USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=37 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 67 ASN : amide:sc= 0.186 K(o=0.19,f=-8.6!) USER MOD Set 1.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 60 GLN : amide:sc= -0.655 K(o=-0.67,f=-7.6!) USER MOD Set 2.2: A 61 HIS : no HE2:sc= -0.0106 K(o=-0.67,f=-2.3) USER MOD Set 3.1: A 46 SER OG : rot -168:sc= 1.61 USER MOD Set 3.2: A 50 GLN : amide:sc= -0.455 K(o=1.2,f=-1.4!) USER MOD Set 4.1: A 40 MET CE :methyl -149:sc= -0.106 (180deg=-0.646) USER MOD Set 4.2: A 43 MET CE :methyl -134:sc= -0.317 (180deg=-1.46) USER MOD Set 5.1: A 36 GLN : amide:sc= 0.265 K(o=0.22,f=-7.9!) USER MOD Set 5.2: A 81 SER OG : rot -6:sc= -0.0483 USER MOD Set 6.1: A 16 MET CE :methyl 169:sc= -1.1 (180deg=-1.36) USER MOD Set 6.2: A 19 THR OG1 : rot 77:sc= 1.12 USER MOD Set 6.3: A 48 ASN : amide:sc= 0.461 K(o=0.48,f=-1.6) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.0398 K(o=0.04,f=-8.5!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 59:sc= 1.24 USER MOD Single : A 18 MET CE :methyl 168:sc= 0 (180deg=-0.174) USER MOD Single : A 20 ASN : amide:sc= 0.96 K(o=0.96,f=-0.04) USER MOD Single : A 21 ASN : amide:sc= -0.388 K(o=-0.39,f=-1.4!) USER MOD Single : A 24 GLN : amide:sc= -0.428 K(o=-0.43,f=-1.2) USER MOD Single : A 27 SER OG : rot 20:sc= 0.366 USER MOD Single : A 29 SER OG : rot -94:sc= 1.22 USER MOD Single : A 33 THR OG1 : rot -127:sc= 0.706 USER MOD Single : A 37 MET CE :methyl -178:sc= 0 (180deg=-0.00413) USER MOD Single : A 42 MET CE :methyl 160:sc= -0.113 (180deg=-0.566) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 154:sc= -0.984 (180deg=-3.14!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 138:sc= -4.23! (180deg=-6.11!) USER MOD Single : A 57 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.46) USER MOD Single : A 66 MET CE :methyl -134:sc= -0.179 (180deg=-1.64) USER MOD Single : A 70 MET CE :methyl 176:sc= -0.263 (180deg=-0.316) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN :FLIP amide:sc= -0.105 F(o=-1.1,f=-0.11) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot -117:sc= -1.87 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 92 THR OG1 : rot 78:sc= 1.29 USER MOD Single : A 100 SER OG : rot -69:sc= -0.486 USER MOD Single : A 101 MET CE :methyl 167:sc= -0.256 (180deg=-0.511) USER MOD Single : A 102 MET CE :methyl -157:sc= -0.514 (180deg=-1.77!) USER MOD Single : A 103 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.5) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 16:sc= 0.94 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 THR OG1 : rot -98:sc= 1.27 USER MOD Single : A 114 ASN : amide:sc=-0.00818 X(o=-0.0082,f=0) USER MOD Single : A 117 MET CE :methyl -164:sc= -0.249 (180deg=-0.711) USER MOD Single : A 118 GLN : amide:sc= -0.0489 K(o=-0.049,f=-0.56) USER MOD Single : A 121 LYS NZ :NH3+ 176:sc= -1.84 (180deg=-1.91) USER MOD Single : A 122 MET CE :methyl 150:sc= -1.04 (180deg=-1.77) USER MOD Single : A 124 SER OG : rot -76:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 8 8.926 7.854 -3.837 1.00 0.00 N ATOM 82 CA ILE A 8 8.351 8.813 -2.894 1.00 0.00 C ATOM 83 C ILE A 8 7.561 9.884 -3.642 1.00 0.00 C ATOM 84 O ILE A 8 6.575 10.416 -3.132 1.00 0.00 O ATOM 85 CB ILE A 8 9.434 9.499 -2.018 1.00 0.00 C ATOM 86 CG1 ILE A 8 8.806 10.564 -1.111 1.00 0.00 C ATOM 87 CG2 ILE A 8 10.526 10.113 -2.880 1.00 0.00 C ATOM 88 CD1 ILE A 8 8.031 10.002 0.052 1.00 0.00 C ATOM 0 HA ILE A 8 7.689 8.250 -2.236 1.00 0.00 H new ATOM 0 HB ILE A 8 9.888 8.733 -1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 8 9.595 11.212 -0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.142 11.189 -1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 8 11.271 10.587 -2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.001 9.333 -3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.089 10.860 -3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.619 10.819 0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.218 9.378 -0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 8 8.694 9.401 0.675 1.00 0.00 H new ATOM 100 N TRP A 9 7.998 10.188 -4.860 1.00 0.00 N ATOM 101 CA TRP A 9 7.362 11.219 -5.669 1.00 0.00 C ATOM 102 C TRP A 9 6.036 10.718 -6.244 1.00 0.00 C ATOM 103 O TRP A 9 5.908 10.501 -7.448 1.00 0.00 O ATOM 104 CB TRP A 9 8.281 11.656 -6.817 1.00 0.00 C ATOM 105 CG TRP A 9 9.691 11.981 -6.414 1.00 0.00 C ATOM 106 CD1 TRP A 9 10.755 11.124 -6.402 1.00 0.00 C ATOM 107 CD2 TRP A 9 10.202 13.258 -5.999 1.00 0.00 C ATOM 108 NE1 TRP A 9 11.890 11.783 -5.998 1.00 0.00 N ATOM 109 CE2 TRP A 9 11.577 13.092 -5.744 1.00 0.00 C ATOM 110 CE3 TRP A 9 9.635 14.523 -5.812 1.00 0.00 C ATOM 111 CZ2 TRP A 9 12.388 14.139 -5.315 1.00 0.00 C ATOM 112 CZ3 TRP A 9 10.442 15.562 -5.390 1.00 0.00 C ATOM 113 CH2 TRP A 9 11.806 15.365 -5.146 1.00 0.00 C ATOM 0 H TRP A 9 8.793 9.733 -5.309 1.00 0.00 H new ATOM 0 HA TRP A 9 7.170 12.074 -5.021 1.00 0.00 H new ATOM 0 HB2 TRP A 9 8.306 10.863 -7.564 1.00 0.00 H new ATOM 0 HB3 TRP A 9 7.845 12.532 -7.297 1.00 0.00 H new ATOM 0 HD1 TRP A 9 10.710 10.079 -6.671 1.00 0.00 H new ATOM 0 HE1 TRP A 9 12.816 11.366 -5.903 1.00 0.00 H new ATOM 0 HE3 TRP A 9 8.583 14.685 -5.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 13.440 13.988 -5.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 10.013 16.543 -5.246 1.00 0.00 H new ATOM 0 HH2 TRP A 9 12.411 16.197 -4.818 1.00 0.00 H new ATOM 124 N THR A 10 5.070 10.491 -5.370 1.00 0.00 N ATOM 125 CA THR A 10 3.735 10.095 -5.787 1.00 0.00 C ATOM 126 C THR A 10 2.771 11.267 -5.654 1.00 0.00 C ATOM 127 O THR A 10 1.812 11.402 -6.416 1.00 0.00 O ATOM 128 CB THR A 10 3.218 8.913 -4.947 1.00 0.00 C ATOM 129 OG1 THR A 10 3.404 9.188 -3.549 1.00 0.00 O ATOM 130 CG2 THR A 10 3.939 7.627 -5.317 1.00 0.00 C ATOM 0 H THR A 10 5.187 10.575 -4.360 1.00 0.00 H new ATOM 0 HA THR A 10 3.792 9.784 -6.830 1.00 0.00 H new ATOM 0 HB THR A 10 2.156 8.785 -5.155 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.072 8.433 -3.020 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.556 6.807 -4.710 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.772 7.406 -6.371 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.007 7.744 -5.136 1.00 0.00 H new ATOM 138 N ASN A 11 3.052 12.117 -4.680 1.00 0.00 N ATOM 139 CA ASN A 11 2.237 13.286 -4.414 1.00 0.00 C ATOM 140 C ASN A 11 3.149 14.463 -4.119 1.00 0.00 C ATOM 141 O ASN A 11 4.022 14.372 -3.256 1.00 0.00 O ATOM 142 CB ASN A 11 1.290 13.011 -3.231 1.00 0.00 C ATOM 143 CG ASN A 11 0.333 14.156 -2.916 1.00 0.00 C ATOM 144 OD1 ASN A 11 0.645 15.330 -3.104 1.00 0.00 O ATOM 145 ND2 ASN A 11 -0.841 13.814 -2.412 1.00 0.00 N ATOM 0 H ASN A 11 3.851 12.014 -4.054 1.00 0.00 H new ATOM 0 HA ASN A 11 1.624 13.520 -5.285 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.708 12.115 -3.447 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.887 12.797 -2.344 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.520 14.534 -2.166 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.067 12.830 -2.269 1.00 0.00 H new ATOM 152 N PRO A 12 2.981 15.565 -4.862 1.00 0.00 N ATOM 153 CA PRO A 12 3.754 16.791 -4.664 1.00 0.00 C ATOM 154 C PRO A 12 3.852 17.202 -3.195 1.00 0.00 C ATOM 155 O PRO A 12 4.929 17.528 -2.704 1.00 0.00 O ATOM 156 CB PRO A 12 2.968 17.833 -5.455 1.00 0.00 C ATOM 157 CG PRO A 12 2.307 17.060 -6.543 1.00 0.00 C ATOM 158 CD PRO A 12 2.036 15.686 -5.987 1.00 0.00 C ATOM 0 HA PRO A 12 4.788 16.671 -4.988 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.235 18.338 -4.826 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.626 18.603 -5.859 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.380 17.542 -6.854 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.948 17.003 -7.423 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.003 15.587 -5.653 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.205 14.912 -6.735 1.00 0.00 H new ATOM 166 N ASN A 13 2.727 17.160 -2.492 1.00 0.00 N ATOM 167 CA ASN A 13 2.696 17.548 -1.086 1.00 0.00 C ATOM 168 C ASN A 13 3.485 16.552 -0.243 1.00 0.00 C ATOM 169 O ASN A 13 4.181 16.935 0.693 1.00 0.00 O ATOM 170 CB ASN A 13 1.250 17.638 -0.586 1.00 0.00 C ATOM 171 CG ASN A 13 1.150 18.196 0.823 1.00 0.00 C ATOM 172 OD1 ASN A 13 1.097 19.412 1.016 1.00 0.00 O ATOM 173 ND2 ASN A 13 1.097 17.318 1.814 1.00 0.00 N ATOM 0 H ASN A 13 1.827 16.863 -2.870 1.00 0.00 H new ATOM 0 HA ASN A 13 3.158 18.530 -0.989 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.674 18.268 -1.264 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.798 16.646 -0.612 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.009 17.641 2.777 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.144 16.319 1.613 1.00 0.00 H new ATOM 180 N ALA A 14 3.399 15.278 -0.608 1.00 0.00 N ATOM 181 CA ALA A 14 4.102 14.218 0.110 1.00 0.00 C ATOM 182 C ALA A 14 5.607 14.349 -0.081 1.00 0.00 C ATOM 183 O ALA A 14 6.381 14.246 0.870 1.00 0.00 O ATOM 184 CB ALA A 14 3.638 12.855 -0.370 1.00 0.00 C ATOM 0 H ALA A 14 2.847 14.952 -1.401 1.00 0.00 H new ATOM 0 HA ALA A 14 3.873 14.316 1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.172 12.076 0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.567 12.752 -0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.842 12.756 -1.436 1.00 0.00 H new ATOM 190 N ALA A 15 6.009 14.581 -1.322 1.00 0.00 N ATOM 191 CA ALA A 15 7.412 14.763 -1.650 1.00 0.00 C ATOM 192 C ALA A 15 7.943 16.031 -1.001 1.00 0.00 C ATOM 193 O ALA A 15 9.055 16.062 -0.481 1.00 0.00 O ATOM 194 CB ALA A 15 7.597 14.813 -3.157 1.00 0.00 C ATOM 0 H ALA A 15 5.378 14.648 -2.121 1.00 0.00 H new ATOM 0 HA ALA A 15 7.978 13.916 -1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.653 14.950 -3.390 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.246 13.880 -3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.025 15.645 -3.566 1.00 0.00 H new ATOM 200 N MET A 16 7.133 17.077 -1.013 1.00 0.00 N ATOM 201 CA MET A 16 7.505 18.321 -0.375 1.00 0.00 C ATOM 202 C MET A 16 7.535 18.181 1.142 1.00 0.00 C ATOM 203 O MET A 16 8.204 18.952 1.825 1.00 0.00 O ATOM 204 CB MET A 16 6.565 19.439 -0.803 1.00 0.00 C ATOM 205 CG MET A 16 7.252 20.442 -1.696 1.00 0.00 C ATOM 206 SD MET A 16 8.681 21.191 -0.897 1.00 0.00 S ATOM 207 CE MET A 16 9.877 21.089 -2.221 1.00 0.00 C ATOM 0 H MET A 16 6.215 17.086 -1.458 1.00 0.00 H new ATOM 0 HA MET A 16 8.514 18.577 -0.698 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.709 19.013 -1.327 1.00 0.00 H new ATOM 0 HB3 MET A 16 6.178 19.946 0.081 1.00 0.00 H new ATOM 0 HG2 MET A 16 7.568 19.951 -2.617 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.544 21.222 -1.977 1.00 0.00 H new ATOM 0 HE1 MET A 16 10.755 21.681 -1.964 1.00 0.00 H new ATOM 0 HE2 MET A 16 10.171 20.049 -2.367 1.00 0.00 H new ATOM 0 HE3 MET A 16 9.436 21.474 -3.140 1.00 0.00 H new ATOM 217 N THR A 17 6.833 17.184 1.664 1.00 0.00 N ATOM 218 CA THR A 17 6.871 16.901 3.090 1.00 0.00 C ATOM 219 C THR A 17 8.293 16.552 3.519 1.00 0.00 C ATOM 220 O THR A 17 8.842 17.168 4.431 1.00 0.00 O ATOM 221 CB THR A 17 5.919 15.747 3.472 1.00 0.00 C ATOM 222 OG1 THR A 17 4.571 16.088 3.127 1.00 0.00 O ATOM 223 CG2 THR A 17 5.999 15.440 4.961 1.00 0.00 C ATOM 0 H THR A 17 6.233 16.561 1.123 1.00 0.00 H new ATOM 0 HA THR A 17 6.538 17.800 3.610 1.00 0.00 H new ATOM 0 HB THR A 17 6.227 14.860 2.918 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.516 16.271 2.166 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.318 14.623 5.201 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.018 15.151 5.219 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.718 16.326 5.531 1.00 0.00 H new ATOM 231 N MET A 18 8.905 15.591 2.831 1.00 0.00 N ATOM 232 CA MET A 18 10.264 15.180 3.159 1.00 0.00 C ATOM 233 C MET A 18 11.243 16.320 2.899 1.00 0.00 C ATOM 234 O MET A 18 12.198 16.512 3.650 1.00 0.00 O ATOM 235 CB MET A 18 10.681 13.935 2.362 1.00 0.00 C ATOM 236 CG MET A 18 10.850 14.184 0.877 1.00 0.00 C ATOM 237 SD MET A 18 11.495 12.760 -0.012 1.00 0.00 S ATOM 238 CE MET A 18 11.539 13.432 -1.670 1.00 0.00 C ATOM 0 H MET A 18 8.484 15.087 2.050 1.00 0.00 H new ATOM 0 HA MET A 18 10.286 14.926 4.219 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.619 13.555 2.766 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.933 13.156 2.507 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.887 14.465 0.450 1.00 0.00 H new ATOM 0 HG3 MET A 18 11.522 15.030 0.731 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.109 12.766 -2.318 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.522 13.527 -2.051 1.00 0.00 H new ATOM 0 HE3 MET A 18 12.013 14.413 -1.652 1.00 0.00 H new ATOM 248 N THR A 19 10.986 17.089 1.849 1.00 0.00 N ATOM 249 CA THR A 19 11.850 18.201 1.491 1.00 0.00 C ATOM 250 C THR A 19 11.814 19.283 2.575 1.00 0.00 C ATOM 251 O THR A 19 12.854 19.792 2.992 1.00 0.00 O ATOM 252 CB THR A 19 11.437 