USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 854 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 86 TYR OH : rot 9:sc= 0.47 USER MOD Set 1.2: A 124 SER OG : rot -77:sc= 1.64 USER MOD Set 2.1: A 46 SER OG : rot -140:sc= 1.22 USER MOD Set 2.2: A 50 GLN : amide:sc= 0.26 X(o=1.5,f=1.1) USER MOD Set 3.1: A 36 GLN : amide:sc= 1.73 K(o=3.2,f=-1.4!) USER MOD Set 3.2: A 81 SER OG : rot 81:sc= 1.51 USER MOD Set 4.1: A 16 MET CE :methyl -145:sc= -4.17! (180deg=-3.14!) USER MOD Set 4.2: A 19 THR OG1 : rot -90:sc= 0.0678 USER MOD Set 4.3: A 48 ASN :FLIP amide:sc= -0.076 F(o=-5.8!,f=-4.2) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 11 ASN : amide:sc= -0.88 X(o=-0.88,f=-0.48) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 17 THR OG1 : rot 58:sc= 1.26 USER MOD Single : A 18 MET CE :methyl -147:sc= -1.88 (180deg=-3.5!) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.424 F(o=-1.3,f=-0.42) USER MOD Single : A 21 ASN : amide:sc= 1.04 K(o=1,f=-0.093) USER MOD Single : A 24 GLN : amide:sc= 1.05 K(o=1,f=-6.2!) USER MOD Single : A 27 SER OG : rot -82:sc= 0.514 USER MOD Single : A 29 SER OG : rot -103:sc= 1.01 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 37 MET CE :methyl -107:sc= -1.03 (180deg=-2.58!) USER MOD Single : A 40 MET CE :methyl -152:sc= -0.179 (180deg=-0.764) USER MOD Single : A 42 MET CE :methyl 135:sc= -0.156 (180deg=-0.884) USER MOD Single : A 43 MET CE :methyl -143:sc= -0.351 (180deg=-2.34) USER MOD Single : A 49 SER OG : rot 80:sc= 1.24 USER MOD Single : A 51 MET CE :methyl -104:sc= -0.837 (180deg=-1.78) USER MOD Single : A 52 GLN : amide:sc= 0.0115 X(o=0.012,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0568) USER MOD Single : A 54 MET CE :methyl -153:sc= -0.306 (180deg=-0.393) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.897 X(o=-0.9,f=-0.7) USER MOD Single : A 61 HIS :FLIP no HD1:sc= -0.153 F(o=-0.88,f=-0.15) USER MOD Single : A 66 MET CE :methyl -149:sc= -0.467 (180deg=-2.23!) USER MOD Single : A 67 ASN : amide:sc= -0.321 K(o=-0.32,f=-3.8!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 173:sc= 0 (180deg=-0.0316) USER MOD Single : A 80 THR OG1 : rot 93:sc=0.000411 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.042 K(o=-0.042,f=-1.2!) USER MOD Single : A 92 THR OG1 : rot 80:sc= 0.532 USER MOD Single : A 100 SER OG : rot 78:sc= 1.14 USER MOD Single : A 101 MET CE :methyl 136:sc= -0.739 (180deg=-3.47!) USER MOD Single : A 102 MET CE :methyl -162:sc= -0.288 (180deg=-1.36!) USER MOD Single : A 103 GLN : amide:sc= -1.62 X(o=-1.6,f=-1.8) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 30:sc= 0.537 USER MOD Single : A 110 ASN :FLIP amide:sc= 0.0561 F(o=-2.4!,f=0.056) USER MOD Single : A 113 THR OG1 : rot -96:sc= 1.21 USER MOD Single : A 114 ASN : amide:sc= 0.104 X(o=0.1,f=0) USER MOD Single : A 117 MET CE :methyl 154:sc= -2.4! (180deg=-4.76!) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ -150:sc= -0.742 (180deg=-2.17!) USER MOD Single : A 122 MET CE :methyl -161:sc= -1.74 (180deg=-2.33) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 8 9.990 8.234 -4.409 1.00 0.00 N ATOM 82 CA ILE A 8 9.008 8.989 -3.628 1.00 0.00 C ATOM 83 C ILE A 8 8.488 10.227 -4.384 1.00 0.00 C ATOM 84 O ILE A 8 7.566 10.907 -3.934 1.00 0.00 O ATOM 85 CB ILE A 8 9.608 9.394 -2.256 1.00 0.00 C ATOM 86 CG1 ILE A 8 8.574 10.123 -1.387 1.00 0.00 C ATOM 87 CG2 ILE A 8 10.845 10.257 -2.458 1.00 0.00 C ATOM 88 CD1 ILE A 8 8.929 10.164 0.084 1.00 0.00 C ATOM 0 HA ILE A 8 8.151 8.336 -3.462 1.00 0.00 H new ATOM 0 HB ILE A 8 9.897 8.484 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.462 11.144 -1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.607 9.635 -1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 8 11.257 10.535 -1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.591 9.697 -3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.574 11.158 -3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.151 10.695 0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 8 9.012 9.147 0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 8 9.881 10.679 0.214 1.00 0.00 H new ATOM 100 N TRP A 9 9.045 10.488 -5.560 1.00 0.00 N ATOM 101 CA TRP A 9 8.590 11.600 -6.396 1.00 0.00 C ATOM 102 C TRP A 9 7.282 11.251 -7.114 1.00 0.00 C ATOM 103 O TRP A 9 6.964 11.837 -8.147 1.00 0.00 O ATOM 104 CB TRP A 9 9.645 11.951 -7.450 1.00 0.00 C ATOM 105 CG TRP A 9 10.973 12.378 -6.904 1.00 0.00 C ATOM 106 CD1 TRP A 9 12.133 11.658 -6.929 1.00 0.00 C ATOM 107 CD2 TRP A 9 11.290 13.626 -6.277 1.00 0.00 C ATOM 108 NE1 TRP A 9 13.147 12.378 -6.351 1.00 0.00 N ATOM 109 CE2 TRP A 9 12.656 13.588 -5.941 1.00 0.00 C ATOM 110 CE3 TRP A 9 10.552 14.769 -5.964 1.00 0.00 C ATOM 111 CZ2 TRP A 9 13.297 14.649 -5.309 1.00 0.00 C ATOM 112 CZ3 TRP A 9 11.189 15.823 -5.337 1.00 0.00 C ATOM 113 CH2 TRP A 9 12.550 15.757 -5.015 1.00 0.00 C ATOM 0 H TRP A 9 9.812 9.947 -5.959 1.00 0.00 H new ATOM 0 HA TRP A 9 8.426 12.453 -5.738 1.00 0.00 H new ATOM 0 HB2 TRP A 9 9.796 11.084 -8.093 1.00 0.00 H new ATOM 0 HB3 TRP A 9 9.255 12.751 -8.080 1.00 0.00 H new ATOM 0 HD1 TRP A 9 12.237 10.666 -7.344 1.00 0.00 H new ATOM 0 HE1 TRP A 9 14.111 12.063 -6.244 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.502 14.828 -6.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 14.347 14.600 -5.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 10.628 16.712 -5.091 1.00 0.00 H new ATOM 0 HH2 TRP A 9 13.019 16.597 -4.525 1.00 0.00 H new ATOM 124 N THR A 10 6.520 10.309 -6.565 1.00 0.00 N ATOM 125 CA THR A 10 5.310 9.837 -7.220 1.00 0.00 C ATOM 126 C THR A 10 4.192 10.873 -7.124 1.00 0.00 C ATOM 127 O THR A 10 3.475 11.119 -8.096 1.00 0.00 O ATOM 128 CB THR A 10 4.812 8.514 -6.612 1.00 0.00 C ATOM 129 OG1 THR A 10 5.915 7.755 -6.101 1.00 0.00 O ATOM 130 CG2 THR A 10 4.081 7.694 -7.665 1.00 0.00 C ATOM 0 H THR A 10 6.720 9.860 -5.671 1.00 0.00 H new ATOM 0 HA THR A 10 5.568 9.672 -8.266 1.00 0.00 H new ATOM 0 HB THR A 10 4.128 8.747 -5.796 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.585 6.917 -5.716 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.734 6.760 -7.223 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.227 8.259 -8.038 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.759 7.474 -8.490 1.00 0.00 H new ATOM 138 N ASN A 11 4.039 11.472 -5.949 1.00 0.00 N ATOM 139 CA ASN A 11 3.009 12.470 -5.744 1.00 0.00 C ATOM 140 C ASN A 11 3.588 13.705 -5.057 1.00 0.00 C ATOM 141 O ASN A 11 4.306 13.598 -4.059 1.00 0.00 O ATOM 142 CB ASN A 11 1.830 11.883 -4.949 1.00 0.00 C ATOM 143 CG ASN A 11 2.133 11.608 -3.490 1.00 0.00 C ATOM 144 OD1 ASN A 11 2.670 10.558 -3.139 1.00 0.00 O ATOM 145 ND2 ASN A 11 1.739 12.526 -2.619 1.00 0.00 N ATOM 0 H ASN A 11 4.615 11.282 -5.129 1.00 0.00 H new ATOM 0 HA ASN A 11 2.627 12.779 -6.717 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.988 12.573 -5.009 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.515 10.954 -5.423 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.878 12.374 -1.620 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.297 13.385 -2.948 1.00 0.00 H new ATOM 152 N PRO A 12 3.303 14.888 -5.629 1.00 0.00 N ATOM 153 CA PRO A 12 3.802 16.185 -5.153 1.00 0.00 C ATOM 154 C PRO A 12 3.808 16.349 -3.635 1.00 0.00 C ATOM 155 O PRO A 12 4.839 16.686 -3.049 1.00 0.00 O ATOM 156 CB PRO A 12 2.823 17.173 -5.781 1.00 0.00 C ATOM 157 CG PRO A 12 2.405 16.534 -7.059 1.00 0.00 C ATOM 158 CD PRO A 12 2.477 15.042 -6.843 1.00 0.00 C ATOM 0 HA PRO A 12 4.847 16.322 -5.430 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.968 17.351 -5.129 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.295 18.139 -5.958 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.394 16.837 -7.330 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.059 16.839 -7.876 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.485 14.612 -6.706 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.928 14.538 -7.698 1.00 0.00 H new ATOM 166 N ASN A 13 2.666 16.106 -3.005 1.00 0.00 N ATOM 167 CA ASN A 13 2.511 16.329 -1.569 1.00 0.00 C ATOM 168 C ASN A 13 3.542 15.539 -0.765 1.00 0.00 C ATOM 169 O ASN A 13 4.098 16.040 0.213 1.00 0.00 O ATOM 170 CB ASN A 13 1.098 15.944 -1.123 1.00 0.00 C ATOM 171 CG ASN A 13 0.837 16.270 0.336 1.00 0.00 C ATOM 172 OD1 ASN A 13 1.382 17.231 0.878 1.00 0.00 O ATOM 173 ND2 ASN A 13 0.001 15.474 0.982 1.00 0.00 N ATOM 0 H ASN A 13 1.828 15.753 -3.467 1.00 0.00 H new ATOM 0 HA ASN A 13 2.675 17.390 -1.379 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.370 16.466 -1.744 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.948 14.877 -1.285 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.212 15.647 1.964 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.431 14.687 0.498 1.00 0.00 H new ATOM 180 N ALA A 14 3.823 14.323 -1.205 1.00 0.00 N ATOM 181 CA ALA A 14 4.728 13.437 -0.485 1.00 0.00 C ATOM 182 C ALA A 14 6.162 13.950 -0.546 1.00 0.00 C ATOM 183 O ALA A 14 6.852 14.035 0.473 1.00 0.00 O ATOM 184 CB ALA A 14 4.642 12.033 -1.061 1.00 0.00 C ATOM 0 H ALA A 14 3.436 13.924 -2.061 1.00 0.00 H new ATOM 0 HA ALA A 14 4.426 13.413 0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.321 11.375 -0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.622 11.662 -0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.922 12.054 -2.114 1.00 0.00 H new ATOM 190 N ALA A 15 6.593 14.310 -1.744 1.00 0.00 N ATOM 191 CA ALA A 15 7.959 14.759 -1.966 1.00 0.00 C ATOM 192 C ALA A 15 8.195 16.121 -1.341 1.00 0.00 C ATOM 193 O ALA A 15 9.250 16.367 -0.756 1.00 0.00 O ATOM 194 CB ALA A 15 8.261 14.788 -3.456 1.00 0.00 C ATOM 0 H ALA A 15 6.013 14.300 -2.583 1.00 0.00 H new ATOM 0 HA ALA A 15 8.637 14.054 -1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.286 15.125 -3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.141 13.787 -3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.574 15.472 -3.953 1.00 0.00 H new ATOM 200 N MET A 16 7.204 16.996 -1.453 1.00 0.00 N ATOM 201 CA MET A 16 7.284 18.320 -0.861 1.00 0.00 C ATOM 202 C MET A 16 7.450 18.214 0.647 1.00 0.00 C ATOM 203 O MET A 16 8.206 18.971 1.250 1.00 0.00 O ATOM 204 CB MET A 16 6.025 19.121 -1.195 1.00 0.00 C ATOM 205 CG MET A 16 6.263 20.380 -2.017 1.00 0.00 C ATOM 206 SD MET A 16 7.140 21.688 -1.126 1.00 0.00 S ATOM 207 CE MET A 16 8.848 21.303 -1.502 1.00 0.00 C ATOM 0 H MET A 16 6.333 16.809 -1.951 1.00 0.00 H new ATOM 0 HA MET A 16 8.151 18.836 -1.273 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.335 18.475 -1.739 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.533 19.401 -0.264 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.833 20.117 -2.908 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.302 20.767 -2.356 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.472 21.540 -0.641 1.00 0.00 H new ATOM 0 HE2 MET A 16 8.939 20.242 -1.736 1.00 0.00 H new ATOM 0 HE3 MET A 16 9.174 21.892 -2.359 1.00 0.00 H new ATOM 217 N THR A 17 6.758 17.247 1.241 1.00 0.00 N ATOM 218 CA THR A 17 6.817 17.024 2.680 1.00 0.00 C ATOM 219 C THR A 17 8.248 16.727 3.148 1.00 0.00 C ATOM 220 O THR A 17 8.680 17.234 4.183 1.00 0.00 O ATOM 221 CB THR A 17 5.868 15.877 3.097 1.00 0.00 C ATOM 222 OG1 THR A 17 4.507 16.243 2.814 1.00 0.00 O ATOM 223 CG2 THR A 17 6.006 15.555 4.580 1.00 0.00 C ATOM 0 H THR A 17 6.146 16.601 0.743 1.00 0.00 H new ATOM 0 HA THR A 17 6.490 17.944 3.165 1.00 0.00 H new ATOM 0 HB THR A 17 6.142 14.990 2.525 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.416 16.453 1.861 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.326 14.745 4.841 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.031 15.251 4.792 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.760 16.439 5.169 1.00 0.00 H new ATOM 231 N MET A 18 8.986 15.925 2.381 1.00 0.00 N ATOM 232 CA MET A 18 10.384 15.634 2.713 1.00 0.00 C ATOM 233 C MET A 18 11.173 16.923 2.783 1.00 0.00 C ATOM 234 O MET A 18 11.916 17.174 3.733 1.00 0.00 O ATOM 235 CB MET A 18 11.060 14.777 1.649 1.00 0.00 C ATOM 236 CG MET A 18 10.301 13.544 1.222 1.00 0.00 C ATOM 237 SD MET A 18 11.177 12.664 -0.084 1.00 0.00 S ATOM 238 CE MET A 18 11.467 13.991 -1.259 1.00 0.00 C ATOM 0 H MET A 18 8.646 15.469 1.534 1.00 0.00 H new ATOM 0 HA MET A 18 10.372 15.104 3.666 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.237 15.395 0.769 1.00 0.00 H new ATOM 0 HB3 MET A 18 12.036 14.469 2.023 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.161 12.885 2.078 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.308 13.827 0.872 1.00 0.00 H new ATOM 0 HE1 MET A 18 11.438 13.592 -2.273 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.695 14.752 -1.146 1.00 0.00 H new ATOM 0 HE3 MET A 18 12.445 14.435 -1.072 1.00 0.00 H new ATOM 248 N THR A 19 10.989 17.730 1.747 1.00 0.00 N ATOM 249 CA THR A 19 11.785 18.922 1.522 1.00 0.00 C ATOM 250 C THR A 19 11.851 19.836 2.752 1.00 0.00 C ATOM 251 O THR A 