754 -6.015 7.410 1.00 52.11 H new ATOM 0 HG22 THR A 92 -14.019 -5.662 7.226 1.00 52.11 H new ATOM 0 HG23 THR A 92 -14.912 -5.031 8.630 1.00 52.11 H new ATOM 1293 N LYS A 93 -13.165 -2.890 4.793 1.00 52.04 N ATOM 1294 CA LYS A 93 -12.127 -3.027 3.784 1.00 41.15 C ATOM 1295 C LYS A 93 -10.910 -2.201 4.212 1.00 44.14 C ATOM 1296 O LYS A 93 -9.837 -2.782 4.377 1.00 21.20 O ATOM 1297 CB LYS A 93 -12.682 -2.553 2.423 1.00 25.51 C ATOM 1298 CG LYS A 93 -12.024 -3.200 1.194 1.00 35.04 C ATOM 1299 CD LYS A 93 -12.636 -4.512 0.682 1.00 43.54 C ATOM 1300 CE LYS A 93 -14.164 -4.510 0.576 1.00 53.51 C ATOM 1301 NZ LYS A 93 -14.700 -5.785 0.068 1.00 41.52 N ATOM 0 H LYS A 93 -14.045 -2.547 4.407 1.00 52.04 H new ATOM 0 HA LYS A 93 -11.819 -4.067 3.682 1.00 41.15 H new ATOM 0 HB2 LYS A 93 -13.752 -2.757 2.393 1.00 25.51 H new ATOM 0 HB3 LYS A 93 -12.561 -1.472 2.355 1.00 25.51 H new ATOM 0 HG2 LYS A 93 -12.045 -2.476 0.379 1.00 35.04 H new ATOM 0 HG3 LYS A 93 -10.976 -3.385 1.430 1.00 35.04 H new ATOM 0 HD2 LYS A 93 -12.218 -4.732 -0.300 1.00 43.54 H new ATOM 0 HD3 LYS A 93 -12.333 -5.321 1.346 1.00 43.54 H new ATOM 0 HE2 LYS A 93 -14.592 -4.306 1.557 1.00 53.51 H new ATOM 0 HE3 LYS A 93 -14.477 -3.700 -0.083 1.00 53.51 H new ATOM 0 HZ1 LYS A 93 -15.138 -5.631 -0.863 1.00 41.52 H new ATOM 0 HZ2 LYS A 93 -13.927 -6.475 -0.023 1.00 41.52 H new ATOM 0 HZ3 LYS A 93 -15.414 -6.150 0.731 1.00 41.52 H new ATOM 1315 N THR A 94 -11.059 -0.894 4.473 1.00 42.41 N ATOM 1316 CA THR A 94 -9.934 -0.046 4.878 1.00 63.14 C ATOM 1317 C THR A 94 -9.291 -0.554 6.170 1.00 13.15 C ATOM 1318 O THR A 94 -8.066 -0.650 6.260 1.00 74.41 O ATOM 1319 CB THR A 94 -10.336 1.441 4.936 1.00 71.52 C ATOM 1320 OG1 THR A 94 -11.376 1.706 5.851 1.00 43.20 O ATOM 1321 CG2 THR A 94 -10.776 1.936 3.558 1.00 72.22 C ATOM 0 H THR A 94 -11.951 -0.403 4.410 1.00 42.41 H new ATOM 0 HA THR A 94 -9.163 -0.115 4.110 1.00 63.14 H new ATOM 0 HB THR A 94 -9.445 1.969 5.274 1.00 71.52 H new ATOM 0 HG1 THR A 94 -11.776 0.861 6.145 1.00 43.20 H new ATOM 0 HG21 THR A 94 -11.055 2.988 3.621 1.00 72.22 H new ATOM 0 HG22 THR A 94 -9.955 1.821 2.851 1.00 72.22 H new ATOM 0 HG23 THR A 94 -11.632 1.353 3.218 1.00 72.22 H new ATOM 1329 N SER A 95 -10.112 -0.947 7.141 1.00 22.32 N ATOM 1330 CA SER A 95 -9.659 -1.458 8.419 1.00 42.35 C ATOM 1331 C SER A 95 -8.810 -2.718 8.206 1.00 31.04 C ATOM 1332 O SER A 95 -7.733 -2.823 8.786 1.00 22.42 O ATOM 1333 CB SER A 95 -10.910 -1.693 9.272 1.00 11.53 C ATOM 1334 OG SER A 95 -10.653 -1.928 10.640 1.00 34.14 O ATOM 0 H SER A 95 -11.128 -0.916 7.054 1.00 22.32 H new ATOM 0 HA SER A 95 -9.010 -0.756 8.943 1.00 42.35 H new ATOM 0 HB2 SER A 95 -11.563 -0.825 9.182 1.00 11.53 H new ATOM 0 HB3 SER A 95 -11.455 -2.545 8.867 1.00 11.53 H new ATOM 0 HG SER A 95 -11.500 -2.066 11.113 1.00 34.14 H new ATOM 1340 N SER A 96 -9.236 -3.647 7.339 1.00 53.31 N ATOM 1341 CA SER A 96 -8.520 -4.891 7.072 1.00 34.55 C ATOM 1342 C SER A 96 -7.106 -4.636 6.559 1.00 51.52 C ATOM 1343 O SER A 96 -6.172 -5.330 6.956 1.00 3.10 O ATOM 1344 CB SER A 96 -9.338 -5.778 6.123 1.00 12.23 C ATOM 1345 OG SER A 96 -9.318 -5.340 4.775 1.00 31.44 O ATOM 0 H SER A 96 -10.097 -3.550 6.800 1.00 53.31 H new ATOM 0 HA SER A 96 -8.402 -5.429 8.013 1.00 34.55 H new ATOM 0 HB2 SER A 96 -8.954 -6.797 6.170 1.00 12.23 H new ATOM 0 HB3 SER A 96 -10.371 -5.810 6.470 1.00 12.23 H new ATOM 0 HG SER A 96 -9.283 -4.361 4.750 1.00 31.44 H new ATOM 1351 N ILE A 97 -6.942 -3.621 5.707 1.00 71.42 N ATOM 1352 CA ILE A 97 -5.662 -3.238 5.135 1.00 40.21 C ATOM 1353 C ILE A 97 -4.761 -2.787 6.272 1.00 12.33 C ATOM 1354 O ILE A 97 -3.649 -3.297 6.399 1.00 55.15 O ATOM 1355 CB ILE A 97 -5.877 -2.135 4.081 1.00 74.43 C ATOM 1356 CG1 ILE A 97 -6.546 -2.765 2.846 1.00 24.51 C ATOM 1357 CG2 ILE A 97 -4.581 -1.410 3.700 1.00 70.14 C ATOM 1358 CD1 ILE A 97 -7.535 -1.816 2.165 1.00 33.02 C ATOM 0 H ILE A 97 -7.715 -3.034 5.393 1.00 71.42 H new ATOM 0 HA ILE A 97 -5.185 -4.074 