18.798 0.131 1.00 0.00 C ATOM 253 OG1 THR A 19 11.162 17.739 -0.796 1.00 0.00 O ATOM 254 CG2 THR A 19 12.543 19.675 -0.436 1.00 0.00 C ATOM 0 H THR A 19 10.185 16.961 1.231 1.00 0.00 H new ATOM 0 HA THR A 19 12.869 17.823 1.408 1.00 0.00 H new ATOM 0 HB THR A 19 10.546 19.407 0.283 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.283 17.352 -0.600 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.227 20.084 -1.396 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.751 20.491 0.256 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.445 19.079 -0.575 1.00 0.00 H new ATOM 262 N ASN A 20 10.611 19.609 3.050 1.00 0.00 N ATOM 263 CA ASN A 20 10.449 20.589 4.123 1.00 0.00 C ATOM 264 C ASN A 20 11.012 20.055 5.435 1.00 0.00 C ATOM 265 O ASN A 20 11.634 20.794 6.200 1.00 0.00 O ATOM 266 CB ASN A 20 8.975 20.971 4.306 1.00 0.00 C ATOM 267 CG ASN A 20 8.509 22.051 3.343 1.00 0.00 C ATOM 268 OD1 ASN A 20 8.634 23.243 3.624 1.00 0.00 O ATOM 269 ND2 ASN A 20 7.952 21.648 2.213 1.00 0.00 N ATOM 0 H ASN A 20 9.737 19.209 2.709 1.00 0.00 H new ATOM 0 HA ASN A 20 11.006 21.482 3.838 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.357 20.083 4.171 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.820 21.315 5.329 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.609 22.334 1.540 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.865 20.651 2.014 1.00 0.00 H new ATOM 276 N ASN A 21 10.803 18.765 5.691 1.00 0.00 N ATOM 277 CA ASN A 21 11.327 18.135 6.894 1.00 0.00 C ATOM 278 C ASN A 21 12.851 18.172 6.907 1.00 0.00 C ATOM 279 O ASN A 21 13.472 18.269 7.964 1.00 0.00 O ATOM 280 CB ASN A 21 10.850 16.686 7.015 1.00 0.00 C ATOM 281 CG ASN A 21 9.381 16.563 7.369 1.00 0.00 C ATOM 282 OD1 ASN A 21 8.798 17.458 7.978 1.00 0.00 O ATOM 283 ND2 ASN A 21 8.776 15.439 7.009 1.00 0.00 N ATOM 0 H ASN A 21 10.276 18.140 5.081 1.00 0.00 H new ATOM 0 HA ASN A 21 10.949 18.700 7.746 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.033 16.171 6.072 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.443 16.178 7.776 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.792 15.294 7.237 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.294 14.720 6.505 1.00 0.00 H new ATOM 290 N LEU A 22 13.448 18.092 5.725 1.00 0.00 N ATOM 291 CA LEU A 22 14.894 18.193 5.591 1.00 0.00 C ATOM 292 C LEU A 22 15.352 19.583 6.005 1.00 0.00 C ATOM 293 O LEU A 22 16.326 19.741 6.746 1.00 0.00 O ATOM 294 CB LEU A 22 15.315 17.905 4.147 1.00 0.00 C ATOM 295 CG LEU A 22 16.813 18.029 3.866 1.00 0.00 C ATOM 296 CD1 LEU A 22 17.597 16.978 4.639 1.00 0.00 C ATOM 297 CD2 LEU A 22 17.085 17.911 2.374 1.00 0.00 C ATOM 0 H LEU A 22 12.952 17.957 4.844 1.00 0.00 H new ATOM 0 HA LEU A 22 15.363 17.455 6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 22 14.996 16.896 3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.780 18.588 3.487 1.00 0.00 H new ATOM 0 HG LEU A 22 17.144 19.012 4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.660 17.086 4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 22 17.428 17.111 5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.265 15.984 4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 22 18.156 18.001 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.736 16.942 2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.558 18.705 1.844 1.00 0.00 H new ATOM 309 N VAL A 23 14.624 20.588 5.536 1.00 0.00 N ATOM 310 CA VAL A 23 14.921 21.975 5.862 1.00 0.00 C ATOM 311 C VAL A 23 14.796 22.222 7.365 1.00 0.00 C ATOM 312 O VAL A 23 15.692 22.798 7.980 1.00 0.00 O ATOM 313 CB VAL A 23 13.990 22.947 5.103 1.00 0.00 C ATOM 314 CG1 VAL A 23 14.304 24.395 5.455 1.00 0.00 C ATOM 315 CG2 VAL A 23 14.100 22.730 3.601 1.00 0.00 C ATOM 0 H VAL A 23 13.817 20.466 4.924 1.00 0.00 H new ATOM 0 HA VAL A 23 15.949 22.163 5.552 1.00 0.00 H new ATOM 0 HB VAL A 23 12.965 22.739 5.411 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.634 25.056 4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.168 24.547 6.526 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.336 24.619 5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.437 23.424 3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.128 22.904 3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.814 21.706 3.359 1.00 0.00 H new ATOM 325 N GLN A 24 13.702 21.755 7.960 1.00 0.00 N ATOM 326 CA GLN A 24 13.449 21.989 9.379 1.00 0.00 C ATOM 327 C GLN A 24 14.447 21.218 10.244 1.00 0.00 C ATOM 328 O GLN A 24 14.714 21.595 11.384 1.00 0.00 O ATOM 329 CB GLN A 24 12.014 21.597 9.751 1.00 0.00 C ATOM 330 CG GLN A 24 11.791 20.098 9.850 1.00 0.00 C ATOM 331 CD GLN A 24 10.344 19.739 10.118 1.00 0.00 C ATOM 332 OE1 GLN A 24 9.428 20.446 9.702 1.00 0.00 O ATOM 333 NE2 GLN A 24 10.127 18.642 10.820 1.00 0.00 N ATOM 0 H GLN A 24 12.979 21.215 7.485 1.00 0.00 H new ATOM 0 HA GLN A 24 13.576 23.055 9.568 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.758 22.056 10.706 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.331 22.008 9.007 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.113 19.625 8.922 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.415 19.694 10.647 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.914 18.082 11.147 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.172 18.355 11.035 1.00 0.00 H new ATOM 342 N CYS A 25 14.991 20.137 9.700 1.00 0.00 N ATOM 343 CA CYS A 25 15.998 19.358 10.405 1.00 0.00 C ATOM 344 C CYS A 25 17.335 20.092 10.386 1.00 0.00 C ATOM 345 O CYS A 25 17.956 20.306 11.427 1.00 0.00 O ATOM 346 CB CYS A 25 16.142 17.968 9.778 1.00 0.00 C ATOM 347 SG CYS A 25 17.241 16.841 10.700 1.00 0.00 S ATOM 0 H CYS A 25 14.752 19.781 8.775 1.00 0.00 H new ATOM 0 HA CYS A 25 15.680 19.234 11.440 1.00 0.00 H new ATOM 0 HB2 CYS A 25 15.155 17.512 9.701 1.00 0.00 H new ATOM 0 HB3 CYS A 25 16.522 18.078 8.762 1.00 0.00 H new ATOM 352 N ALA A 26 17.758 20.510 9.198 1.00 0.00 N ATOM 353 CA ALA A 26 19.022 21.215 9.037 1.00 0.00 C ATOM 354 C ALA A 26 18.983 22.583 9.715 1.00 0.00 C ATOM 355 O ALA A 26 20.003 23.078 10.198 1.00 0.00 O ATOM 356 CB ALA A 26 19.349 21.358 7.557 1.00 0.00 C ATOM 0 H ALA A 26 17.241 20.371 8.330 1.00 0.00 H new ATOM 0 HA ALA A 26 19.806 20.631 9.519 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.296 21.886 7.443 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.428 20.369 7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.558 21.921 7.062 1.00 0.00 H new ATOM 362 N SER A 27 17.798 23.179 9.768 1.00 0.00 N ATOM 363 CA SER A 27 17.621 24.489 10.383 1.00 0.00 C ATOM 364 C SER A 27 17.749 24.404 11.902 1.00 0.00 C ATOM 365 O SER A 27 17.865 25.423 12.578 1.00 0.00 O ATOM 366 CB SER A 27 16.256 25.067 10.005 1.00 0.00 C ATOM 367 OG SER A 27 16.144 26.432 10.379 1.00 0.00 O ATOM 0 H SER A 27 16.941 22.774 9.391 1.00 0.00 H new ATOM 0 HA SER A 27 18.406 25.147 10.011 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.105 24.970 8.930 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.469 24.490 10.491 1.00 0.00 H new ATOM 0 HG SER A 27 17.039 26.811 10.507 1.00 0.00 H new ATOM 373 N ARG A 28 17.728 23.189 12.434 1.00 0.00 N ATOM 374 CA ARG A 28 17.812 22.985 13.875 1.00 0.00 C ATOM 375 C ARG A 28 18.973 22.064 14.215 1.00 0.00 C ATOM 376 O ARG A 28 19.027 21.482 15.296 1.00 0.00 O ATOM 377 CB ARG A 28 16.495 22.407 14.398 1.00 0.00 C ATOM 378 CG ARG A 28 15.308 23.329 14.174 1.00 0.00 C ATOM 379 CD ARG A 28 15.441 24.625 14.964 1.00 0.00 C ATOM 380 NE ARG A 28 14.533 25.657 14.469 1.00 0.00 N ATOM 381 CZ ARG A 28 14.392 26.858 15.029 1.00 0.00 C ATOM 382 NH1 ARG A 28 15.018 27.145 16.163 1.00 0.00 N ATOM 383 NH2 ARG A 28 13.611 27.765 14.458 1.00 0.00 N ATOM 0 H ARG A 28 17.654 22.330 11.890 1.00 0.00 H new ATOM 0 HA ARG A 28 17.988 23.946 14.357 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.304 21.453 13.907 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.593 22.203 15.464 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.221 23.558 13.112 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.391 22.818 14.466 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.233 24.432 16.016 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.468 24.985 14.903 1.00 0.00 H new ATOM 0 HE ARG A 28 13.972 25.445 13.644 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.610 26.445 16.610 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.907 28.066 16.588 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.120 27.543 13.592 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.501 28.685 14.885 1.00 0.00 H new ATOM 397 N SER A 29 19.908 21.947 13.280 1.00 0.00 N ATOM 398 CA SER A 29 21.086 21.117 13.477 1.00 0.00 C ATOM 399 C SER A 29 22.066 21.790 14.433 1.00 0.00 C ATOM 400 O SER A 29 22.684 21.137 15.272 1.00 0.00 O ATOM 401 CB SER A 29 21.766 20.855 12.131 1.00 0.00 C ATOM 402 OG SER A 29 22.131 22.073 11.495 1.00 0.00 O ATOM 0 H SER A 29 19.871 22.418 12.376 1.00 0.00 H new ATOM 0 HA SER A 29 20.774 20.169 13.915 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.653 20.240 12.282 1.00 0.00 H new ATOM 0 HB3 SER A 29 21.094 20.291 11.484 1.00 0.00 H new ATOM 0 HG SER A 29 21.418 22.349 10.882 1.00 0.00 H new ATOM 408 N GLY A 30 22.207 23.101 14.289 1.00 0.00 N ATOM 409 CA GLY A 30 23.155 23.844 15.092 1.00 0.00 C ATOM 410 C GLY A 30 24.491 23.957 14.393 1.00 0.00 C ATOM 411 O GLY A 30 25.324 24.794 14.739 1.00 0.00 O ATOM 0 H GLY A 30 21.677 23.665 13.625 1.00 0.00 H new ATOM 0 HA2 GLY A 30 22.762 24.840 15.295 1.00 0.00 H new ATOM 0 HA3 GLY A 30 23.286 23.351 16.055 1.00 0.00 H new ATOM 415 N VAL A 31 24.680 23.113 13.390 1.00 0.00 N ATOM 416 CA VAL A 31 25.910 23.088 12.621 1.00 0.00 C ATOM 417 C VAL A 31 25.879 24.152 11.532 1.00 0.00 C ATOM 418 O VAL A 31 26.820 24.929 11.376 1.00 0.00 O ATOM 419 CB VAL A 31 26.125 21.705 11.975 1.00 0.00 C ATOM 420 CG1 VAL A 31 27.390 21.689 11.130 1.00 0.00 C ATOM 421 CG2 VAL A 31 26.175 20.619 13.038 1.00 0.00 C ATOM 0 H VAL A 31 23.986 22.429 13.089 1.00 0.00 H new ATOM 0 HA VAL A 31 26.734 23.293 13.304 1.00 0.00 H new ATOM 0 HB VAL A 31 25.279 21.504 11.318 1.00 0.00 H new ATOM 0 HG11 VAL A 31 27.518 20.702 10.686 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.309 22.435 10.339 1.00 0.00 H new ATOM 0 HG13 VAL A 31 28.250 21.918 11.759 1.00 0.00 H new ATOM 0 HG21 VAL A 31 26.327 19.650 12.562 1.00 0.00 H new ATOM 0 HG22 VAL A 31 26.998 20.819 13.724 1.00 0.00 H new ATOM 0 HG23 VAL A 31 25.236 20.608 13.591 1.00 0.00 H new ATOM 431 N LEU A 32 24.786 24.179 10.785 1.00 0.00 N ATOM 432 CA LEU A 32 24.620 25.143 9.711 1.00 0.00 C ATOM 433 C LEU A 32 24.348 26.527 10.281 1.00 0.00 C ATOM 434 O LEU A 32 23.819 26.657 11.387 1.00 0.00 O ATOM 435 CB LEU A 32 23.476 24.729 8.772 1.00 0.00 C ATOM 436 CG LEU A 32 23.770 23.554 7.827 1.00 0.00 C ATOM 437 CD1 LEU A 32 23.881 22.240 8.588 1.00 0.00 C ATOM 438 CD2 LEU A 32 22.693 23.462 6.758 1.00 0.00 C ATOM 0 H LEU A 32 23.999 23.541 10.904 1.00 0.00 H new ATOM 0 HA LEU A 32 25.545 25.170 9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 32 22.609 24.472 9.380 1.00 0.00 H new ATOM 0 HB3 LEU A 32 23.197 25.593 8.169 1.00 0.00 H new ATOM 0 HG LEU A 32 24.732 23.739 7.348 1.00 0.00 H new ATOM 0 HD11 LEU A 32 24.089 21.431 7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 32 24.690 22.308 9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 32 22.943 22.039 9.106 1.00 0.00 H new ATOM 0 HD21 LEU A 32 22.911 22.626 6.093 1.00 0.00 H new ATOM 0 HD22 LEU A 32 21.723 23.307 7.231 1.00 0.00 H new ATOM 0 HD23 LEU A 32 22.672 24.387 6.182 1.00 0.00 H new ATOM 450 N THR A 33 24.707 27.556 9.533 1.00 0.00 N ATOM 451 CA THR A 33 24.486 28.922 9.976 1.00 0.00 C ATOM 452 C THR A 33 23.120 29.397 9.502 1.00 0.00 C ATOM 453 O THR A 33 22.514 28.768 8.630 1.00 0.00 O ATOM 454 CB THR A 33 25.601 29.881 9.477 1.00 0.00 C ATOM 455 OG1 THR A 33 25.294 31.239 9.829 1.00 0.00 O ATOM 456 CG2 THR A 33 25.797 29.776 7.971 1.00 0.00 C ATOM 0 H THR A 33 25.151 27.472 8.619 1.00 0.00 H new ATOM 0 HA THR A 33 24.518 28.934 11.065 1.00 0.00 H new ATOM 0 HB THR A 33 26.528 29.582 9.965 1.00 0.00 H new ATOM 0 HG1 THR A 33 25.332 31.801 9.027 1.00 0.00 H new ATOM 0 HG21 THR A 33 26.585 30.461 7.658 1.00 0.00 H new ATOM 0 HG22 THR A 33 26.079 28.756 7.711 1.00 0.00 H new ATOM 0 HG23 THR A 33 24.868 30.036 7.464 1.00 0.00 H new ATOM 464 N ALA A 34 22.635 30.494 10.075 1.00 0.00 N ATOM 465 CA ALA A 34 21.333 31.040 9.712 1.00 0.00 C ATOM 466 C ALA A 34 21.276 31.332 8.216 1.00 0.00 C ATOM 467 O ALA A 34 20.227 31.212 7.587 1.00 0.00 O ATOM 468 CB ALA A 34 21.041 32.302 10.513 1.00 0.00 C ATOM 0 H ALA A 34 23.126 31.024 10.795 1.00 0.00 H new ATOM 0 HA ALA A 34 20.570 30.298 9.949 1.00 0.00 H new ATOM 0 HB1 ALA A 34 20.065 32.696 10.229 1.00 0.00 H new ATOM 0 HB2 ALA A 34 21.041 32.066 11.577 1.00 0.00 H new ATOM 0 HB3 ALA A 34 21.808 33.049 10.307 1.00 0.00 H new ATOM 474 N ASP A 