19 12.936 20.139 3.251 1.00 0.00 O ATOM 252 CB THR A 19 11.211 19.703 0.337 1.00 0.00 C ATOM 253 OG1 THR A 19 10.669 18.790 -0.626 1.00 0.00 O ATOM 254 CG2 THR A 19 12.285 20.527 -0.328 1.00 0.00 C ATOM 0 H THR A 19 10.276 17.572 1.035 1.00 0.00 H new ATOM 0 HA THR A 19 12.803 18.593 1.311 1.00 0.00 H new ATOM 0 HB THR A 19 10.430 20.365 0.710 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.365 18.543 -1.270 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.856 21.074 -1.168 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.700 21.233 0.391 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.076 19.870 -0.689 1.00 0.00 H new ATOM 262 N ASN A 20 10.696 20.259 3.252 1.00 0.00 N ATOM 263 CA ASN A 20 10.657 21.192 4.373 1.00 0.00 C ATOM 264 C ASN A 20 11.052 20.522 5.686 1.00 0.00 C ATOM 265 O ASN A 20 11.453 21.202 6.630 1.00 0.00 O ATOM 266 CB ASN A 20 9.280 21.849 4.503 1.00 0.00 C ATOM 267 CG ASN A 20 8.145 20.877 4.280 1.00 0.00 C ATOM 268 OD1 ASN A 20 7.632 20.859 3.062 1.00 0.00 O flip ATOM 269 ND2 ASN A 20 7.722 20.172 5.194 1.00 0.00 N flip ATOM 0 H ASN A 20 9.781 19.974 2.903 1.00 0.00 H new ATOM 0 HA ASN A 20 11.391 21.969 4.161 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.185 22.290 5.495 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.202 22.664 3.783 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.152 20.222 6.118 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.941 19.537 5.029 1.00 0.00 H new ATOM 276 N ASN A 21 10.954 19.196 5.750 1.00 0.00 N ATOM 277 CA ASN A 21 11.413 18.463 6.927 1.00 0.00 C ATOM 278 C ASN A 21 12.932 18.495 7.008 1.00 0.00 C ATOM 279 O ASN A 21 13.508 18.572 8.092 1.00 0.00 O ATOM 280 CB ASN A 21 10.922 17.012 6.921 1.00 0.00 C ATOM 281 CG ASN A 21 9.586 16.837 7.618 1.00 0.00 C ATOM 282 OD1 ASN A 21 9.529 16.633 8.829 1.00 0.00 O ATOM 283 ND2 ASN A 21 8.507 16.894 6.860 1.00 0.00 N ATOM 0 H ASN A 21 10.565 18.612 5.009 1.00 0.00 H new ATOM 0 HA ASN A 21 10.992 18.955 7.804 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.836 16.667 5.891 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.665 16.380 7.408 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.584 16.767 7.276 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.596 17.065 5.858 1.00 0.00 H new ATOM 290 N LEU A 22 13.576 18.443 5.850 1.00 0.00 N ATOM 291 CA LEU A 22 15.024 18.568 5.775 1.00 0.00 C ATOM 292 C LEU A 22 15.437 19.962 6.230 1.00 0.00 C ATOM 293 O LEU A 22 16.400 20.130 6.980 1.00 0.00 O ATOM 294 CB LEU A 22 15.511 18.312 4.344 1.00 0.00 C ATOM 295 CG LEU A 22 17.021 18.433 4.139 1.00 0.00 C ATOM 296 CD1 LEU A 22 17.762 17.370 4.939 1.00 0.00 C ATOM 297 CD2 LEU A 22 17.369 18.330 2.663 1.00 0.00 C ATOM 0 H LEU A 22 13.117 18.315 4.948 1.00 0.00 H new ATOM 0 HA LEU A 22 15.480 17.825 6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.199 17.312 4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 22 15.012 19.015 3.676 1.00 0.00 H new ATOM 0 HG LEU A 22 17.336 19.412 4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.835 17.475 4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 22 17.541 17.492 5.999 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.442 16.380 4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 22 18.448 18.418 2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 22 17.036 17.367 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.873 19.131 2.115 1.00 0.00 H new ATOM 309 N VAL A 23 14.678 20.955 5.787 1.00 0.00 N ATOM 310 CA VAL A 23 14.929 22.343 6.144 1.00 0.00 C ATOM 311 C VAL A 23 14.739 22.568 7.641 1.00 0.00 C ATOM 312 O VAL A 23 15.584 23.174 8.299 1.00 0.00 O ATOM 313 CB VAL A 23 14.002 23.298 5.362 1.00 0.00 C ATOM 314 CG1 VAL A 23 14.275 24.747 5.741 1.00 0.00 C ATOM 315 CG2 VAL A 23 14.170 23.092 3.865 1.00 0.00 C ATOM 0 H VAL A 23 13.875 20.821 5.173 1.00 0.00 H new ATOM 0 HA VAL A 23 15.964 22.560 5.880 1.00 0.00 H new ATOM 0 HB VAL A 23 12.970 23.069 5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.610 25.402 5.178 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.100 24.883 6.808 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.311 24.995 5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.510 23.773 3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.204 23.292 3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.917 22.063 3.609 1.00 0.00 H new ATOM 325 N GLN A 24 13.642 22.051 8.182 1.00 0.00 N ATOM 326 CA GLN A 24 13.325 22.255 9.590 1.00 0.00 C ATOM 327 C GLN A 24 14.313 21.503 10.479 1.00 0.00 C ATOM 328 O GLN A 24 14.556 21.891 11.616 1.00 0.00 O ATOM 329 CB GLN A 24 11.879 21.836 9.889 1.00 0.00 C ATOM 330 CG GLN A 24 11.617 20.338 9.834 1.00 0.00 C ATOM 331 CD GLN A 24 11.575 19.692 11.205 1.00 0.00 C ATOM 332 OE1 GLN A 24 12.587 19.224 11.727 1.00 0.00 O ATOM 333 NE2 GLN A 24 10.394 19.663 11.793 1.00 0.00 N ATOM 0 H GLN A 24 12.961 21.490 7.670 1.00 0.00 H new ATOM 0 HA GLN A 24 13.416 23.318 9.812 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.609 22.200 10.880 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.219 22.331 9.177 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.670 20.159 9.325 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.394 19.861 9.237 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.581 20.063 11.324 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.294 19.241 12.716 1.00 0.00 H new ATOM 342 N CYS A 25 14.892 20.440 9.944 1.00 0.00 N ATOM 343 CA CYS A 25 15.878 19.666 10.678 1.00 0.00 C ATOM 344 C CYS A 25 17.238 20.361 10.644 1.00 0.00 C ATOM 345 O CYS A 25 17.907 20.492 11.671 1.00 0.00 O ATOM 346 CB CYS A 25 15.987 18.254 10.094 1.00 0.00 C ATOM 347 SG CYS A 25 17.110 17.146 11.011 1.00 0.00 S ATOM 0 H CYS A 25 14.696 20.094 9.005 1.00 0.00 H new ATOM 0 HA CYS A 25 15.555 19.591 11.716 1.00 0.00 H new ATOM 0 HB2 CYS A 25 14.994 17.806 10.070 1.00 0.00 H new ATOM 0 HB3 CYS A 25 16.330 18.326 9.062 1.00 0.00 H new ATOM 352 N ALA A 26 17.633 20.836 9.467 1.00 0.00 N ATOM 353 CA ALA A 26 18.943 21.446 9.292 1.00 0.00 C ATOM 354 C ALA A 26 19.031 22.820 9.953 1.00 0.00 C ATOM 355 O ALA A 26 20.115 23.258 10.338 1.00 0.00 O ATOM 356 CB ALA A 26 19.284 21.553 7.814 1.00 0.00 C ATOM 0 H ALA A 26 17.063 20.809 8.621 1.00 0.00 H new ATOM 0 HA ALA A 26 19.669 20.799 9.784 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.266 22.011 7.699 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.294 20.558 7.370 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.537 22.167 7.312 1.00 0.00 H new ATOM 362 N SER A 27 17.895 23.488 10.100 1.00 0.00 N ATOM 363 CA SER A 27 17.869 24.827 10.677 1.00 0.00 C ATOM 364 C SER A 27 18.197 24.802 12.167 1.00 0.00 C ATOM 365 O SER A 27 18.944 25.642 12.660 1.00 0.00 O ATOM 366 CB SER A 27 16.507 25.484 10.441 1.00 0.00 C ATOM 367 OG SER A 27 15.453 24.593 10.755 1.00 0.00 O ATOM 0 H SER A 27 16.981 23.126 9.829 1.00 0.00 H new ATOM 0 HA SER A 27 18.637 25.418 10.178 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.422 26.383 11.052 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.426 25.797 9.400 1.00 0.00 H new ATOM 0 HG SER A 27 15.291 23.997 9.994 1.00 0.00 H new ATOM 373 N ARG A 28 17.665 23.823 12.879 1.00 0.00 N ATOM 374 CA ARG A 28 17.904 23.732 14.311 1.00 0.00 C ATOM 375 C ARG A 28 18.889 22.620 14.638 1.00 0.00 C ATOM 376 O ARG A 28 18.979 22.168 15.780 1.00 0.00 O ATOM 377 CB ARG A 28 16.587 23.564 15.074 1.00 0.00 C ATOM 378 CG ARG A 28 15.594 22.597 14.447 1.00 0.00 C ATOM 379 CD ARG A 28 16.095 21.168 14.472 1.00 0.00 C ATOM 380 NE ARG A 28 15.099 20.229 13.969 1.00 0.00 N ATOM 381 CZ ARG A 28 15.109 18.923 14.220 1.00 0.00 C ATOM 382 NH1 ARG A 28 16.025 18.407 15.035 1.00 0.00 N ATOM 383 NH2 ARG A 28 14.199 18.136 13.663 1.00 0.00 N ATOM 0 H ARG A 28 17.071 23.087 12.496 1.00 0.00 H new ATOM 0 HA ARG A 28 18.357 24.668 14.637 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.812 23.224 16.085 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.111 24.540 15.165 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.645 22.657 14.980 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.401 22.895 13.416 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.001 21.091 13.871 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.366 20.897 15.492 1.00 0.00 H new ATOM 0 HE ARG A 28 14.346 20.598 13.387 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.721 19.013 15.469 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.031 17.405 15.226 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.493 18.532 13.043 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.205 17.134 13.854 1.00 0.00 H new ATOM 397 N SER A 29 19.637 22.199 13.630 1.00 0.00 N ATOM 398 CA SER A 29 20.661 21.187 13.809 1.00 0.00 C ATOM 399 C SER A 29 21.753 21.707 14.741 1.00 0.00 C ATOM 400 O SER A 29 22.096 21.077 15.739 1.00 0.00 O ATOM 401 CB SER A 29 21.265 20.805 12.459 1.00 0.00 C ATOM 402 OG SER A 29 21.851 21.933 11.823 1.00 0.00 O ATOM 0 H SER A 29 19.551 22.546 12.675 1.00 0.00 H new ATOM 0 HA SER A 29 20.207 20.302 14.255 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.019 20.031 12.601 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.492 20.383 11.817 1.00 0.00 H new ATOM 0 HG SER A 29 21.259 22.250 11.109 1.00 0.00 H new ATOM 408 N GLY A 30 22.286 22.871 14.399 1.00 0.00 N ATOM 409 CA GLY A 30 23.309 23.490 15.206 1.00 0.00 C ATOM 410 C GLY A 30 24.657 23.442 14.527 1.00 0.00 C ATOM 411 O GLY A 30 25.634 23.999 15.025 1.00 0.00 O ATOM 0 H GLY A 30 22.023 23.400 13.568 1.00 0.00 H new ATOM 0 HA2 GLY A 30 23.038 24.527 15.406 1.00 0.00 H new ATOM 0 HA3 GLY A 30 23.368 22.985 16.170 1.00 0.00 H new ATOM 415 N VAL A 31 24.711 22.774 13.383 1.00 0.00 N ATOM 416 CA VAL A 31 25.961 22.615 12.664 1.00 0.00 C ATOM 417 C VAL A 31 26.045 23.582 11.479 1.00 0.00 C ATOM 418 O VAL A 31 27.130 24.035 11.113 1.00 0.00 O ATOM 419 CB VAL A 31 26.147 21.153 12.200 1.00 0.00 C ATOM 420 CG1 VAL A 31 25.274 20.816 11.006 1.00 0.00 C ATOM 421 CG2 VAL A 31 27.606 20.874 11.898 1.00 0.00 C ATOM 0 H VAL A 31 23.905 22.336 12.937 1.00 0.00 H new ATOM 0 HA VAL A 31 26.774 22.858 13.349 1.00 0.00 H new ATOM 0 HB VAL A 31 25.829 20.508 13.019 1.00 0.00 H new ATOM 0 HG11 VAL A 31 25.439 19.778 10.716 1.00 0.00 H new ATOM 0 HG12 VAL A 31 24.226 20.957 11.270 1.00 0.00 H new ATOM 0 HG13 VAL A 31 25.529 21.471 10.173 1.00 0.00 H new ATOM 0 HG21 VAL A 31 27.719 19.840 11.573 1.00 0.00 H new ATOM 0 HG22 VAL A 31 27.948 21.542 11.108 1.00 0.00 H new ATOM 0 HG23 VAL A 31 28.201 21.039 12.796 1.00 0.00 H new ATOM 431 N LEU A 32 24.895 23.905 10.892 1.00 0.00 N ATOM 432 CA LEU A 32 24.837 24.917 9.842 1.00 0.00 C ATOM 433 C LEU A 32 24.834 26.300 10.473 1.00 0.00 C ATOM 434 O LEU A 32 24.646 26.434 11.683 1.00 0.00 O ATOM 435 CB LEU A 32 23.583 24.766 8.961 1.00 0.00 C ATOM 436 CG LEU A 32 23.551 23.560 8.013 1.00 0.00 C ATOM 437 CD1 LEU A 32 23.142 22.297 8.747 1.00 0.00 C ATOM 438 CD2 LEU A 32 22.607 23.824 6.848 1.00 0.00 C ATOM 0 H LEU A 32 23.996 23.483 11.124 1.00 0.00 H new ATOM 0 HA LEU A 32 25.713 24.784 9.207 1.00 0.00 H new ATOM 0 HB2 LEU A 32 22.712 24.709 9.614 1.00 0.00 H new ATOM 0 HB3 LEU A 32 23.475 25.672 8.364 1.00 0.00 H new ATOM 0 HG LEU A 32 24.558 23.413 7.623 1.00 0.00 H new ATOM 0 HD11 LEU A 32 23.128 21.459 8.050 1.00 0.00 H new ATOM 0 HD12 LEU A 32 23.855 22.093 9.545 1.00 0.00 H new ATOM 0 HD13 LEU A 32 22.148 22.430 9.174 1.00 0.00 H new ATOM 0 HD21 LEU A 32 22.596 22.959 6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 32 21.601 24.003 7.228 1.00 0.00 H new ATOM 0 HD23 LEU A 32 22.947 24.700 6.296 1.00 0.00 H new ATOM 450 N THR A 33 25.039 27.328 9.669 1.00 0.00 N ATOM 451 CA THR A 33 24.937 28.685 10.169 1.00 0.00 C ATOM 452 C THR A 33 23.620 29.303 9.718 1.00 0.00 C ATOM 453 O THR A 33 22.958 28.778 8.816 1.00 0.00 O ATOM 454 CB THR A 33 26.129 29.567 9.720 1.00 0.00 C ATOM 455 OG1 THR A 33 26.004 30.892 10.257 1.00 0.00 O ATOM 456 CG2 THR A 33 26.233 29.637 8.205 1.00 0.00 C ATOM 0 H THR A 33 25.274 27.250 8.680 1.00 0.00 H new ATOM 0 HA THR A 33 24.966 28.639 11.258 1.00 0.00 H new ATOM 0 HB THR A 33 27.039 29.105 10.104 1.00 0.00 H new ATOM 0 HG1 THR A 33 26.765 31.436 9.966 1.00 0.00 H new ATOM 0 HG21 THR A 33 27.080 30.264 7.927 1.00 0.00 H new ATOM 0 HG22 THR A 33 26.377 28.634 7.803 1.00 0.00 H new ATOM 0 HG23 THR A 33 25.317 30.063 7.797 1.00 0.00 H new ATOM 464 N ALA A 34 23.233 30.398 10.356 1.00 0.00 N ATOM 465 CA ALA A 34 22.000 31.095 10.020 1.00 0.00 C ATOM 466 C ALA A 34 21.988 31.477 8.547 1.00 0.00 C ATOM 467 O ALA A 34 20.961 31.391 7.877 1.00 0.00 O ATOM 468 CB ALA A 34 21.840 32.329 10.890 1.00 0.00 C ATOM 0 H ALA A 34 23.761 30.826 11.116 1.00 0.00 H new ATOM 0 HA ALA A 34 21.160 30.426 10.208 1.00 0.00 H new ATOM 0 HB1 ALA A 34 20.914 32.841 10.628 1.00 0.00 H new ATOM 0 HB2 ALA A 34 21.807 32.033 11.939 1.00 0.00 H new ATOM 0 