4.624 1.00 40.21 H new ATOM 0 HB ILE A 97 -6.523 -1.370 4.511 1.00 74.43 H new ATOM 0 HG12 ILE A 97 -5.778 -3.058 2.131 1.00 24.51 H new ATOM 0 HG13 ILE A 97 -7.067 -3.675 3.144 1.00 24.51 H new ATOM 0 HG21 ILE A 97 -4.798 -0.645 2.954 1.00 70.14 H new ATOM 0 HG22 ILE A 97 -4.152 -0.942 4.586 1.00 70.14 H new ATOM 0 HG23 ILE A 97 -3.871 -2.127 3.288 1.00 70.14 H new ATOM 0 HD11 ILE A 97 -7.978 -2.311 1.300 1.00 33.02 H new ATOM 0 HD12 ILE A 97 -8.321 -1.543 2.869 1.00 33.02 H new ATOM 0 HD13 ILE A 97 -7.011 -0.917 1.840 1.00 33.02 H new ATOM 1370 N ALA A 98 -5.232 -1.854 7.107 1.00 64.10 N ATOM 1371 CA ALA A 98 -4.438 -1.360 8.219 1.00 54.30 C ATOM 1372 C ALA A 98 -4.029 -2.506 9.145 1.00 2.02 C ATOM 1373 O ALA A 98 -2.885 -2.560 9.601 1.00 72.05 O ATOM 1374 CB ALA A 98 -5.201 -0.273 8.972 1.00 3.03 C ATOM 0 H ALA A 98 -6.157 -1.432 7.028 1.00 64.10 H new ATOM 0 HA ALA A 98 -3.523 -0.916 7.827 1.00 54.30 H new ATOM 0 HB1 ALA A 98 -4.595 0.088 9.803 1.00 3.03 H new ATOM 0 HB2 ALA A 98 -5.419 0.553 8.296 1.00 3.03 H new ATOM 0 HB3 ALA A 98 -6.135 -0.684 9.356 1.00 3.03 H new ATOM 1380 N SER A 99 -4.949 -3.437 9.399 1.00 1.11 N ATOM 1381 CA SER A 99 -4.695 -4.585 10.248 1.00 61.33 C ATOM 1382 C SER A 99 -3.633 -5.503 9.630 1.00 32.34 C ATOM 1383 O SER A 99 -2.740 -5.968 10.346 1.00 51.22 O ATOM 1384 CB SER A 99 -5.991 -5.372 10.446 1.00 74.25 C ATOM 1385 OG SER A 99 -7.048 -4.575 10.941 1.00 20.43 O ATOM 0 H SER A 99 -5.894 -3.409 9.016 1.00 1.11 H new ATOM 0 HA SER A 99 -4.326 -4.225 11.208 1.00 61.33 H new ATOM 0 HB2 SER A 99 -6.290 -5.814 9.496 1.00 74.25 H new ATOM 0 HB3 SER A 99 -5.809 -6.195 11.137 1.00 74.25 H new ATOM 0 HG SER A 99 -7.355 -3.966 10.238 1.00 20.43 H new ATOM 1391 N ALA A 100 -3.734 -5.778 8.324 1.00 4.21 N ATOM 1392 CA ALA A 100 -2.799 -6.643 7.624 1.00 41.22 C ATOM 1393 C ALA A 100 -1.428 -5.981 7.538 1.00 44.32 C ATOM 1394 O ALA A 100 -0.418 -6.668 7.645 1.00 31.11 O ATOM 1395 CB ALA A 100 -3.350 -6.987 6.236 1.00 32.32 C ATOM 0 H ALA A 100 -4.472 -5.402 7.728 1.00 4.21 H new ATOM 0 HA ALA A 100 -2.679 -7.573 8.179 1.00 41.22 H new ATOM 0 HB1 ALA A 100 -2.645 -7.636 5.715 1.00 32.32 H new ATOM 0 HB2 ALA A 100 -4.306 -7.500 6.341 1.00 32.32 H new ATOM 0 HB3 ALA A 100 -3.491 -6.070 5.663 1.00 32.32 H new ATOM 1401 N LEU A 101 -1.374 -4.657 7.368 1.00 55.30 N ATOM 1402 CA LEU A 101 -0.133 -3.898 7.279 1.00 31.32 C ATOM 1403 C LEU A 101 0.653 -4.041 8.568 1.00 1.52 C ATOM 1404 O LEU A 101 1.850 -4.312 8.509 1.00 40.41 O ATOM 1405 CB LEU A 101 -0.403 -2.407 7.014 1.00 42.23 C ATOM 1406 CG LEU A 101 -0.700 -2.129 5.535 1.00 31.44 C ATOM 1407 CD1 LEU A 101 -1.435 -0.804 5.355 1.00 43.43 C ATOM 1408 CD2 LEU A 101 0.571 -2.057 4.701 1.00 14.23 C ATOM 0 H LEU A 101 -2.209 -4.076 7.287 1.00 55.30 H new ATOM 0 HA LEU A 101 0.442 -4.298 6.444 1.00 31.32 H new ATOM 0 HB2 LEU A 101 -1.247 -2.078 7.621 1.00 42.23 H new ATOM 0 HB3 LEU A 101 0.462 -1.821 7.326 1.00 42.23 H new ATOM 0 HG LEU A 101 -1.319 -2.960 5.197 1.00 31.44 H new ATOM 0 HD11 LEU A 101 -1.630 -0.637 4.296 1.00 43.43 H new ATOM 0 HD12 LEU A 101 -2.380 -0.835 5.898 1.00 43.43 H new ATOM 0 HD13 LEU A 101 -0.821 0.008 5.743 1.00 43.43 H new ATOM 0 HD21 LEU A 101 0.313 -1.859 3.661 1.00 14.23 H new ATOM 0 HD22 LEU A 101 1.207 -1.256 5.076 1.00 14.23 H new ATOM 0 HD23 LEU A 101 1.104 -3.005 4.768 1.00 14.23 H new ATOM 1420 N SER A 102 0.015 -3.853 9.727 1.00 2.32 N ATOM 1421 CA SER A 102 0.751 -3.973 10.978 1.00 13.34 C ATOM 1422 C SER A 102 1.262 -5.404 11.168 1.00 31.13 C ATOM 1423 O SER A 102 2.410 -5.581 11.576 1.00 12.01 O ATOM 1424 CB SER A 102 -0.073 -3.432 12.150 1.00 41.15 C ATOM 1425 OG SER A 102 -1.376 -3.970 12.209 1.00 15.10 O ATOM 0 H SER A 102 -0.975 -3.625 9.821 1.00 2.32 H new ATOM 0 HA SER A 102 1.642 -3.347 10.940 1.00 13.34 H new ATOM 0 HB2 SER A 102 0.446 -3.652 13.083 1.00 41.15 H new ATOM 0 HB3 SER A 102 -0.138 -2.347 12.069 1.00 41.15 H new ATOM 0 HG SER A 102 -1.458 -4.701 11.561 