35 22.427 31.686 7.657 1.00 0.00 N ATOM 475 CA ASP A 35 22.549 31.964 6.229 1.00 0.00 C ATOM 476 C ASP A 35 22.249 30.708 5.424 1.00 0.00 C ATOM 477 O ASP A 35 21.483 30.735 4.463 1.00 0.00 O ATOM 478 CB ASP A 35 23.962 32.454 5.905 1.00 0.00 C ATOM 479 CG ASP A 35 24.442 33.512 6.873 1.00 0.00 C ATOM 480 OD1 ASP A 35 23.993 34.673 6.764 1.00 0.00 O ATOM 481 OD2 ASP A 35 25.253 33.179 7.765 1.00 0.00 O ATOM 0 H ASP A 35 23.299 31.788 8.177 1.00 0.00 H new ATOM 0 HA ASP A 35 21.832 32.741 5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 35 24.650 31.609 5.924 1.00 0.00 H new ATOM 0 HB3 ASP A 35 23.981 32.857 4.892 1.00 0.00 H new ATOM 486 N GLN A 36 22.844 29.601 5.850 1.00 0.00 N ATOM 487 CA GLN A 36 22.656 28.320 5.188 1.00 0.00 C ATOM 488 C GLN A 36 21.216 27.844 5.337 1.00 0.00 C ATOM 489 O GLN A 36 20.645 27.262 4.419 1.00 0.00 O ATOM 490 CB GLN A 36 23.628 27.285 5.755 1.00 0.00 C ATOM 491 CG GLN A 36 25.041 27.410 5.203 1.00 0.00 C ATOM 492 CD GLN A 36 26.046 26.589 5.985 1.00 0.00 C ATOM 493 OE1 GLN A 36 25.919 26.431 7.197 1.00 0.00 O ATOM 494 NE2 GLN A 36 27.038 26.044 5.298 1.00 0.00 N ATOM 0 H GLN A 36 23.466 29.567 6.658 1.00 0.00 H new ATOM 0 HA GLN A 36 22.863 28.445 4.125 1.00 0.00 H new ATOM 0 HB2 GLN A 36 23.660 27.385 6.840 1.00 0.00 H new ATOM 0 HB3 GLN A 36 23.249 26.286 5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 36 25.050 27.091 4.161 1.00 0.00 H new ATOM 0 HG3 GLN A 36 25.342 28.457 5.219 1.00 0.00 H new ATOM 0 HE21 GLN A 36 27.108 26.200 4.292 1.00 0.00 H new ATOM 0 HE22 GLN A 36 27.732 25.468 5.774 1.00 0.00 H new ATOM 503 N MET A 37 20.628 28.122 6.496 1.00 0.00 N ATOM 504 CA MET A 37 19.242 27.749 6.766 1.00 0.00 C ATOM 505 C MET A 37 18.291 28.490 5.834 1.00 0.00 C ATOM 506 O MET A 37 17.234 27.971 5.467 1.00 0.00 O ATOM 507 CB MET A 37 18.863 28.077 8.213 1.00 0.00 C ATOM 508 CG MET A 37 19.752 27.444 9.250 1.00 0.00 C ATOM 509 SD MET A 37 19.243 27.894 10.915 1.00 0.00 S ATOM 510 CE MET A 37 20.654 27.311 11.831 1.00 0.00 C ATOM 0 H MET A 37 21.090 28.606 7.266 1.00 0.00 H new ATOM 0 HA MET A 37 19.155 26.675 6.599 1.00 0.00 H new ATOM 0 HB2 MET A 37 18.886 29.159 8.345 1.00 0.00 H new ATOM 0 HB3 MET A 37 17.836 27.756 8.388 1.00 0.00 H new ATOM 0 HG2 MET A 37 19.726 26.360 9.141 1.00 0.00 H new ATOM 0 HG3 MET A 37 20.783 27.756 9.087 1.00 0.00 H new ATOM 0 HE1 MET A 37 20.491 27.479 12.896 1.00 0.00 H new ATOM 0 HE2 MET A 37 20.791 26.245 11.648 1.00 0.00 H new ATOM 0 HE3 MET A 37 21.545 27.852 11.511 1.00 0.00 H new ATOM 520 N ASP A 38 18.667 29.706 5.462 1.00 0.00 N ATOM 521 CA ASP A 38 17.824 30.538 4.615 1.00 0.00 C ATOM 522 C ASP A 38 17.868 30.049 3.175 1.00 0.00 C ATOM 523 O ASP A 38 16.837 29.979 2.502 1.00 0.00 O ATOM 524 CB ASP A 38 18.262 31.998 4.687 1.00 0.00 C ATOM 525 CG ASP A 38 17.200 32.939 4.160 1.00 0.00 C ATOM 526 OD1 ASP A 38 16.185 33.141 4.865 1.00 0.00 O ATOM 527 OD2 ASP A 38 17.376 33.497 3.055 1.00 0.00 O ATOM 0 H ASP A 38 19.550 30.138 5.733 1.00 0.00 H new ATOM 0 HA ASP A 38 16.799 30.465 4.979 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.493 32.256 5.721 1.00 0.00 H new ATOM 0 HB3 ASP A 38 19.179 32.129 4.113 1.00 0.00 H new ATOM 532 N ASP A 39 19.064 29.696 2.710 1.00 0.00 N ATOM 533 CA ASP A 39 19.224 29.109 1.383 1.00 0.00 C ATOM 534 C ASP A 39 18.445 27.803 1.285 1.00 0.00 C ATOM 535 O ASP A 39 17.890 27.479 0.237 1.00 0.00 O ATOM 536 CB ASP A 39 20.699 28.862 1.058 1.00 0.00 C ATOM 537 CG ASP A 39 21.338 30.023 0.321 1.00 0.00 C ATOM 538 OD1 ASP A 39 21.230 30.072 -0.922 1.00 0.00 O ATOM 539 OD2 ASP A 39 21.950 30.893 0.976 1.00 0.00 O ATOM 0 H ASP A 39 19.934 29.806 3.231 1.00 0.00 H new ATOM 0 HA ASP A 39 18.829 29.818 0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 39 21.245 28.680 1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 39 20.787 27.960 0.453 1.00 0.00 H new ATOM 544 N MET A 40 18.390 27.070 2.394 1.00 0.00 N ATOM 545 CA MET A 40 17.608 25.838 2.465 1.00 0.00 C ATOM 546 C MET A 40 16.127 26.128 2.238 1.00 0.00 C ATOM 547 O MET A 40 15.405 25.317 1.657 1.00 0.00 O ATOM 548 CB MET A 40 17.798 25.160 3.825 1.00 0.00 C ATOM 549 CG MET A 40 19.198 24.613 4.050 1.00 0.00 C ATOM 550 SD MET A 40 19.567 23.178 3.025 1.00 0.00 S ATOM 551 CE MET A 40 18.437 21.973 3.721 1.00 0.00 C ATOM 0 H MET A 40 18.878 27.308 3.257 1.00 0.00 H new ATOM 0 HA MET A 40 17.961 25.168 1.681 1.00 0.00 H new ATOM 0 HB2 MET A 40 17.568 25.877 4.613 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.081 24.344 3.917 1.00 0.00 H new ATOM 0 HG2 MET A 40 19.926 25.397 3.843 1.00 0.00 H new ATOM 0 HG3 MET A 40 19.312 24.342 5.100 1.00 0.00 H new ATOM 0 HE1 MET A 40 18.868 20.976 3.632 1.00 0.00 H new ATOM 0 HE2 MET A 40 18.264 22.201 4.773 1.00 0.00 H new ATOM 0 HE3 MET A 40 17.490 22.008 3.182 1.00 0.00 H new ATOM 561 N GLY A 41 15.685 27.297 2.689 1.00 0.00 N ATOM 562 CA GLY A 41 14.296 27.685 2.529 1.00 0.00 C ATOM 563 C GLY A 41 13.930 27.924 1.077 1.00 0.00 C ATOM 564 O GLY A 41 12.881 27.474 0.611 1.00 0.00 O ATOM 0 H GLY A 41 16.268 27.986 3.165 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.654 26.906 2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.106 28.591 3.104 1.00 0.00 H new ATOM 568 N MET A 42 14.796 28.624 0.352 1.00 0.00 N ATOM 569 CA MET A 42 14.554 28.897 -1.059 1.00 0.00 C ATOM 570 C MET A 42 14.882 27.666 -1.900 1.00 0.00 C ATOM 571 O MET A 42 14.397 27.520 -3.021 1.00 0.00 O ATOM 572 CB MET A 42 15.360 30.108 -1.538 1.00 0.00 C ATOM 573 CG MET A 42 16.860 29.886 -1.550 1.00 0.00 C ATOM 574 SD MET A 42 17.776 31.343 -2.095 1.00 0.00 S ATOM 575 CE MET A 42 17.398 32.499 -0.779 1.00 0.00 C ATOM 0 H MET A 42 15.667 29.011 0.716 1.00 0.00 H new ATOM 0 HA MET A 42 13.497 29.134 -1.181 1.00 0.00 H new ATOM 0 HB2 MET A 42 15.034 30.373 -2.544 1.00 0.00 H new ATOM 0 HB3 MET A 42 15.134 30.959 -0.895 1.00 0.00 H new ATOM 0 HG2 MET A 42 17.190 29.608 -0.549 1.00 0.00 H new ATOM 0 HG3 MET A 42 17.094 29.048 -2.207 1.00 0.00 H new ATOM 0 HE1 MET A 42 18.142 33.295 -0.769 1.00 0.00 H new ATOM 0 HE2 MET A 42 16.410 32.928 -0.944 1.00 0.00 H new ATOM 0 HE3 MET A 42 17.412 31.978 0.178 1.00 0.00 H new ATOM 585 N MET A 43 15.699 26.776 -1.343 1.00 0.00 N ATOM 586 CA MET A 43 16.002 25.505 -1.987 1.00 0.00 C ATOM 587 C MET A 43 14.714 24.714 -2.184 1.00 0.00 C ATOM 588 O MET A 43 14.450 24.198 -3.271 1.00 0.00 O ATOM 589 CB MET A 43 17.012 24.721 -1.135 1.00 0.00 C ATOM 590 CG MET A 43 17.358 23.333 -1.661 1.00 0.00 C ATOM 591 SD MET A 43 16.125 22.077 -1.266 1.00 0.00 S ATOM 592 CE MET A 43 16.157 22.112 0.524 1.00 0.00 C ATOM 0 H MET A 43 16.163 26.914 -0.445 1.00 0.00 H new ATOM 0 HA MET A 43 16.448 25.682 -2.966 1.00 0.00 H new ATOM 0 HB2 MET A 43 17.930 25.304 -1.059 1.00 0.00 H new ATOM 0 HB3 MET A 43 16.613 24.622 -0.125 1.00 0.00 H new ATOM 0 HG2 MET A 43 17.477 23.384 -2.743 1.00 0.00 H new ATOM 0 HG3 MET A 43 18.319 23.027 -1.248 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.191 21.092 0.907 1.00 0.00 H new ATOM 0 HE2 MET A 43 17.039 22.656 0.862 1.00 0.00 H new ATOM 0 HE3 MET A 43 15.260 22.609 0.894 1.00 0.00 H new ATOM 602 N ALA A 44 13.900 24.660 -1.134 1.00 0.00 N ATOM 603 CA ALA A 44 12.612 23.986 -1.197 1.00 0.00 C ATOM 604 C ALA A 44 11.724 24.621 -2.262 1.00 0.00 C ATOM 605 O ALA A 44 11.007 23.930 -2.983 1.00 0.00 O ATOM 606 CB ALA A 44 11.928 24.026 0.161 1.00 0.00 C ATOM 0 H ALA A 44 14.113 25.077 -0.228 1.00 0.00 H new ATOM 0 HA ALA A 44 12.781 22.944 -1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.966 23.518 0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.555 23.526 0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 44 11.772 25.063 0.460 1.00 0.00 H new ATOM 612 N ASP A 45 11.794 25.942 -2.368 1.00 0.00 N ATOM 613 CA ASP A 45 11.025 26.681 -3.367 1.00 0.00 C ATOM 614 C ASP A 45 11.436 26.268 -4.779 1.00 0.00 C ATOM 615 O ASP A 45 10.588 26.076 -5.655 1.00 0.00 O ATOM 616 CB ASP A 45 11.218 28.188 -3.176 1.00 0.00 C ATOM 617 CG ASP A 45 10.531 29.007 -4.251 1.00 0.00 C ATOM 618 OD1 ASP A 45 9.289 28.937 -4.358 1.00 0.00 O ATOM 619 OD2 ASP A 45 11.228 29.744 -4.974 1.00 0.00 O ATOM 0 H ASP A 45 12.378 26.528 -1.772 1.00 0.00 H new ATOM 0 HA ASP A 45 9.970 26.443 -3.234 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.830 28.479 -2.200 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.284 28.417 -3.176 1.00 0.00 H new ATOM 624 N SER A 46 12.739 26.112 -4.985 1.00 0.00 N ATOM 625 CA SER A 46 13.267 25.654 -6.258 1.00 0.00 C ATOM 626 C SER A 46 12.708 24.269 -6.589 1.00 0.00 C ATOM 627 O SER A 46 12.170 24.051 -7.676 1.00 0.00 O ATOM 628 CB SER A 46 14.798 25.621 -6.205 1.00 0.00 C ATOM 629 OG SER A 46 15.353 25.199 -7.439 1.00 0.00 O ATOM 0 H SER A 46 13.451 26.298 -4.279 1.00 0.00 H new ATOM 0 HA SER A 46 12.962 26.345 -7.043 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.176 26.613 -5.956 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.121 24.948 -5.411 1.00 0.00 H new ATOM 0 HG SER A 46 16.305 25.000 -7.318 1.00 0.00 H new ATOM 635 N VAL A 47 12.802 23.350 -5.630 1.00 0.00 N ATOM 636 CA VAL A 47 12.302 21.992 -5.816 1.00 0.00 C ATOM 637 C VAL A 47 10.806 22.002 -6.120 1.00 0.00 C ATOM 638 O VAL A 47 10.350 21.297 -7.018 1.00 0.00 O ATOM 639 CB VAL A 47 12.569 21.110 -4.578 1.00 0.00 C ATOM 640 CG1 VAL A 47 12.104 19.679 -4.814 1.00 0.00 C ATOM 641 CG2 VAL A 47 14.043 21.135 -4.212 1.00 0.00 C ATOM 0 H VAL A 47 13.220 23.523 -4.716 1.00 0.00 H new ATOM 0 HA VAL A 47 12.841 21.568 -6.663 1.00 0.00 H new ATOM 0 HB VAL A 47 11.997 21.519 -3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.304 19.080 -3.926 1.00 0.00 H new ATOM 0 HG12 VAL A 47 11.034 19.674 -5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.640 19.258 -5.664 1.00 0.00 H new ATOM 0 HG21 VAL A 47 14.211 20.507 -3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.632 20.758 -5.048 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.345 22.158 -3.988 1.00 0.00 H new ATOM 651 N ASN A 48 10.053 22.815 -5.374 1.00 0.00 N ATOM 652 CA ASN A 48 8.620 22.996 -5.623 1.00 0.00 C ATOM 653 C ASN A 48 8.348 23.275 -7.098 1.00 0.00 C ATOM 654 O ASN A 48 7.551 22.587 -7.733 1.00 0.00 O ATOM 655 CB ASN A 48 8.054 24.159 -4.794 1.00 0.00 C ATOM 656 CG ASN A 48 7.534 23.739 -3.435 1.00 0.00 C ATOM 657 OD1 ASN A 48 6.391 23.303 -3.301 1.00 0.00 O ATOM 658 ND2 ASN A 48 8.355 23.890 -2.413 1.00 0.00 N ATOM 0 H ASN A 48 10.413 23.360 -4.590 1.00 0.00 H new ATOM 0 HA ASN A 48 8.130 22.067 -5.330 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.832 24.911 -4.660 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.246 24.633 -5.352 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.049 23.642 -1.472 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.296 24.255 -2.564 1.00 0.00 H new ATOM 665 N SER A 49 9.040 24.274 -7.634 1.00 0.00 N ATOM 666 CA SER A 49 8.822 24.723 -9.001 1.00 0.00 C ATOM 667 C SER A 49 9.131 23.611 -10.007 1.00 0.00 C ATOM 668 O SER A 49 8.391 23.414 -10.970 1.00 0.00 O ATOM 669 CB SER A 49 9.686 25.957 -9.282 1.00 0.00 C ATOM 670 OG SER A 49 9.346 26.564 -10.517 1.00 0.00 O ATOM 0 H SER A 49 9.764 24.792 -7.135 1.00 0.00 H new ATOM 0 HA SER A 49 7.770 24.987 -9.115 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.562 26.679 -8.475 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.737 25.670 -9.295 1.00 0.00 H new ATOM 0 HG SER A 49 9.915 27.348 -10.664 1.00 0.00 H new ATOM 676 N GLN A 50 10.209 22.874 -9.765 1.00 0.00 N ATOM 677 CA GLN A 50 10.636 21.825 -10.686 1.00 0.00 C ATOM 678 C GLN A 50 9.732 20.597 -10.573 1.00 0.00 C ATOM 679 O GLN A 50 9.472 19.909 -11.558 1.00 0.00 O ATOM 680 CB GLN A 50 12.088 21.435 -10.404 1.00 0.00 C ATOM 681 CG GLN A 50 13.022 22.626 -10.251 1.00 0.00 C ATOM 682 CD GLN A 50 14.468 22.217 -10.058 1.00 0.00 C ATOM 683 OE1 GLN A 50 14.925 21.221 -10.617 1.00 0.00 O ATOM 684 NE2 GLN A 50 15.191 22.966 -9.240 1.00 0.00 N ATOM 0 H GLN A 50 10.802 22.982 -8.942 1.00 0.00 H new ATOM 0 HA GLN A 50 10.561 22.213 -11.702 1.00 0.00 H new ATOM 0 HB2 GLN A 50 12.124 20.837 -9.493 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.449 20.803 -11.215 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.943 23.260 -11.134 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.702 23.226 -9.399 1.00 0.00 H new ATOM 0 HE21 GLN A 50 14.775 23.784 -8.796 1.00 0.00 H new ATOM 0 HE22 GLN A 50 16.164 22.725 -9.054 1.00 0.00 H new ATOM 693 N MET A 51 9.241 20.342 -9.366 1.00 0.00 N ATOM 694 CA MET A 51 8.355 19.212 -9.107 1.00 0.00 C ATOM 695 C MET A 51 7.012 19.406 -9.811 1.00 0.00 C ATOM 696 O MET A 51 6.333 18.440 -10.154 1.00 0.00 O ATOM 697 CB MET A 51 8.151 19.052 -7.598 1.00 0.00 C ATOM 698 CG MET A 51 7.240 17.901 -7.207 1.00 0.00 C ATOM 699 SD MET A 51 7.066 17.728 -5.417 1.00 0.00 S ATOM 700 CE MET A 51 6.450 19.348 -4.959 1.00 0.00 C ATOM 0 H MET A 51 9.444 20.909 -8.543 1.00 0.00 H new ATOM 0 HA MET A 51 8.815 18.306 -9.502 