HB3 ALA A 34 22.684 33.000 10.728 1.00 0.00 H new ATOM 474 N ASP A 35 23.160 31.835 8.038 1.00 0.00 N ATOM 475 CA ASP A 35 23.308 32.267 6.653 1.00 0.00 C ATOM 476 C ASP A 35 23.553 31.074 5.738 1.00 0.00 C ATOM 477 O ASP A 35 24.120 31.202 4.654 1.00 0.00 O ATOM 478 CB ASP A 35 24.453 33.272 6.542 1.00 0.00 C ATOM 479 CG ASP A 35 24.173 34.542 7.316 1.00 0.00 C ATOM 480 OD1 ASP A 35 23.562 35.467 6.740 1.00 0.00 O ATOM 481 OD2 ASP A 35 24.543 34.611 8.507 1.00 0.00 O ATOM 0 H ASP A 35 24.031 31.835 8.570 1.00 0.00 H new ATOM 0 HA ASP A 35 22.383 32.749 6.337 1.00 0.00 H new ATOM 0 HB2 ASP A 35 25.371 32.817 6.913 1.00 0.00 H new ATOM 0 HB3 ASP A 35 24.620 33.517 5.493 1.00 0.00 H new ATOM 486 N GLN A 36 23.121 29.912 6.197 1.00 0.00 N ATOM 487 CA GLN A 36 23.209 28.688 5.422 1.00 0.00 C ATOM 488 C GLN A 36 21.887 27.934 5.518 1.00 0.00 C ATOM 489 O GLN A 36 21.402 27.363 4.544 1.00 0.00 O ATOM 490 CB GLN A 36 24.362 27.829 5.944 1.00 0.00 C ATOM 491 CG GLN A 36 24.683 26.624 5.080 1.00 0.00 C ATOM 492 CD GLN A 36 25.830 25.802 5.632 1.00 0.00 C ATOM 493 OE1 GLN A 36 26.045 25.751 6.843 1.00 0.00 O ATOM 494 NE2 GLN A 36 26.571 25.152 4.749 1.00 0.00 N ATOM 0 H GLN A 36 22.699 29.791 7.118 1.00 0.00 H new ATOM 0 HA GLN A 36 23.403 28.925 4.376 1.00 0.00 H new ATOM 0 HB2 GLN A 36 25.254 28.450 6.027 1.00 0.00 H new ATOM 0 HB3 GLN A 36 24.118 27.486 6.949 1.00 0.00 H new ATOM 0 HG2 GLN A 36 23.797 25.995 4.996 1.00 0.00 H new ATOM 0 HG3 GLN A 36 24.932 26.959 4.073 1.00 0.00 H new ATOM 0 HE21 GLN A 36 26.358 25.222 3.754 1.00 0.00 H new ATOM 0 HE22 GLN A 36 27.356 24.581 5.063 1.00 0.00 H new ATOM 503 N MET A 37 21.301 27.959 6.706 1.00 0.00 N ATOM 504 CA MET A 37 20.017 27.312 6.951 1.00 0.00 C ATOM 505 C MET A 37 18.868 28.122 6.355 1.00 0.00 C ATOM 506 O MET A 37 17.813 27.576 6.040 1.00 0.00 O ATOM 507 CB MET A 37 19.797 27.135 8.455 1.00 0.00 C ATOM 508 CG MET A 37 19.743 28.451 9.218 1.00 0.00 C ATOM 509 SD MET A 37 19.647 28.244 11.006 1.00 0.00 S ATOM 510 CE MET A 37 21.173 27.363 11.333 1.00 0.00 C ATOM 0 H MET A 37 21.697 28.424 7.523 1.00 0.00 H new ATOM 0 HA MET A 37 20.035 26.335 6.468 1.00 0.00 H new ATOM 0 HB2 MET A 37 18.866 26.591 8.617 1.00 0.00 H new ATOM 0 HB3 MET A 37 20.600 26.520 8.862 1.00 0.00 H new ATOM 0 HG2 MET A 37 20.628 29.039 8.976 1.00 0.00 H new ATOM 0 HG3 MET A 37 18.879 29.022 8.880 1.00 0.00 H new ATOM 0 HE1 MET A 37 20.949 26.322 11.568 1.00 0.00 H new ATOM 0 HE2 MET A 37 21.814 27.406 10.452 1.00 0.00 H new ATOM 0 HE3 MET A 37 21.685 27.824 12.178 1.00 0.00 H new ATOM 520 N ASP A 38 19.075 29.423 6.202 1.00 0.00 N ATOM 521 CA ASP A 38 18.032 30.305 5.688 1.00 0.00 C ATOM 522 C ASP A 38 17.821 30.072 4.199 1.00 0.00 C ATOM 523 O ASP A 38 16.692 30.089 3.707 1.00 0.00 O ATOM 524 CB ASP A 38 18.399 31.765 5.955 1.00 0.00 C ATOM 525 CG ASP A 38 17.323 32.736 5.516 1.00 0.00 C ATOM 526 OD1 ASP A 38 16.213 32.704 6.094 1.00 0.00 O ATOM 527 OD2 ASP A 38 17.594 33.561 4.621 1.00 0.00 O ATOM 0 H ASP A 38 19.953 29.892 6.425 1.00 0.00 H new ATOM 0 HA ASP A 38 17.099 30.079 6.204 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.587 31.897 7.020 1.00 0.00 H new ATOM 0 HB3 ASP A 38 19.328 32.001 5.435 1.00 0.00 H new ATOM 532 N ASP A 39 18.913 29.824 3.492 1.00 0.00 N ATOM 533 CA ASP A 39 18.856 29.544 2.060 1.00 0.00 C ATOM 534 C ASP A 39 18.158 28.214 1.802 1.00 0.00 C ATOM 535 O ASP A 39 17.578 28.003 0.737 1.00 0.00 O ATOM 536 CB ASP A 39 20.262 29.529 1.459 1.00 0.00 C ATOM 537 CG ASP A 39 20.941 30.882 1.549 1.00 0.00 C ATOM 538 OD1 ASP A 39 21.427 31.236 2.647 1.00 0.00 O ATOM 539 OD2 ASP A 39 20.986 31.600 0.527 1.00 0.00 O ATOM 0 H ASP A 39 19.854 29.810 3.886 1.00 0.00 H new ATOM 0 HA ASP A 39 18.282 30.336 1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 39 20.868 28.786 1.977 1.00 0.00 H new ATOM 0 HB3 ASP A 39 20.205 29.222 0.415 1.00 0.00 H new ATOM 544 N MET A 40 18.205 27.331 2.794 1.00 0.00 N ATOM 545 CA MET A 40 17.508 26.048 2.727 1.00 0.00 C ATOM 546 C MET A 40 16.008 26.265 2.552 1.00 0.00 C ATOM 547 O MET A 40 15.331 25.489 1.880 1.00 0.00 O ATOM 548 CB MET A 40 17.767 25.234 3.998 1.00 0.00 C ATOM 549 CG MET A 40 19.191 24.714 4.126 1.00 0.00 C ATOM 550 SD MET A 40 19.500 23.257 3.109 1.00 0.00 S ATOM 551 CE MET A 40 18.445 22.052 3.915 1.00 0.00 C ATOM 0 H MET A 40 18.722 27.481 3.660 1.00 0.00 H new ATOM 0 HA MET A 40 17.889 25.496 1.867 1.00 0.00 H new ATOM 0 HB2 MET A 40 17.539 25.853 4.865 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.080 24.388 4.021 1.00 0.00 H new ATOM 0 HG2 MET A 40 19.887 25.503 3.843 1.00 0.00 H new ATOM 0 HG3 MET A 40 19.392 24.472 5.170 1.00 0.00 H new ATOM 0 HE1 MET A 40 18.856 21.053 3.769 1.00 0.00 H new ATOM 0 HE2 MET A 40 18.392 22.271 4.982 1.00 0.00 H new ATOM 0 HE3 MET A 40 17.445 22.099 3.485 1.00 0.00 H new ATOM 561 N GLY A 41 15.501 27.340 3.148 1.00 0.00 N ATOM 562 CA GLY A 41 14.089 27.651 3.051 1.00 0.00 C ATOM 563 C GLY A 41 13.656 27.933 1.624 1.00 0.00 C ATOM 564 O GLY A 41 12.679 27.365 1.137 1.00 0.00 O ATOM 0 H GLY A 41 16.047 28.003 3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.508 26.818 3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 41 13.867 28.518 3.673 1.00 0.00 H new ATOM 568 N MET A 42 14.405 28.793 0.942 1.00 0.00 N ATOM 569 CA MET A 42 14.079 29.169 -0.429 1.00 0.00 C ATOM 570 C MET A 42 14.472 28.061 -1.403 1.00 0.00 C ATOM 571 O MET A 42 13.992 28.018 -2.537 1.00 0.00 O ATOM 572 CB MET A 42 14.761 30.488 -0.799 1.00 0.00 C ATOM 573 CG MET A 42 16.275 30.405 -0.834 1.00 0.00 C ATOM 574 SD MET A 42 17.055 32.019 -1.016 1.00 0.00 S ATOM 575 CE MET A 42 16.560 32.802 0.520 1.00 0.00 C ATOM 0 H MET A 42 15.241 29.242 1.316 1.00 0.00 H new ATOM 0 HA MET A 42 13.001 29.311 -0.499 1.00 0.00 H new ATOM 0 HB2 MET A 42 14.401 30.811 -1.776 1.00 0.00 H new ATOM 0 HB3 MET A 42 14.465 31.253 -0.082 1.00 0.00 H new ATOM 0 HG2 MET A 42 16.630 29.935 0.083 1.00 0.00 H new ATOM 0 HG3 MET A 42 16.581 29.763 -1.660 1.00 0.00 H new ATOM 0 HE1 MET A 42 17.417 33.310 0.962 1.00 0.00 H new ATOM 0 HE2 MET A 42 15.771 33.528 0.321 1.00 0.00 H new ATOM 0 HE3 MET A 42 16.190 32.045 1.212 1.00 0.00 H new ATOM 585 N MET A 43 15.343 27.164 -0.951 1.00 0.00 N ATOM 586 CA MET A 43 15.700 25.985 -1.728 1.00 0.00 C ATOM 587 C MET A 43 14.465 25.113 -1.926 1.00 0.00 C ATOM 588 O MET A 43 14.196 24.642 -3.032 1.00 0.00 O ATOM 589 CB MET A 43 16.821 25.208 -1.015 1.00 0.00 C ATOM 590 CG MET A 43 17.179 23.865 -1.647 1.00 0.00 C ATOM 591 SD MET A 43 16.039 22.531 -1.206 1.00 0.00 S ATOM 592 CE MET A 43 16.207 22.490 0.578 1.00 0.00 C ATOM 0 H MET A 43 15.814 27.233 -0.049 1.00 0.00 H new ATOM 0 HA MET A 43 16.069 26.287 -2.708 1.00 0.00 H new ATOM 0 HB2 MET A 43 17.715 25.831 -0.991 1.00 0.00 H new ATOM 0 HB3 MET A 43 16.523 25.038 0.020 1.00 0.00 H new ATOM 0 HG2 MET A 43 17.194 23.975 -2.731 1.00 0.00 H new ATOM 0 HG3 MET A 43 18.187 23.586 -1.341 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.157 21.458 0.924 1.00 0.00 H new ATOM 0 HE2 MET A 43 17.166 22.923 0.863 1.00 0.00 H new ATOM 0 HE3 MET A 43 15.400 23.065 1.033 1.00 0.00 H new ATOM 602 N ALA A 44 13.701 24.938 -0.850 1.00 0.00 N ATOM 603 CA ALA A 44 12.485 24.132 -0.885 1.00 0.00 C ATOM 604 C ALA A 44 11.489 24.687 -1.896 1.00 0.00 C ATOM 605 O ALA A 44 10.738 23.936 -2.524 1.00 0.00 O ATOM 606 CB ALA A 44 11.860 24.070 0.501 1.00 0.00 C ATOM 0 H ALA A 44 13.905 25.347 0.062 1.00 0.00 H new ATOM 0 HA ALA A 44 12.751 23.122 -1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.953 23.466 0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.567 23.621 1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 44 11.612 25.078 0.834 1.00 0.00 H new ATOM 612 N ASP A 45 11.505 26.007 -2.054 1.00 0.00 N ATOM 613 CA ASP A 45 10.639 26.685 -3.013 1.00 0.00 C ATOM 614 C ASP A 45 10.955 26.230 -4.435 1.00 0.00 C ATOM 615 O ASP A 45 10.055 25.954 -5.232 1.00 0.00 O ATOM 616 CB ASP A 45 10.812 28.200 -2.900 1.00 0.00 C ATOM 617 CG ASP A 45 9.989 28.968 -3.916 1.00 0.00 C ATOM 618 OD1 ASP A 45 10.491 29.206 -5.038 1.00 0.00 O ATOM 619 OD2 ASP A 45 8.847 29.353 -3.595 1.00 0.00 O ATOM 0 H ASP A 45 12.113 26.633 -1.526 1.00 0.00 H new ATOM 0 HA ASP A 45 9.605 26.427 -2.786 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.530 28.518 -1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.865 28.451 -3.029 1.00 0.00 H new ATOM 624 N SER A 46 12.241 26.121 -4.730 1.00 0.00 N ATOM 625 CA SER A 46 12.696 25.721 -6.052 1.00 0.00 C ATOM 626 C SER A 46 12.336 24.259 -6.325 1.00 0.00 C ATOM 627 O SER A 46 12.107 23.865 -7.472 1.00 0.00 O ATOM 628 CB SER A 46 14.209 25.932 -6.159 1.00 0.00 C ATOM 629 OG SER A 46 14.682 25.670 -7.468 1.00 0.00 O ATOM 0 H SER A 46 12.993 26.306 -4.066 1.00 0.00 H new ATOM 0 HA SER A 46 12.197 26.336 -6.801 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.454 26.957 -5.882 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.719 25.279 -5.450 1.00 0.00 H new ATOM 0 HG SER A 46 15.542 25.203 -7.418 1.00 0.00 H new ATOM 635 N VAL A 47 12.273 23.464 -5.262 1.00 0.00 N ATOM 636 CA VAL A 47 11.977 22.041 -5.383 1.00 0.00 C ATOM 637 C VAL A 47 10.567 21.803 -5.910 1.00 0.00 C ATOM 638 O VAL A 47 10.386 21.114 -6.912 1.00 0.00 O ATOM 639 CB VAL A 47 12.152 21.309 -4.037 1.00 0.00 C ATOM 640 CG1 VAL A 47 11.849 19.822 -4.180 1.00 0.00 C ATOM 641 CG2 VAL A 47 13.558 21.521 -3.507 1.00 0.00 C ATOM 0 H VAL A 47 12.423 23.782 -4.305 1.00 0.00 H new ATOM 0 HA VAL A 47 12.692 21.636 -6.099 1.00 0.00 H new ATOM 0 HB VAL A 47 11.442 21.727 -3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.980 19.330 -3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.821 19.691 -4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.529 19.381 -4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.671 21.000 -2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.280 21.129 -4.224 1.00 0.00 H new ATOM 0 HG23 VAL A 47 13.735 22.587 -3.360 1.00 0.00 H new ATOM 651 N ASN A 48 9.565 22.387 -5.252 1.00 0.00 N ATOM 652 CA ASN A 48 8.181 22.171 -5.654 1.00 0.00 C ATOM 653 C ASN A 48 7.910 22.778 -7.025 1.00 0.00 C ATOM 654 O ASN A 48 7.018 22.325 -7.746 1.00 0.00 O ATOM 655 CB ASN A 48 7.191 22.725 -4.618 1.00 0.00 C ATOM 656 CG ASN A 48 7.370 24.202 -4.328 1.00 0.00 C ATOM 657 OD1 ASN A 48 8.025 24.510 -3.221 1.00 0.00 O flip ATOM 658 ND2 ASN A 48 6.891 25.055 -5.070 1.00 0.00 N flip ATOM 0 H ASN A 48 9.686 23.005 -4.449 1.00 0.00 H new ATOM 0 HA ASN A 48 8.030 21.093 -5.714 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.175 22.555 -4.973 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.301 22.166 -3.689 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.393 24.775 -5.915 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.991 26.044 -4.842 1.00 0.00 H new ATOM 665 N SER A 49 8.689 23.786 -7.392 1.00 0.00 N ATOM 666 CA SER A 49 8.584 24.388 -8.694 1.00 0.00 C ATOM 667 C SER A 49 8.939 23.374 -9.784 1.00 0.00 C ATOM 668 O SER A 49 8.134 23.093 -10.669 1.00 0.00 O ATOM 669 CB SER A 49 9.510 25.598 -8.750 1.00 0.00 C ATOM 670 OG SER A 49 9.153 26.557 -7.764 1.00 0.00 O ATOM 0 H SER A 49 9.404 24.200 -6.793 1.00 0.00 H new ATOM 0 HA SER A 49 7.558 24.711 -8.870 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.541 25.279 -8.596 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.461 26.053 -9.739 1.00 0.00 H new ATOM 0 HG SER A 49 9.504 26.277 -6.893 1.00 0.00 H new ATOM 676 N GLN A 50 10.131 22.794 -9.679 1.00 0.00 N ATOM 677 CA GLN A 50 10.620 21.839 -10.670 1.00 0.00 C ATOM 678 C GLN A 50 9.843 20.523 -10.609 1.00 0.00 C ATOM 679 O GLN A 50 9.623 19.870 -11.630 1.00 0.00 O ATOM 680 CB GLN A 50 12.112 21.576 -10.439 1.00 0.00 C ATOM 681 CG GLN A 50 12.983 22.813 -10.602 1.00 0.00 C ATOM 682 CD GLN A 50 14.415 22.583 -10.156 1.00 0.00 C ATOM 683 OE1 GLN A 50 15.264 22.156 -10.940 1.00 0.00 O ATOM 684 NE2 GLN A 50 14.697 22.880 -8.896 1.00 0.00 N ATOM 0 H GLN A 50 10.780 22.970 -8.912 1.00 0.00 H new ATOM 0 HA GLN A 50 10.471 22.270 -11.660 1.00 0.00 H new ATOM 0 HB2 GLN A 50 12.250 21.175 -9.435 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.449 20.810 -11.137 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.977 23.121 -11.647 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.554 23.633 -10.026 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.965 23.231 -8.279 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.646 22.757 -8.543 1.00 0.00 H new ATOM 693 N MET A 51 9.417 20.160 -9.405 1.00 0.00 N ATOM 694 CA MET A 51 8.767 18.877 -9.155 1.00 0.00 C ATOM 695 C MET A 51 7.397 18.796 -9.816 1.00 0.00 C ATOM 696 O MET A 51 7.120 17.866 -10.566 1.00 0.00 O ATOM 697 CB MET A 51 8.625 18.648 -7.647 1.00 0.00 C ATOM 698 CG MET A 51 7.984 17.318 -7.284 1.00 0.00 C ATOM 699 SD MET A 51 6.399 17.519 -6.451 1.00 0.00 S ATOM 700 CE MET A 51 6.901 18.355 -4.950 1.00 0.00 C ATOM 0 H MET A 51 9.512 20.745 -8.575 1.00 