1.00 15.10 H new ATOM 1431 N ASN A 103 0.450 -6.421 10.846 1.00 22.41 N ATOM 1432 CA ASN A 103 0.870 -7.818 10.987 1.00 1.32 C ATOM 1433 C ASN A 103 2.063 -8.096 10.064 1.00 63.24 C ATOM 1434 O ASN A 103 3.068 -8.658 10.494 1.00 71.53 O ATOM 1435 CB ASN A 103 -0.300 -8.780 10.718 1.00 64.23 C ATOM 1436 CG ASN A 103 -0.118 -10.073 11.505 1.00 35.33 C ATOM 1437 OD1 ASN A 103 -0.364 -10.085 12.712 1.00 22.11 O ATOM 1438 ND2 ASN A 103 0.291 -11.164 10.882 1.00 31.42 N ATOM 0 H ASN A 103 -0.497 -6.301 10.488 1.00 22.41 H new ATOM 0 HA ASN A 103 1.187 -7.991 12.015 1.00 1.32 H new ATOM 0 HB2 ASN A 103 -1.241 -8.306 10.998 1.00 64.23 H new ATOM 0 HB3 ASN A 103 -0.360 -9.001 9.652 1.00 64.23 H new ATOM 0 HD21 ASN A 103 0.408 -12.034 11.401 1.00 31.42 H new ATOM 0 HD22 ASN A 103 0.490 -11.136 9.882 1.00 31.42 H new ATOM 1445 N ALA A 104 1.977 -7.644 8.808 1.00 34.24 N ATOM 1446 CA ALA A 104 3.007 -7.798 7.791 1.00 42.33 C ATOM 1447 C ALA A 104 4.308 -7.120 8.233 1.00 53.31 C ATOM 1448 O ALA A 104 5.396 -7.673 8.048 1.00 64.53 O ATOM 1449 CB ALA A 104 2.497 -7.217 6.461 1.00 63.13 C ATOM 0 H ALA A 104 1.156 -7.144 8.466 1.00 34.24 H new ATOM 0 HA ALA A 104 3.224 -8.857 7.651 1.00 42.33 H new ATOM 0 HB1 ALA A 104 3.265 -7.330 5.696 1.00 63.13 H new ATOM 0 HB2 ALA A 104 1.597 -7.749 6.153 1.00 63.13 H new ATOM 0 HB3 ALA A 104 2.267 -6.159 6.590 1.00 63.13 H new ATOM 1455 N PHE A 105 4.234 -5.928 8.838 1.00 14.43 N ATOM 1456 CA PHE A 105 5.446 -5.255 9.268 1.00 65.33 C ATOM 1457 C PHE A 105 6.097 -5.927 10.456 1.00 73.32 C ATOM 1458 O PHE A 105 7.324 -5.895 10.539 1.00 45.12 O ATOM 1459 CB PHE A 105 5.243 -3.775 9.489 1.00 24.35 C ATOM 1460 CG PHE A 105 5.339 -3.007 8.195 1.00 60.45 C ATOM 1461 CD1 PHE A 105 6.529 -3.067 7.445 1.00 3.22 C ATOM 1462 CD2 PHE A 105 4.243 -2.269 7.725 1.00 24.04 C ATOM 1463 CE1 PHE A 105 6.624 -2.393 6.221 1.00 62.00 C ATOM 1464 CE2 PHE A 105 4.345 -1.575 6.510 1.00 54.42 C ATOM 1465 CZ PHE A 105 5.533 -1.640 5.760 1.00 42.31 C ATOM 0 H PHE A 105 3.367 -5.427 9.033 1.00 14.43 H new ATOM 0 HA PHE A 105 6.148 -5.349 8.440 1.00 65.33 H new ATOM 0 HB2 PHE A 105 4.267 -3.604 9.944 1.00 24.35 H new ATOM 0 HB3 PHE A 105 5.991 -3.404 10.190 1.00 24.35 H new ATOM 0 HD1 PHE A 105 7.371 -3.634 7.814 1.00 3.22 H new ATOM 0 HD2 PHE A 105 3.326 -2.235 8.295 1.00 24.04 H new ATOM 0 HE1 PHE A 105 7.530 -2.452 5.636 1.00 62.00 H new ATOM 0 HE2 PHE A 105 3.511 -0.991 6.150 1.00 54.42 H new ATOM 0 HZ PHE A 105 5.606 -1.107 4.823 1.00 42.31 H new ATOM 1475 N LEU A 106 5.332 -6.549 11.353 1.00 3.51 N ATOM 1476 CA LEU A 106 5.906 -7.259 12.478 1.00 15.24 C ATOM 1477 C LEU A 106 6.777 -8.390 11.933 1.00 13.12 C ATOM 1478 O LEU A 106 7.919 -8.547 12.352 1.00 63.13 O ATOM 1479 CB LEU A 106 4.794 -7.860 13.357 1.00 21.31 C ATOM 1480 CG LEU A 106 4.573 -7.147 14.690 1.00 21.25 C ATOM 1481 CD1 LEU A 106 5.862 -7.067 15.509 1.00 43.52 C ATOM 1482 CD2 LEU A 106 3.984 -5.751 14.533 1.00 43.15 C ATOM 0 H LEU A 106 4.313 -6.571 11.316 1.00 3.51 H new ATOM 0 HA LEU A 106 6.496 -6.570 13.083 1.00 15.24 H new ATOM 0 HB2 LEU A 106 3.860 -7.847 12.795 1.00 21.31 H new ATOM 0 HB3 LEU A 106 5.032 -8.905 13.555 1.00 21.31 H new ATOM 0 HG LEU A 106 3.844 -7.756 15.224 1.00 21.25 H new ATOM 0 HD11 LEU A 106 5.664 -6.553 16.450 1.00 43.52 H new ATOM 0 HD12 LEU A 106 6.225 -8.074 15.715 1.00 43.52 H new ATOM 0 HD13 LEU A 106 6.617 -6.517 14.947 1.00 43.52 H new ATOM 0 HD21 LEU A 106 3.852 -5.299 15.516 1.00 43.15 H new ATOM 0 HD22 LEU A 106 4.660 -5.136 13.939 1.00 43.15 H new ATOM 0 HD23 LEU A 106 3.018 -5.818 14.032 1.00 43.15 H new ATOM 1494 N GLN A 107 6.255 -9.134 10.958 1.00 41.30 N ATOM 1495 CA GLN A 107 6.952 -10.253 10.350 1.00 24.00 C ATOM 1496 C GLN A 107 8.213 -9.835 9.586 1.00 10.53 C ATOM 1497 O GLN A 107 9.222 -10.540 9.650 1.00 73.14 O ATOM 1498 CB GLN A 107 5.995 -10.987 9.405 1.00 10.01 C ATOM 1499 CG GLN A 107 4.788 -11.601 10.135 1.00 51.14 C ATOM 1500 CD GLN A 107 3.731 -12.099 