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.123 18.907 -7.126 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.738 19.978 -7.199 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.256 18.055 -7.651 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.635 16.973 -7.621 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.876 19.271 -4.036 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.289 20.027 -4.809 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.810 19.732 -5.753 1.00 0.00 H new ATOM 710 N GLN A 52 6.644 20.659 -10.039 1.00 0.00 N ATOM 711 CA GLN A 52 5.415 20.975 -10.761 1.00 0.00 C ATOM 712 C GLN A 52 5.554 20.619 -12.242 1.00 0.00 C ATOM 713 O GLN A 52 4.561 20.443 -12.950 1.00 0.00 O ATOM 714 CB GLN A 52 5.074 22.458 -10.596 1.00 0.00 C ATOM 715 CG GLN A 52 4.751 22.849 -9.161 1.00 0.00 C ATOM 716 CD GLN A 52 4.622 24.349 -8.971 1.00 0.00 C ATOM 717 OE1 GLN A 52 4.231 25.079 -9.883 1.00 0.00 O ATOM 718 NE2 GLN A 52 4.952 24.816 -7.777 1.00 0.00 N ATOM 0 H GLN A 52 7.177 21.474 -9.736 1.00 0.00 H new ATOM 0 HA GLN A 52 4.603 20.381 -10.342 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.914 23.057 -10.948 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.222 22.700 -11.231 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.820 22.369 -8.860 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.533 22.471 -8.502 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.271 24.176 -7.050 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.887 25.816 -7.585 1.00 0.00 H new ATOM 727 N LYS A 53 6.796 20.493 -12.695 1.00 0.00 N ATOM 728 CA LYS A 53 7.086 20.149 -14.083 1.00 0.00 C ATOM 729 C LYS A 53 7.185 18.635 -14.241 1.00 0.00 C ATOM 730 O LYS A 53 7.310 18.119 -15.352 1.00 0.00 O ATOM 731 CB LYS A 53 8.402 20.803 -14.520 1.00 0.00 C ATOM 732 CG LYS A 53 8.501 22.298 -14.219 1.00 0.00 C ATOM 733 CD LYS A 53 7.817 23.165 -15.273 1.00 0.00 C ATOM 734 CE LYS A 53 6.302 23.180 -15.135 1.00 0.00 C ATOM 735 NZ LYS A 53 5.673 24.129 -16.089 1.00 0.00 N ATOM 0 H LYS A 53 7.625 20.625 -12.116 1.00 0.00 H new ATOM 0 HA LYS A 53 6.276 20.518 -14.712 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.228 20.291 -14.027 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.529 20.653 -15.592 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.053 22.498 -13.246 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.552 22.580 -14.150 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.194 24.185 -15.197 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.083 22.800 -16.265 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.911 22.177 -15.308 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.032 23.456 -14.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.640 24.112 -15.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.028 25.090 -15.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.910 23.851 -17.063 1.00 0.00 H new ATOM 749 N MET A 54 7.126 17.934 -13.116 1.00 0.00 N ATOM 750 CA MET A 54 7.240 16.480 -13.099 1.00 0.00 C ATOM 751 C MET A 54 6.054 15.813 -13.796 1.00 0.00 C ATOM 752 O MET A 54 6.211 15.201 -14.857 1.00 0.00 O ATOM 753 CB MET A 54 7.335 16.000 -11.655 1.00 0.00 C ATOM 754 CG MET A 54 7.386 14.490 -11.489 1.00 0.00 C ATOM 755 SD MET A 54 7.292 13.999 -9.757 1.00 0.00 S ATOM 756 CE MET A 54 8.708 14.864 -9.087 1.00 0.00 C ATOM 0 H MET A 54 6.999 18.353 -12.195 1.00 0.00 H new ATOM 0 HA MET A 54 8.141 16.200 -13.645 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.227 16.432 -11.201 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.478 16.384 -11.102 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.562 14.036 -12.040 1.00 0.00 H new ATOM 0 HG3 MET A 54 8.309 14.108 -11.925 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.444 15.304 -8.125 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.532 14.163 -8.952 1.00 0.00 H new ATOM 0 HE3 MET A 54 9.012 15.653 -9.775 1.00 0.00 H new ATOM 766 N GLY A 55 4.877 15.931 -13.194 1.00 0.00 N ATOM 767 CA GLY A 55 3.687 15.307 -13.747 1.00 0.00 C ATOM 768 C GLY A 55 3.208 14.138 -12.904 1.00 0.00 C ATOM 769 O GLY A 55 4.011 13.494 -12.230 1.00 0.00 O ATOM 0 H GLY A 55 4.724 16.450 -12.329 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.892 16.048 -13.822 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.897 14.961 -14.759 1.00 0.00 H new ATOM 773 N PRO A 56 1.896 13.852 -12.912 1.00 0.00 N ATOM 774 CA PRO A 56 1.315 12.744 -12.141 1.00 0.00 C ATOM 775 C PRO A 56 1.733 11.374 -12.667 1.00 0.00 C ATOM 776 O PRO A 56 1.900 11.191 -13.878 1.00 0.00 O ATOM 777 CB PRO A 56 -0.194 12.943 -12.315 1.00 0.00 C ATOM 778 CG PRO A 56 -0.333 13.699 -13.590 1.00 0.00 C ATOM 779 CD PRO A 56 0.872 14.593 -13.670 1.00 0.00 C ATOM 0 HA PRO A 56 1.648 12.759 -11.103 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.716 11.987 -12.363 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.619 13.497 -11.478 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.375 13.022 -14.443 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.254 14.282 -13.600 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.179 14.762 -14.702 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.677 15.571 -13.231 1.00 0.00 H new ATOM 787 N ASN A 57 1.881 10.429 -11.733 1.00 0.00 N ATOM 788 CA ASN A 57 2.257 9.037 -12.020 1.00 0.00 C ATOM 789 C ASN A 57 3.293 8.916 -13.143 1.00 0.00 C ATOM 790 O ASN A 57 2.997 8.451 -14.249 1.00 0.00 O ATOM 791 CB ASN A 57 1.015 8.163 -12.283 1.00 0.00 C ATOM 792 CG ASN A 57 0.113 8.662 -13.401 1.00 0.00 C ATOM 793 OD1 ASN A 57 0.282 8.309 -14.569 1.00 0.00 O ATOM 794 ND2 ASN A 57 -0.866 9.478 -13.047 1.00 0.00 N ATOM 0 H ASN A 57 1.741 10.611 -10.739 1.00 0.00 H new ATOM 0 HA ASN A 57 2.745 8.656 -11.123 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.343 7.152 -12.523 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.431 8.099 -11.365 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.511 9.836 -13.751 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.976 9.749 -12.070 1.00 0.00 H new ATOM 801 N PRO A 58 4.532 9.348 -12.869 1.00 0.00 N ATOM 802 CA PRO A 58 5.611 9.334 -13.837 1.00 0.00 C ATOM 803 C PRO A 58 6.494 8.084 -13.733 1.00 0.00 C ATOM 804 O PRO A 58 6.654 7.512 -12.653 1.00 0.00 O ATOM 805 CB PRO A 58 6.400 10.590 -13.456 1.00 0.00 C ATOM 806 CG PRO A 58 6.098 10.847 -12.006 1.00 0.00 C ATOM 807 CD PRO A 58 4.989 9.906 -11.592 1.00 0.00 C ATOM 0 HA PRO A 58 5.249 9.318 -14.865 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.469 10.441 -13.611 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.103 11.439 -14.072 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.986 10.683 -11.396 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.796 11.883 -11.856 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.350 9.129 -10.919 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.188 10.431 -11.072 1.00 0.00 H new ATOM 815 N PRO A 59 7.063 7.632 -14.866 1.00 0.00 N ATOM 816 CA PRO A 59 7.987 6.494 -14.892 1.00 0.00 C ATOM 817 C PRO A 59 9.262 6.766 -14.098 1.00 0.00 C ATOM 818 O PRO A 59 9.623 7.921 -13.871 1.00 0.00 O ATOM 819 CB PRO A 59 8.332 6.315 -16.372 1.00 0.00 C ATOM 820 CG PRO A 59 7.332 7.118 -17.132 1.00 0.00 C ATOM 821 CD PRO A 59 6.832 8.187 -16.206 1.00 0.00 C ATOM 0 HA PRO A 59 7.534 5.612 -14.440 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.346 6.658 -16.580 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.286 5.264 -16.658 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.786 7.558 -18.020 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.510 6.488 -17.473 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.372 9.123 -16.349 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.776 8.399 -16.374 1.00 0.00 H new ATOM 829 N GLN A 60 9.957 5.693 -13.734 1.00 0.00 N ATOM 830 CA GLN A 60 11.147 5.762 -12.879 1.00 0.00 C ATOM 831 C GLN A 60 12.169 6.799 -13.364 1.00 0.00 C ATOM 832 O GLN A 60 12.759 7.519 -12.556 1.00 0.00 O ATOM 833 CB GLN A 60 11.810 4.375 -12.776 1.00 0.00 C ATOM 834 CG GLN A 60 12.485 3.880 -14.056 1.00 0.00 C ATOM 835 CD GLN A 60 11.517 3.658 -15.207 1.00 0.00 C ATOM 836 OE1 GLN A 60 11.257 4.565 -16.002 1.00 0.00 O ATOM 837 NE2 GLN A 60 10.973 2.457 -15.300 1.00 0.00 N ATOM 0 H GLN A 60 9.713 4.745 -14.022 1.00 0.00 H new ATOM 0 HA GLN A 60 10.809 6.084 -11.894 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.554 4.404 -11.980 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.053 3.649 -12.479 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.240 4.604 -14.362 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.006 2.946 -13.845 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.214 1.734 -14.622 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.312 2.253 -16.050 1.00 0.00 H new ATOM 846 N HIS A 61 12.361 6.896 -14.678 1.00 0.00 N ATOM 847 CA HIS A 61 13.374 7.791 -15.232 1.00 0.00 C ATOM 848 C HIS A 61 12.985 9.261 -15.078 1.00 0.00 C ATOM 849 O HIS A 61 13.839 10.138 -15.146 1.00 0.00 O ATOM 850 CB HIS A 61 13.678 7.460 -16.705 1.00 0.00 C ATOM 851 CG HIS A 61 12.501 7.546 -17.631 1.00 0.00 C ATOM 852 ND1 HIS A 61 11.834 6.435 -18.099 1.00 0.00 N ATOM 853 CD2 HIS A 61 11.895 8.612 -18.203 1.00 0.00 C ATOM 854 CE1 HIS A 61 10.870 6.814 -18.914 1.00 0.00 C ATOM 855 NE2 HIS A 61 10.883 8.132 -18.998 1.00 0.00 N ATOM 0 H HIS A 61 11.833 6.370 -15.374 1.00 0.00 H new ATOM 0 HA HIS A 61 14.284 7.628 -14.654 1.00 0.00 H new ATOM 0 HB2 HIS A 61 14.452 8.139 -17.062 1.00 0.00 H new ATOM 0 HB3 HIS A 61 14.089 6.452 -16.758 1.00 0.00 H new ATOM 0 HD1 HIS A 61 12.052 5.469 -17.853 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.159 9.650 -18.061 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.184 6.157 -19.427 1.00 0.00 H new ATOM 863 N ARG A 62 11.702 9.532 -14.864 1.00 0.00 N ATOM 864 CA ARG A 62 11.250 10.901 -14.634 1.00 0.00 C ATOM 865 C ARG A 62 11.662 11.365 -13.242 1.00 0.00 C ATOM 866 O ARG A 62 12.036 12.519 -13.046 1.00 0.00 O ATOM 867 CB ARG A 62 9.732 11.007 -14.792 1.00 0.00 C ATOM 868 CG ARG A 62 9.253 10.918 -16.233 1.00 0.00 C ATOM 869 CD ARG A 62 9.615 12.162 -17.029 1.00 0.00 C ATOM 870 NE ARG A 62 8.890 13.346 -16.567 1.00 0.00 N ATOM 871 CZ ARG A 62 9.312 14.594 -16.758 1.00 0.00 C ATOM 872 NH1 ARG A 62 10.453 14.821 -17.398 1.00 0.00 N ATOM 873 NH2 ARG A 62 8.588 15.615 -16.325 1.00 0.00 N ATOM 0 H ARG A 62 10.962 8.830 -14.845 1.00 0.00 H new ATOM 0 HA ARG A 62 11.720 11.544 -15.378 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.260 10.213 -14.213 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.398 11.953 -14.366 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.694 10.042 -16.709 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.172 10.779 -16.248 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.687 12.342 -16.951 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.396 11.993 -18.083 1.00 0.00 H new ATOM 0 HE ARG A 62 8.010 13.207 -16.070 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.008 14.038 -17.744 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.775 15.778 -17.543 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.705 15.446 -15.844 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.914 16.570 -16.473 1.00 0.00 H new ATOM 887 N LEU A 63 11.610 10.450 -12.282 1.00 0.00 N ATOM 888 CA LEU A 63 11.974 10.769 -10.907 1.00 0.00 C ATOM 889 C LEU A 63 13.486 10.788 -10.748 1.00 0.00 C ATOM 890 O LEU A 63 14.027 11.484 -9.886 1.00 0.00 O ATOM 891 CB LEU A 63 11.355 9.772 -9.920 1.00 0.00 C ATOM 892 CG LEU A 63 9.822 9.750 -9.871 1.00 0.00 C ATOM 893 CD1 LEU A 63 9.260 11.157 -9.963 1.00 0.00 C ATOM 894 CD2 LEU A 63 9.249 8.877 -10.973 1.00 0.00 C ATOM 0 H LEU A 63 11.320 9.483 -12.429 1.00 0.00 H new ATOM 0 HA LEU A 63 11.580 11.760 -10.681 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.707 8.772 -10.174 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.729 9.998 -8.921 1.00 0.00 H new ATOM 0 HG LEU A 63 9.527 9.321 -8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.171 11.117 -9.926 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.630 11.752 -9.128 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.575 11.614 -10.901 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.161 8.882 -10.912 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.560 9.265 -11.943 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.615 7.857 -10.856 1.00 0.00 H new ATOM 906 N ARG A 64 14.170 10.042 -11.607 1.00 0.00 N ATOM 907 CA ARG A 64 15.627 9.988 -11.584 1.00 0.00 C ATOM 908 C ARG A 64 16.237 11.231 -12.223 1.00 0.00 C ATOM 909 O ARG A 64 17.440 11.285 -12.471 1.00 0.00 O ATOM 910 CB ARG A 64 16.138 8.725 -12.281 1.00 0.00 C ATOM 911 CG ARG A 64 16.778 7.733 -11.323 1.00 0.00 C ATOM 912 CD ARG A 64 15.783 7.237 -10.285 1.00 0.00 C ATOM 913 NE ARG A 64 16.444 6.544 -9.179 1.00 