0.00 H new ATOM 0 HA MET A 51 9.395 18.100 -9.591 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.611 18.702 -7.187 1.00 0.00 H new ATOM 0 HB3 MET A 51 8.029 19.456 -7.221 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.842 16.728 -8.189 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.660 16.756 -6.640 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.891 17.649 -4.120 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.908 18.754 -5.075 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.211 19.172 -4.740 1.00 0.00 H new ATOM 710 N GLN A 52 6.544 19.774 -9.542 1.00 0.00 N ATOM 711 CA GLN A 52 5.176 19.740 -10.042 1.00 0.00 C ATOM 712 C GLN A 52 5.141 19.862 -11.563 1.00 0.00 C ATOM 713 O GLN A 52 4.271 19.293 -12.219 1.00 0.00 O ATOM 714 CB GLN A 52 4.340 20.849 -9.406 1.00 0.00 C ATOM 715 CG GLN A 52 4.229 20.733 -7.895 1.00 0.00 C ATOM 716 CD GLN A 52 3.325 21.792 -7.303 1.00 0.00 C ATOM 717 OE1 GLN A 52 2.123 21.579 -7.151 1.00 0.00 O ATOM 718 NE2 GLN A 52 3.892 22.941 -6.977 1.00 0.00 N ATOM 0 H GLN A 52 6.772 20.595 -8.981 1.00 0.00 H new ATOM 0 HA GLN A 52 4.748 18.776 -9.767 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.780 21.814 -9.657 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.340 20.832 -9.838 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.847 19.746 -7.636 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.222 20.817 -7.452 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.893 23.074 -7.120 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.328 23.694 -6.582 1.00 0.00 H new ATOM 727 N LYS A 53 6.091 20.608 -12.119 1.00 0.00 N ATOM 728 CA LYS A 53 6.207 20.766 -13.557 1.00 0.00 C ATOM 729 C LYS A 53 6.601 19.466 -14.261 1.00 0.00 C ATOM 730 O LYS A 53 6.598 19.407 -15.492 1.00 0.00 O ATOM 731 CB LYS A 53 7.219 21.865 -13.869 1.00 0.00 C ATOM 732 CG LYS A 53 6.628 23.273 -13.923 1.00 0.00 C ATOM 733 CD LYS A 53 5.867 23.670 -12.661 1.00 0.00 C ATOM 734 CE LYS A 53 4.371 23.404 -12.793 1.00 0.00 C ATOM 735 NZ LYS A 53 3.612 23.875 -11.604 1.00 0.00 N ATOM 0 H LYS A 53 6.796 21.116 -11.585 1.00 0.00 H new ATOM 0 HA LYS A 53 5.225 21.045 -13.938 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.005 21.843 -13.114 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.691 21.646 -14.827 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.433 23.989 -14.091 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.956 23.342 -14.778 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.261 23.115 -11.810 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.031 24.728 -12.455 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.992 23.902 -13.685 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.204 22.336 -12.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.654 23.471 -11.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.100 23.570 -10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.551 24.913 -11.620 1.00 0.00 H new ATOM 749 N MET A 54 6.949 18.432 -13.499 1.00 0.00 N ATOM 750 CA MET A 54 7.209 17.131 -14.083 1.00 0.00 C ATOM 751 C MET A 54 5.909 16.508 -14.595 1.00 0.00 C ATOM 752 O MET A 54 5.898 15.823 -15.622 1.00 0.00 O ATOM 753 CB MET A 54 7.872 16.211 -13.063 1.00 0.00 C ATOM 754 CG MET A 54 9.310 16.582 -12.734 1.00 0.00 C ATOM 755 SD MET A 54 10.205 15.242 -11.915 1.00 0.00 S ATOM 756 CE MET A 54 9.267 15.050 -10.400 1.00 0.00 C ATOM 0 H MET A 54 7.055 18.474 -12.485 1.00 0.00 H new ATOM 0 HA MET A 54 7.889 17.260 -14.925 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.286 16.223 -12.144 1.00 0.00 H new ATOM 0 HB3 MET A 54 7.849 15.189 -13.442 1.00 0.00 H new ATOM 0 HG2 MET A 54 9.830 16.853 -13.653 1.00 0.00 H new ATOM 0 HG3 MET A 54 9.316 17.463 -12.092 1.00 0.00 H new ATOM 0 HE1 MET A 54 9.914 14.651 -9.619 1.00 0.00 H new ATOM 0 HE2 MET A 54 8.877 16.019 -10.088 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.438 14.363 -10.570 1.00 0.00 H new ATOM 766 N GLY A 55 4.814 16.770 -13.890 1.00 0.00 N ATOM 767 CA GLY A 55 3.524 16.255 -14.301 1.00 0.00 C ATOM 768 C GLY A 55 2.895 15.364 -13.248 1.00 0.00 C ATOM 769 O GLY A 55 3.559 14.974 -12.290 1.00 0.00 O ATOM 0 H GLY A 55 4.798 17.332 -13.039 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.855 17.088 -14.515 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.639 15.692 -15.228 1.00 0.00 H new ATOM 773 N PRO A 56 1.600 15.027 -13.401 1.00 0.00 N ATOM 774 CA PRO A 56 0.888 14.138 -12.469 1.00 0.00 C ATOM 775 C PRO A 56 1.312 12.692 -12.621 1.00 0.00 C ATOM 776 O PRO A 56 1.037 11.849 -11.765 1.00 0.00 O ATOM 777 CB PRO A 56 -0.574 14.299 -12.879 1.00 0.00 C ATOM 778 CG PRO A 56 -0.515 14.656 -14.324 1.00 0.00 C ATOM 779 CD PRO A 56 0.720 15.501 -14.486 1.00 0.00 C ATOM 0 HA PRO A 56 1.089 14.393 -11.428 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.135 13.378 -12.720 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.067 15.078 -12.297 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.462 13.762 -14.946 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.407 15.204 -14.628 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.178 15.361 -15.465 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.496 16.563 -14.388 1.00 0.00 H new ATOM 787 N ASN A 57 1.984 12.422 -13.716 1.00 0.00 N ATOM 788 CA ASN A 57 2.410 11.084 -14.045 1.00 0.00 C ATOM 789 C ASN A 57 3.775 11.145 -14.715 1.00 0.00 C ATOM 790 O ASN A 57 3.889 11.052 -15.938 1.00 0.00 O ATOM 791 CB ASN A 57 1.381 10.435 -14.961 1.00 0.00 C ATOM 792 CG ASN A 57 1.445 8.923 -14.930 1.00 0.00 C ATOM 793 OD1 ASN A 57 2.191 8.295 -15.683 1.00 0.00 O ATOM 794 ND2 ASN A 57 0.651 8.329 -14.056 1.00 0.00 N ATOM 0 H ASN A 57 2.251 13.126 -14.404 1.00 0.00 H new ATOM 0 HA ASN A 57 2.492 10.482 -13.140 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.383 10.759 -14.667 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.540 10.781 -15.982 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.640 7.311 -13.986 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.049 8.888 -13.451 1.00 0.00 H new ATOM 801 N PRO A 58 4.819 11.372 -13.912 1.00 0.00 N ATOM 802 CA PRO A 58 6.179 11.529 -14.412 1.00 0.00 C ATOM 803 C PRO A 58 6.839 10.197 -14.762 1.00 0.00 C ATOM 804 O PRO A 58 6.843 9.259 -13.962 1.00 0.00 O ATOM 805 CB PRO A 58 6.896 12.202 -13.242 1.00 0.00 C ATOM 806 CG PRO A 58 6.177 11.716 -12.030 1.00 0.00 C ATOM 807 CD PRO A 58 4.747 11.502 -12.444 1.00 0.00 C ATOM 0 HA PRO A 58 6.213 12.099 -15.341 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.951 11.929 -13.213 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.850 13.288 -13.321 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.618 10.790 -11.662 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.243 12.444 -11.221 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.327 10.608 -11.984 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.115 12.339 -12.147 1.00 0.00 H new ATOM 815 N PRO A 59 7.391 10.094 -15.980 1.00 0.00 N ATOM 816 CA PRO A 59 8.127 8.910 -16.407 1.00 0.00 C ATOM 817 C PRO A 59 9.511 8.845 -15.765 1.00 0.00 C ATOM 818 O PRO A 59 9.989 9.831 -15.193 1.00 0.00 O ATOM 819 CB PRO A 59 8.231 9.082 -17.921 1.00 0.00 C ATOM 820 CG PRO A 59 8.176 10.552 -18.138 1.00 0.00 C ATOM 821 CD PRO A 59 7.321 11.117 -17.036 1.00 0.00 C ATOM 0 HA PRO A 59 7.633 7.983 -16.115 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.160 8.659 -18.305 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.414 8.575 -18.434 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.176 10.985 -18.113 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.752 10.784 -19.115 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.700 12.078 -16.688 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.296 11.280 -17.368 1.00 0.00 H new ATOM 829 N GLN A 60 10.161 7.693 -15.890 1.00 0.00 N ATOM 830 CA GLN A 60 11.402 7.406 -15.169 1.00 0.00 C ATOM 831 C GLN A 60 12.493 8.444 -15.438 1.00 0.00 C ATOM 832 O GLN A 60 13.249 8.797 -14.532 1.00 0.00 O ATOM 833 CB GLN A 60 11.920 6.004 -15.516 1.00 0.00 C ATOM 834 CG GLN A 60 11.144 4.862 -14.867 1.00 0.00 C ATOM 835 CD GLN A 60 9.734 4.700 -15.409 1.00 0.00 C ATOM 836 OE1 GLN A 60 9.506 3.989 -16.384 1.00 0.00 O ATOM 837 NE2 GLN A 60 8.773 5.347 -14.767 1.00 0.00 N ATOM 0 H GLN A 60 9.846 6.932 -16.492 1.00 0.00 H new ATOM 0 HA GLN A 60 11.161 7.452 -14.107 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.890 5.877 -16.598 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.965 5.932 -15.216 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.691 3.931 -15.016 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.094 5.033 -13.792 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.000 5.929 -13.961 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.805 5.263 -15.079 1.00 0.00 H new ATOM 846 N HIS A 61 12.555 8.956 -16.666 1.00 0.00 N ATOM 847 CA HIS A 61 13.603 9.904 -17.049 1.00 0.00 C ATOM 848 C HIS A 61 13.436 11.241 -16.325 1.00 0.00 C ATOM 849 O HIS A 61 14.331 12.083 -16.345 1.00 0.00 O ATOM 850 CB HIS A 61 13.638 10.114 -18.579 1.00 0.00 C ATOM 851 CG HIS A 61 12.509 10.933 -19.149 1.00 0.00 C ATOM 852 ND1 HIS A 61 12.316 12.276 -19.179 1.00 0.00 N flip ATOM 853 CD2 HIS A 61 11.436 10.386 -19.821 1.00 0.00 C flip ATOM 854 CE1 HIS A 61 11.151 12.510 -19.863 1.00 0.00 C flip ATOM 855 NE2 HIS A 61 10.641 11.355 -20.242 1.00 0.00 N flip ATOM 0 H HIS A 61 11.895 8.732 -17.411 1.00 0.00 H new ATOM 0 HA HIS A 61 14.557 9.473 -16.745 1.00 0.00 H new ATOM 0 HB2 HIS A 61 14.580 10.595 -18.840 1.00 0.00 H new ATOM 0 HB3 HIS A 61 13.634 9.137 -19.062 1.00 0.00 H new ATOM 0 HD2 HIS A 61 11.271 9.330 -19.979 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.722 13.481 -20.059 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.778 11.230 -20.771 1.00 0.00 H new ATOM 863 N ARG A 62 12.285 11.435 -15.691 1.00 0.00 N ATOM 864 CA ARG A 62 12.040 12.647 -14.926 1.00 0.00 C ATOM 865 C ARG A 62 12.418 12.451 -13.464 1.00 0.00 C ATOM 866 O ARG A 62 13.162 13.254 -12.903 1.00 0.00 O ATOM 867 CB ARG A 62 10.576 13.083 -15.039 1.00 0.00 C ATOM 868 CG ARG A 62 10.243 13.756 -16.360 1.00 0.00 C ATOM 869 CD ARG A 62 10.977 15.082 -16.509 1.00 0.00 C ATOM 870 NE ARG A 62 10.585 15.792 -17.726 1.00 0.00 N ATOM 871 CZ ARG A 62 11.168 16.910 -18.160 1.00 0.00 C ATOM 872 NH1 ARG A 62 12.181 17.449 -17.484 1.00 0.00 N ATOM 873 NH2 ARG A 62 10.733 17.492 -19.268 1.00 0.00 N ATOM 0 H ARG A 62 11.511 10.770 -15.693 1.00 0.00 H new ATOM 0 HA ARG A 62 12.667 13.435 -15.345 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.935 12.211 -14.913 1.00 0.00 H new ATOM 0 HB3 ARG A 62 10.345 13.768 -14.223 1.00 0.00 H new ATOM 0 HG2 ARG A 62 10.511 13.095 -17.184 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.168 13.924 -16.423 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.772 15.709 -15.641 1.00 0.00 H new ATOM 0 HD3 ARG A 62 12.052 14.902 -16.525 1.00 0.00 H new ATOM 0 HE ARG A 62 9.818 15.408 -18.277 1.00 0.00 H new ATOM 0 HH11 ARG A 62 12.516 17.006 -16.628 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.622 18.304 -17.822 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.954 17.085 -19.786 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.177 18.347 -19.603 1.00 0.00 H new ATOM 887 N LEU A 63 11.929 11.367 -12.862 1.00 0.00 N ATOM 888 CA LEU A 63 12.167 11.112 -11.444 1.00 0.00 C ATOM 889 C LEU A 63 13.654 11.064 -11.133 1.00 0.00 C ATOM 890 O LEU A 63 14.110 11.694 -10.183 1.00 0.00 O ATOM 891 CB LEU A 63 11.515 9.801 -10.979 1.00 0.00 C ATOM 892 CG LEU A 63 9.982 9.771 -10.964 1.00 0.00 C ATOM 893 CD1 LEU A 63 9.404 11.169 -10.803 1.00 0.00 C ATOM 894 CD2 LEU A 63 9.447 9.092 -12.213 1.00 0.00 C ATOM 0 H LEU A 63 11.369 10.656 -13.332 1.00 0.00 H new ATOM 0 HA LEU A 63 11.711 11.941 -10.903 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.866 8.997 -11.625 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.871 9.580 -9.973 1.00 0.00 H new ATOM 0 HG LEU A 63 9.664 9.187 -10.101 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.315 11.114 -10.796 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.752 11.601 -9.864 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.730 11.795 -11.633 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.357 9.081 -12.183 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.780 9.639 -13.095 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.819 8.068 -12.258 1.00 0.00 H new ATOM 906 N ARG A 64 14.406 10.333 -11.950 1.00 0.00 N ATOM 907 CA ARG A 64 15.830 10.144 -11.694 1.00 0.00 C ATOM 908 C ARG A 64 16.583 11.471 -11.773 1.00 0.00 C ATOM 909 O ARG A 64 17.517 11.708 -11.007 1.00 0.00 O ATOM 910 CB ARG A 64 16.437 9.130 -12.664 1.00 0.00 C ATOM 911 CG ARG A 64 16.683 9.675 -14.056 1.00 0.00 C ATOM 912 CD ARG A 64 17.875 8.990 -14.683 1.00 0.00 C ATOM 913 NE ARG A 64 18.348 9.700 -15.867 1.00 0.00 N