9.154 1.00 21.45 C ATOM 1501 OE1 GLN A 107 3.413 -11.453 8.155 1.00 21.30 O ATOM 1502 NE2 GLN A 107 3.179 -13.272 9.379 1.00 0.51 N ATOM 0 H GLN A 107 5.327 -8.970 10.568 1.00 41.30 H new ATOM 0 HA GLN A 107 7.279 -10.908 11.158 1.00 24.00 H new ATOM 0 HB2 GLN A 107 5.639 -10.292 8.645 1.00 10.01 H new ATOM 0 HB3 GLN A 107 6.539 -11.776 8.886 1.00 10.01 H new ATOM 0 HG2 GLN A 107 5.123 -12.428 10.761 1.00 51.14 H new ATOM 0 HG3 GLN A 107 4.347 -10.858 10.799 1.00 51.14 H new ATOM 0 HE21 GLN A 107 3.441 -13.809 10.206 1.00 0.51 H new ATOM 0 HE22 GLN A 107 2.489 -13.645 8.727 1.00 0.51 H new ATOM 1511 N THR A 108 8.194 -8.699 8.890 1.00 51.21 N ATOM 1512 CA THR A 108 9.333 -8.236 8.100 1.00 14.44 C ATOM 1513 C THR A 108 10.352 -7.375 8.853 1.00 72.14 C ATOM 1514 O THR A 108 11.557 -7.568 8.681 1.00 11.04 O ATOM 1515 CB THR A 108 8.801 -7.449 6.889 1.00 42.32 C ATOM 1516 OG1 THR A 108 7.899 -6.434 7.278 1.00 31.41 O ATOM 1517 CG2 THR A 108 8.027 -8.339 5.927 1.00 2.15 C ATOM 0 H THR A 108 7.388 -8.074 8.858 1.00 51.21 H new ATOM 0 HA THR A 108 9.879 -9.134 7.809 1.00 14.44 H new ATOM 0 HB THR A 108 9.688 -7.031 6.413 1.00 42.32 H new ATOM 0 HG1 THR A 108 7.007 -6.819 7.402 1.00 31.41 H new ATOM 0 HG21 THR A 108 7.670 -7.743 5.087 1.00 2.15 H new ATOM 0 HG22 THR A 108 8.680 -9.130 5.559 1.00 2.15 H new ATOM 0 HG23 THR A 108 7.177 -8.782 6.445 1.00 2.15 H new ATOM 1525 N THR A 109 9.875 -6.444 9.682 1.00 22.20 N ATOM 1526 CA THR A 109 10.687 -5.488 10.432 1.00 42.02 C ATOM 1527 C THR A 109 10.497 -5.438 11.951 1.00 3.35 C ATOM 1528 O THR A 109 11.223 -4.689 12.610 1.00 60.11 O ATOM 1529 CB THR A 109 10.450 -4.100 9.807 1.00 31.04 C ATOM 1530 OG1 THR A 109 9.078 -3.724 9.803 1.00 41.42 O ATOM 1531 CG2 THR A 109 10.944 -4.044 8.364 1.00 11.42 C ATOM 0 H THR A 109 8.876 -6.333 9.855 1.00 22.20 H new ATOM 0 HA THR A 109 11.717 -5.833 10.342 1.00 42.02 H new ATOM 0 HB THR A 109 11.012 -3.407 10.433 1.00 31.04 H new ATOM 0 HG1 THR A 109 8.542 -4.438 10.208 1.00 41.42 H new ATOM 0 HG21 THR A 109 10.761 -3.050 7.955 1.00 11.42 H new ATOM 0 HG22 THR A 109 12.013 -4.256 8.337 1.00 11.42 H new ATOM 0 HG23 THR A 109 10.412 -4.785 7.768 1.00 11.42 H new ATOM 1539 N GLY A 110 9.525 -6.150 12.524 1.00 44.33 N ATOM 1540 CA GLY A 110 9.291 -6.154 13.962 1.00 63.34 C ATOM 1541 C GLY A 110 8.806 -4.825 14.550 1.00 34.14 C ATOM 1542 O GLY A 110 9.016 -4.605 15.747 1.00 24.24 O ATOM 0 H GLY A 110 8.879 -6.740 12.000 1.00 44.33 H new ATOM 0 HA2 GLY A 110 8.555 -6.924 14.192 1.00 63.34 H new ATOM 0 HA3 GLY A 110 10.216 -6.438 14.463 1.00 63.34 H new ATOM 1546 N VAL A 111 8.179 -3.931 13.773 1.00 33.32 N ATOM 1547 CA VAL A 111 7.681 -2.646 14.262 1.00 23.51 C ATOM 1548 C VAL A 111 6.324 -2.296 13.633 1.00 71.51 C ATOM 1549 O VAL A 111 6.022 -2.755 12.529 1.00 21.33 O ATOM 1550 CB VAL A 111 8.719 -1.548 13.947 1.00 0.32 C ATOM 1551 CG1 VAL A 111 9.960 -1.630 14.849 1.00 15.01 C ATOM 1552 CG2 VAL A 111 9.181 -1.521 12.481 1.00 61.23 C ATOM 0 H VAL A 111 8.004 -4.084 12.780 1.00 33.32 H new ATOM 0 HA VAL A 111 7.534 -2.715 15.340 1.00 23.51 H new ATOM 0 HB VAL A 111 8.179 -0.623 14.148 1.00 0.32 H new ATOM 0 HG11 VAL A 111 10.656 -0.834 14.583 1.00 15.01 H new ATOM 0 HG12 VAL A 111 9.661 -1.517 15.891 1.00 15.01 H new ATOM 0 HG13 VAL A 111 10.445 -2.597 14.713 1.00 15.01 H new ATOM 0 HG21 VAL A 111 9.909 -0.722 12.344 1.00 61.23 H new ATOM 0 HG22 VAL A 111 9.639 -2.477 12.226 1.00 61.23 H new ATOM 0 HG23 VAL A 111 8.323 -1.345 11.832 1.00 61.23 H new ATOM 1562 N VAL A 112 5.515 -1.469 14.309 1.00 12.31 N ATOM 1563 CA VAL A 112 4.209 -1.017 13.827 1.00 71.50 C ATOM 1564 C VAL A 112 4.356 0.475 13.538 1.00 34.23 C ATOM 1565 O VAL A 112 4.725 1.243 14.427 1.00 15.41 O ATOM 1566 CB VAL A 112 3.078 -1.235 14.853 1.00 60.20 C ATOM 1567 CG1 VAL A 112 1.737 -0.823 14.222 1.00 24.41 C ATOM 1568 CG2 VAL A 112 2.973 -2.690 15.310 1.00 74.30 C ATOM 0 H VAL A 112 5.758 -1.090 15.224 1.00 12.31 H new ATOM 0 HA VAL A 112 