0.00 N ATOM 914 CZ ARG A 64 16.063 5.364 -8.695 1.00 0.00 C ATOM 915 NH1 ARG A 64 15.059 4.695 -9.258 1.00 0.00 N ATOM 916 NH2 ARG A 64 16.707 4.846 -7.658 1.00 0.00 N ATOM 0 H ARG A 64 13.739 9.465 -12.329 1.00 0.00 H new ATOM 0 HA ARG A 64 15.938 9.956 -10.540 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.308 8.240 -12.796 1.00 0.00 H new ATOM 0 HB3 ARG A 64 16.865 9.006 -13.043 1.00 0.00 H new ATOM 0 HG2 ARG A 64 17.172 6.886 -11.885 1.00 0.00 H new ATOM 0 HG3 ARG A 64 17.624 8.204 -10.822 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.214 8.081 -9.896 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.069 6.564 -10.760 1.00 0.00 H new ATOM 0 HE ARG A 64 17.252 6.996 -8.750 1.00 0.00 H new ATOM 0 HH11 ARG A 64 14.575 5.086 -10.066 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.773 3.791 -8.881 1.00 0.00 H new ATOM 0 HH21 ARG A 64 17.487 5.351 -7.238 1.00 0.00 H new ATOM 0 HH22 ARG A 64 16.422 3.942 -7.280 1.00 0.00 H new ATOM 930 N ALA A 65 15.403 12.224 -12.489 1.00 0.00 N ATOM 931 CA ALA A 65 15.880 13.512 -12.962 1.00 0.00 C ATOM 932 C ALA A 65 15.640 14.584 -11.903 1.00 0.00 C ATOM 933 O ALA A 65 16.012 15.743 -12.075 1.00 0.00 O ATOM 934 CB ALA A 65 15.192 13.881 -14.266 1.00 0.00 C ATOM 0 H ALA A 65 14.390 12.161 -12.385 1.00 0.00 H new ATOM 0 HA ALA A 65 16.952 13.445 -13.147 1.00 0.00 H new ATOM 0 HB1 ALA A 65 15.558 14.848 -14.610 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.408 13.123 -15.019 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.115 13.937 -14.106 1.00 0.00 H new ATOM 940 N MET A 66 15.031 14.177 -10.792 1.00 0.00 N ATOM 941 CA MET A 66 14.693 15.110 -9.719 1.00 0.00 C ATOM 942 C MET A 66 15.619 14.920 -8.525 1.00 0.00 C ATOM 943 O MET A 66 15.791 15.826 -7.708 1.00 0.00 O ATOM 944 CB MET A 66 13.238 14.939 -9.285 1.00 0.00 C ATOM 945 CG MET A 66 12.238 15.513 -10.276 1.00 0.00 C ATOM 946 SD MET A 66 12.415 17.297 -10.497 1.00 0.00 S ATOM 947 CE MET A 66 12.101 17.896 -8.833 1.00 0.00 C ATOM 0 H MET A 66 14.762 13.210 -10.611 1.00 0.00 H new ATOM 0 HA MET A 66 14.823 16.121 -10.105 1.00 0.00 H new ATOM 0 HB2 MET A 66 13.031 13.878 -9.146 1.00 0.00 H new ATOM 0 HB3 MET A 66 13.097 15.421 -8.318 1.00 0.00 H new ATOM 0 HG2 MET A 66 12.363 15.018 -11.239 1.00 0.00 H new ATOM 0 HG3 MET A 66 11.227 15.293 -9.934 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.413 18.741 -8.874 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.660 17.098 -8.236 1.00 0.00 H new ATOM 0 HE3 MET A 66 13.039 18.214 -8.378 1.00 0.00 H new ATOM 957 N ASN A 67 16.198 13.732 -8.431 1.00 0.00 N ATOM 958 CA ASN A 67 17.222 13.439 -7.430 1.00 0.00 C ATOM 959 C ASN A 67 18.340 14.483 -7.471 1.00 0.00 C ATOM 960 O ASN A 67 18.620 15.146 -6.472 1.00 0.00 O ATOM 961 CB ASN A 67 17.800 12.028 -7.648 1.00 0.00 C ATOM 962 CG ASN A 67 18.014 11.684 -9.117 1.00 0.00 C ATOM 963 OD1 ASN A 67 18.167 12.558 -9.967 1.00 0.00 O ATOM 964 ND2 ASN A 67 18.034 10.407 -9.432 1.00 0.00 N ATOM 0 H ASN A 67 15.975 12.946 -9.041 1.00 0.00 H new ATOM 0 HA ASN A 67 16.755 13.477 -6.446 1.00 0.00 H new ATOM 0 HB2 ASN A 67 18.751 11.947 -7.121 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.126 11.295 -7.205 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.179 10.123 -10.401 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.904 9.701 -8.707 1.00 0.00 H new ATOM 971 N THR A 68 18.955 14.635 -8.635 1.00 0.00 N ATOM 972 CA THR A 68 20.022 15.597 -8.832 1.00 0.00 C ATOM 973 C THR A 68 19.510 17.023 -8.663 1.00 0.00 C ATOM 974 O THR A 68 20.221 17.891 -8.160 1.00 0.00 O ATOM 975 CB THR A 68 20.638 15.442 -10.233 1.00 0.00 C ATOM 976 OG1 THR A 68 20.942 14.063 -10.479 1.00 0.00 O ATOM 977 CG2 THR A 68 21.904 16.274 -10.365 1.00 0.00 C ATOM 0 H THR A 68 18.726 14.093 -9.468 1.00 0.00 H new ATOM 0 HA THR A 68 20.784 15.403 -8.078 1.00 0.00 H new ATOM 0 HB THR A 68 19.913 15.795 -10.967 1.00 0.00 H new ATOM 0 HG1 THR A 68 21.332 13.969 -11.373 1.00 0.00 H new ATOM 0 HG21 THR A 68 22.320 16.147 -11.364 1.00 0.00 H new ATOM 0 HG22 THR A 68 21.667 17.325 -10.201 1.00 0.00 H new ATOM 0 HG23 THR A 68 22.633 15.947 -9.624 1.00 0.00 H new ATOM 985 N ALA A 69 18.264 17.248 -9.061 1.00 0.00 N ATOM 986 CA ALA A 69 17.658 18.569 -8.983 1.00 0.00 C ATOM 987 C ALA A 69 17.701 19.117 -7.562 1.00 0.00 C ATOM 988 O ALA A 69 18.146 20.243 -7.336 1.00 0.00 O ATOM 989 CB ALA A 69 16.226 18.521 -9.486 1.00 0.00 C ATOM 0 H ALA A 69 17.651 16.527 -9.443 1.00 0.00 H new ATOM 0 HA ALA A 69 18.236 19.241 -9.618 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.784 19.516 -9.422 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.216 18.185 -10.523 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.649 17.828 -8.874 1.00 0.00 H new ATOM 995 N MET A 70 17.244 18.314 -6.608 1.00 0.00 N ATOM 996 CA MET A 70 17.271 18.713 -5.206 1.00 0.00 C ATOM 997 C MET A 70 18.697 18.664 -4.674 1.00 0.00 C ATOM 998 O MET A 70 19.144 19.578 -3.977 1.00 0.00 O ATOM 999 CB MET A 70 16.367 17.804 -4.370 1.00 0.00 C ATOM 1000 CG MET A 70 16.218 18.264 -2.926 1.00 0.00 C ATOM 1001 SD MET A 70 15.005 17.302 -1.999 1.00 0.00 S ATOM 1002 CE MET A 70 15.775 15.686 -1.971 1.00 0.00 C ATOM 0 H MET A 70 16.852 17.388 -6.778 1.00 0.00 H new ATOM 0 HA MET A 70 16.899 19.735 -5.131 1.00 0.00 H new ATOM 0 HB2 MET A 70 15.381 17.759 -4.833 1.00 0.00 H new ATOM 0 HB3 MET A 70 16.771 16.792 -4.381 1.00 0.00 H new ATOM 0 HG2 MET A 70 17.185 18.196 -2.427 1.00 0.00 H new ATOM 0 HG3 MET A 70 15.926 19.314 -2.914 1.00 0.00 H new ATOM 0 HE1 MET A 70 15.172 15.006 -1.370 1.00 0.00 H new ATOM 0 HE2 MET A 70 15.851 15.301 -2.988 1.00 0.00 H new ATOM 0 HE3 MET A 70 16.772 15.766 -1.538 1.00 0.00 H new ATOM 1012 N ALA A 71 19.405 17.594 -5.027 1.00 0.00 N ATOM 1013 CA ALA A 71 20.790 17.391 -4.601 1.00 0.00 C ATOM 1014 C ALA A 71 21.662 18.611 -4.888 1.00 0.00 C ATOM 1015 O ALA A 71 22.394 19.084 -4.018 1.00 0.00 O ATOM 1016 CB ALA A 71 21.382 16.172 -5.290 1.00 0.00 C ATOM 0 H ALA A 71 19.038 16.845 -5.614 1.00 0.00 H new ATOM 0 HA ALA A 71 20.774 17.234 -3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 71 22.413 16.034 -4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 71 20.798 15.289 -5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 71 21.360 16.318 -6.370 1.00 0.00 H new ATOM 1022 N ALA A 72 21.568 19.121 -6.109 1.00 0.00 N ATOM 1023 CA ALA A 72 22.401 20.232 -6.552 1.00 0.00 C ATOM 1024 C ALA A 72 22.117 21.510 -5.770 1.00 0.00 C ATOM 1025 O ALA A 72 23.016 22.321 -5.545 1.00 0.00 O ATOM 1026 CB ALA A 72 22.194 20.476 -8.035 1.00 0.00 C ATOM 0 H ALA A 72 20.917 18.779 -6.816 1.00 0.00 H new ATOM 0 HA ALA A 72 23.439 19.957 -6.365 1.00 0.00 H new ATOM 0 HB1 ALA A 72 22.820 21.308 -8.358 1.00 0.00 H new ATOM 0 HB2 ALA A 72 22.466 19.580 -8.593 1.00 0.00 H new ATOM 0 HB3 ALA A 72 21.147 20.716 -8.222 1.00 0.00 H new ATOM 1032 N GLU A 73 20.872 21.686 -5.350 1.00 0.00 N ATOM 1033 CA GLU A 73 20.479 22.893 -4.635 1.00 0.00 C ATOM 1034 C GLU A 73 20.956 22.838 -3.189 1.00 0.00 C ATOM 1035 O GLU A 73 21.401 23.841 -2.632 1.00 0.00 O ATOM 1036 CB GLU A 73 18.964 23.078 -4.695 1.00 0.00 C ATOM 1037 CG GLU A 73 18.428 23.228 -6.109 1.00 0.00 C ATOM 1038 CD GLU A 73 18.876 24.513 -6.778 1.00 0.00 C ATOM 1039 OE1 GLU A 73 20.094 24.694 -6.992 1.00 0.00 O ATOM 1040 OE2 GLU A 73 18.004 25.341 -7.117 1.00 0.00 O ATOM 0 H GLU A 73 20.119 21.012 -5.491 1.00 0.00 H new ATOM 0 HA GLU A 73 20.950 23.749 -5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.482 22.223 -4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 73 18.690 23.960 -4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 73 18.756 22.379 -6.708 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.339 23.198 -6.084 1.00 0.00 H new ATOM 1047 N VAL A 74 20.883 21.655 -2.593 1.00 0.00 N ATOM 1048 CA VAL A 74 21.367 21.453 -1.231 1.00 0.00 C ATOM 1049 C VAL A 74 22.896 21.486 -1.212 1.00 0.00 C ATOM 1050 O VAL A 74 23.520 21.769 -0.192 1.00 0.00 O ATOM 1051 CB VAL A 74 20.864 20.110 -0.647 1.00 0.00 C ATOM 1052 CG1 VAL A 74 21.286 19.946 0.808 1.00 0.00 C ATOM 1053 CG2 VAL A 74 19.350 20.002 -0.776 1.00 0.00 C ATOM 0 H VAL A 74 20.493 20.820 -3.030 1.00 0.00 H new ATOM 0 HA VAL A 74 20.976 22.260 -0.611 1.00 0.00 H new ATOM 0 HB VAL A 74 21.322 19.306 -1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 74 20.917 18.993 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 74 22.374 19.968 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 74 20.869 20.760 1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 74 19.016 19.051 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.879 20.821 -0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.070 20.056 -1.828 1.00 0.00 H new ATOM 1063 N ALA A 75 23.490 21.210 -2.365 1.00 0.00 N ATOM 1064 CA ALA A 75 24.938 21.208 -2.510 1.00 0.00 C ATOM 1065 C ALA A 75 25.521 22.605 -2.313 1.00 0.00 C ATOM 1066 O ALA A 75 26.643 22.757 -1.834 1.00 0.00 O ATOM 1067 CB ALA A 75 25.322 20.668 -3.878 1.00 0.00 C ATOM 0 H ALA A 75 22.985 20.982 -3.221 1.00 0.00 H new ATOM 0 HA ALA A 75 25.353 20.562 -1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 75 26.407 20.670 -3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 75 24.949 19.649 -3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 75 24.885 21.297 -4.653 1.00 0.00 H new ATOM 1073 N GLU A 76 24.740 23.620 -2.657 1.00 0.00 N ATOM 1074 CA GLU A 76 25.214 24.998 -2.617 1.00 0.00 C ATOM 1075 C GLU A 76 25.645 25.413 -1.212 1.00 0.00 C ATOM 1076 O GLU A 76 26.696 26.026 -1.038 1.00 0.00 O ATOM 1077 CB GLU A 76 24.135 25.945 -3.136 1.00 0.00 C ATOM 1078 CG GLU A 76 23.813 25.740 -4.606 1.00 0.00 C ATOM 1079 CD GLU A 76 25.032 25.897 -5.493 1.00 0.00 C ATOM 1080 OE1 GLU A 76 25.585 27.012 -5.555 1.00 0.00 O ATOM 1081 OE2 GLU A 76 25.436 24.910 -6.141 1.00 0.00 O ATOM 0 H GLU A 76 23.774 23.516 -2.967 1.00 0.00 H new ATOM 0 HA GLU A 76 26.090 25.060 -3.263 1.00 0.00 H new ATOM 0 HB2 GLU A 76 23.227 25.806 -2.549 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.460 26.974 -2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 76 23.390 24.745 -4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.050 26.457 -4.911 1.00 0.00 H new ATOM 1088 N VAL A 77 24.849 25.060 -0.210 1.00 0.00 N ATOM 1089 CA VAL A 77 25.157 25.435 1.167 1.00 0.00 C ATOM 1090 C VAL A 77 26.348 24.639 1.700 1.00 0.00 C ATOM 1091 O VAL A 77 27.068 25.096 2.590 1.00 0.00 O ATOM 1092 CB VAL A 77 23.942 25.245 2.107 1.00 0.00 C ATOM 1093 CG1 VAL A 77 22.772 26.100 1.646 1.00 0.00 C ATOM 1094 CG2 VAL A 77 23.532 23.782 2.194 1.00 0.00 C ATOM 0 H VAL A 77 23.992 24.519 -0.322 1.00 0.00 H new ATOM 0 HA VAL A 77 25.412 26.495 1.152 1.00 0.00 H new ATOM 0 HB VAL A 77 24.239 25.568 3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 77 21.927 25.953 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 77 23.064 27.150 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 77 22.486 25.810 0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 77 22.676 23.683 2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 77 23.262 23.420 1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 77 24.364 23.193 2.581 1.00 0.00 H new ATOM 1104 N VAL A 78 26.567 23.461 1.129 1.00 0.00 N ATOM 1105 CA VAL A 78 27.653 22.593 1.561 1.00 0.00 C ATOM 1106 C VAL A 78 28.983 23.064 0.975 1.00 0.00 C ATOM 1107 O VAL A 78 30.039 22.879 1.576 1.00 0.00 O ATOM 1108 CB VAL A 78 27.399 21.123 1.155 1.00 0.00 C ATOM 1109 CG1 VAL A 78 28.490 20.215 1.699 1.00 0.00 C ATOM 1110 CG2 VAL A 78 26.030 20.662 1.633 1.00 0.00 C ATOM 0 H VAL A 78 26.006 23.085 0.365 1.00 0.00 H new ATOM 0 HA VAL A 78 27.699 22.646 2.649 1.00 0.00 H new ATOM 0 HB VAL A 78 27.420 21.064 0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 78 28.289 19.186 1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 78 29.455 20.527 1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.509 20.280 2.787 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.871 19.625 1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 78 25.978 20.741 2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 78 25.258 21.289 1.186 1.00 0.00 H new ATOM 1120 N ALA A 79 28.920 23.701 -0.188 1.00 0.00 N ATOM 1121 CA ALA A 79 30.115 24.217 -0.848 1.00 0.00 C ATOM 1122 C ALA A 79 30.750 25.341 -0.033 1.00 0.00 C ATOM 1123 O ALA A 79 31.942 25.617 -0.154 1.00 0.00 O ATOM 1124 CB ALA A 79 29.772 24.702 -2.249 1.00 0.00 C ATOM 0 H ALA A 79 28.052 23.873 -0.695 1.00 0.00 H new ATOM 0 HA ALA A 79 30.841 23.407 -0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 79 30.671 25.085 -2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.371 23.873 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 79 29.027 25.496 -2.187 1.00 0.00 H new ATOM 1130 N THR A 80 29.945 25.980 0.803 1.00 0.00 N ATOM 1131 CA THR A 80 30.419 27.066 1.646 1.00 0.00 C ATOM 1132 C THR A 80 30.849 26.542 3.024 1.00 0.00 C ATOM 