ATOM 914 CZ ARG A 64 19.623 10.020 -16.082 1.00 0.00 C ATOM 915 NH1 ARG A 64 20.564 9.680 -15.207 1.00 0.00 N ATOM 916 NH2 ARG A 64 19.964 10.678 -17.180 1.00 0.00 N ATOM 0 H ARG A 64 14.058 9.866 -12.787 1.00 0.00 H new ATOM 0 HA ARG A 64 15.931 9.751 -10.682 1.00 0.00 H new ATOM 0 HB2 ARG A 64 17.381 8.771 -12.254 1.00 0.00 H new ATOM 0 HB3 ARG A 64 15.773 8.269 -12.735 1.00 0.00 H new ATOM 0 HG2 ARG A 64 15.799 9.522 -14.675 1.00 0.00 H new ATOM 0 HG3 ARG A 64 16.856 10.750 -14.008 1.00 0.00 H new ATOM 0 HD2 ARG A 64 18.682 8.924 -13.953 1.00 0.00 H new ATOM 0 HD3 ARG A 64 17.606 7.969 -14.955 1.00 0.00 H new ATOM 0 HE ARG A 64 17.661 9.967 -16.572 1.00 0.00 H new ATOM 0 HH11 ARG A 64 20.313 9.169 -14.361 1.00 0.00 H new ATOM 0 HH12 ARG A 64 21.537 9.930 -15.382 1.00 0.00 H new ATOM 0 HH21 ARG A 64 19.250 10.939 -17.860 1.00 0.00 H new ATOM 0 HH22 ARG A 64 20.940 10.923 -17.345 1.00 0.00 H new ATOM 930 N ALA A 65 16.143 12.347 -12.669 1.00 0.00 N ATOM 931 CA ALA A 65 16.826 13.609 -12.903 1.00 0.00 C ATOM 932 C ALA A 65 16.455 14.635 -11.841 1.00 0.00 C ATOM 933 O ALA A 65 17.230 15.550 -11.549 1.00 0.00 O ATOM 934 CB ALA A 65 16.501 14.137 -14.294 1.00 0.00 C ATOM 0 H ALA A 65 15.314 12.204 -13.246 1.00 0.00 H new ATOM 0 HA ALA A 65 17.900 13.432 -12.839 1.00 0.00 H new ATOM 0 HB1 ALA A 65 17.019 15.082 -14.455 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.825 13.414 -15.043 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.426 14.293 -14.382 1.00 0.00 H new ATOM 940 N MET A 66 15.275 14.476 -11.255 1.00 0.00 N ATOM 941 CA MET A 66 14.801 15.380 -10.242 1.00 0.00 C ATOM 942 C MET A 66 15.631 15.260 -8.964 1.00 0.00 C ATOM 943 O MET A 66 15.803 16.240 -8.233 1.00 0.00 O ATOM 944 CB MET A 66 13.339 15.083 -9.968 1.00 0.00 C ATOM 945 CG MET A 66 12.738 15.981 -8.953 1.00 0.00 C ATOM 946 SD MET A 66 12.790 17.702 -9.445 1.00 0.00 S ATOM 947 CE MET A 66 12.212 18.399 -7.924 1.00 0.00 C ATOM 0 H MET A 66 14.630 13.717 -11.475 1.00 0.00 H new ATOM 0 HA MET A 66 14.905 16.405 -10.597 1.00 0.00 H new ATOM 0 HB2 MET A 66 12.777 15.170 -10.898 1.00 0.00 H new ATOM 0 HB3 MET A 66 13.242 14.050 -9.632 1.00 0.00 H new ATOM 0 HG2 MET A 66 11.703 15.687 -8.780 1.00 0.00 H new ATOM 0 HG3 MET A 66 13.266 15.860 -8.007 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.659 19.315 -8.131 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.558 17.686 -7.422 1.00 0.00 H new ATOM 0 HE3 MET A 66 13.063 18.626 -7.281 1.00 0.00 H new ATOM 957 N ASN A 67 16.151 14.060 -8.698 1.00 0.00 N ATOM 958 CA ASN A 67 17.031 13.861 -7.551 1.00 0.00 C ATOM 959 C ASN A 67 18.251 14.751 -7.698 1.00 0.00 C ATOM 960 O ASN A 67 18.638 15.453 -6.766 1.00 0.00 O ATOM 961 CB ASN A 67 17.493 12.404 -7.416 1.00 0.00 C ATOM 962 CG ASN A 67 16.357 11.408 -7.426 1.00 0.00 C ATOM 963 OD1 ASN A 67 15.686 11.195 -6.420 1.00 0.00 O ATOM 964 ND2 ASN A 67 16.160 10.762 -8.558 1.00 0.00 N ATOM 0 H ASN A 67 15.979 13.223 -9.255 1.00 0.00 H new ATOM 0 HA ASN A 67 16.465 14.116 -6.655 1.00 0.00 H new ATOM 0 HB2 ASN A 67 18.177 12.171 -8.232 1.00 0.00 H new ATOM 0 HB3 ASN A 67 18.054 12.294 -6.488 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.428 10.055 -8.621 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.740 10.969 -9.371 1.00 0.00 H new ATOM 971 N THR A 68 18.834 14.726 -8.892 1.00 0.00 N ATOM 972 CA THR A 68 19.993 15.542 -9.205 1.00 0.00 C ATOM 973 C THR A 68 19.675 17.024 -9.022 1.00 0.00 C ATOM 974 O THR A 68 20.504 17.787 -8.534 1.00 0.00 O ATOM 975 CB THR A 68 20.459 15.290 -10.653 1.00 0.00 C ATOM 976 OG1 THR A 68 20.548 13.878 -10.891 1.00 0.00 O ATOM 977 CG2 THR A 68 21.812 15.937 -10.914 1.00 0.00 C ATOM 0 H THR A 68 18.515 14.141 -9.664 1.00 0.00 H new ATOM 0 HA THR A 68 20.793 15.264 -8.519 1.00 0.00 H new ATOM 0 HB THR A 68 19.730 15.735 -11.330 1.00 0.00 H new ATOM 0 HG1 THR A 68 20.843 13.719 -11.812 1.00 0.00 H new ATOM 0 HG21 THR A 68 22.116 15.743 -11.943 1.00 0.00 H new ATOM 0 HG22 THR A 68 21.738 17.013 -10.754 1.00 0.00 H new ATOM 0 HG23 THR A 68 22.553 15.519 -10.232 1.00 0.00 H new ATOM 985 N ALA A 69 18.457 17.413 -9.387 1.00 0.00 N ATOM 986 CA ALA A 69 18.030 18.802 -9.276 1.00 0.00 C ATOM 987 C ALA A 69 18.016 19.263 -7.822 1.00 0.00 C ATOM 988 O ALA A 69 18.634 20.270 -7.480 1.00 0.00 O ATOM 989 CB ALA A 69 16.656 18.986 -9.904 1.00 0.00 C ATOM 0 H ALA A 69 17.748 16.784 -9.763 1.00 0.00 H new ATOM 0 HA ALA A 69 18.749 19.418 -9.816 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.351 20.029 -9.813 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.698 18.711 -10.958 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.934 18.351 -9.391 1.00 0.00 H new ATOM 995 N MET A 70 17.324 18.515 -6.965 1.00 0.00 N ATOM 996 CA MET A 70 17.209 18.890 -5.556 1.00 0.00 C ATOM 997 C MET A 70 18.560 18.766 -4.866 1.00 0.00 C ATOM 998 O MET A 70 18.936 19.608 -4.046 1.00 0.00 O ATOM 999 CB MET A 70 16.178 18.016 -4.832 1.00 0.00 C ATOM 1000 CG MET A 70 15.796 18.556 -3.459 1.00 0.00 C ATOM 1001 SD MET A 70 14.534 17.565 -2.631 1.00 0.00 S ATOM 1002 CE MET A 70 15.480 16.124 -2.148 1.00 0.00 C ATOM 0 H MET A 70 16.839 17.654 -7.217 1.00 0.00 H new ATOM 0 HA MET A 70 16.874 19.926 -5.513 1.00 0.00 H new ATOM 0 HB2 MET A 70 15.282 17.937 -5.447 1.00 0.00 H new ATOM 0 HB3 MET A 70 16.578 17.008 -4.721 1.00 0.00 H new ATOM 0 HG2 MET A 70 16.686 18.597 -2.831 1.00 0.00 H new ATOM 0 HG3 MET A 70 15.434 19.578 -3.566 1.00 0.00 H new ATOM 0 HE1 MET A 70 14.866 15.480 -1.519 1.00 0.00 H new ATOM 0 HE2 MET A 70 15.788 15.576 -3.038 1.00 0.00 H new ATOM 0 HE3 MET A 70 16.363 16.438 -1.592 1.00 0.00 H new ATOM 1012 N ALA A 71 19.286 17.710 -5.213 1.00 0.00 N ATOM 1013 CA ALA A 71 20.609 17.470 -4.658 1.00 0.00 C ATOM 1014 C ALA A 71 21.567 18.595 -5.029 1.00 0.00 C ATOM 1015 O ALA A 71 22.426 18.965 -4.238 1.00 0.00 O ATOM 1016 CB ALA A 71 21.154 16.133 -5.136 1.00 0.00 C ATOM 0 H ALA A 71 18.977 17.003 -5.880 1.00 0.00 H new ATOM 0 HA ALA A 71 20.519 17.442 -3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 71 22.144 15.971 -4.711 1.00 0.00 H new ATOM 0 HB2 ALA A 71 20.486 15.333 -4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 71 21.222 16.136 -6.224 1.00 0.00 H new ATOM 1022 N ALA A 72 21.411 19.137 -6.232 1.00 0.00 N ATOM 1023 CA ALA A 72 22.246 20.241 -6.683 1.00 0.00 C ATOM 1024 C ALA A 72 21.910 21.514 -5.918 1.00 0.00 C ATOM 1025 O ALA A 72 22.803 22.239 -5.482 1.00 0.00 O ATOM 1026 CB ALA A 72 22.080 20.462 -8.179 1.00 0.00 C ATOM 0 H ALA A 72 20.714 18.829 -6.911 1.00 0.00 H new ATOM 0 HA ALA A 72 23.287 19.984 -6.486 1.00 0.00 H new ATOM 0 HB1 ALA A 72 22.712 21.291 -8.497 1.00 0.00 H new ATOM 0 HB2 ALA A 72 22.371 19.558 -8.715 1.00 0.00 H new ATOM 0 HB3 ALA A 72 21.038 20.695 -8.399 1.00 0.00 H new ATOM 1032 N GLU A 73 20.615 21.768 -5.740 1.00 0.00 N ATOM 1033 CA GLU A 73 20.152 22.960 -5.035 1.00 0.00 C ATOM 1034 C GLU A 73 20.725 23.025 -3.622 1.00 0.00 C ATOM 1035 O GLU A 73 21.117 24.094 -3.153 1.00 0.00 O ATOM 1036 CB GLU A 73 18.622 22.999 -4.981 1.00 0.00 C ATOM 1037 CG GLU A 73 17.964 23.165 -6.343 1.00 0.00 C ATOM 1038 CD GLU A 73 18.197 24.535 -6.958 1.00 0.00 C ATOM 1039 OE1 GLU A 73 19.362 24.885 -7.235 1.00 0.00 O ATOM 1040 OE2 GLU A 73 17.212 25.267 -7.172 1.00 0.00 O ATOM 0 H GLU A 73 19.866 21.162 -6.076 1.00 0.00 H new ATOM 0 HA GLU A 73 20.508 23.828 -5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.260 22.079 -4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 73 18.311 23.820 -4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 73 18.346 22.401 -7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 73 16.892 22.996 -6.244 1.00 0.00 H new ATOM 1047 N VAL A 74 20.784 21.880 -2.948 1.00 0.00 N ATOM 1048 CA VAL A 74 21.340 21.829 -1.602 1.00 0.00 C ATOM 1049 C VAL A 74 22.866 21.732 -1.634 1.00 0.00 C ATOM 1050 O VAL A 74 23.539 22.241 -0.743 1.00 0.00 O ATOM 1051 CB VAL A 74 20.763 20.665 -0.764 1.00 0.00 C ATOM 1052 CG1 VAL A 74 19.272 20.848 -0.558 1.00 0.00 C ATOM 1053 CG2 VAL A 74 21.043 19.323 -1.414 1.00 0.00 C ATOM 0 H VAL A 74 20.457 20.984 -3.308 1.00 0.00 H new ATOM 0 HA VAL A 74 21.050 22.763 -1.121 1.00 0.00 H new ATOM 0 HB VAL A 74 21.258 20.678 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.882 20.020 0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.090 21.786 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.771 20.870 -1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 74 20.624 18.526 -0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 74 20.587 19.296 -2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 74 22.120 19.181 -1.507 1.00 0.00 H new ATOM 1063 N ALA A 75 23.412 21.104 -2.671 1.00 0.00 N ATOM 1064 CA ALA A 75 24.860 20.965 -2.804 1.00 0.00 C ATOM 1065 C ALA A 75 25.535 22.328 -2.826 1.00 0.00 C ATOM 1066 O ALA A 75 26.606 22.510 -2.249 1.00 0.00 O ATOM 1067 CB ALA A 75 25.212 20.187 -4.062 1.00 0.00 C ATOM 0 H ALA A 75 22.876 20.684 -3.430 1.00 0.00 H new ATOM 0 HA ALA A 75 25.224 20.412 -1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 75 26.295 20.095 -4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 75 24.766 19.194 -4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 75 24.827 20.714 -4.935 1.00 0.00 H new ATOM 1073 N GLU A 76 24.887 23.281 -3.481 1.00 0.00 N ATOM 1074 CA GLU A 76 25.398 24.641 -3.569 1.00 0.00 C ATOM 1075 C GLU A 76 25.567 25.261 -2.183 1.00 0.00 C ATOM 1076 O GLU A 76 26.567 25.923 -1.908 1.00 0.00 O ATOM 1077 CB GLU A 76 24.454 25.503 -4.407 1.00 0.00 C ATOM 1078 CG GLU A 76 24.236 24.987 -5.818 1.00 0.00 C ATOM 1079 CD GLU A 76 25.499 25.007 -6.649 1.00 0.00 C ATOM 1080 OE1 GLU A 76 25.808 26.066 -7.232 1.00 0.00 O ATOM 1081 OE2 GLU A 76 26.182 23.966 -6.733 1.00 0.00 O ATOM 0 H GLU A 76 24.000 23.135 -3.963 1.00 0.00 H new ATOM 0 HA GLU A 76 26.377 24.601 -4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 76 23.491 25.566 -3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.853 26.516 -4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 76 23.852 23.968 -5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.474 25.593 -6.308 1.00 0.00 H new ATOM 1088 N VAL A 77 24.599 25.036 -1.302 1.00 0.00 N ATOM 1089 CA VAL A 77 24.638 25.637 0.026 1.00 0.00 C ATOM 1090 C VAL A 77 25.538 24.825 0.965 1.00 0.00 C ATOM 1091 O VAL A 77 26.127 25.368 1.900 1.00 0.00 O ATOM 1092 CB VAL A 77 23.218 25.789 0.634 1.00 0.00 C ATOM 1093 CG1 VAL A 77 22.650 24.458 1.107 1.00 0.00 C ATOM 1094 CG2 VAL A 77 23.219 26.804 1.764 1.00 0.00 C ATOM 0 H VAL A 77 23.785 24.448 -1.480 1.00 0.00 H new ATOM 0 HA VAL A 77 25.058 26.637 -0.085 1.00 0.00 H new ATOM 0 HB VAL A 77 22.567 26.153 -0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 77 21.655 24.615 1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 77 22.585 23.770 0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 77 23.302 24.035 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 77 22.213 26.893 2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 77 23.902 26.476 2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 77 23.542 27.773 1.383 1.00 0.00 H new ATOM 1104 N VAL A 78 25.661 23.528 0.690 1.00 0.00 N ATOM 1105 CA VAL A 78 26.542 22.657 1.463 1.00 0.00 C ATOM 1106 C VAL A 78 28.005 22.978 1.169 1.00 0.00 C ATOM 1107 O VAL A 78 28.860 22.886 2.051 1.00 0.00 O ATOM 1108 CB VAL A 78 26.265 21.163 1.165 1.00 0.00 C ATOM 1109 CG1 VAL A 78 27.275 20.260 1.862 1.00 0.00 C ATOM 1110 CG2 VAL A 78 24.850 20.791 1.587 1.00 0.00 C ATOM 0 H VAL A 78 25.161 23.057 -0.064 1.00 0.00 H new ATOM 0 HA VAL A 78 26.339 22.839 2.518 1.00 0.00 H new ATOM 0 HB VAL A 78 26.366 21.015 0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 78 27.052 19.218 1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 78 28.279 20.501 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 78 27.218 20.414 2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 78 24.671 19.738 1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.731 20.967 2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 78 24.134 21.401 1.037 1.00 0.00 H new ATOM 1120 N ALA A 79 28.275 23.396 -0.064 1.00 0.00 N ATOM 1121 CA ALA A 79 29.635 23.714 -0.498 1.00 0.00 C ATOM 1122 C ALA A 79 30.199 24.927 0.243 1.00 0.00 C ATOM 1123 O ALA A 79 31.391 25.224 0.154 1.00 0.00 O ATOM 1124 CB ALA A 79 29.664 23.954 -2.000 1.00 0.00 C ATOM 0 H ALA A 79 27.566 23.524 -0.786 1.00 0.00 H new ATOM 0 HA ALA A 79 30.267 22.859 -0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 79 30.682 24.190 -2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.325 23.057 -2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 79 29.006 24.787 -2.248 1.00 0.00 H new ATOM 1130 N THR A 80 29.334 25.622 0.970 1.00 0.00 N ATOM 1131 CA THR A 80 29.738 26.766 1.773 1.00 0.00 C ATOM 1132 C THR A 80 30.465 26.305 3.040 1.00 0.00 C ATOM 1133 O THR A 80 31.193 27.072 3.672 1.00 0.00 O ATOM 1134 CB THR A 80 