3.929 -1.594 12.946 1.00 71.50 H new ATOM 0 HB VAL A 112 3.311 -0.625 15.726 1.00 60.20 H new ATOM 0 HG11 VAL A 112 0.934 -0.975 14.943 1.00 24.41 H new ATOM 0 HG12 VAL A 112 1.776 0.229 13.939 1.00 24.41 H new ATOM 0 HG13 VAL A 112 1.550 -1.430 13.337 1.00 24.41 H new ATOM 0 HG21 VAL A 112 2.162 -2.787 16.031 1.00 74.30 H new ATOM 0 HG22 VAL A 112 2.772 -3.328 14.449 1.00 74.30 H new ATOM 0 HG23 VAL A 112 3.911 -2.994 15.776 1.00 74.30 H new ATOM 1578 N ASN A 113 4.054 0.899 12.318 1.00 54.02 N ATOM 1579 CA ASN A 113 4.122 2.270 11.848 1.00 42.03 C ATOM 1580 C ASN A 113 2.693 2.802 11.914 1.00 3.24 C ATOM 1581 O ASN A 113 2.063 3.068 10.896 1.00 64.54 O ATOM 1582 CB ASN A 113 4.714 2.320 10.421 1.00 70.41 C ATOM 1583 CG ASN A 113 6.019 1.562 10.199 1.00 50.14 C ATOM 1584 OD1 ASN A 113 6.156 0.853 9.205 1.00 2.22 O ATOM 1585 ND2 ASN A 113 7.002 1.672 11.077 1.00 33.34 N ATOM 0 H ASN A 113 3.738 0.257 11.592 1.00 54.02 H new ATOM 0 HA ASN A 113 4.780 2.889 12.458 1.00 42.03 H new ATOM 0 HB2 ASN A 113 3.969 1.927 9.729 1.00 70.41 H new ATOM 0 HB3 ASN A 113 4.877 3.365 10.155 1.00 70.41 H new ATOM 0 HD21 ASN A 113 7.876 1.168 10.930 1.00 33.34 H new ATOM 0 HD22 ASN A 113 6.886 2.261 11.901 1.00 33.34 H new ATOM 1592 N GLN A 114 2.179 2.987 13.132 1.00 24.51 N ATOM 1593 CA GLN A 114 0.810 3.438 13.373 1.00 5.42 C ATOM 1594 C GLN A 114 0.340 4.643 12.534 1.00 73.10 C ATOM 1595 O GLN A 114 -0.619 4.459 11.779 1.00 31.43 O ATOM 1596 CB GLN A 114 0.595 3.707 14.869 1.00 1.10 C ATOM 1597 CG GLN A 114 0.473 2.444 15.730 1.00 2.23 C ATOM 1598 CD GLN A 114 0.114 2.788 17.176 1.00 10.44 C ATOM 1599 OE1 GLN A 114 -0.021 3.949 17.558 1.00 61.42 O ATOM 1600 NE2 GLN A 114 -0.035 1.792 18.029 1.00 34.33 N ATOM 0 H GLN A 114 2.710 2.825 13.988 1.00 24.51 H new ATOM 0 HA GLN A 114 0.184 2.612 13.035 1.00 5.42 H new ATOM 0 HB2 GLN A 114 1.426 4.306 15.241 1.00 1.10 H new ATOM 0 HB3 GLN A 114 -0.309 4.304 14.992 1.00 1.10 H new ATOM 0 HG2 GLN A 114 -0.289 1.788 15.310 1.00 2.23 H new ATOM 0 HG3 GLN A 114 1.414 1.894 15.708 1.00 2.23 H new ATOM 0 HE21 GLN A 114 0.077 0.829 17.713 1.00 34.33 H new ATOM 0 HE22 GLN A 114 -0.262 1.986 19.004 1.00 34.33 H new ATOM 1609 N PRO A 115 0.922 5.850 12.608 1.00 0.13 N ATOM 1610 CA PRO A 115 0.432 6.974 11.820 1.00 63.25 C ATOM 1611 C PRO A 115 0.617 6.757 10.314 1.00 52.31 C ATOM 1612 O PRO A 115 -0.238 7.174 9.539 1.00 41.24 O ATOM 1613 CB PRO A 115 1.148 8.208 12.366 1.00 3.23 C ATOM 1614 CG PRO A 115 2.453 7.638 12.908 1.00 20.34 C ATOM 1615 CD PRO A 115 2.052 6.259 13.422 1.00 32.43 C ATOM 0 HA PRO A 115 -0.647 7.096 11.918 1.00 63.25 H new ATOM 0 HB2 PRO A 115 1.325 8.949 11.587 1.00 3.23 H new ATOM 0 HB3 PRO A 115 0.567 8.699 13.147 1.00 3.23 H new ATOM 0 HG2 PRO A 115 3.215 7.571 12.132 1.00 20.34 H new ATOM 0 HG3 PRO A 115 2.863 8.260 13.704 1.00 20.34 H new ATOM 0 HD2 PRO A 115 2.877 5.552 13.331 1.00 32.43 H new ATOM 0 HD3 PRO A 115 1.781 6.298 14.477 1.00 32.43 H new ATOM 1623 N PHE A 116 1.690 6.076 9.906 1.00 10.42 N ATOM 1624 CA PHE A 116 2.005 5.782 8.511 1.00 41.52 C ATOM 1625 C PHE A 116 0.907 4.907 7.897 1.00 20.32 C ATOM 1626 O PHE A 116 0.519 5.070 6.746 1.00 54.34 O ATOM 1627 CB PHE A 116 3.362 5.065 8.489 1.00 42.30 C ATOM 1628 CG PHE A 116 4.171 5.161 7.216 1.00 71.12 C ATOM 1629 CD1 PHE A 116 4.031 4.184 6.215 1.00 41.04 C ATOM 1630 CD2 PHE A 116 5.145 6.168 7.079 1.00 3.23 C ATOM 1631 CE1 PHE A 116 4.877 4.219 5.090 1.00 24.52 C ATOM 1632 CE2 PHE A 116 5.987 6.196 5.955 1.00 12.42 C ATOM 1633 CZ PHE A 116 5.852 5.220 4.956 1.00 10.13 C ATOM 0 H PHE A 116 2.382 5.704 10.557 1.00 10.42 H new ATOM 0 HA PHE A 116 2.058 6.697 7.920 1.00 41.52 H new ATOM 0 HB2 PHE A 116 3.967 5.461 9.305 1.00 42.30 H new ATOM 0 HB3 PHE A 116 3.191 4.010 8.702 1.00 42.30 H new ATOM 0 HD1 PHE A 116 3.281 3.413 6.308 1.00 41.04 H new ATOM 0 HD2 PHE A 116 5.246 6.924 7.843 1.00 3.23 H new ATOM 0 HE1 PHE A 116 4.775 3.467 4.321 1.00 24.52 H new ATOM 0 HE2 PHE