1133 O THR A 80 31.120 27.314 3.945 1.00 0.00 O ATOM 1134 CB THR A 80 29.315 28.131 1.809 1.00 0.00 C ATOM 1135 OG1 THR A 80 28.610 28.278 0.570 1.00 0.00 O ATOM 1136 CG2 THR A 80 29.902 29.476 2.214 1.00 0.00 C ATOM 0 H THR A 80 28.955 25.763 0.915 1.00 0.00 H new ATOM 0 HA THR A 80 31.286 27.519 1.164 1.00 0.00 H new ATOM 0 HB THR A 80 28.635 27.801 2.595 1.00 0.00 H new ATOM 0 HG1 THR A 80 27.907 28.953 0.672 1.00 0.00 H new ATOM 0 HG21 THR A 80 29.100 30.206 2.321 1.00 0.00 H new ATOM 0 HG22 THR A 80 30.428 29.373 3.163 1.00 0.00 H new ATOM 0 HG23 THR A 80 30.600 29.814 1.448 1.00 0.00 H new ATOM 1144 N SER A 81 30.921 25.224 3.156 1.00 0.00 N ATOM 1145 CA SER A 81 31.305 24.606 4.414 1.00 0.00 C ATOM 1146 C SER A 81 32.804 24.313 4.432 1.00 0.00 C ATOM 1147 O SER A 81 33.325 23.671 3.518 1.00 0.00 O ATOM 1148 CB SER A 81 30.508 23.318 4.626 1.00 0.00 C ATOM 1149 OG SER A 81 29.114 23.577 4.584 1.00 0.00 O ATOM 0 H SER A 81 30.718 24.564 2.406 1.00 0.00 H new ATOM 0 HA SER A 81 31.082 25.298 5.227 1.00 0.00 H new ATOM 0 HB2 SER A 81 30.771 22.591 3.857 1.00 0.00 H new ATOM 0 HB3 SER A 81 30.772 22.875 5.587 1.00 0.00 H new ATOM 0 HG SER A 81 28.962 24.543 4.525 1.00 0.00 H new ATOM 1155 N PRO A 82 33.521 24.813 5.457 1.00 0.00 N ATOM 1156 CA PRO A 82 34.951 24.525 5.641 1.00 0.00 C ATOM 1157 C PRO A 82 35.218 23.023 5.726 1.00 0.00 C ATOM 1158 O PRO A 82 34.380 22.274 6.226 1.00 0.00 O ATOM 1159 CB PRO A 82 35.288 25.204 6.973 1.00 0.00 C ATOM 1160 CG PRO A 82 34.245 26.256 7.142 1.00 0.00 C ATOM 1161 CD PRO A 82 32.999 25.708 6.505 1.00 0.00 C ATOM 0 HA PRO A 82 35.554 24.884 4.807 1.00 0.00 H new ATOM 0 HB2 PRO A 82 35.267 24.490 7.797 1.00 0.00 H new ATOM 0 HB3 PRO A 82 36.288 25.638 6.953 1.00 0.00 H new ATOM 0 HG2 PRO A 82 34.080 26.476 8.197 1.00 0.00 H new ATOM 0 HG3 PRO A 82 34.550 27.188 6.666 1.00 0.00 H new ATOM 0 HD2 PRO A 82 32.383 25.169 7.225 1.00 0.00 H new ATOM 0 HD3 PRO A 82 32.379 26.501 6.085 1.00 0.00 H new ATOM 1169 N PRO A 83 36.389 22.569 5.242 1.00 0.00 N ATOM 1170 CA PRO A 83 36.750 21.141 5.198 1.00 0.00 C ATOM 1171 C PRO A 83 36.482 20.392 6.509 1.00 0.00 C ATOM 1172 O PRO A 83 35.984 19.267 6.497 1.00 0.00 O ATOM 1173 CB PRO A 83 38.249 21.174 4.905 1.00 0.00 C ATOM 1174 CG PRO A 83 38.453 22.433 4.139 1.00 0.00 C ATOM 1175 CD PRO A 83 37.454 23.421 4.676 1.00 0.00 C ATOM 0 HA PRO A 83 36.152 20.606 4.460 1.00 0.00 H new ATOM 0 HB2 PRO A 83 38.833 21.171 5.825 1.00 0.00 H new ATOM 0 HB3 PRO A 83 38.559 20.303 4.327 1.00 0.00 H new ATOM 0 HG2 PRO A 83 39.471 22.803 4.263 1.00 0.00 H new ATOM 0 HG3 PRO A 83 38.302 22.268 3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 83 37.897 24.066 5.435 1.00 0.00 H new ATOM 0 HD3 PRO A 83 37.071 24.071 3.889 1.00 0.00 H new ATOM 1183 N GLN A 84 36.809 21.016 7.631 1.00 0.00 N ATOM 1184 CA GLN A 84 36.639 20.387 8.933 1.00 0.00 C ATOM 1185 C GLN A 84 35.164 20.340 9.336 1.00 0.00 C ATOM 1186 O GLN A 84 34.704 19.368 9.931 1.00 0.00 O ATOM 1187 CB GLN A 84 37.457 21.146 9.979 1.00 0.00 C ATOM 1188 CG GLN A 84 37.517 20.461 11.330 1.00 0.00 C ATOM 1189 CD GLN A 84 38.157 19.081 11.271 1.00 0.00 C ATOM 1190 OE1 GLN A 84 39.090 18.889 10.347 1.00 0.00 O flip ATOM 1191 NE2 GLN A 84 37.823 18.197 12.057 1.00 0.00 N flip ATOM 0 H GLN A 84 37.195 21.960 7.666 1.00 0.00 H new ATOM 0 HA GLN A 84 36.997 19.359 8.872 1.00 0.00 H new ATOM 0 HB2 GLN A 84 38.472 21.279 9.605 1.00 0.00 H new ATOM 0 HB3 GLN A 84 37.031 22.141 10.106 1.00 0.00 H new ATOM 0 HG2 GLN A 84 38.079 21.087 12.023 1.00 0.00 H new ATOM 0 HG3 GLN A 84 36.507 20.370 11.730 1.00 0.00 H new ATOM 0 HE21 GLN A 84 37.102 18.381 12.755 1.00 0.00 H new ATOM 0 HE22 GLN A 84 38.267 17.280 12.012 1.00 0.00 H new ATOM 1200 N SER A 85 34.425 21.387 8.993 1.00 0.00 N ATOM 1201 CA SER A 85 33.010 21.466 9.337 1.00 0.00 C ATOM 1202 C SER A 85 32.176 20.623 8.374 1.00 0.00 C ATOM 1203 O SER A 85 31.035 20.258 8.674 1.00 0.00 O ATOM 1204 CB SER A 85 32.547 22.926 9.290 1.00 0.00 C ATOM 1205 OG SER A 85 33.462 23.771 9.970 1.00 0.00 O ATOM 0 H SER A 85 34.780 22.192 8.478 1.00 0.00 H new ATOM 0 HA SER A 85 32.873 21.076 10.346 1.00 0.00 H new ATOM 0 HB2 SER A 85 32.451 23.248 8.253 1.00 0.00 H new ATOM 0 HB3 SER A 85 31.560 23.013 9.744 1.00 0.00 H new ATOM 0 HG SER A 85 33.147 24.698 9.925 1.00 0.00 H new ATOM 1211 N TYR A 86 32.774 20.302 7.230 1.00 0.00 N ATOM 1212 CA TYR A 86 32.104 19.578 6.155 1.00 0.00 C ATOM 1213 C TYR A 86 31.498 18.272 6.652 1.00 0.00 C ATOM 1214 O TYR A 86 30.360 17.943 6.311 1.00 0.00 O ATOM 1215 CB TYR A 86 33.094 19.287 5.021 1.00 0.00 C ATOM 1216 CG TYR A 86 32.468 18.633 3.810 1.00 0.00 C ATOM 1217 CD1 TYR A 86 32.158 17.276 3.805 1.00 0.00 C ATOM 1218 CD2 TYR A 86 32.183 19.376 2.674 1.00 0.00 C ATOM 1219 CE1 TYR A 86 31.584 16.678 2.703 1.00 0.00 C ATOM 1220 CE2 TYR A 86 31.610 18.787 1.566 1.00 0.00 C ATOM 1221 CZ TYR A 86 31.310 17.440 1.584 1.00 0.00 C ATOM 1222 OH TYR A 86 30.741 16.853 0.481 1.00 0.00 O ATOM 0 H TYR A 86 33.744 20.539 7.022 1.00 0.00 H new ATOM 0 HA TYR A 86 31.295 20.208 5.785 1.00 0.00 H new ATOM 0 HB2 TYR A 86 33.564 20.221 4.714 1.00 0.00 H new ATOM 0 HB3 TYR A 86 33.886 18.642 5.401 1.00 0.00 H new ATOM 0 HD1 TYR A 86 32.371 16.680 4.680 1.00 0.00 H new ATOM 0 HD2 TYR A 86 32.413 20.431 2.657 1.00 0.00 H new ATOM 0 HE1 TYR A 86 31.351 15.624 2.715 1.00 0.00 H new ATOM 0 HE2 TYR A 86 31.397 19.378 0.687 1.00 0.00 H new ATOM 0 HH TYR A 86 31.355 16.921 -0.279 1.00 0.00 H new ATOM 1232 N SER A 87 32.264 17.535 7.448 1.00 0.00 N ATOM 1233 CA SER A 87 31.833 16.240 7.959 1.00 0.00 C ATOM 1234 C SER A 87 30.479 16.346 8.657 1.00 0.00 C ATOM 1235 O SER A 87 29.612 15.490 8.489 1.00 0.00 O ATOM 1236 CB SER A 87 32.887 15.690 8.920 1.00 0.00 C ATOM 1237 OG SER A 87 34.165 15.668 8.305 1.00 0.00 O ATOM 0 H SER A 87 33.195 17.816 7.755 1.00 0.00 H new ATOM 0 HA SER A 87 31.720 15.556 7.118 1.00 0.00 H new ATOM 0 HB2 SER A 87 32.922 16.304 9.820 1.00 0.00 H new ATOM 0 HB3 SER A 87 32.611 14.683 9.232 1.00 0.00 H new ATOM 0 HG SER A 87 34.826 15.315 8.936 1.00 0.00 H new ATOM 1243 N ALA A 88 30.279 17.432 9.393 1.00 0.00 N ATOM 1244 CA ALA A 88 29.048 17.622 10.141 1.00 0.00 C ATOM 1245 C ALA A 88 27.913 18.019 9.203 1.00 0.00 C ATOM 1246 O ALA A 88 26.756 17.675 9.426 1.00 0.00 O ATOM 1247 CB ALA A 88 29.244 18.666 11.228 1.00 0.00 C ATOM 0 H ALA A 88 30.953 18.192 9.486 1.00 0.00 H new ATOM 0 HA ALA A 88 28.780 16.680 10.619 1.00 0.00 H new ATOM 0 HB1 ALA A 88 28.313 18.797 11.779 1.00 0.00 H new ATOM 0 HB2 ALA A 88 30.027 18.337 11.911 1.00 0.00 H new ATOM 0 HB3 ALA A 88 29.533 19.614 10.774 1.00 0.00 H new ATOM 1253 N VAL A 89 28.268 18.718 8.135 1.00 0.00 N ATOM 1254 CA VAL A 89 27.300 19.163 7.138 1.00 0.00 C ATOM 1255 C VAL A 89 26.944 18.008 6.190 1.00 0.00 C ATOM 1256 O VAL A 89 26.009 18.084 5.395 1.00 0.00 O ATOM 1257 CB VAL A 89 27.857 20.363 6.336 1.00 0.00 C ATOM 1258 CG1 VAL A 89 26.827 20.910 5.359 1.00 0.00 C ATOM 1259 CG2 VAL A 89 28.322 21.462 7.283 1.00 0.00 C ATOM 0 H VAL A 89 29.230 18.993 7.934 1.00 0.00 H new ATOM 0 HA VAL A 89 26.396 19.484 7.655 1.00 0.00 H new ATOM 0 HB VAL A 89 28.709 20.008 5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 89 27.254 21.752 4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 89 26.542 20.128 4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 89 25.946 21.242 5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 89 28.711 22.300 6.705 1.00 0.00 H new ATOM 0 HG22 VAL A 89 27.482 21.799 7.890 1.00 0.00 H new ATOM 0 HG23 VAL A 89 29.106 21.074 7.933 1.00 0.00 H new ATOM 1269 N LEU A 90 27.711 16.938 6.274 1.00 0.00 N ATOM 1270 CA LEU A 90 27.425 15.728 5.528 1.00 0.00 C ATOM 1271 C LEU A 90 26.606 14.780 6.395 1.00 0.00 C ATOM 1272 O LEU A 90 25.493 14.396 6.031 1.00 0.00 O ATOM 1273 CB LEU A 90 28.754 15.091 5.084 1.00 0.00 C ATOM 1274 CG LEU A 90 28.699 13.712 4.395 1.00 0.00 C ATOM 1275 CD1 LEU A 90 27.377 13.467 3.682 1.00 0.00 C ATOM 1276 CD2 LEU A 90 29.844 13.569 3.403 1.00 0.00 C ATOM 0 H LEU A 90 28.545 16.883 6.858 1.00 0.00 H new ATOM 0 HA LEU A 90 26.839 15.954 4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 90 29.247 15.785 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.392 15.000 5.963 1.00 0.00 H new ATOM 0 HG LEU A 90 28.793 12.965 5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 90 27.393 12.482 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 90 26.561 13.514 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 90 27.229 14.229 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 90 29.791 12.591 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 90 29.768 14.348 2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 90 30.794 13.666 3.928 1.00 0.00 H new ATOM 1288 N ASN A 91 27.160 14.441 7.548 1.00 0.00 N ATOM 1289 CA ASN A 91 26.514 13.516 8.488 1.00 0.00 C ATOM 1290 C ASN A 91 25.091 13.951 8.847 1.00 0.00 C ATOM 1291 O ASN A 91 24.164 13.141 8.806 1.00 0.00 O ATOM 1292 CB ASN A 91 27.348 13.378 9.767 1.00 0.00 C ATOM 1293 CG ASN A 91 28.660 12.646 9.538 1.00 0.00 C ATOM 1294 OD1 ASN A 91 28.768 11.799 8.652 1.00 0.00 O ATOM 1295 ND2 ASN A 91 29.665 12.958 10.344 1.00 0.00 N ATOM 0 H ASN A 91 28.064 14.792 7.865 1.00 0.00 H new ATOM 0 HA ASN A 91 26.450 12.551 7.986 1.00 0.00 H new ATOM 0 HB2 ASN A 91 27.556 14.370 10.169 1.00 0.00 H new ATOM 0 HB3 ASN A 91 26.766 12.845 10.519 1.00 0.00 H new ATOM 0 HD21 ASN A 91 30.566 12.490 10.241 1.00 0.00 H new ATOM 0 HD22 ASN A 91 29.538 13.666 11.067 1.00 0.00 H new ATOM 1302 N THR A 92 24.921 15.225 9.192 1.00 0.00 N ATOM 1303 CA THR A 92 23.615 15.738 9.607 1.00 0.00 C ATOM 1304 C THR A 92 22.572 15.579 8.500 1.00 0.00 C ATOM 1305 O THR A 92 21.494 15.029 8.727 1.00 0.00 O ATOM 1306 CB THR A 92 23.702 17.224 10.012 1.00 0.00 C ATOM 1307 OG1 THR A 92 24.685 17.394 11.040 1.00 0.00 O ATOM 1308 CG2 THR A 92 22.356 17.739 10.503 1.00 0.00 C ATOM 0 H THR A 92 25.667 15.920 9.193 1.00 0.00 H new ATOM 0 HA THR A 92 23.306 15.149 10.470 1.00 0.00 H new ATOM 0 HB THR A 92 23.990 17.798 9.131 1.00 0.00 H new ATOM 0 HG1 THR A 92 25.581 17.374 10.643 1.00 0.00 H new ATOM 0 HG21 THR A 92 22.448 18.789 10.781 1.00 0.00 H new ATOM 0 HG22 THR A 92 21.616 17.637 9.709 1.00 0.00 H new ATOM 0 HG23 THR A 92 22.039 17.160 11.370 1.00 0.00 H new ATOM 1316 N ILE A 93 22.910 16.042 7.302 1.00 0.00 N ATOM 1317 CA ILE A 93 21.990 16.004 6.169 1.00 0.00 C ATOM 1318 C ILE A 93 21.555 14.574 5.866 1.00 0.00 C ATOM 1319 O ILE A 93 20.373 14.309 5.646 1.00 0.00 O ATOM 1320 CB ILE A 93 22.636 16.625 4.911 1.00 0.00 C ATOM 1321 CG1 ILE A 93 22.997 18.089 5.168 1.00 0.00 C ATOM 1322 CG2 ILE A 93 21.715 16.512 3.703 1.00 0.00 C ATOM 1323 CD1 ILE A 93 21.808 18.974 5.480 1.00 0.00 C ATOM 0 H ILE A 93 23.820 16.451 7.089 1.00 0.00 H new ATOM 0 HA ILE A 93 21.112 16.590 6.442 1.00 0.00 H new ATOM 0 HB ILE A 93 23.547 16.068 4.692 1.00 0.00 H new ATOM 0 HG12 ILE A 93 23.701 18.138 5.999 1.00 0.00 H new ATOM 0 HG13 ILE A 93 23.511 18.485 4.292 1.00 0.00 H new ATOM 0 HG21 ILE A 93 22.198 16.958 2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.505 15.461 3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 93 20.781 17.036 3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 93 22.149 19.995 5.649 1.00 0.00 H new ATOM 0 HD12 ILE A 93 21.113 18.958 4.641 1.00 0.00 H new ATOM 0 HD13 ILE A 93 21.306 18.606 6.375 1.00 0.00 H new ATOM 1335 N GLY A 94 22.521 13.662 5.880 1.00 0.00 N ATOM 1336 CA GLY A 94 22.234 12.260 5.613 1.00 0.00 C ATOM 1337 C GLY A 94 21.209 11.682 6.566 1.00 0.00 C ATOM 1338 O GLY A 94 20.291 10.968 6.156 1.00 0.00 O ATOM 0 H GLY A 94 23.502 13.867 6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 94 21.872 12.156 4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 94 23.157 11.684 5.685 1.00 0.00 H new ATOM 1342 N ALA A 95 21.360 12.009 7.837 1.00 0.00 N ATOM 1343 CA ALA A 95 20.440 11.540 8.863 1.00 0.00 C ATOM 1344 C ALA A 95 19.070 12.185 8.690 1.00 0.00 C ATOM 1345 O ALA A 95 18.041 11.513 8.771 1.00 0.00 O ATOM 1346 CB ALA A 95 20.994 11.835 10.246 1.00 0.00 C ATOM 0 H ALA A 95 22.114 12.600 8.187 1.00 0.00 H new ATOM 0 HA ALA A 95 20.328 10.461 8.757 1.00 0.00 H new ATOM 0 HB1 ALA A 95 20.294 11.478 11.002 1.00 0.00 H new ATOM 0 HB2 ALA A 95 21.951 11.329 10.370 1.00 0.00 H new ATOM 0 HB3 ALA A 95 21.134 12.910 10.360 1.00 0.00 H new ATOM 1352 N CYS A 96 19.068 13.491 8.438 1.00 0.00 N ATOM 1353 CA CYS A 96 17.832 14.234 8.240 1.00 0.00 C ATOM 1354 C CYS A 96 17.043 13.676 7.061 1.00 0.00 C ATOM 1355 O CYS A 96 15.833 13.502 7.155 1.00 0.00 O ATOM 1356 CB CYS A 96 18.125 15.722 8.016 1.00 0.00 C ATOM 1357 SG CYS A 96 18.829 16.578 9.462 1.00 0.00 S ATOM 0 H CYS A 96 19.914 14.057 8.366 1.00 0.00 H new ATOM 0 HA CYS A 96 17.230 14.126 9.142 1.00 0.00 H new ATOM 0 HB2 CYS A 96 18.816 15.822 7.179 1.00 0.00 H new ATOM 0 HB3 CYS A 96 17.200 16.222 7.728 1.00 0.00 H new ATOM 1362 N LEU A 