28.509 27.620 2.153 1.00 0.00 C ATOM 1135 OG1 THR A 80 27.771 27.957 0.973 1.00 0.00 O ATOM 1136 CG2 THR A 80 28.914 28.896 2.876 1.00 0.00 C ATOM 0 H THR A 80 28.338 25.409 1.019 1.00 0.00 H new ATOM 0 HA THR A 80 30.420 27.374 1.179 1.00 0.00 H new ATOM 0 HB THR A 80 27.889 27.029 2.828 1.00 0.00 H new ATOM 0 HG1 THR A 80 27.064 27.294 0.829 1.00 0.00 H new ATOM 0 HG21 THR A 80 28.022 29.471 3.127 1.00 0.00 H new ATOM 0 HG22 THR A 80 29.451 28.642 3.790 1.00 0.00 H new ATOM 0 HG23 THR A 80 29.559 29.491 2.230 1.00 0.00 H new ATOM 1144 N SER A 81 30.286 25.040 3.389 1.00 0.00 N ATOM 1145 CA SER A 81 30.878 24.493 4.598 1.00 0.00 C ATOM 1146 C SER A 81 32.372 24.237 4.405 1.00 0.00 C ATOM 1147 O SER A 81 32.769 23.532 3.475 1.00 0.00 O ATOM 1148 CB SER A 81 30.173 23.192 4.972 1.00 0.00 C ATOM 1149 OG SER A 81 28.767 23.326 4.838 1.00 0.00 O ATOM 0 H SER A 81 29.734 24.373 2.850 1.00 0.00 H new ATOM 0 HA SER A 81 30.756 25.219 5.402 1.00 0.00 H new ATOM 0 HB2 SER A 81 30.529 22.383 4.333 1.00 0.00 H new ATOM 0 HB3 SER A 81 30.421 22.920 5.998 1.00 0.00 H new ATOM 0 HG SER A 81 28.515 23.210 3.898 1.00 0.00 H new ATOM 1155 N PRO A 82 33.217 24.826 5.268 1.00 0.00 N ATOM 1156 CA PRO A 82 34.661 24.573 5.257 1.00 0.00 C ATOM 1157 C PRO A 82 34.966 23.099 5.518 1.00 0.00 C ATOM 1158 O PRO A 82 34.202 22.425 6.208 1.00 0.00 O ATOM 1159 CB PRO A 82 35.194 25.438 6.407 1.00 0.00 C ATOM 1160 CG PRO A 82 34.140 26.463 6.643 1.00 0.00 C ATOM 1161 CD PRO A 82 32.838 25.794 6.311 1.00 0.00 C ATOM 0 HA PRO A 82 35.115 24.810 4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 82 35.370 24.840 7.301 1.00 0.00 H new ATOM 0 HB3 PRO A 82 36.144 25.903 6.143 1.00 0.00 H new ATOM 0 HG2 PRO A 82 34.151 26.805 7.678 1.00 0.00 H new ATOM 0 HG3 PRO A 82 34.300 27.340 6.016 1.00 0.00 H new ATOM 0 HD2 PRO A 82 32.405 25.300 7.181 1.00 0.00 H new ATOM 0 HD3 PRO A 82 32.099 26.508 5.949 1.00 0.00 H new ATOM 1169 N PRO A 83 36.087 22.580 4.978 1.00 0.00 N ATOM 1170 CA PRO A 83 36.465 21.163 5.112 1.00 0.00 C ATOM 1171 C PRO A 83 36.402 20.656 6.551 1.00 0.00 C ATOM 1172 O PRO A 83 36.022 19.513 6.799 1.00 0.00 O ATOM 1173 CB PRO A 83 37.907 21.133 4.601 1.00 0.00 C ATOM 1174 CG PRO A 83 37.992 22.271 3.647 1.00 0.00 C ATOM 1175 CD PRO A 83 37.071 23.336 4.181 1.00 0.00 C ATOM 0 HA PRO A 83 35.781 20.515 4.563 1.00 0.00 H new ATOM 0 HB2 PRO A 83 38.619 21.247 5.418 1.00 0.00 H new ATOM 0 HB3 PRO A 83 38.134 20.187 4.110 1.00 0.00 H new ATOM 0 HG2 PRO A 83 39.014 22.642 3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 83 37.692 21.963 2.646 1.00 0.00 H new ATOM 0 HD2 PRO A 83 37.609 24.061 4.792 1.00 0.00 H new ATOM 0 HD3 PRO A 83 36.592 23.892 3.375 1.00 0.00 H new ATOM 1183 N GLN A 84 36.753 21.523 7.495 1.00 0.00 N ATOM 1184 CA GLN A 84 36.780 21.162 8.909 1.00 0.00 C ATOM 1185 C GLN A 84 35.382 20.849 9.445 1.00 0.00 C ATOM 1186 O GLN A 84 35.231 20.083 10.399 1.00 0.00 O ATOM 1187 CB GLN A 84 37.398 22.298 9.723 1.00 0.00 C ATOM 1188 CG GLN A 84 38.847 22.589 9.363 1.00 0.00 C ATOM 1189 CD GLN A 84 39.404 23.781 10.118 1.00 0.00 C ATOM 1190 OE1 GLN A 84 38.993 24.072 11.241 1.00 0.00 O ATOM 1191 NE2 GLN A 84 40.346 24.479 9.507 1.00 0.00 N ATOM 0 H GLN A 84 37.025 22.488 7.305 1.00 0.00 H new ATOM 0 HA GLN A 84 37.385 20.261 9.007 1.00 0.00 H new ATOM 0 HB2 GLN A 84 36.807 23.202 9.575 1.00 0.00 H new ATOM 0 HB3 GLN A 84 37.339 22.048 10.782 1.00 0.00 H new ATOM 0 HG2 GLN A 84 39.455 21.710 9.578 1.00 0.00 H new ATOM 0 HG3 GLN A 84 38.922 22.774 8.291 1.00 0.00 H new ATOM 0 HE21 GLN A 84 40.660 24.206 8.576 1.00 0.00 H new ATOM 0 HE22 GLN A 84 40.759 25.291 9.967 1.00 0.00 H new ATOM 1200 N SER A 85 34.365 21.435 8.827 1.00 0.00 N ATOM 1201 CA SER A 85 32.998 21.290 9.307 1.00 0.00 C ATOM 1202 C SER A 85 32.123 20.575 8.278 1.00 0.00 C ATOM 1203 O SER A 85 30.955 20.288 8.538 1.00 0.00 O ATOM 1204 CB SER A 85 32.419 22.670 9.616 1.00 0.00 C ATOM 1205 OG SER A 85 33.334 23.439 10.381 1.00 0.00 O ATOM 0 H SER A 85 34.461 22.015 7.993 1.00 0.00 H new ATOM 0 HA SER A 85 33.012 20.685 10.213 1.00 0.00 H new ATOM 0 HB2 SER A 85 32.189 23.190 8.686 1.00 0.00 H new ATOM 0 HB3 SER A 85 31.482 22.563 10.162 1.00 0.00 H new ATOM 0 HG SER A 85 32.946 24.319 10.567 1.00 0.00 H new ATOM 1211 N TYR A 86 32.701 20.271 7.124 1.00 0.00 N ATOM 1212 CA TYR A 86 31.949 19.697 6.013 1.00 0.00 C ATOM 1213 C TYR A 86 31.306 18.370 6.401 1.00 0.00 C ATOM 1214 O TYR A 86 30.108 18.175 6.196 1.00 0.00 O ATOM 1215 CB TYR A 86 32.857 19.504 4.796 1.00 0.00 C ATOM 1216 CG TYR A 86 32.137 18.934 3.592 1.00 0.00 C ATOM 1217 CD1 TYR A 86 31.516 19.769 2.670 1.00 0.00 C ATOM 1218 CD2 TYR A 86 32.073 17.563 3.385 1.00 0.00 C ATOM 1219 CE1 TYR A 86 30.850 19.250 1.575 1.00 0.00 C ATOM 1220 CE2 TYR A 86 31.409 17.038 2.295 1.00 0.00 C ATOM 1221 CZ TYR A 86 30.803 17.884 1.391 1.00 0.00 C ATOM 1222 OH TYR A 86 30.132 17.358 0.307 1.00 0.00 O ATOM 0 H TYR A 86 33.693 20.413 6.931 1.00 0.00 H new ATOM 0 HA TYR A 86 31.153 20.396 5.757 1.00 0.00 H new ATOM 0 HB2 TYR A 86 33.298 20.463 4.526 1.00 0.00 H new ATOM 0 HB3 TYR A 86 33.678 18.840 5.067 1.00 0.00 H new ATOM 0 HD1 TYR A 86 31.554 20.839 2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 86 32.550 16.897 4.088 1.00 0.00 H new ATOM 0 HE1 TYR A 86 30.370 19.910 0.868 1.00 0.00 H new ATOM 0 HE2 TYR A 86 31.364 15.969 2.151 1.00 0.00 H new ATOM 0 HH TYR A 86 29.872 18.082 -0.300 1.00 0.00 H new ATOM 1232 N SER A 87 32.100 17.468 6.964 1.00 0.00 N ATOM 1233 CA SER A 87 31.610 16.148 7.337 1.00 0.00 C ATOM 1234 C SER A 87 30.515 16.252 8.393 1.00 0.00 C ATOM 1235 O SER A 87 29.553 15.486 8.383 1.00 0.00 O ATOM 1236 CB SER A 87 32.764 15.285 7.851 1.00 0.00 C ATOM 1237 OG SER A 87 33.802 15.202 6.885 1.00 0.00 O ATOM 0 H SER A 87 33.086 17.627 7.172 1.00 0.00 H new ATOM 0 HA SER A 87 31.183 15.678 6.451 1.00 0.00 H new ATOM 0 HB2 SER A 87 33.155 15.707 8.776 1.00 0.00 H new ATOM 0 HB3 SER A 87 32.399 14.285 8.086 1.00 0.00 H new ATOM 0 HG SER A 87 34.530 14.647 7.234 1.00 0.00 H new ATOM 1243 N ALA A 88 30.649 17.231 9.276 1.00 0.00 N ATOM 1244 CA ALA A 88 29.679 17.433 10.344 1.00 0.00 C ATOM 1245 C ALA A 88 28.346 17.892 9.767 1.00 0.00 C ATOM 1246 O ALA A 88 27.275 17.486 10.226 1.00 0.00 O ATOM 1247 CB ALA A 88 30.205 18.439 11.354 1.00 0.00 C ATOM 0 H ALA A 88 31.420 17.899 9.274 1.00 0.00 H new ATOM 0 HA ALA A 88 29.522 16.485 10.858 1.00 0.00 H new ATOM 0 HB1 ALA A 88 29.469 18.579 12.145 1.00 0.00 H new ATOM 0 HB2 ALA A 88 31.135 18.069 11.785 1.00 0.00 H new ATOM 0 HB3 ALA A 88 30.389 19.392 10.857 1.00 0.00 H new ATOM 1253 N VAL A 89 28.425 18.731 8.744 1.00 0.00 N ATOM 1254 CA VAL A 89 27.241 19.202 8.046 1.00 0.00 C ATOM 1255 C VAL A 89 26.645 18.080 7.199 1.00 0.00 C ATOM 1256 O VAL A 89 25.436 17.846 7.221 1.00 0.00 O ATOM 1257 CB VAL A 89 27.575 20.415 7.148 1.00 0.00 C ATOM 1258 CG1 VAL A 89 26.371 20.825 6.310 1.00 0.00 C ATOM 1259 CG2 VAL A 89 28.058 21.587 7.992 1.00 0.00 C ATOM 0 H VAL A 89 29.303 19.100 8.379 1.00 0.00 H new ATOM 0 HA VAL A 89 26.511 19.515 8.793 1.00 0.00 H new ATOM 0 HB VAL A 89 28.375 20.120 6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 89 26.635 21.680 5.688 1.00 0.00 H new ATOM 0 HG12 VAL A 89 26.070 19.993 5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 89 25.545 21.096 6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 89 28.289 22.432 7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 89 27.278 21.873 8.697 1.00 0.00 H new ATOM 0 HG23 VAL A 89 28.954 21.296 8.540 1.00 0.00 H new ATOM 1269 N LEU A 90 27.511 17.376 6.475 1.00 0.00 N ATOM 1270 CA LEU A 90 27.097 16.287 5.603 1.00 0.00 C ATOM 1271 C LEU A 90 26.354 15.211 6.394 1.00 0.00 C ATOM 1272 O LEU A 90 25.285 14.754 5.983 1.00 0.00 O ATOM 1273 CB LEU A 90 28.337 15.698 4.921 1.00 0.00 C ATOM 1274 CG LEU A 90 28.122 15.050 3.551 1.00 0.00 C ATOM 1275 CD1 LEU A 90 27.313 13.766 3.662 1.00 0.00 C ATOM 1276 CD2 LEU A 90 27.455 16.028 2.592 1.00 0.00 C ATOM 0 H LEU A 90 28.517 17.546 6.478 1.00 0.00 H new ATOM 0 HA LEU A 90 26.413 16.670 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 90 29.075 16.493 4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 90 28.770 14.952 5.587 1.00 0.00 H new ATOM 0 HG LEU A 90 29.102 14.788 3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 90 27.180 13.333 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 90 27.841 13.057 4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 90 26.338 13.987 4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 90 27.311 15.548 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 90 26.488 16.330 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 90 28.088 16.907 2.470 1.00 0.00 H new ATOM 1288 N ASN A 91 26.919 14.819 7.533 1.00 0.00 N ATOM 1289 CA ASN A 91 26.295 13.819 8.400 1.00 0.00 C ATOM 1290 C ASN A 91 24.914 14.277 8.853 1.00 0.00 C ATOM 1291 O ASN A 91 23.990 13.474 8.965 1.00 0.00 O ATOM 1292 CB ASN A 91 27.181 13.532 9.619 1.00 0.00 C ATOM 1293 CG ASN A 91 28.363 12.645 9.279 1.00 0.00 C ATOM 1294 OD1 ASN A 91 28.269 11.766 8.421 1.00 0.00 O ATOM 1295 ND2 ASN A 91 29.485 12.867 9.947 1.00 0.00 N ATOM 0 H ASN A 91 27.809 15.178 7.879 1.00 0.00 H new ATOM 0 HA ASN A 91 26.182 12.900 7.824 1.00 0.00 H new ATOM 0 HB2 ASN A 91 27.544 14.474 10.031 1.00 0.00 H new ATOM 0 HB3 ASN A 91 26.583 13.054 10.395 1.00 0.00 H new ATOM 0 HD21 ASN A 91 30.312 12.300 9.758 1.00 0.00 H new ATOM 0 HD22 ASN A 91 29.522 13.605 10.650 1.00 0.00 H new ATOM 1302 N THR A 92 24.777 15.573 9.091 1.00 0.00 N ATOM 1303 CA THR A 92 23.502 16.147 9.489 1.00 0.00 C ATOM 1304 C THR A 92 22.495 16.070 8.336 1.00 0.00 C ATOM 1305 O THR A 92 21.336 15.702 8.534 1.00 0.00 O ATOM 1306 CB THR A 92 23.685 17.607 9.952 1.00 0.00 C ATOM 1307 OG1 THR A 92 24.631 17.650 11.032 1.00 0.00 O ATOM 1308 CG2 THR A 92 22.367 18.217 10.411 1.00 0.00 C ATOM 0 H THR A 92 25.537 16.249 9.015 1.00 0.00 H new ATOM 0 HA THR A 92 23.111 15.569 10.326 1.00 0.00 H new ATOM 0 HB THR A 92 24.051 18.187 9.105 1.00 0.00 H new ATOM 0 HG1 THR A 92 25.541 17.602 10.672 1.00 0.00 H new ATOM 0 HG21 THR A 92 22.534 19.246 10.730 1.00 0.00 H new ATOM 0 HG22 THR A 92 21.653 18.204 9.587 1.00 0.00 H new ATOM 0 HG23 THR A 92 21.969 17.639 11.245 1.00 0.00 H new ATOM 1316 N ILE A 93 22.955 16.396 7.130 1.00 0.00 N ATOM 1317 CA ILE A 93 22.120 16.295 5.936 1.00 0.00 C ATOM 1318 C ILE A 93 21.638 14.862 5.741 1.00 0.00 C ATOM 1319 O ILE A 93 20.452 14.617 5.507 1.00 0.00 O ATOM 1320 CB ILE A 93 22.881 16.757 4.669 1.00 0.00 C ATOM 1321 CG1 ILE A 93 23.350 18.210 4.814 1.00 0.00 C ATOM 1322 CG2 ILE A 93 22.014 16.596 3.424 1.00 0.00 C ATOM 1323 CD1 ILE A 93 22.227 19.203 5.038 1.00 0.00 C ATOM 0 H ILE A 93 23.902 16.732 6.954 1.00 0.00 H new ATOM 0 HA ILE A 93 21.263 16.952 6.084 1.00 0.00 H new ATOM 0 HB ILE A 93 23.760 16.123 4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 93 24.049 18.274 5.648 1.00 0.00 H new ATOM 0 HG13 ILE A 93 23.899 18.495 3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 93 22.571 16.927 2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.740 15.548 3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 93 21.111 17.198 3.529 1.00 0.00 H new ATOM 0 HD11 ILE A 93 22.642 20.207 5.130 1.00 0.00 H new ATOM 0 HD12 ILE A 93 21.539 19.171 4.193 1.00 0.00 H new ATOM 0 HD13 ILE A 93 21.691 18.946 5.952 1.00 0.00 H new ATOM 1335 N GLY A 94 22.565 13.922 5.865 1.00 0.00 N ATOM 1336 CA GLY A 94 22.239 12.521 5.691 1.00 0.00 C ATOM 1337 C GLY A 94 21.245 12.014 6.712 1.00 0.00 C ATOM 1338 O GLY A 94 20.353 11.234 6.382 1.00 0.00 O ATOM 0 H GLY A 94 23.544 14.107 6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 94 21.833 12.370 4.691 1.00 0.00 H new ATOM 0 HA3 GLY A 94 23.153 11.930 5.757 1.00 0.00 H new ATOM 1342 N ALA A 95 21.396 12.467 7.945 1.00 0.00 N ATOM 1343 CA ALA A 95 20.540 12.030 9.041 1.00 0.00 C ATOM 1344 C ALA A 95 19.130 12.588 8.889 1.00 0.00 C ATOM 1345 O ALA A 95 18.146 11.856 9.007 1.00 0.00 O ATOM 1346 CB ALA A 95 21.133 12.443 10.382 1.00 0.00 C ATOM 0 H ALA A 95 22.110 13.144 8.216 1.00 0.00 H new ATOM 0 HA ALA A 95 20.480 10.942 9.008 1.00 0.00 H new ATOM 0 HB1 ALA A 95 20.480 12.108 11.187 1.00 0.00 H new ATOM 0 HB2 ALA A 95 22.117 11.989 10.500 1.00 0.00 H new ATOM 0 HB3 ALA A 95 21.227 13.528 10.419 1.00 0.00 H new ATOM 1352 N CYS A 96 19.037 13.884 8.614 1.00 0.00 N ATOM 1353 CA CYS A 96 17.743 14.535 8.448 1.00 0.00 C ATOM 1354 C CYS A 96 16.997 13.962 7.248 1.00 0.00 C ATOM 1355 O CYS A 96 15.782 13.779 7.294 1.00 0.00 O ATOM 1356 CB CYS A 96 17.921 16.048 8.294 1.00 0.00 C ATOM 1357 SG CYS A 96 18.670 16.865 9.742 1.00 0.00 S ATOM 0 H CYS A 96 19.840 14.503 8.502 1.00 0.00 H new ATOM 0 HA CYS A 96 17.149 14.344 9.342 1.00 0.00 H new ATOM 0 HB2 CYS A 96 18.542 16.242 7.420 1.00 0.00 H new ATOM 0 HB3 CYS A 96 16.948 16.499 8.100 1.00 0.00 H new ATOM 1362 N LEU A 97 17.737 13.647 6.190 1.00 0.00 N ATOM 1363 