A 116 6.737 6.967 5.860 1.00 12.42 H new ATOM 0 HZ PHE A 116 6.495 5.239 4.088 1.00 10.13 H new ATOM 1643 N ILE A 117 0.402 3.950 8.670 1.00 31.42 N ATOM 1644 CA ILE A 117 -0.658 3.054 8.247 1.00 55.24 C ATOM 1645 C ILE A 117 -1.990 3.833 8.275 1.00 21.33 C ATOM 1646 O ILE A 117 -2.798 3.710 7.351 1.00 25.35 O ATOM 1647 CB ILE A 117 -0.599 1.792 9.139 1.00 14.12 C ATOM 1648 CG1 ILE A 117 0.685 0.990 8.801 1.00 11.52 C ATOM 1649 CG2 ILE A 117 -1.827 0.900 8.931 1.00 30.44 C ATOM 1650 CD1 ILE A 117 1.045 -0.082 9.832 1.00 23.24 C ATOM 0 H ILE A 117 0.726 3.776 9.622 1.00 31.42 H new ATOM 0 HA ILE A 117 -0.549 2.700 7.222 1.00 55.24 H new ATOM 0 HB ILE A 117 -0.586 2.109 10.182 1.00 14.12 H new ATOM 0 HG12 ILE A 117 0.557 0.514 7.829 1.00 11.52 H new ATOM 0 HG13 ILE A 117 1.520 1.685 8.709 1.00 11.52 H new ATOM 0 HG21 ILE A 117 -1.752 0.023 9.573 1.00 30.44 H new ATOM 0 HG22 ILE A 117 -2.729 1.458 9.182 1.00 30.44 H new ATOM 0 HG23 ILE A 117 -1.875 0.584 7.889 1.00 30.44 H new ATOM 0 HD11 ILE A 117 1.954 -0.596 9.520 1.00 23.24 H new ATOM 0 HD12 ILE A 117 1.207 0.387 10.803 1.00 23.24 H new ATOM 0 HD13 ILE A 117 0.230 -0.802 9.908 1.00 23.24 H new ATOM 1662 N ASN A 118 -2.223 4.650 9.309 1.00 52.51 N ATOM 1663 CA ASN A 118 -3.443 5.443 9.476 1.00 71.45 C ATOM 1664 C ASN A 118 -3.663 6.438 8.337 1.00 64.24 C ATOM 1665 O ASN A 118 -4.794 6.586 7.862 1.00 74.30 O ATOM 1666 CB ASN A 118 -3.410 6.226 10.795 1.00 73.42 C ATOM 1667 CG ASN A 118 -3.949 5.449 11.981 1.00 74.01 C ATOM 1668 OD1 ASN A 118 -5.133 5.125 12.032 1.00 24.32 O ATOM 1669 ND2 ASN A 118 -3.127 5.146 12.961 1.00 22.23 N ATOM 0 H ASN A 118 -1.554 4.780 10.068 1.00 52.51 H new ATOM 0 HA ASN A 118 -4.264 4.726 9.476 1.00 71.45 H new ATOM 0 HB2 ASN A 118 -2.383 6.524 11.004 1.00 73.42 H new ATOM 0 HB3 ASN A 118 -3.990 7.141 10.678 1.00 73.42 H new ATOM 0 HD21 ASN A 118 -3.470 4.636 13.775 1.00 22.23 H new ATOM 0 HD22 ASN A 118 -2.146 5.420 12.907 1.00 22.23 H new ATOM 1676 N GLU A 119 -2.628 7.162 7.915 1.00 73.32 N ATOM 1677 CA GLU A 119 -2.756 8.137 6.838 1.00 42.24 C ATOM 1678 C GLU A 119 -3.095 7.446 5.513 1.00 11.13 C ATOM 1679 O GLU A 119 -3.873 7.997 4.737 1.00 4.51 O ATOM 1680 CB GLU A 119 -1.500 9.011 6.759 1.00 51.02 C ATOM 1681 CG GLU A 119 -0.283 8.271 6.215 1.00 41.15 C ATOM 1682 CD GLU A 119 1.016 9.011 6.556 1.00 73.21 C ATOM 1683 OE1 GLU A 119 1.310 9.263 7.746 1.00 2.23 O ATOM 1684 OE2 GLU A 119 1.745 9.439 5.634 1.00 41.11 O ATOM 0 H GLU A 119 -1.688 7.090 8.306 1.00 73.32 H new ATOM 0 HA GLU A 119 -3.590 8.804 7.054 1.00 42.24 H new ATOM 0 HB2 GLU A 119 -1.705 9.873 6.125 1.00 51.02 H new ATOM 0 HB3 GLU A 119 -1.269 9.394 7.753 1.00 51.02 H new ATOM 0 HG2 GLU A 119 -0.251 7.264 6.631 1.00 41.15 H new ATOM 0 HG3 GLU A 119 -0.372 8.166 5.134 1.00 41.15 H new ATOM 1691 N ILE A 120 -2.576 6.238 5.268 1.00 33.32 N ATOM 1692 CA ILE A 120 -2.857 5.490 4.049 1.00 71.34 C ATOM 1693 C ILE A 120 -4.347 5.133 4.020 1.00 51.10 C ATOM 1694 O ILE A 120 -4.961 5.216 2.957 1.00 12.54 O ATOM 1695 CB ILE A 120 -1.932 4.250 3.968 1.00 33.32 C ATOM 1696 CG1 ILE A 120 -0.481 4.635 3.609 1.00 2.20 C ATOM 1697 CG2 ILE A 120 -2.440 3.159 3.008 1.00 53.24 C ATOM 1698 CD1 ILE A 120 -0.255 5.052 2.149 1.00 40.13 C ATOM 0 H ILE A 120 -1.950 5.756 5.913 1.00 33.32 H new ATOM 0 HA ILE A 120 -2.646 6.091 3.165 1.00 71.34 H new ATOM 0 HB ILE A 120 -1.948 3.824 4.971 1.00 33.32 H new ATOM 0 HG12 ILE A 120 -0.169 5.455 4.256 1.00 2.20 H new ATOM 0 HG13 ILE A 120 0.168 3.788 3.832 1.00 2.20 H new ATOM 0 HG21 ILE A 120 -1.741 2.323 3.004 1.00 53.24 H new ATOM 0 HG22 ILE A 120 -3.419 2.811 3.338 1.00 53.24 H new ATOM 0 HG23 ILE A 120 -2.521 3.569 2.001 1.00 53.24 H new ATOM 0 HD11 ILE A 120 0.795 5.302 2.001 1.00 40.13 H new ATOM 0 HD12 ILE A 120 -0.529 4.229 1.489 1.00 40.13 H new ATOM 0 HD13 ILE A 120 -0.871 5.921 1.919 1.00 40.13 H new ATOM 1710 N THR A 121 -4.957 4.784 5.161 1.00 41.34 N ATOM 1711 CA THR A 121 -6.382 4.430 5.155 