97 17.740 13.374 5.966 1.00 0.00 N ATOM 1363 CA LEU A 97 17.097 12.873 4.753 1.00 0.00 C ATOM 1364 C LEU A 97 16.447 11.515 5.022 1.00 0.00 C ATOM 1365 O LEU A 97 15.320 11.256 4.592 1.00 0.00 O ATOM 1366 CB LEU A 97 18.135 12.779 3.620 1.00 0.00 C ATOM 1367 CG LEU A 97 17.596 12.844 2.175 1.00 0.00 C ATOM 1368 CD1 LEU A 97 16.844 11.577 1.801 1.00 0.00 C ATOM 1369 CD2 LEU A 97 16.702 14.061 1.986 1.00 0.00 C ATOM 0 H LEU A 97 18.753 13.468 5.895 1.00 0.00 H new ATOM 0 HA LEU A 97 16.312 13.564 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 97 18.855 13.587 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 97 18.682 11.843 3.737 1.00 0.00 H new ATOM 0 HG LEU A 97 18.456 12.933 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 97 16.479 11.659 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 97 17.513 10.720 1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 97 16.000 11.442 2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 97 16.334 14.086 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 97 15.858 14.003 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 97 17.273 14.967 2.189 1.00 0.00 H new ATOM 1381 N ARG A 98 17.158 10.658 5.751 1.00 0.00 N ATOM 1382 CA ARG A 98 16.639 9.345 6.124 1.00 0.00 C ATOM 1383 C ARG A 98 15.339 9.484 6.919 1.00 0.00 C ATOM 1384 O ARG A 98 14.385 8.732 6.711 1.00 0.00 O ATOM 1385 CB ARG A 98 17.705 8.577 6.924 1.00 0.00 C ATOM 1386 CG ARG A 98 17.198 7.323 7.628 1.00 0.00 C ATOM 1387 CD ARG A 98 16.824 7.613 9.074 1.00 0.00 C ATOM 1388 NE ARG A 98 16.267 6.443 9.755 1.00 0.00 N ATOM 1389 CZ ARG A 98 16.499 6.143 11.035 1.00 0.00 C ATOM 1390 NH1 ARG A 98 17.314 6.896 11.763 1.00 0.00 N ATOM 1391 NH2 ARG A 98 15.915 5.087 11.584 1.00 0.00 N ATOM 0 H ARG A 98 18.098 10.851 6.096 1.00 0.00 H new ATOM 0 HA ARG A 98 16.410 8.780 5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 98 18.513 8.296 6.249 1.00 0.00 H new ATOM 0 HB3 ARG A 98 18.132 9.247 7.670 1.00 0.00 H new ATOM 0 HG2 ARG A 98 16.330 6.931 7.097 1.00 0.00 H new ATOM 0 HG3 ARG A 98 17.966 6.550 7.597 1.00 0.00 H new ATOM 0 HD2 ARG A 98 17.707 7.956 9.612 1.00 0.00 H new ATOM 0 HD3 ARG A 98 16.098 8.425 9.102 1.00 0.00 H new ATOM 0 HE ARG A 98 15.665 5.819 9.219 1.00 0.00 H new ATOM 0 HH11 ARG A 98 17.767 7.709 11.345 1.00 0.00 H new ATOM 0 HH12 ARG A 98 17.488 6.662 12.741 1.00 0.00 H new ATOM 0 HH21 ARG A 98 15.289 4.504 11.028 1.00 0.00 H new ATOM 0 HH22 ARG A 98 16.092 4.857 12.562 1.00 0.00 H new ATOM 1405 N GLU A 99 15.310 10.459 7.814 1.00 0.00 N ATOM 1406 CA GLU A 99 14.134 10.721 8.629 1.00 0.00 C ATOM 1407 C GLU A 99 13.023 11.338 7.801 1.00 0.00 C ATOM 1408 O GLU A 99 11.922 10.794 7.703 1.00 0.00 O ATOM 1409 CB GLU A 99 14.487 11.677 9.763 1.00 0.00 C ATOM 1410 CG GLU A 99 15.458 11.105 10.768 1.00 0.00 C ATOM 1411 CD GLU A 99 14.844 10.001 11.606 1.00 0.00 C ATOM 1412 OE1 GLU A 99 13.596 9.897 11.644 1.00 0.00 O ATOM 1413 OE2 GLU A 99 15.599 9.238 12.236 1.00 0.00 O ATOM 0 H GLU A 99 16.094 11.086 7.995 1.00 0.00 H new ATOM 0 HA GLU A 99 13.791 9.769 9.033 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.913 12.586 9.339 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.572 11.965 10.280 1.00 0.00 H new ATOM 0 HG2 GLU A 99 16.331 10.716 10.244 1.00 0.00 H new ATOM 0 HG3 GLU A 99 15.809 11.902 11.424 1.00 0.00 H new ATOM 1420 N SER A 100 13.337 12.478 7.208 1.00 0.00 N ATOM 1421 CA SER A 100 12.364 13.278 6.483 1.00 0.00 C ATOM 1422 C SER A 100 11.602 12.454 5.453 1.00 0.00 C ATOM 1423 O SER A 100 10.394 12.635 5.280 1.00 0.00 O ATOM 1424 CB SER A 100 13.062 14.457 5.804 1.00 0.00 C ATOM 1425 OG SER A 100 14.124 14.023 4.977 1.00 0.00 O ATOM 0 H SER A 100 14.276 12.876 7.216 1.00 0.00 H new ATOM 0 HA SER A 100 11.637 13.650 7.205 1.00 0.00 H new ATOM 0 HB2 SER A 100 12.340 15.015 5.208 1.00 0.00 H new ATOM 0 HB3 SER A 100 13.445 15.140 6.562 1.00 0.00 H new ATOM 0 HG SER A 100 14.847 13.665 5.534 1.00 0.00 H new ATOM 1431 N MET A 101 12.307 11.546 4.784 1.00 0.00 N ATOM 1432 CA MET A 101 11.711 10.727 3.747 1.00 0.00 C ATOM 1433 C MET A 101 10.576 9.868 4.297 1.00 0.00 C ATOM 1434 O MET A 101 9.465 9.883 3.767 1.00 0.00 O ATOM 1435 CB MET A 101 12.759 9.838 3.098 1.00 0.00 C ATOM 1436 CG MET A 101 12.218 9.138 1.893 1.00 0.00 C ATOM 1437 SD MET A 101 13.432 8.123 1.054 1.00 0.00 S ATOM 1438 CE MET A 101 12.475 7.799 -0.406 1.00 0.00 C ATOM 0 H MET A 101 13.297 11.362 4.947 1.00 0.00 H new ATOM 0 HA MET A 101 11.298 11.401 2.997 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.622 10.440 2.813 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.110 9.101 3.821 1.00 0.00 H new ATOM 0 HG2 MET A 101 11.377 8.512 2.193 1.00 0.00 H new ATOM 0 HG3 MET A 101 11.831 9.880 1.195 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.118 7.372 -1.175 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.677 7.096 -0.169 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.042 8.730 -0.771 1.00 0.00 H new ATOM 1448 N MET A 102 10.839 9.142 5.379 1.00 0.00 N ATOM 1449 CA MET A 102 9.847 8.208 5.891 1.00 0.00 C ATOM 1450 C MET A 102 8.775 8.933 6.689 1.00 0.00 C ATOM 1451 O MET A 102 7.652 8.448 6.806 1.00 0.00 O ATOM 1452 CB MET A 102 10.482 7.103 6.736 1.00 0.00 C ATOM 1453 CG MET A 102 10.976 7.548 8.101 1.00 0.00 C ATOM 1454 SD MET A 102 11.512 6.153 9.107 1.00 0.00 S ATOM 1455 CE MET A 102 10.066 5.094 9.006 1.00 0.00 C ATOM 0 H MET A 102 11.711 9.181 5.907 1.00 0.00 H new ATOM 0 HA MET A 102 9.380 7.736 5.026 1.00 0.00 H new ATOM 0 HB2 MET A 102 9.752 6.305 6.872 1.00 0.00 H new ATOM 0 HB3 MET A 102 11.320 6.678 6.183 1.00 0.00 H new ATOM 0 HG2 MET A 102 11.804 8.246 7.978 1.00 0.00 H new ATOM 0 HG3 MET A 102 10.180 8.084 8.618 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.051 4.416 9.860 1.00 0.00 H new ATOM 0 HE2 MET A 102 9.165 5.707 9.013 1.00 0.00 H new ATOM 0 HE3 MET A 102 10.103 4.515 8.084 1.00 0.00 H new ATOM 1465 N GLN A 103 9.120 10.099 7.227 1.00 0.00 N ATOM 1466 CA GLN A 103 8.136 10.935 7.919 1.00 0.00 C ATOM 1467 C GLN A 103 7.131 11.529 6.936 1.00 0.00 C ATOM 1468 O GLN A 103 6.117 12.092 7.342 1.00 0.00 O ATOM 1469 CB GLN A 103 8.804 12.065 8.708 1.00 0.00 C ATOM 1470 CG GLN A 103 9.024 11.747 10.184 1.00 0.00 C ATOM 1471 CD GLN A 103 10.094 10.700 10.428 1.00 0.00 C ATOM 1472 OE1 GLN A 103 9.821 9.499 10.440 1.00 0.00 O ATOM 1473 NE2 GLN A 103 11.314 11.152 10.667 1.00 0.00 N ATOM 0 H GLN A 103 10.063 10.486 7.200 1.00 0.00 H new ATOM 0 HA GLN A 103 7.612 10.286 8.620 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.766 12.295 8.249 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.190 12.962 8.628 1.00 0.00 H new ATOM 0 HG2 GLN A 103 9.298 12.663 10.707 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.085 11.402 10.616 1.00 0.00 H new ATOM 0 HE21 GLN A 103 11.499 12.155 10.648 1.00 0.00 H new ATOM 0 HE22 GLN A 103 12.070 10.498 10.871 1.00 0.00 H new ATOM 1482 N ALA A 104 7.425 11.420 5.646 1.00 0.00 N ATOM 1483 CA ALA A 104 6.513 11.903 4.620 1.00 0.00 C ATOM 1484 C ALA A 104 5.350 10.930 4.444 1.00 0.00 C ATOM 1485 O ALA A 104 4.219 11.229 4.832 1.00 0.00 O ATOM 1486 CB ALA A 104 7.249 12.114 3.303 1.00 0.00 C ATOM 0 H ALA A 104 8.284 11.003 5.288 1.00 0.00 H new ATOM 0 HA ALA A 104 6.110 12.865 4.938 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.550 12.475 2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.042 12.848 3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.682 11.170 2.973 1.00 0.00 H new ATOM 1492 N THR A 105 5.646 9.762 3.869 1.00 0.00 N ATOM 1493 CA THR A 105 4.641 8.722 3.651 1.00 0.00 C ATOM 1494 C THR A 105 5.244 7.538 2.892 1.00 0.00 C ATOM 1495 O THR A 105 4.938 6.379 3.181 1.00 0.00 O ATOM 1496 CB THR A 105 3.403 9.254 2.880 1.00 0.00 C ATOM 1497 OG1 THR A 105 2.471 8.192 2.646 1.00 0.00 O ATOM 1498 CG2 THR A 105 3.801 9.880 1.551 1.00 0.00 C ATOM 0 H THR A 105 6.580 9.513 3.544 1.00 0.00 H new ATOM 0 HA THR A 105 4.310 8.395 4.637 1.00 0.00 H new ATOM 0 HB THR A 105 2.937 10.022 3.497 1.00 0.00 H new ATOM 0 HG1 THR A 105 1.694 8.540 2.161 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.910 10.242 1.038 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.480 10.714 1.730 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.298 9.134 0.932 1.00 0.00 H new ATOM 1506 N GLY A 106 6.140 7.832 1.954 1.00 0.00 N ATOM 1507 CA GLY A 106 6.692 6.802 1.091 1.00 0.00 C ATOM 1508 C GLY A 106 7.847 6.048 1.719 1.00 0.00 C ATOM 1509 O GLY A 106 8.732 5.580 1.005 1.00 0.00 O ATOM 0 H GLY A 106 6.495 8.771 1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.904 6.095 0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.029 7.260 0.161 1.00 0.00 H new ATOM 1513 N SER A 107 7.832 5.922 3.052 1.00 0.00 N ATOM 1514 CA SER A 107 8.906 5.281 3.807 1.00 0.00 C ATOM 1515 C SER A 107 10.267 5.861 3.421 1.00 0.00 C ATOM 1516 O SER A 107 10.350 6.922 2.806 1.00 0.00 O ATOM 1517 CB SER A 107 8.878 3.747 3.638 1.00 0.00 C ATOM 1518 OG SER A 107 8.980 3.347 2.283 1.00 0.00 O ATOM 0 H SER A 107 7.069 6.265 3.636 1.00 0.00 H new ATOM 0 HA SER A 107 8.741 5.492 4.864 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.698 3.307 4.206 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.952 3.355 4.060 1.00 0.00 H new ATOM 0 HG SER A 107 9.293 4.102 1.742 1.00 0.00 H new ATOM 1524 N VAL A 108 11.329 5.194 3.822 1.00 0.00 N ATOM 1525 CA VAL A 108 12.664 5.633 3.494 1.00 0.00 C ATOM 1526 C VAL A 108 13.369 4.582 2.641 1.00 0.00 C ATOM 1527 O VAL A 108 13.709 3.495 3.110 1.00 0.00 O ATOM 1528 CB VAL A 108 13.464 5.962 4.773 1.00 0.00 C ATOM 1529 CG1 VAL A 108 13.302 4.870 5.819 1.00 0.00 C ATOM 1530 CG2 VAL A 108 14.934 6.203 4.459 1.00 0.00 C ATOM 0 H VAL A 108 11.290 4.341 4.379 1.00 0.00 H new ATOM 0 HA VAL A 108 12.599 6.551 2.909 1.00 0.00 H new ATOM 0 HB VAL A 108 13.057 6.885 5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.877 5.130 6.708 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.249 4.773 6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 108 13.664 3.924 5.416 1.00 0.00 H new ATOM 0 HG21 VAL A 108 15.470 6.432 5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 108 15.360 5.309 4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 108 15.026 7.041 3.768 1.00 0.00 H new ATOM 1540 N ASP A 109 13.534 4.907 1.371 1.00 0.00 N ATOM 1541 CA ASP A 109 14.126 3.990 0.403 1.00 0.00 C ATOM 1542 C ASP A 109 15.628 3.853 0.636 1.00 0.00 C ATOM 1543 O ASP A 109 16.293 4.799 1.064 1.00 0.00 O ATOM 1544 CB ASP A 109 13.845 4.473 -1.023 1.00 0.00 C ATOM 1545 CG ASP A 109 14.382 3.530 -2.083 1.00 0.00 C ATOM 1546 OD1 ASP A 109 13.651 2.600 -2.488 1.00 0.00 O ATOM 1547 OD2 ASP A 109 15.535 3.720 -2.522 1.00 0.00 O ATOM 0 H ASP A 109 13.264 5.809 0.979 1.00 0.00 H new ATOM 0 HA ASP A 109 13.672 3.008 0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.769 4.587 -1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 109 14.290 5.458 -1.162 1.00 0.00 H new ATOM 1552 N ASN A 110 16.157 2.674 0.341 1.00 0.00 N ATOM 1553 CA ASN A 110 17.547 2.350 0.652 1.00 0.00 C ATOM 1554 C ASN A 110 18.510 2.960 -0.359 1.00 0.00 C ATOM 1555 O ASN A 110 19.676 3.204 -0.047 1.00 0.00 O ATOM 1556 CB ASN A 110 17.744 0.831 0.692 1.00 0.00 C ATOM 1557 CG ASN A 110 16.867 0.153 1.729 1.00 0.00 C ATOM 1558 OD1 ASN A 110 17.225 0.070 2.902 1.00 0.00 O ATOM 1559 ND2 ASN A 110 15.726 -0.366 1.297 1.00 0.00 N ATOM 0 H ASN A 110 15.643 1.920 -0.116 1.00 0.00 H new ATOM 0 HA ASN A 110 17.767 2.775 1.631 1.00 0.00 H new ATOM 0 HB2 ASN A 110 17.525 0.414 -0.291 1.00 0.00 H new ATOM 0 HB3 ASN A 110 18.790 0.610 0.906 1.00 0.00 H new ATOM 0 HD21 ASN A 110 15.110 -0.855 1.946 1.00 0.00 H new ATOM 0 HD22 ASN A 110 15.464 -0.276 0.315 1.00 0.00 H new ATOM 1566 N ALA A 111 18.024 3.209 -1.566 1.00 0.00 N ATOM 1567 CA ALA A 111 18.869 3.716 -2.637 1.00 0.00 C ATOM 1568 C ALA A 111 18.685 5.213 -2.819 1.00 0.00 C ATOM 1569 O ALA A 111 19.663 5.939 -2.942 1.00 0.00 O ATOM 1570 CB ALA A 111 18.573 2.989 -3.938 1.00 0.00 C ATOM 0 H ALA A 111 17.048 3.068 -1.828 1.00 0.00 H new ATOM 0 HA ALA A 111 19.907 3.532 -2.359 1.00 0.00 H new ATOM 0 HB1 ALA A 111 19.214 3.381 -4.728 1.00 0.00 H new ATOM 0 HB2 ALA A 111 18.764 1.923 -3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 111 17.528 3.140 -4.210 1.00 0.00 H new ATOM 1576 N PHE A 112 17.432 5.666 -2.822 1.00 0.00 N ATOM 1577 CA PHE A 112 17.121 7.076 -3.069 1.00 0.00 C ATOM 1578 C PHE A 112 17.843 7.994 -2.082 1.00 0.00 C ATOM 1579 O PHE A 112 18.383 9.031 -2.472 1.00 0.00 O ATOM 1580 CB PHE A 112 15.612 7.315 -2.996 1.00 0.00 C ATOM 1581 CG PHE A 112 15.227 8.757 -3.190 1.00 0.00 C ATOM 1582 CD1 PHE A 112 15.172 9.310 -4.459 1.00 0.00 C ATOM 1583 CD2 PHE A 112 14.927 9.562 -2.100 1.00 0.00 C ATOM 1584 CE1 PHE A 112 14.830 10.637 -4.637 1.00 0.00 C ATOM 1585 CE2 PHE A 112 14.587 10.888 -2.273 1.00 0.00 C ATOM 1586 CZ PHE A 112 14.535 11.425 -3.542 1.00 0.00 C ATOM 0 H PHE A 