CA LEU A 97 17.146 13.105 4.971 1.00 0.00 C ATOM 1364 C LEU A 97 16.416 11.791 5.267 1.00 0.00 C ATOM 1365 O LEU A 97 15.357 11.521 4.703 1.00 0.00 O ATOM 1366 CB LEU A 97 18.244 12.884 3.917 1.00 0.00 C ATOM 1367 CG LEU A 97 17.838 13.091 2.446 1.00 0.00 C ATOM 1368 CD1 LEU A 97 16.814 12.064 1.996 1.00 0.00 C ATOM 1369 CD2 LEU A 97 17.309 14.500 2.228 1.00 0.00 C ATOM 0 H LEU A 97 18.750 13.758 6.152 1.00 0.00 H new ATOM 0 HA LEU A 97 16.419 13.818 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 97 19.071 13.558 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 97 18.622 11.868 4.027 1.00 0.00 H new ATOM 0 HG LEU A 97 18.732 12.954 1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 97 16.553 12.243 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 97 17.233 11.063 2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 97 15.920 12.147 2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 97 17.028 14.625 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 97 16.436 14.663 2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 97 18.083 15.223 2.485 1.00 0.00 H new ATOM 1381 N ARG A 98 16.979 10.992 6.175 1.00 0.00 N ATOM 1382 CA ARG A 98 16.392 9.697 6.528 1.00 0.00 C ATOM 1383 C ARG A 98 14.983 9.877 7.069 1.00 0.00 C ATOM 1384 O ARG A 98 14.015 9.320 6.547 1.00 0.00 O ATOM 1385 CB ARG A 98 17.241 8.981 7.587 1.00 0.00 C ATOM 1386 CG ARG A 98 18.707 8.876 7.222 1.00 0.00 C ATOM 1387 CD ARG A 98 18.884 8.276 5.843 1.00 0.00 C ATOM 1388 NE ARG A 98 20.281 8.306 5.408 1.00 0.00 N ATOM 1389 CZ ARG A 98 20.875 7.321 4.734 1.00 0.00 C ATOM 1390 NH1 ARG A 98 20.201 6.220 4.430 1.00 0.00 N ATOM 1391 NH2 ARG A 98 22.147 7.433 4.372 1.00 0.00 N ATOM 0 H ARG A 98 17.837 11.217 6.678 1.00 0.00 H new ATOM 0 HA ARG A 98 16.362 9.093 5.621 1.00 0.00 H new ATOM 0 HB2 ARG A 98 17.149 9.512 8.534 1.00 0.00 H new ATOM 0 HB3 ARG A 98 16.842 7.979 7.743 1.00 0.00 H new ATOM 0 HG2 ARG A 98 19.164 9.865 7.253 1.00 0.00 H new ATOM 0 HG3 ARG A 98 19.225 8.262 7.958 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.528 7.246 5.847 1.00 0.00 H new ATOM 0 HD3 ARG A 98 18.270 8.823 5.128 1.00 0.00 H new ATOM 0 HE ARG A 98 20.835 9.132 5.635 1.00 0.00 H new ATOM 0 HH11 ARG A 98 19.225 6.125 4.712 1.00 0.00 H new ATOM 0 HH12 ARG A 98 20.658 5.468 3.914 1.00 0.00 H new ATOM 0 HH21 ARG A 98 22.673 8.274 4.609 1.00 0.00 H new ATOM 0 HH22 ARG A 98 22.599 6.678 3.856 1.00 0.00 H new ATOM 1405 N GLU A 99 14.886 10.677 8.113 1.00 0.00 N ATOM 1406 CA GLU A 99 13.621 10.896 8.804 1.00 0.00 C ATOM 1407 C GLU A 99 12.627 11.662 7.937 1.00 0.00 C ATOM 1408 O GLU A 99 11.430 11.375 7.959 1.00 0.00 O ATOM 1409 CB GLU A 99 13.852 11.620 10.131 1.00 0.00 C ATOM 1410 CG GLU A 99 14.727 12.856 10.034 1.00 0.00 C ATOM 1411 CD GLU A 99 15.105 13.399 11.395 1.00 0.00 C ATOM 1412 OE1 GLU A 99 14.296 14.137 11.996 1.00 0.00 O ATOM 1413 OE2 GLU A 99 16.206 13.081 11.882 1.00 0.00 O ATOM 0 H GLU A 99 15.673 11.192 8.507 1.00 0.00 H new ATOM 0 HA GLU A 99 13.186 9.918 9.011 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.886 11.907 10.546 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.307 10.923 10.835 1.00 0.00 H new ATOM 0 HG2 GLU A 99 15.632 12.615 9.477 1.00 0.00 H new ATOM 0 HG3 GLU A 99 14.202 13.627 9.470 1.00 0.00 H new ATOM 1420 N SER A 100 13.127 12.618 7.167 1.00 0.00 N ATOM 1421 CA SER A 100 12.281 13.394 6.264 1.00 0.00 C ATOM 1422 C SER A 100 11.479 12.491 5.325 1.00 0.00 C ATOM 1423 O SER A 100 10.329 12.790 4.998 1.00 0.00 O ATOM 1424 CB SER A 100 13.123 14.371 5.444 1.00 0.00 C ATOM 1425 OG SER A 100 13.737 15.336 6.278 1.00 0.00 O ATOM 0 H SER A 100 14.113 12.877 7.148 1.00 0.00 H new ATOM 0 HA SER A 100 11.578 13.954 6.881 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.887 13.824 4.892 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.493 14.870 4.707 1.00 0.00 H new ATOM 0 HG SER A 100 14.517 14.939 6.719 1.00 0.00 H new ATOM 1431 N MET A 101 12.082 11.385 4.899 1.00 0.00 N ATOM 1432 CA MET A 101 11.414 10.459 3.995 1.00 0.00 C ATOM 1433 C MET A 101 10.265 9.734 4.684 1.00 0.00 C ATOM 1434 O MET A 101 9.151 9.674 4.158 1.00 0.00 O ATOM 1435 CB MET A 101 12.388 9.422 3.447 1.00 0.00 C ATOM 1436 CG MET A 101 13.374 9.964 2.431 1.00 0.00 C ATOM 1437 SD MET A 101 14.100 8.652 1.433 1.00 0.00 S ATOM 1438 CE MET A 101 12.642 8.045 0.587 1.00 0.00 C ATOM 0 H MET A 101 13.028 11.110 5.165 1.00 0.00 H new ATOM 0 HA MET A 101 11.019 11.058 3.174 1.00 0.00 H new ATOM 0 HB2 MET A 101 12.943 8.988 4.278 1.00 0.00 H new ATOM 0 HB3 MET A 101 11.819 8.614 2.988 1.00 0.00 H new ATOM 0 HG2 MET A 101 12.869 10.678 1.780 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.165 10.508 2.947 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.872 7.886 -0.466 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.326 7.103 1.036 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.839 8.776 0.676 1.00 0.00 H new ATOM 1448 N MET A 102 10.532 9.185 5.861 1.00 0.00 N ATOM 1449 CA MET A 102 9.535 8.374 6.542 1.00 0.00 C ATOM 1450 C MET A 102 8.438 9.235 7.156 1.00 0.00 C ATOM 1451 O MET A 102 7.309 8.779 7.322 1.00 0.00 O ATOM 1452 CB MET A 102 10.172 7.474 7.600 1.00 0.00 C ATOM 1453 CG MET A 102 10.684 8.196 8.834 1.00 0.00 C ATOM 1454 SD MET A 102 11.470 7.063 9.993 1.00 0.00 S ATOM 1455 CE MET A 102 10.221 5.778 10.094 1.00 0.00 C ATOM 0 H MET A 102 11.417 9.284 6.358 1.00 0.00 H new ATOM 0 HA MET A 102 9.076 7.733 5.789 1.00 0.00 H new ATOM 0 HB2 MET A 102 9.439 6.730 7.911 1.00 0.00 H new ATOM 0 HB3 MET A 102 11.001 6.933 7.144 1.00 0.00 H new ATOM 0 HG2 MET A 102 11.398 8.964 8.536 1.00 0.00 H new ATOM 0 HG3 MET A 102 9.856 8.704 9.328 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.391 5.175 10.986 1.00 0.00 H new ATOM 0 HE2 MET A 102 9.233 6.235 10.147 1.00 0.00 H new ATOM 0 HE3 MET A 102 10.280 5.143 9.210 1.00 0.00 H new ATOM 1465 N GLN A 103 8.758 10.484 7.479 1.00 0.00 N ATOM 1466 CA GLN A 103 7.742 11.410 7.964 1.00 0.00 C ATOM 1467 C GLN A 103 6.831 11.843 6.824 1.00 0.00 C ATOM 1468 O GLN A 103 5.713 12.308 7.049 1.00 0.00 O ATOM 1469 CB GLN A 103 8.375 12.630 8.639 1.00 0.00 C ATOM 1470 CG GLN A 103 8.458 12.505 10.154 1.00 0.00 C ATOM 1471 CD GLN A 103 9.299 11.329 10.615 1.00 0.00 C ATOM 1472 OE1 GLN A 103 8.807 10.209 10.746 1.00 0.00 O ATOM 1473 NE2 GLN A 103 10.566 11.582 10.894 1.00 0.00 N ATOM 0 H GLN A 103 9.698 10.874 7.415 1.00 0.00 H new ATOM 0 HA GLN A 103 7.144 10.889 8.712 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.378 12.779 8.238 1.00 0.00 H new ATOM 0 HB3 GLN A 103 7.796 13.518 8.386 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.875 13.424 10.565 1.00 0.00 H new ATOM 0 HG3 GLN A 103 7.451 12.403 10.559 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.937 12.524 10.772 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.173 10.835 11.231 1.00 0.00 H new ATOM 1482 N ALA A 104 7.314 11.683 5.599 1.00 0.00 N ATOM 1483 CA ALA A 104 6.510 11.970 4.425 1.00 0.00 C ATOM 1484 C ALA A 104 5.506 10.851 4.182 1.00 0.00 C ATOM 1485 O ALA A 104 4.301 11.053 4.325 1.00 0.00 O ATOM 1486 CB ALA A 104 7.395 12.176 3.204 1.00 0.00 C ATOM 0 H ALA A 104 8.259 11.356 5.396 1.00 0.00 H new ATOM 0 HA ALA A 104 5.959 12.893 4.602 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.772 12.390 2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.070 13.013 3.381 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.977 11.273 3.020 1.00 0.00 H new ATOM 1492 N THR A 105 6.007 9.666 3.835 1.00 0.00 N ATOM 1493 CA THR A 105 5.139 8.520 3.572 1.00 0.00 C ATOM 1494 C THR A 105 5.933 7.290 3.125 1.00 0.00 C ATOM 1495 O THR A 105 5.570 6.160 3.451 1.00 0.00 O ATOM 1496 CB THR A 105 4.064 8.843 2.500 1.00 0.00 C ATOM 1497 OG1 THR A 105 3.221 7.707 2.276 1.00 0.00 O ATOM 1498 CG2 THR A 105 4.706 9.255 1.183 1.00 0.00 C ATOM 0 H THR A 105 7.004 9.475 3.730 1.00 0.00 H new ATOM 0 HA THR A 105 4.644 8.298 4.517 1.00 0.00 H new ATOM 0 HB THR A 105 3.466 9.673 2.876 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.548 7.928 1.599 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.928 9.475 0.452 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.319 10.143 1.339 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.332 8.443 0.813 1.00 0.00 H new ATOM 1506 N GLY A 106 7.031 7.506 2.409 1.00 0.00 N ATOM 1507 CA GLY A 106 7.718 6.400 1.764 1.00 0.00 C ATOM 1508 C GLY A 106 8.794 5.757 2.617 1.00 0.00 C ATOM 1509 O GLY A 106 9.738 5.181 2.076 1.00 0.00 O ATOM 0 H GLY A 106 7.457 8.421 2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.985 5.641 1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.169 6.757 0.838 1.00 0.00 H new ATOM 1513 N SER A 107 8.638 5.834 3.944 1.00 0.00 N ATOM 1514 CA SER A 107 9.598 5.262 4.896 1.00 0.00 C ATOM 1515 C SER A 107 11.042 5.662 4.566 1.00 0.00 C ATOM 1516 O SER A 107 11.279 6.616 3.824 1.00 0.00 O ATOM 1517 CB SER A 107 9.436 3.732 4.973 1.00 0.00 C ATOM 1518 OG SER A 107 9.337 3.130 3.693 1.00 0.00 O ATOM 0 H SER A 107 7.843 6.294 4.388 1.00 0.00 H new ATOM 0 HA SER A 107 9.378 5.677 5.880 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.286 3.307 5.506 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.544 3.493 5.553 1.00 0.00 H new ATOM 0 HG SER A 107 9.839 3.662 3.041 1.00 0.00 H new ATOM 1524 N VAL A 108 12.005 4.968 5.152 1.00 0.00 N ATOM 1525 CA VAL A 108 13.401 5.230 4.855 1.00 0.00 C ATOM 1526 C VAL A 108 13.872 4.290 3.754 1.00 0.00 C ATOM 1527 O VAL A 108 14.280 3.156 4.016 1.00 0.00 O ATOM 1528 CB VAL A 108 14.292 5.077 6.105 1.00 0.00 C ATOM 1529 CG1 VAL A 108 15.718 5.516 5.810 1.00 0.00 C ATOM 1530 CG2 VAL A 108 13.718 5.869 7.272 1.00 0.00 C ATOM 0 H VAL A 108 11.846 4.224 5.831 1.00 0.00 H new ATOM 0 HA VAL A 108 13.487 6.263 4.519 1.00 0.00 H new ATOM 0 HB VAL A 108 14.312 4.023 6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 108 16.327 5.399 6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 108 16.129 4.902 5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 108 15.721 6.562 5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.360 5.749 8.144 1.00 0.00 H new ATOM 0 HG22 VAL A 108 13.664 6.924 7.004 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.718 5.502 7.504 1.00 0.00 H new ATOM 1540 N ASP A 109 13.772 4.758 2.520 1.00 0.00 N ATOM 1541 CA ASP A 109 14.104 3.948 1.352 1.00 0.00 C ATOM 1542 C ASP A 109 15.614 3.770 1.195 1.00 0.00 C ATOM 1543 O ASP A 109 16.408 4.596 1.655 1.00 0.00 O ATOM 1544 CB ASP A 109 13.509 4.568 0.086 1.00 0.00 C ATOM 1545 CG ASP A 109 14.000 3.883 -1.172 1.00 0.00 C ATOM 1546 OD1 ASP A 109 13.801 2.656 -1.305 1.00 0.00 O ATOM 1547 OD2 ASP A 109 14.642 4.560 -1.996 1.00 0.00 O ATOM 0 H ASP A 109 13.461 5.703 2.297 1.00 0.00 H new ATOM 0 HA ASP A 109 13.669 2.960 1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.422 4.507 0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.767 5.626 0.046 1.00 0.00 H new ATOM 1552 N ASN A 110 15.995 2.689 0.523 1.00 0.00 N ATOM 1553 CA ASN A 110 17.397 2.310 0.379 1.00 0.00 C ATOM 1554 C ASN A 110 18.031 2.883 -0.890 1.00 0.00 C ATOM 1555 O ASN A 110 19.237 2.746 -1.098 1.00 0.00 O ATOM 1556 CB ASN A 110 17.541 0.778 0.384 1.00 0.00 C ATOM 1557 CG ASN A 110 17.054 0.081 -0.890 1.00 0.00 C ATOM 1558 OD1 ASN A 110 16.012 0.599 -1.535 1.00 0.00 O flip ATOM 1559 ND2 ASN A 110 17.610 -0.945 -1.283 1.00 0.00 N flip ATOM 0 H ASN A 110 15.344 2.052 0.064 1.00 0.00 H new ATOM 0 HA ASN A 110 17.928 2.734 1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 110 18.590 0.527 0.540 1.00 0.00 H new ATOM 0 HB3 ASN A 110 16.988 0.378 1.234 1.00 0.00 H new ATOM 0 HD21 ASN A 110 18.407 -1.322 -0.770 1.00 0.00 H new ATOM 0 HD22 ASN A 110 17.273 -1.418 -2.121 1.00 0.00 H new ATOM 1566 N ALA A 111 17.234 3.523 -1.737 1.00 0.00 N ATOM 1567 CA ALA A 111 17.740 4.049 -3.001 1.00 0.00 C ATOM 1568 C ALA A 111 17.770 5.573 -3.001 1.00 0.00 C ATOM 1569 O ALA A 111 18.808 6.170 -3.267 1.00 0.00 O ATOM 1570 CB ALA A 111 16.904 3.532 -4.164 1.00 0.00 C ATOM 0 H ALA A 111 16.241 3.690 -1.574 1.00 0.00 H new ATOM 0 HA ALA A 111 18.765 3.698 -3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 111 17.294 3.933 -5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 111 16.950 2.443 -4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 111 15.869 3.849 -4.037 1.00 0.00 H new ATOM 1576 N PHE A 112 16.634 6.193 -2.696 1.00 0.00 N ATOM 1577 CA PHE A 112 16.520 7.654 -2.712 1.00 0.00 C ATOM 1578 C PHE A 112 17.561 8.301 -1.801 1.00 0.00 C ATOM 1579 O PHE A 112 18.279 9.208 -2.223 1.00 0.00 O ATOM 1580 CB PHE A 112 15.114 8.090 -2.291 1.00 0.00 C ATOM 1581 CG PHE A 112 14.903 9.581 -2.318 1.00 0.00 C ATOM 1582 CD1 PHE A 112 14.613 10.232 -3.505 1.00 0.00 C ATOM 1583 CD2 PHE A 112 14.993 10.330 -1.157 1.00 0.00 C ATOM 1584 CE1 PHE A 112 14.410 11.598 -3.527 1.00 0.00 C ATOM 1585 CE2 PHE A 112 14.793 11.696 -1.175 1.00 0.00 C ATOM 1586 CZ PHE A 112 