1.00 14.44 C ATOM 1712 C THR A 121 -7.266 5.587 4.681 1.00 35.33 C ATOM 1713 O THR A 121 -8.256 5.354 3.981 1.00 62.42 O ATOM 1714 CB THR A 121 -6.863 3.864 6.503 1.00 54.52 C ATOM 1715 OG1 THR A 121 -6.106 4.282 7.626 1.00 40.13 O ATOM 1716 CG2 THR A 121 -6.751 2.352 6.478 1.00 74.55 C ATOM 0 H THR A 121 -4.503 4.740 6.073 1.00 41.34 H new ATOM 0 HA THR A 121 -6.485 3.626 4.426 1.00 14.44 H new ATOM 0 HB THR A 121 -7.882 4.234 6.614 1.00 54.52 H new ATOM 0 HG1 THR A 121 -5.901 5.237 7.545 1.00 40.13 H new ATOM 0 HG21 THR A 121 -7.091 1.946 7.431 1.00 74.55 H new ATOM 0 HG22 THR A 121 -7.370 1.955 5.673 1.00 74.55 H new ATOM 0 HG23 THR A 121 -5.712 2.067 6.312 1.00 74.55 H new ATOM 1724 N GLN A 122 -6.884 6.821 5.025 1.00 75.42 N ATOM 1725 CA GLN A 122 -7.628 8.012 4.617 1.00 41.21 C ATOM 1726 C GLN A 122 -7.672 8.079 3.092 1.00 62.20 C ATOM 1727 O GLN A 122 -8.714 8.427 2.543 1.00 0.35 O ATOM 1728 CB GLN A 122 -6.999 9.311 5.151 1.00 5.30 C ATOM 1729 CG GLN A 122 -7.203 9.554 6.648 1.00 62.13 C ATOM 1730 CD GLN A 122 -8.616 10.037 6.971 1.00 62.22 C ATOM 1731 OE1 GLN A 122 -8.968 11.197 6.749 1.00 45.32 O ATOM 1732 NE2 GLN A 122 -9.452 9.167 7.508 1.00 13.22 N ATOM 0 H GLN A 122 -6.058 7.019 5.589 1.00 75.42 H new ATOM 0 HA GLN A 122 -8.630 7.929 5.037 1.00 41.21 H new ATOM 0 HB2 GLN A 122 -5.929 9.293 4.943 1.00 5.30 H new ATOM 0 HB3 GLN A 122 -7.417 10.154 4.600 1.00 5.30 H new ATOM 0 HG2 GLN A 122 -7.003 8.632 7.194 1.00 62.13 H new ATOM 0 HG3 GLN A 122 -6.481 10.293 6.995 1.00 62.13 H new ATOM 0 HE21 GLN A 122 -9.147 8.210 7.686 1.00 13.22 H new ATOM 0 HE22 GLN A 122 -10.402 9.452 7.744 1.00 13.22 H new ATOM 1741 N LEU A 123 -6.557 7.771 2.413 1.00 31.54 N ATOM 1742 CA LEU A 123 -6.501 7.799 0.957 1.00 54.52 C ATOM 1743 C LEU A 123 -7.502 6.805 0.381 1.00 34.54 C ATOM 1744 O LEU A 123 -8.261 7.197 -0.497 1.00 51.14 O ATOM 1745 CB LEU A 123 -5.086 7.523 0.418 1.00 52.42 C ATOM 1746 CG LEU A 123 -4.097 8.689 0.594 1.00 15.12 C ATOM 1747 CD1 LEU A 123 -2.654 8.196 0.456 1.00 14.21 C ATOM 1748 CD2 LEU A 123 -4.345 9.796 -0.439 1.00 73.13 C ATOM 0 H LEU A 123 -5.681 7.499 2.859 1.00 31.54 H new ATOM 0 HA LEU A 123 -6.766 8.806 0.636 1.00 54.52 H new ATOM 0 HB2 LEU A 123 -4.684 6.644 0.921 1.00 52.42 H new ATOM 0 HB3 LEU A 123 -5.156 7.279 -0.642 1.00 52.42 H new ATOM 0 HG LEU A 123 -4.254 9.096 1.593 1.00 15.12 H new ATOM 0 HD11 LEU A 123 -1.969 9.034 0.583 1.00 14.21 H new ATOM 0 HD12 LEU A 123 -2.452 7.444 1.218 1.00 14.21 H new ATOM 0 HD13 LEU A 123 -2.512 7.759 -0.532 1.00 14.21 H new ATOM 0 HD21 LEU A 123 -3.629 10.604 -0.286 1.00 73.13 H new ATOM 0 HD22 LEU A 123 -4.225 9.390 -1.443 1.00 73.13 H new ATOM 0 HD23 LEU A 123 -5.358 10.182 -0.323 1.00 73.13 H new ATOM 1760 N VAL A 124 -7.558 5.557 0.869 1.00 72.33 N ATOM 1761 CA VAL A 124 -8.495 4.574 0.346 1.00 1.20 C ATOM 1762 C VAL A 124 -9.944 5.058 0.511 1.00 21.50 C ATOM 1763 O VAL A 124 -10.697 5.041 -0.461 1.00 70.12 O ATOM 1764 CB VAL A 124 -8.287 3.225 1.050 1.00 43.43 C ATOM 1765 CG1 VAL A 124 -9.060 2.104 0.343 1.00 0.03 C ATOM 1766 CG2 VAL A 124 -6.813 2.795 1.118 1.00 32.14 C ATOM 0 H VAL A 124 -6.964 5.213 1.623 1.00 72.33 H new ATOM 0 HA VAL A 124 -8.306 4.445 -0.720 1.00 1.20 H new ATOM 0 HB VAL A 124 -8.657 3.378 2.064 1.00 43.43 H new ATOM 0 HG11 VAL A 124 -8.893 1.162 0.865 1.00 0.03 H new ATOM 0 HG12 VAL A 124 -10.125 2.337 0.348 1.00 0.03 H new ATOM 0 HG13 VAL A 124 -8.712 2.015 -0.686 1.00 0.03 H new ATOM 0 HG21 VAL A 124 -6.737 1.834 1.627 1.00 32.14 H new ATOM 0 HG22 VAL A 124 -6.414 2.703 0.108 1.00 32.14 H new ATOM 0 HG23 VAL A 124 -6.241 3.543 1.667 1.00 32.14 H new ATOM 1776 N SER A 125 -10.353 5.479 1.714 1.00 25.53 N ATOM 1777 CA SER A 125 -11.718 5.944 1.931 1.00 64.44 C ATOM 1778 C SER A 125 -12.034 7.160 1.070 1.00 61.35 C ATOM 1779 O SER A 125 -13.069 7.165 0.403 1.00 25.42 O ATOM 1780 CB SER A 125 -11.964 6.248 3.409 1.00 41.13 C ATOM 1781 OG SER A 125 -12.234 5.046 4.101 1.00 22.31 O