112 16.615 5.078 -2.656 1.00 0.00 H new ATOM 0 HA PHE A 112 17.473 7.316 -4.072 1.00 0.00 H new ATOM 0 HB2 PHE A 112 15.118 6.709 -3.756 1.00 0.00 H new ATOM 0 HB3 PHE A 112 15.244 6.975 -2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.399 8.697 -5.319 1.00 0.00 H new ATOM 0 HD2 PHE A 112 14.960 9.145 -1.104 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.793 11.057 -5.631 1.00 0.00 H new ATOM 0 HE2 PHE A 112 14.362 11.505 -1.415 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.264 12.461 -3.679 1.00 0.00 H new ATOM 1596 N THR A 113 17.845 7.608 -0.812 1.00 0.00 N ATOM 1597 CA THR A 113 18.551 8.356 0.220 1.00 0.00 C ATOM 1598 C THR A 113 20.023 8.518 -0.153 1.00 0.00 C ATOM 1599 O THR A 113 20.542 9.630 -0.243 1.00 0.00 O ATOM 1600 CB THR A 113 18.443 7.634 1.578 1.00 0.00 C ATOM 1601 OG1 THR A 113 18.625 6.225 1.387 1.00 0.00 O ATOM 1602 CG2 THR A 113 17.096 7.892 2.242 1.00 0.00 C ATOM 0 H THR A 113 17.363 6.776 -0.471 1.00 0.00 H new ATOM 0 HA THR A 113 18.091 9.341 0.301 1.00 0.00 H new ATOM 0 HB THR A 113 19.221 8.025 2.233 1.00 0.00 H new ATOM 0 HG1 THR A 113 17.750 5.785 1.346 1.00 0.00 H new ATOM 0 HG21 THR A 113 17.055 7.368 3.197 1.00 0.00 H new ATOM 0 HG22 THR A 113 16.972 8.962 2.410 1.00 0.00 H new ATOM 0 HG23 THR A 113 16.296 7.531 1.595 1.00 0.00 H new ATOM 1610 N ASN A 114 20.669 7.389 -0.388 1.00 0.00 N ATOM 1611 CA ASN A 114 22.066 7.339 -0.802 1.00 0.00 C ATOM 1612 C ASN A 114 22.296 8.106 -2.110 1.00 0.00 C ATOM 1613 O ASN A 114 23.282 8.834 -2.251 1.00 0.00 O ATOM 1614 CB ASN A 114 22.467 5.865 -0.955 1.00 0.00 C ATOM 1615 CG ASN A 114 23.691 5.647 -1.824 1.00 0.00 C ATOM 1616 OD1 ASN A 114 24.824 5.733 -1.355 1.00 0.00 O ATOM 1617 ND2 ASN A 114 23.463 5.323 -3.089 1.00 0.00 N ATOM 0 H ASN A 114 20.236 6.470 -0.297 1.00 0.00 H new ATOM 0 HA ASN A 114 22.685 7.821 -0.045 1.00 0.00 H new ATOM 0 HB2 ASN A 114 22.656 5.446 0.033 1.00 0.00 H new ATOM 0 HB3 ASN A 114 21.629 5.313 -1.380 1.00 0.00 H new ATOM 0 HD21 ASN A 114 24.245 5.133 -3.716 1.00 0.00 H new ATOM 0 HD22 ASN A 114 22.506 5.263 -3.436 1.00 0.00 H new ATOM 1624 N GLU A 115 21.363 7.945 -3.041 1.00 0.00 N ATOM 1625 CA GLU A 115 21.425 8.539 -4.353 1.00 0.00 C ATOM 1626 C GLU A 115 21.567 10.059 -4.271 1.00 0.00 C ATOM 1627 O GLU A 115 22.552 10.626 -4.750 1.00 0.00 O ATOM 1628 CB GLU A 115 20.143 8.148 -5.082 1.00 0.00 C ATOM 1629 CG GLU A 115 20.269 8.135 -6.580 1.00 0.00 C ATOM 1630 CD GLU A 115 19.049 7.532 -7.254 1.00 0.00 C ATOM 1631 OE1 GLU A 115 18.895 6.293 -7.202 1.00 0.00 O ATOM 1632 OE2 GLU A 115 18.235 8.287 -7.825 1.00 0.00 O ATOM 0 H GLU A 115 20.525 7.382 -2.892 1.00 0.00 H new ATOM 0 HA GLU A 115 22.301 8.178 -4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 115 19.834 7.159 -4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 115 19.351 8.842 -4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 115 20.414 9.154 -6.939 1.00 0.00 H new ATOM 0 HG3 GLU A 115 21.156 7.568 -6.863 1.00 0.00 H new ATOM 1639 N VAL A 116 20.598 10.706 -3.636 1.00 0.00 N ATOM 1640 CA VAL A 116 20.583 12.161 -3.541 1.00 0.00 C ATOM 1641 C VAL A 116 21.720 12.670 -2.652 1.00 0.00 C ATOM 1642 O VAL A 116 22.362 13.670 -2.969 1.00 0.00 O ATOM 1643 CB VAL A 116 19.217 12.680 -3.023 1.00 0.00 C ATOM 1644 CG1 VAL A 116 18.956 12.257 -1.587 1.00 0.00 C ATOM 1645 CG2 VAL A 116 19.123 14.190 -3.163 1.00 0.00 C ATOM 0 H VAL A 116 19.811 10.246 -3.178 1.00 0.00 H new ATOM 0 HA VAL A 116 20.734 12.552 -4.547 1.00 0.00 H new ATOM 0 HB VAL A 116 18.444 12.225 -3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 116 17.989 12.642 -1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 116 18.953 11.169 -1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 116 19.739 12.656 -0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 116 18.156 14.530 -2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 116 19.918 14.659 -2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 116 19.227 14.465 -4.213 1.00 0.00 H new ATOM 1655 N MET A 117 21.980 11.957 -1.562 1.00 0.00 N ATOM 1656 CA MET A 117 23.009 12.347 -0.604 1.00 0.00 C ATOM 1657 C MET A 117 24.383 12.461 -1.251 1.00 0.00 C ATOM 1658 O MET A 117 25.051 13.487 -1.117 1.00 0.00 O ATOM 1659 CB MET A 117 23.063 11.357 0.559 1.00 0.00 C ATOM 1660 CG MET A 117 21.990 11.597 1.606 1.00 0.00 C ATOM 1661 SD MET A 117 21.981 13.302 2.194 1.00 0.00 S ATOM 1662 CE MET A 117 23.712 13.526 2.595 1.00 0.00 C ATOM 0 H MET A 117 21.487 11.098 -1.318 1.00 0.00 H new ATOM 0 HA MET A 117 22.736 13.333 -0.228 1.00 0.00 H new ATOM 0 HB2 MET A 117 22.960 10.344 0.169 1.00 0.00 H new ATOM 0 HB3 MET A 117 24.043 11.418 1.033 1.00 0.00 H new ATOM 0 HG2 MET A 117 21.014 11.354 1.186 1.00 0.00 H new ATOM 0 HG3 MET A 117 22.150 10.925 2.449 1.00 0.00 H new ATOM 0 HE1 MET A 117 23.828 14.407 3.226 1.00 0.00 H new ATOM 0 HE2 MET A 117 24.079 12.648 3.127 1.00 0.00 H new ATOM 0 HE3 MET A 117 24.284 13.659 1.677 1.00 0.00 H new ATOM 1672 N GLN A 118 24.803 11.418 -1.954 1.00 0.00 N ATOM 1673 CA GLN A 118 26.120 11.407 -2.582 1.00 0.00 C ATOM 1674 C GLN A 118 26.214 12.505 -3.638 1.00 0.00 C ATOM 1675 O GLN A 118 27.245 13.172 -3.766 1.00 0.00 O ATOM 1676 CB GLN A 118 26.400 10.035 -3.207 1.00 0.00 C ATOM 1677 CG GLN A 118 27.788 9.901 -3.822 1.00 0.00 C ATOM 1678 CD GLN A 118 28.904 10.070 -2.809 1.00 0.00 C ATOM 1679 OE1 GLN A 118 28.744 9.762 -1.628 1.00 0.00 O ATOM 1680 NE2 GLN A 118 30.048 10.552 -3.267 1.00 0.00 N ATOM 0 H GLN A 118 24.255 10.571 -2.104 1.00 0.00 H new ATOM 0 HA GLN A 118 26.873 11.599 -1.817 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.278 9.268 -2.442 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.653 9.839 -3.977 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.878 8.922 -4.293 1.00 0.00 H new ATOM 0 HG3 GLN A 118 27.904 10.646 -4.610 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.140 10.795 -4.253 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.837 10.680 -2.634 1.00 0.00 H new ATOM 1689 N LEU A 119 25.125 12.703 -4.373 1.00 0.00 N ATOM 1690 CA LEU A 119 25.053 13.758 -5.373 1.00 0.00 C ATOM 1691 C LEU A 119 25.236 15.129 -4.727 1.00 0.00 C ATOM 1692 O LEU A 119 25.972 15.962 -5.247 1.00 0.00 O ATOM 1693 CB LEU A 119 23.722 13.687 -6.123 1.00 0.00 C ATOM 1694 CG LEU A 119 23.628 12.576 -7.173 1.00 0.00 C ATOM 1695 CD1 LEU A 119 22.174 12.241 -7.468 1.00 0.00 C ATOM 1696 CD2 LEU A 119 24.336 12.997 -8.453 1.00 0.00 C ATOM 0 H LEU A 119 24.277 12.142 -4.293 1.00 0.00 H new ATOM 0 HA LEU A 119 25.862 13.612 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 119 22.920 13.549 -5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 119 23.547 14.645 -6.613 1.00 0.00 H new ATOM 0 HG LEU A 119 24.117 11.686 -6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 119 22.128 11.450 -8.216 1.00 0.00 H new ATOM 0 HD12 LEU A 119 21.685 11.905 -6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 119 21.666 13.128 -7.846 1.00 0.00 H new ATOM 0 HD21 LEU A 119 24.261 12.198 -9.190 1.00 0.00 H new ATOM 0 HD22 LEU A 119 23.869 13.899 -8.847 1.00 0.00 H new ATOM 0 HD23 LEU A 119 25.386 13.196 -8.239 1.00 0.00 H new ATOM 1708 N VAL A 120 24.587 15.349 -3.581 1.00 0.00 N ATOM 1709 CA VAL A 120 24.738 16.599 -2.839 1.00 0.00 C ATOM 1710 C VAL A 120 26.211 16.894 -2.562 1.00 0.00 C ATOM 1711 O VAL A 120 26.679 18.017 -2.744 1.00 0.00 O ATOM 1712 CB VAL A 120 23.982 16.559 -1.488 1.00 0.00 C ATOM 1713 CG1 VAL A 120 24.285 17.796 -0.654 1.00 0.00 C ATOM 1714 CG2 VAL A 120 22.488 16.441 -1.706 1.00 0.00 C ATOM 0 H VAL A 120 23.953 14.677 -3.149 1.00 0.00 H new ATOM 0 HA VAL A 120 24.312 17.385 -3.463 1.00 0.00 H new ATOM 0 HB VAL A 120 24.328 15.679 -0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 120 23.741 17.741 0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 120 25.355 17.846 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 120 23.976 18.687 -1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 120 21.981 16.415 -0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 120 22.135 17.299 -2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 120 22.272 15.524 -2.255 1.00 0.00 H new ATOM 1724 N LYS A 121 26.942 15.876 -2.132 1.00 0.00 N ATOM 1725 CA LYS A 121 28.328 16.058 -1.734 1.00 0.00 C ATOM 1726 C LYS A 121 29.215 16.264 -2.954 1.00 0.00 C ATOM 1727 O LYS A 121 30.046 17.171 -2.996 1.00 0.00 O ATOM 1728 CB LYS A 121 28.823 14.846 -0.939 1.00 0.00 C ATOM 1729 CG LYS A 121 27.826 14.285 0.075 1.00 0.00 C ATOM 1730 CD LYS A 121 26.969 15.358 0.745 1.00 0.00 C ATOM 1731 CE LYS A 121 27.791 16.354 1.553 1.00 0.00 C ATOM 1732 NZ LYS A 121 26.929 17.350 2.242 1.00 0.00 N ATOM 0 H LYS A 121 26.599 14.919 -2.050 1.00 0.00 H new ATOM 0 HA LYS A 121 28.382 16.945 -1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 121 29.089 14.055 -1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 121 29.736 15.125 -0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 121 27.173 13.571 -0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 121 28.371 13.735 0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 121 26.405 15.894 -0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 121 26.242 14.878 1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 121 28.389 15.818 2.291 1.00 0.00 H new ATOM 0 HE3 LYS A 121 28.488 16.871 0.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 27.519 17.968 2.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 26.428 17.924 1.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 26.236 16.855 2.840 1.00 0.00 H new ATOM 1746 N MET A 122 29.011 15.421 -3.945 1.00 0.00 N ATOM 1747 CA MET A 122 29.781 15.464 -5.180 1.00 0.00 C ATOM 1748 C MET A 122 29.559 16.773 -5.941 1.00 0.00 C ATOM 1749 O MET A 122 30.436 17.232 -6.674 1.00 0.00 O ATOM 1750 CB MET A 122 29.402 14.263 -6.049 1.00 0.00 C ATOM 1751 CG MET A 122 30.130 14.194 -7.381 1.00 0.00 C ATOM 1752 SD MET A 122 29.716 12.706 -8.312 1.00 0.00 S ATOM 1753 CE MET A 122 27.929 12.836 -8.391 1.00 0.00 C ATOM 0 H MET A 122 28.306 14.684 -3.921 1.00 0.00 H new ATOM 0 HA MET A 122 30.841 15.417 -4.930 1.00 0.00 H new ATOM 0 HB2 MET A 122 29.604 13.349 -5.491 1.00 0.00 H new ATOM 0 HB3 MET A 122 28.329 14.291 -6.237 1.00 0.00 H new ATOM 0 HG2 MET A 122 29.880 15.073 -7.975 1.00 0.00 H new ATOM 0 HG3 MET A 122 31.206 14.223 -7.206 1.00 0.00 H new ATOM 0 HE1 MET A 122 27.570 12.366 -9.306 1.00 0.00 H new ATOM 0 HE2 MET A 122 27.489 12.335 -7.529 1.00 0.00 H new ATOM 0 HE3 MET A 122 27.640 13.887 -8.386 1.00 0.00 H new ATOM 1763 N LEU A 123 28.391 17.376 -5.759 1.00 0.00 N ATOM 1764 CA LEU A 123 28.056 18.616 -6.450 1.00 0.00 C ATOM 1765 C LEU A 123 28.392 19.840 -5.598 1.00 0.00 C ATOM 1766 O LEU A 123 28.011 20.963 -5.935 1.00 0.00 O ATOM 1767 CB LEU A 123 26.573 18.628 -6.830 1.00 0.00 C ATOM 1768 CG LEU A 123 26.149 17.544 -7.824 1.00 0.00 C ATOM 1769 CD1 LEU A 123 24.639 17.513 -7.973 1.00 0.00 C ATOM 1770 CD2 LEU A 123 26.812 17.772 -9.174 1.00 0.00 C ATOM 0 H LEU A 123 27.660 17.027 -5.139 1.00 0.00 H new ATOM 0 HA LEU A 123 28.658 18.664 -7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 123 25.980 18.518 -5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 123 26.330 19.603 -7.253 1.00 0.00 H new ATOM 0 HG LEU A 123 26.474 16.579 -7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 123 24.359 16.736 -8.684 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.182 17.302 -7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 123 24.289 18.479 -8.336 1.00 0.00 H new ATOM 0 HD21 LEU A 123 26.500 16.992 -9.869 1.00 0.00 H new ATOM 0 HD22 LEU A 123 26.517 18.746 -9.565 1.00 0.00 H new ATOM 0 HD23 LEU A 123 27.895 17.741 -9.057 1.00 0.00 H new ATOM 1782 N SER A 124 29.115 19.631 -4.504 1.00 0.00 N ATOM 1783 CA SER A 124 29.516 20.737 -3.647 1.00 0.00 C ATOM 1784 C SER A 124 31.025 20.754 -3.453 1.00 0.00 C ATOM 1785 O SER A 124 31.700 21.716 -3.826 1.00 0.00 O ATOM 1786 CB SER A 124 28.797 20.660 -2.296 1.00 0.00 C ATOM 1787 OG SER A 124 28.802 19.342 -1.776 1.00 0.00 O ATOM 0 H SER A 124 29.433 18.713 -4.192 1.00 0.00 H new ATOM 0 HA SER A 124 29.228 21.667 -4.137 1.00 0.00 H new ATOM 0 HB2 SER A 124 29.280 21.333 -1.587 1.00 0.00 H new ATOM 0 HB3 SER A 124 27.769 21.002 -2.411 1.00 0.00 H new ATOM 0 HG SER A 124 28.139 18.800 -2.253 1.00 0.00 H new ATOM 1793 N ALA A 125 31.552 19.685 -2.882 1.00 0.00 N ATOM 1794 CA ALA A 125 32.979 19.567 -2.660 1.00 0.00 C ATOM 1795 C ALA A 125 33.387 18.108 -2.596 1.00 0.00 C ATOM 1796 O ALA A 125 33.096 17.409 -1.623 1.00 0.00 O ATOM 1797 CB ALA A 125 33.388 20.286 -1.388 1.00 0.00 C ATOM 0 H ALA A 125 31.008 18.883 -2.563 1.00 0.00 H new ATOM 0 HA ALA A 125 33.493 20.036 -3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 125 34.463 20.184 -1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 125 33.132 21.342 -1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 125 32.863 19.849 -0.538 1.00 0.00 H new