14.502 12.331 -2.363 1.00 0.00 C ATOM 0 H PHE A 112 15.776 5.708 -2.434 1.00 0.00 H new ATOM 0 HA PHE A 112 16.704 7.988 -3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 112 14.385 7.618 -2.950 1.00 0.00 H new ATOM 0 HB3 PHE A 112 14.917 7.723 -1.284 1.00 0.00 H new ATOM 0 HD1 PHE A 112 14.545 9.666 -4.422 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.223 9.838 -0.223 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.179 12.093 -4.458 1.00 0.00 H new ATOM 0 HE2 PHE A 112 14.864 12.266 -0.260 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.346 13.400 -2.382 1.00 0.00 H new ATOM 1596 N THR A 113 17.643 7.827 -0.561 1.00 0.00 N ATOM 1597 CA THR A 113 18.620 8.341 0.392 1.00 0.00 C ATOM 1598 C THR A 113 20.034 8.198 -0.160 1.00 0.00 C ATOM 1599 O THR A 113 20.855 9.108 -0.057 1.00 0.00 O ATOM 1600 CB THR A 113 18.522 7.599 1.741 1.00 0.00 C ATOM 1601 OG1 THR A 113 18.595 6.181 1.531 1.00 0.00 O ATOM 1602 CG2 THR A 113 17.230 7.948 2.462 1.00 0.00 C ATOM 0 H THR A 113 17.044 7.088 -0.193 1.00 0.00 H new ATOM 0 HA THR A 113 18.399 9.396 0.553 1.00 0.00 H new ATOM 0 HB THR A 113 19.359 7.915 2.363 1.00 0.00 H new ATOM 0 HG1 THR A 113 17.689 5.809 1.492 1.00 0.00 H new ATOM 0 HG21 THR A 113 17.186 7.412 3.410 1.00 0.00 H new ATOM 0 HG22 THR A 113 17.197 9.021 2.650 1.00 0.00 H new ATOM 0 HG23 THR A 113 16.379 7.662 1.843 1.00 0.00 H new ATOM 1610 N ASN A 114 20.285 7.046 -0.763 1.00 0.00 N ATOM 1611 CA ASN A 114 21.567 6.732 -1.380 1.00 0.00 C ATOM 1612 C ASN A 114 21.887 7.695 -2.517 1.00 0.00 C ATOM 1613 O ASN A 114 22.980 8.257 -2.572 1.00 0.00 O ATOM 1614 CB ASN A 114 21.519 5.291 -1.894 1.00 0.00 C ATOM 1615 CG ASN A 114 22.676 4.929 -2.801 1.00 0.00 C ATOM 1616 OD1 ASN A 114 23.749 4.547 -2.338 1.00 0.00 O ATOM 1617 ND2 ASN A 114 22.450 5.016 -4.103 1.00 0.00 N ATOM 0 H ASN A 114 19.599 6.295 -0.839 1.00 0.00 H new ATOM 0 HA ASN A 114 22.358 6.838 -0.637 1.00 0.00 H new ATOM 0 HB2 ASN A 114 21.510 4.611 -1.042 1.00 0.00 H new ATOM 0 HB3 ASN A 114 20.584 5.138 -2.434 1.00 0.00 H new ATOM 0 HD21 ASN A 114 23.182 4.761 -4.766 1.00 0.00 H new ATOM 0 HD22 ASN A 114 21.544 5.338 -4.443 1.00 0.00 H new ATOM 1624 N GLU A 115 20.922 7.887 -3.410 1.00 0.00 N ATOM 1625 CA GLU A 115 21.071 8.790 -4.525 1.00 0.00 C ATOM 1626 C GLU A 115 21.405 10.193 -4.038 1.00 0.00 C ATOM 1627 O GLU A 115 22.370 10.805 -4.491 1.00 0.00 O ATOM 1628 CB GLU A 115 19.772 8.815 -5.316 1.00 0.00 C ATOM 1629 CG GLU A 115 19.395 7.495 -5.969 1.00 0.00 C ATOM 1630 CD GLU A 115 20.463 6.949 -6.892 1.00 0.00 C ATOM 1631 OE1 GLU A 115 20.649 7.509 -7.991 1.00 0.00 O ATOM 1632 OE2 GLU A 115 21.100 5.932 -6.539 1.00 0.00 O ATOM 0 H GLU A 115 20.018 7.417 -3.373 1.00 0.00 H new ATOM 0 HA GLU A 115 21.888 8.445 -5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 115 18.964 9.118 -4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 115 19.850 9.578 -6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 115 19.189 6.760 -5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 115 18.472 7.629 -6.534 1.00 0.00 H new ATOM 1639 N VAL A 116 20.601 10.689 -3.103 1.00 0.00 N ATOM 1640 CA VAL A 116 20.813 12.012 -2.530 1.00 0.00 C ATOM 1641 C VAL A 116 22.194 12.114 -1.886 1.00 0.00 C ATOM 1642 O VAL A 116 22.922 13.074 -2.122 1.00 0.00 O ATOM 1643 CB VAL A 116 19.722 12.359 -1.491 1.00 0.00 C ATOM 1644 CG1 VAL A 116 19.988 13.709 -0.842 1.00 0.00 C ATOM 1645 CG2 VAL A 116 18.347 12.352 -2.140 1.00 0.00 C ATOM 0 H VAL A 116 19.794 10.192 -2.725 1.00 0.00 H new ATOM 0 HA VAL A 116 20.751 12.731 -3.347 1.00 0.00 H new ATOM 0 HB VAL A 116 19.750 11.597 -0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 116 19.204 13.925 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 116 20.954 13.686 -0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 116 19.998 14.485 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 116 17.591 12.598 -1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 116 18.319 13.090 -2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 116 18.143 11.363 -2.550 1.00 0.00 H new ATOM 1655 N MET A 117 22.557 11.113 -1.092 1.00 0.00 N ATOM 1656 CA MET A 117 23.858 11.088 -0.426 1.00 0.00 C ATOM 1657 C MET A 117 24.997 11.167 -1.437 1.00 0.00 C ATOM 1658 O MET A 117 25.911 11.977 -1.284 1.00 0.00 O ATOM 1659 CB MET A 117 23.991 9.825 0.430 1.00 0.00 C ATOM 1660 CG MET A 117 23.200 9.862 1.736 1.00 0.00 C ATOM 1661 SD MET A 117 23.972 10.842 3.053 1.00 0.00 S ATOM 1662 CE MET A 117 23.692 12.535 2.518 1.00 0.00 C ATOM 0 H MET A 117 21.968 10.305 -0.892 1.00 0.00 H new ATOM 0 HA MET A 117 23.923 11.962 0.222 1.00 0.00 H new ATOM 0 HB2 MET A 117 23.661 8.967 -0.156 1.00 0.00 H new ATOM 0 HB3 MET A 117 25.044 9.667 0.662 1.00 0.00 H new ATOM 0 HG2 MET A 117 22.208 10.265 1.534 1.00 0.00 H new ATOM 0 HG3 MET A 117 23.063 8.841 2.092 1.00 0.00 H new ATOM 0 HE1 MET A 117 23.682 13.194 3.386 1.00 0.00 H new ATOM 0 HE2 MET A 117 24.490 12.839 1.841 1.00 0.00 H new ATOM 0 HE3 MET A 117 22.734 12.600 2.002 1.00 0.00 H new ATOM 1672 N GLN A 118 24.928 10.344 -2.475 1.00 0.00 N ATOM 1673 CA GLN A 118 25.937 10.354 -3.529 1.00 0.00 C ATOM 1674 C GLN A 118 25.978 11.715 -4.222 1.00 0.00 C ATOM 1675 O GLN A 118 27.035 12.335 -4.343 1.00 0.00 O ATOM 1676 CB GLN A 118 25.638 9.261 -4.560 1.00 0.00 C ATOM 1677 CG GLN A 118 26.588 9.261 -5.751 1.00 0.00 C ATOM 1678 CD GLN A 118 26.160 8.298 -6.841 1.00 0.00 C ATOM 1679 OE1 GLN A 118 25.395 8.656 -7.738 1.00 0.00 O ATOM 1680 NE2 GLN A 118 26.657 7.074 -6.783 1.00 0.00 N ATOM 0 H GLN A 118 24.184 9.660 -2.611 1.00 0.00 H new ATOM 0 HA GLN A 118 26.908 10.161 -3.073 1.00 0.00 H new ATOM 0 HB2 GLN A 118 25.686 8.289 -4.069 1.00 0.00 H new ATOM 0 HB3 GLN A 118 24.617 9.385 -4.922 1.00 0.00 H new ATOM 0 HG2 GLN A 118 26.646 10.268 -6.164 1.00 0.00 H new ATOM 0 HG3 GLN A 118 27.590 8.997 -5.412 1.00 0.00 H new ATOM 0 HE21 GLN A 118 27.288 6.815 -6.024 1.00 0.00 H new ATOM 0 HE22 GLN A 118 26.410 6.389 -7.497 1.00 0.00 H new ATOM 1689 N LEU A 119 24.812 12.180 -4.649 1.00 0.00 N ATOM 1690 CA LEU A 119 24.709 13.396 -5.439 1.00 0.00 C ATOM 1691 C LEU A 119 25.082 14.645 -4.643 1.00 0.00 C ATOM 1692 O LEU A 119 25.867 15.453 -5.117 1.00 0.00 O ATOM 1693 CB LEU A 119 23.303 13.520 -6.024 1.00 0.00 C ATOM 1694 CG LEU A 119 23.018 12.581 -7.201 1.00 0.00 C ATOM 1695 CD1 LEU A 119 21.526 12.302 -7.319 1.00 0.00 C ATOM 1696 CD2 LEU A 119 23.542 13.184 -8.494 1.00 0.00 C ATOM 0 H LEU A 119 23.918 11.728 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 119 25.431 13.321 -6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 119 22.577 13.324 -5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 119 23.149 14.548 -6.351 1.00 0.00 H new ATOM 0 HG LEU A 119 23.531 11.637 -7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 119 21.346 11.633 -8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 119 21.170 11.834 -6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 119 20.992 13.239 -7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 119 23.333 12.507 -9.322 1.00 0.00 H new ATOM 0 HD22 LEU A 119 23.051 14.140 -8.675 1.00 0.00 H new ATOM 0 HD23 LEU A 119 24.618 13.338 -8.414 1.00 0.00 H new ATOM 1708 N VAL A 120 24.546 14.802 -3.436 1.00 0.00 N ATOM 1709 CA VAL A 120 24.818 16.005 -2.642 1.00 0.00 C ATOM 1710 C VAL A 120 26.316 16.173 -2.394 1.00 0.00 C ATOM 1711 O VAL A 120 26.849 17.278 -2.489 1.00 0.00 O ATOM 1712 CB VAL A 120 24.066 15.988 -1.291 1.00 0.00 C ATOM 1713 CG1 VAL A 120 24.494 17.151 -0.407 1.00 0.00 C ATOM 1714 CG2 VAL A 120 22.566 16.037 -1.524 1.00 0.00 C ATOM 0 H VAL A 120 23.929 14.125 -2.988 1.00 0.00 H new ATOM 0 HA VAL A 120 24.455 16.853 -3.223 1.00 0.00 H new ATOM 0 HB VAL A 120 24.319 15.060 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 120 23.948 17.112 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 120 25.564 17.083 -0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 120 24.277 18.092 -0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 120 22.048 16.024 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 120 22.311 16.950 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 120 22.261 15.172 -2.112 1.00 0.00 H new ATOM 1724 N LYS A 121 26.991 15.070 -2.107 1.00 0.00 N ATOM 1725 CA LYS A 121 28.425 15.095 -1.848 1.00 0.00 C ATOM 1726 C LYS A 121 29.208 15.406 -3.120 1.00 0.00 C ATOM 1727 O LYS A 121 30.102 16.255 -3.127 1.00 0.00 O ATOM 1728 CB LYS A 121 28.879 13.749 -1.277 1.00 0.00 C ATOM 1729 CG LYS A 121 28.282 13.436 0.085 1.00 0.00 C ATOM 1730 CD LYS A 121 28.628 12.029 0.559 1.00 0.00 C ATOM 1731 CE LYS A 121 29.996 11.959 1.241 1.00 0.00 C ATOM 1732 NZ LYS A 121 31.132 12.216 0.308 1.00 0.00 N ATOM 0 H LYS A 121 26.568 14.144 -2.047 1.00 0.00 H new ATOM 0 HA LYS A 121 28.623 15.883 -1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 121 28.607 12.957 -1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 121 29.966 13.745 -1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 121 28.644 14.162 0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 121 27.198 13.545 0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 121 27.862 11.685 1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 121 28.615 11.349 -0.293 1.00 0.00 H new ATOM 0 HE2 LYS A 121 30.028 12.687 2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 121 30.120 10.974 1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 31.971 11.692 0.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 30.873 11.902 -0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 31.345 13.234 0.292 1.00 0.00 H new ATOM 1746 N MET A 122 28.844 14.733 -4.200 1.00 0.00 N ATOM 1747 CA MET A 122 29.583 14.822 -5.452 1.00 0.00 C ATOM 1748 C MET A 122 29.272 16.108 -6.216 1.00 0.00 C ATOM 1749 O MET A 122 30.116 16.626 -6.946 1.00 0.00 O ATOM 1750 CB MET A 122 29.288 13.572 -6.297 1.00 0.00 C ATOM 1751 CG MET A 122 29.790 13.630 -7.730 1.00 0.00 C ATOM 1752 SD MET A 122 28.556 14.272 -8.881 1.00 0.00 S ATOM 1753 CE MET A 122 27.265 13.031 -8.739 1.00 0.00 C ATOM 0 H MET A 122 28.034 14.114 -4.235 1.00 0.00 H new ATOM 0 HA MET A 122 30.649 14.860 -5.228 1.00 0.00 H new ATOM 0 HB2 MET A 122 29.735 12.707 -5.807 1.00 0.00 H new ATOM 0 HB3 MET A 122 28.210 13.409 -6.312 1.00 0.00 H new ATOM 0 HG2 MET A 122 30.680 14.257 -7.773 1.00 0.00 H new ATOM 0 HG3 MET A 122 30.089 12.630 -8.046 1.00 0.00 H new ATOM 0 HE1 MET A 122 26.606 13.091 -9.605 1.00 0.00 H new ATOM 0 HE2 MET A 122 27.716 12.040 -8.694 1.00 0.00 H new ATOM 0 HE3 MET A 122 26.688 13.208 -7.831 1.00 0.00 H new ATOM 1763 N LEU A 123 28.076 16.640 -6.031 1.00 0.00 N ATOM 1764 CA LEU A 123 27.677 17.861 -6.721 1.00 0.00 C ATOM 1765 C LEU A 123 28.202 19.100 -6.006 1.00 0.00 C ATOM 1766 O LEU A 123 28.121 20.206 -6.539 1.00 0.00 O ATOM 1767 CB LEU A 123 26.154 17.945 -6.848 1.00 0.00 C ATOM 1768 CG LEU A 123 25.505 16.867 -7.720 1.00 0.00 C ATOM 1769 CD1 LEU A 123 23.997 17.041 -7.740 1.00 0.00 C ATOM 1770 CD2 LEU A 123 26.061 16.912 -9.133 1.00 0.00 C ATOM 0 H LEU A 123 27.365 16.250 -5.412 1.00 0.00 H new ATOM 0 HA LEU A 123 28.114 17.825 -7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 123 25.720 17.890 -5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 123 25.894 18.922 -7.255 1.00 0.00 H new ATOM 0 HG LEU A 123 25.739 15.893 -7.291 1.00 0.00 H new ATOM 0 HD11 LEU A 123 23.550 16.267 -8.364 1.00 0.00 H new ATOM 0 HD12 LEU A 123 23.608 16.959 -6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 123 23.749 18.022 -8.145 1.00 0.00 H new ATOM 0 HD21 LEU A 123 25.586 16.138 -9.736 1.00 0.00 H new ATOM 0 HD22 LEU A 123 25.859 17.889 -9.573 1.00 0.00 H new ATOM 0 HD23 LEU A 123 27.137 16.742 -9.106 1.00 0.00 H new ATOM 1782 N SER A 124 28.752 18.921 -4.811 1.00 0.00 N ATOM 1783 CA SER A 124 29.235 20.049 -4.039 1.00 0.00 C ATOM 1784 C SER A 124 30.752 20.081 -4.053 1.00 0.00 C ATOM 1785 O SER A 124 31.361 20.992 -4.619 1.00 0.00 O ATOM 1786 CB SER A 124 28.714 19.989 -2.598 1.00 0.00 C ATOM 1787 OG SER A 124 28.991 18.734 -1.998 1.00 0.00 O ATOM 0 H SER A 124 28.872 18.013 -4.363 1.00 0.00 H new ATOM 0 HA SER A 124 28.859 20.964 -4.496 1.00 0.00 H new ATOM 0 HB2 SER A 124 29.173 20.784 -2.010 1.00 0.00 H new ATOM 0 HB3 SER A 124 27.639 20.168 -2.591 1.00 0.00 H new ATOM 0 HG SER A 124 28.358 18.065 -2.333 1.00 0.00 H new ATOM 1793 N ALA A 125 31.353 19.063 -3.459 1.00 0.00 N ATOM 1794 CA ALA A 125 32.792 18.999 -3.340 1.00 0.00 C ATOM 1795 C ALA A 125 33.249 17.598 -2.974 1.00 0.00 C ATOM 1796 O ALA A 125 32.931 17.089 -1.900 1.00 0.00 O ATOM 1797 CB ALA A 125 33.268 19.996 -2.298 1.00 0.00 C ATOM 0 H ALA A 125 30.860 18.269 -3.051 1.00 0.00 H new ATOM 0 HA ALA A 125 33.228 19.253 -4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 125 34.353 19.943 -2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 125 32.976 21.003 -2.598 1.00 0.00 H new ATOM 0 HB3 ALA A 125 32.817 19.759 -1.335 1.00 0.00 H new