ATOM 0 H SER A 125 -9.759 5.505 2.543 1.00 25.53 H new ATOM 0 HA SER A 125 -12.391 5.140 1.632 1.00 64.44 H new ATOM 0 HB2 SER A 125 -11.092 6.739 3.840 1.00 41.13 H new ATOM 0 HB3 SER A 125 -12.802 6.937 3.515 1.00 41.13 H new ATOM 0 HG SER A 125 -12.390 5.242 5.048 1.00 22.31 H new ATOM 1787 N MET A 126 -11.161 8.168 1.058 1.00 20.11 N ATOM 1788 CA MET A 126 -11.366 9.373 0.275 1.00 70.54 C ATOM 1789 C MET A 126 -11.507 9.018 -1.203 1.00 34.40 C ATOM 1790 O MET A 126 -12.420 9.517 -1.858 1.00 24.54 O ATOM 1791 CB MET A 126 -10.190 10.328 0.512 1.00 14.23 C ATOM 1792 CG MET A 126 -10.391 11.681 -0.173 1.00 51.10 C ATOM 1793 SD MET A 126 -8.992 12.816 0.048 1.00 24.33 S ATOM 1794 CE MET A 126 -7.837 12.128 -1.166 1.00 61.24 C ATOM 0 H MET A 126 -10.293 8.166 1.594 1.00 20.11 H new ATOM 0 HA MET A 126 -12.286 9.869 0.584 1.00 70.54 H new ATOM 0 HB2 MET A 126 -10.060 10.482 1.583 1.00 14.23 H new ATOM 0 HB3 MET A 126 -9.273 9.869 0.143 1.00 14.23 H new ATOM 0 HG2 MET A 126 -10.554 11.520 -1.239 1.00 51.10 H new ATOM 0 HG3 MET A 126 -11.294 12.148 0.220 1.00 51.10 H new ATOM 0 HE1 MET A 126 -6.930 12.732 -1.188 1.00 61.24 H new ATOM 0 HE2 MET A 126 -7.585 11.104 -0.889 1.00 61.24 H new ATOM 0 HE3 MET A 126 -8.300 12.134 -2.153 1.00 61.24 H new ATOM 1804 N PHE A 127 -10.649 8.133 -1.722 1.00 71.12 N ATOM 1805 CA PHE A 127 -10.698 7.749 -3.126 1.00 72.03 C ATOM 1806 C PHE A 127 -11.989 6.985 -3.429 1.00 34.15 C ATOM 1807 O PHE A 127 -12.588 7.162 -4.492 1.00 43.24 O ATOM 1808 CB PHE A 127 -9.436 6.954 -3.482 1.00 62.24 C ATOM 1809 CG PHE A 127 -9.217 6.767 -4.971 1.00 12.24 C ATOM 1810 CD1 PHE A 127 -8.251 7.544 -5.636 1.00 51.51 C ATOM 1811 CD2 PHE A 127 -9.983 5.839 -5.702 1.00 10.44 C ATOM 1812 CE1 PHE A 127 -8.075 7.413 -7.023 1.00 14.24 C ATOM 1813 CE2 PHE A 127 -9.802 5.703 -7.085 1.00 41.42 C ATOM 1814 CZ PHE A 127 -8.865 6.507 -7.751 1.00 4.21 C ATOM 0 H PHE A 127 -9.914 7.672 -1.186 1.00 71.12 H new ATOM 0 HA PHE A 127 -10.713 8.638 -3.756 1.00 72.03 H new ATOM 0 HB2 PHE A 127 -8.569 7.462 -3.060 1.00 62.24 H new ATOM 0 HB3 PHE A 127 -9.492 5.974 -3.009 1.00 62.24 H new ATOM 0 HD1 PHE A 127 -7.644 8.242 -5.079 1.00 51.51 H new ATOM 0 HD2 PHE A 127 -10.715 5.228 -5.194 1.00 10.44 H new ATOM 0 HE1 PHE A 127 -7.332 8.009 -7.531 1.00 14.24 H new ATOM 0 HE2 PHE A 127 -10.383 4.980 -7.638 1.00 41.42 H new ATOM 0 HZ PHE A 127 -8.751 6.430 -8.822 1.00 4.21 H new ATOM 1824 N ALA A 128 -12.435 6.120 -2.510 1.00 53.11 N ATOM 1825 CA ALA A 128 -13.663 5.360 -2.699 1.00 1.23 C ATOM 1826 C ALA A 128 -14.864 6.312 -2.698 1.00 44.23 C ATOM 1827 O ALA A 128 -15.850 6.031 -3.374 1.00 11.12 O ATOM 1828 CB ALA A 128 -13.810 4.278 -1.624 1.00 61.04 C ATOM 0 H ALA A 128 -11.958 5.933 -1.628 1.00 53.11 H new ATOM 0 HA ALA A 128 -13.621 4.854 -3.663 1.00 1.23 H new ATOM 0 HB1 ALA A 128 -14.735 3.725 -1.788 1.00 61.04 H new ATOM 0 HB2 ALA A 128 -12.964 3.593 -1.679 1.00 61.04 H new ATOM 0 HB3 ALA A 128 -13.836 4.745 -0.639 1.00 61.04 H new ATOM 1834 N GLN A 129 -14.823 7.409 -1.930 1.00 12.31 N ATOM 1835 CA GLN A 129 -15.915 8.370 -1.903 1.00 14.40 C ATOM 1836 C GLN A 129 -15.849 9.180 -3.203 1.00 14.05 C ATOM 1837 O GLN A 129 -16.767 9.070 -4.019 1.00 1.23 O ATOM 1838 CB GLN A 129 -15.876 9.268 -0.651 1.00 44.33 C ATOM 1839 CG GLN A 129 -16.204 8.546 0.667 1.00 72.52 C ATOM 1840 CD GLN A 129 -17.600 7.923 0.706 1.00 73.44 C ATOM 1841 OE1 GLN A 129 -17.778 6.757 0.344 1.00 64.41 O ATOM 1842 NE2 GLN A 129 -18.612 8.636 1.170 1.00 23.03 N ATOM 0 H GLN A 129 -14.040 7.646 -1.321 1.00 12.31 H new ATOM 0 HA GLN A 129 -16.868 7.846 -1.840 1.00 14.40 H new ATOM 0 HB2 GLN A 129 -14.884 9.712 -0.569 1.00 44.33 H new ATOM 0 HB3 GLN A 129 -16.582 10.088 -0.786 1.00 44.33 H new ATOM 0 HG2 GLN A 129 -15.464 7.764 0.834 1.00 72.52 H new ATOM 0 HG3 GLN A 129 -16.111 9.254 1.490 1.00 72.52 H new ATOM 0 HE21 GLN A 129 -18.462 9.600 1.469 1.00 23.03 H new ATOM 0 HE22 GLN A 129 -19.542 8.222 1.229 1.00 23.03 H new