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 86 TYR OH : rot 174:sc= -0.0265 USER MOD Set 1.2: A 124 SER OG : rot -90:sc= 1.9 USER MOD Set 2.1: A 117 MET CE :methyl 149:sc= -1.87! (180deg=-4.2!) USER MOD Set 2.2: A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 67 ASN : amide:sc= -0.233 K(o=-0.23,f=-4.8!) USER MOD Set 3.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 46 SER OG : rot -123:sc= 1.26 USER MOD Set 4.2: A 50 GLN : amide:sc= 1.29 K(o=2.6,f=0.32) USER MOD Set 5.1: A 40 MET CE :methyl -147:sc= -0.115 (180deg=-0.69) USER MOD Set 5.2: A 43 MET CE :methyl 152:sc= -0.237 (180deg=-1.11) USER MOD Set 6.1: A 36 GLN : amide:sc= 1.31 K(o=1.7,f=-4!) USER MOD Set 6.2: A 81 SER OG : rot 80:sc= 0.346 USER MOD Set 7.1: A 16 MET CE :methyl 167:sc= -6.86! (180deg=-6.99!) USER MOD Set 7.2: A 19 THR OG1 : rot 76:sc= 0.418 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 11 ASN : amide:sc= -0.932 X(o=-0.93,f=-1.2) USER MOD Single : A 13 ASN : amide:sc=-0.00315 X(o=-0.0031,f=0) USER MOD Single : A 17 THR OG1 : rot 61:sc= 1.26 USER MOD Single : A 18 MET CE :methyl 177:sc= 0 (180deg=-0.00465) USER MOD Single : A 20 ASN : amide:sc= 1.07 K(o=1.1,f=-0.041) USER MOD Single : A 21 ASN : amide:sc= -0.0166 K(o=-0.017,f=-1.6) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.782 F(o=-1.8!,f=-0.78) USER MOD Single : A 27 SER OG : rot 65:sc= 1.29 USER MOD Single : A 29 SER OG : rot -104:sc= 1.04 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.709 USER MOD Single : A 37 MET CE :methyl 166:sc= -0.153 (180deg=-0.615) USER MOD Single : A 42 MET CE :methyl 155:sc= -0.151 (180deg=-0.976) USER MOD Single : A 48 ASN : amide:sc= -1.39 K(o=-1.4,f=-3.4!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -155:sc= -2.62! (180deg=-3.34!) USER MOD Single : A 52 GLN : amide:sc= 0.0223 X(o=0.022,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -169:sc= -0.41 (180deg=-0.764) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.701 K(o=-0.7,f=-7.7!) USER MOD Single : A 61 HIS :FLIP no HD1:sc= -0.578 F(o=-1.1,f=-0.58) USER MOD Single : A 66 MET CE :methyl -167:sc= -0.0319 (180deg=-0.255) USER MOD Single : A 70 MET CE :methyl 179:sc= -0.0603 (180deg=-0.0621) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0701 K(o=-0.07,f=-0.63) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.94 K(o=0.94,f=0) USER MOD Single : A 92 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A 100 SER OG : rot 80:sc= 1.23 USER MOD Single : A 101 MET CE :methyl -158:sc= -0.177 (180deg=-0.691) USER MOD Single : A 102 MET CE :methyl 152:sc= -0.274 (180deg=-1.02) USER MOD Single : A 103 GLN : amide:sc= -1.77 X(o=-1.8,f=-2.1!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 28:sc= 0.553 USER MOD Single : A 110 ASN :FLIP amide:sc=-0.00743 F(o=-3.3!,f=-0.0074) USER MOD Single : A 113 THR OG1 : rot 149:sc= 1.4 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 MET CE :methyl 150:sc= -1.25 (180deg=-1.9) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 8 8.111 8.408 -3.832 1.00 0.00 N ATOM 82 CA ILE A 8 7.686 9.579 -3.035 1.00 0.00 C ATOM 83 C ILE A 8 7.298 10.802 -3.887 1.00 0.00 C ATOM 84 O ILE A 8 6.567 11.673 -3.416 1.00 0.00 O ATOM 85 CB ILE A 8 8.717 9.981 -1.936 1.00 0.00 C ATOM 86 CG1 ILE A 8 8.009 10.718 -0.801 1.00 0.00 C ATOM 87 CG2 ILE A 8 9.828 10.866 -2.487 1.00 0.00 C ATOM 88 CD1 ILE A 8 8.854 10.862 0.441 1.00 0.00 C ATOM 0 HA ILE A 8 6.780 9.241 -2.531 1.00 0.00 H new ATOM 0 HB ILE A 8 9.169 9.060 -1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.716 11.709 -1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.093 10.185 -0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.522 11.120 -1.686 1.00 0.00 H new ATOM 0 HG22 ILE A 8 10.362 10.333 -3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.396 11.779 -2.897 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.289 11.395 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 8 9.126 9.874 0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 8 9.759 11.421 0.203 1.00 0.00 H new ATOM 100 N TRP A 9 7.750 10.859 -5.136 1.00 0.00 N ATOM 101 CA TRP A 9 7.360 11.941 -6.040 1.00 0.00 C ATOM 102 C TRP A 9 6.005 11.637 -6.674 1.00 0.00 C ATOM 103 O TRP A 9 5.607 12.265 -7.651 1.00 0.00 O ATOM 104 CB TRP A 9 8.413 12.143 -7.135 1.00 0.00 C ATOM 105 CG TRP A 9 9.784 12.439 -6.606 1.00 0.00 C ATOM 106 CD1 TRP A 9 10.824 11.566 -6.512 1.00 0.00 C ATOM 107 CD2 TRP A 9 10.265 13.692 -6.107 1.00 0.00 C ATOM 108 NE1 TRP A 9 11.922 12.192 -5.969 1.00 0.00 N ATOM 109 CE2 TRP A 9 11.603 13.502 -5.719 1.00 0.00 C ATOM 110 CE3 TRP A 9 9.692 14.958 -5.953 1.00 0.00 C ATOM 111 CZ2 TRP A 9 12.377 14.529 -5.184 1.00 0.00 C ATOM 112 CZ3 TRP A 9 10.461 15.976 -5.420 1.00 0.00 C ATOM 113 CH2 TRP A 9 11.789 15.758 -5.043 1.00 0.00 C ATOM 0 H TRP A 9 8.384 10.173 -5.546 1.00 0.00 H new ATOM 0 HA TRP A 9 7.285 12.859 -5.458 1.00 0.00 H new ATOM 0 HB2 TRP A 9 8.458 11.247 -7.753 1.00 0.00 H new ATOM 0 HB3 TRP A 9 8.099 12.962 -7.782 1.00 0.00 H new ATOM 0 HD1 TRP A 9 10.792 10.531 -6.819 1.00 0.00 H new ATOM 0 HE1 TRP A 9 12.824 11.754 -5.783 1.00 0.00 H new ATOM 0 HE3 TRP A 9 8.668 15.137 -6.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 13.403 14.362 -4.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 10.028 16.957 -5.293 1.00 0.00 H new ATOM 0 HH2 TRP A 9 12.363 16.575 -4.632 1.00 0.00 H new ATOM 124 N THR A 10 5.307 10.667 -6.095 1.00 0.00 N ATOM 125 CA THR A 10 4.009 10.237 -6.586 1.00 0.00 C ATOM 126 C THR A 10 2.991 11.375 -6.528 1.00 0.00 C ATOM 127 O THR A 10 2.189 11.550 -7.448 1.00 0.00 O ATOM 128 CB THR A 10 3.488 9.052 -5.755 1.00 0.00 C ATOM 129 OG1 THR A 10 4.569 8.155 -5.465 1.00 0.00 O ATOM 130 CG2 THR A 10 2.398 8.303 -6.508 1.00 0.00 C ATOM 0 H THR A 10 5.628 10.158 -5.271 1.00 0.00 H new ATOM 0 HA THR A 10 4.135 9.931 -7.624 1.00 0.00 H new ATOM 0 HB THR A 10 3.069 9.439 -4.826 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.236 7.402 -4.934 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.044 7.469 -5.902 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.568 8.979 -6.715 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.800 7.924 -7.448 1.00 0.00 H new ATOM 138 N ASN A 11 3.028 12.140 -5.445 1.00 0.00 N ATOM 139 CA ASN A 11 2.117 13.251 -5.271 1.00 0.00 C ATOM 140 C ASN A 11 2.812 14.394 -4.535 1.00 0.00 C ATOM 141 O ASN A 11 3.612 14.162 -3.625 1.00 0.00 O ATOM 142 CB ASN A 11 0.856 12.797 -4.526 1.00 0.00 C ATOM 143 CG ASN A 11 1.103 12.409 -3.081 1.00 0.00 C ATOM 144 OD1 ASN A 11 1.511 11.286 -2.790 1.00 0.00 O ATOM 145 ND2 ASN A 11 0.807 13.319 -2.164 1.00 0.00 N ATOM 0 H ASN A 11 3.683 12.007 -4.675 1.00 0.00 H new ATOM 0 HA ASN A 11 1.813 13.616 -6.252 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.119 13.600 -4.556 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.422 11.946 -5.051 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.915 13.099 -1.174 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.471 14.239 -2.448 1.00 0.00 H new ATOM 152 N PRO A 12 2.533 15.639 -4.958 1.00 0.00 N ATOM 153 CA PRO A 12 3.124 16.856 -4.388 1.00 0.00 C ATOM 154 C PRO A 12 3.231 16.848 -2.863 1.00 0.00 C ATOM 155 O PRO A 12 4.300 17.110 -2.308 1.00 0.00 O ATOM 156 CB PRO A 12 2.152 17.944 -4.837 1.00 0.00 C ATOM 157 CG PRO A 12 1.619 17.461 -6.141 1.00 0.00 C ATOM 158 CD PRO A 12 1.624 15.953 -6.076 1.00 0.00 C ATOM 0 HA PRO A 12 4.153 16.985 -4.723 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.352 18.085 -4.110 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.656 18.904 -4.947 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.611 17.838 -6.311 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.236 17.815 -6.967 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.623 15.559 -5.898 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.977 15.516 -7.010 1.00 0.00 H new ATOM 166 N ASN A 13 2.123 16.541 -2.196 1.00 0.00 N ATOM 167 CA ASN A 13 2.060 16.594 -0.735 1.00 0.00 C ATOM 168 C ASN A 13 3.069 15.643 -0.095 1.00 0.00 C ATOM 169 O ASN A 13 3.669 15.960 0.927 1.00 0.00 O ATOM 170 CB ASN A 13 0.645 16.254 -0.253 1.00 0.00 C ATOM 171 CG ASN A 13 0.469 16.448 1.243 1.00 0.00 C ATOM 172 OD1 ASN A 13 0.136 17.542 1.699 1.00 0.00 O ATOM 173 ND2 ASN A 13 0.670 15.388 2.015 1.00 0.00 N ATOM 0 H ASN A 13 1.253 16.252 -2.643 1.00 0.00 H new ATOM 0 HA ASN A 13 2.313 17.609 -0.430 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.074 16.879 -0.783 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.418 15.219 -0.510 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.549 15.462 3.025 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.945 14.499 1.598 1.00 0.00 H new ATOM 180 N ALA A 14 3.268 14.491 -0.716 1.00 0.00 N ATOM 181 CA ALA A 14 4.149 13.469 -0.170 1.00 0.00 C ATOM 182 C ALA A 14 5.602 13.920 -0.201 1.00 0.00 C ATOM 183 O ALA A 14 6.314 13.848 0.801 1.00 0.00 O ATOM 184 CB ALA A 14 3.983 12.173 -0.948 1.00 0.00 C ATOM 0 H ALA A 14 2.830 14.239 -1.602 1.00 0.00 H new ATOM 0 HA ALA A 14 3.873 13.301 0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.645 11.413 -0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.950 11.834 -0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.235 12.342 -1.995 1.00 0.00 H new ATOM 190 N ALA A 15 6.024 14.413 -1.354 1.00 0.00 N ATOM 191 CA ALA A 15 7.411 14.797 -1.569 1.00 0.00 C ATOM 192 C ALA A 15 7.749 16.098 -0.859 1.00 0.00 C ATOM 193 O ALA A 15 8.805 16.214 -0.242 1.00 0.00 O ATOM 194 CB ALA A 15 7.692 14.915 -3.057 1.00 0.00 C ATOM 0 H ALA A 15 5.420 14.558 -2.163 1.00 0.00 H new ATOM 0 HA ALA A 15 8.045 14.019 -1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.732 15.203 -3.209 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.507 13.955 -3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.039 15.672 -3.492 1.00 0.00 H new ATOM 200 N MET A 16 6.853 17.071 -0.932 1.00 0.00 N ATOM 201 CA MET A 16 7.096 18.365 -0.317 1.00 0.00 C ATOM 202 C MET A 16 7.273 18.230 1.189 1.00 0.00 C ATOM 203 O MET A 16 8.003 19.007 1.809 1.00 0.00 O ATOM 204 CB MET A 16 5.957 19.331 -0.626 1.00 0.00 C ATOM 205 CG MET A 16 6.343 20.476 -1.549 1.00 0.00 C ATOM 206 SD MET A 16 7.673 21.522 -0.905 1.00 0.00 S ATOM 207 CE MET A 16 9.118 20.789 -1.677 1.00 0.00 C ATOM 0 H MET A 16 5.955 16.989 -1.409 1.00 0.00 H new ATOM 0 HA MET A 16 8.019 18.765 -0.737 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.137 18.775 -1.079 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.582 19.745 0.310 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.650 20.066 -2.511 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.464 21.094 -1.732 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.971 21.458 -1.561 1.00 0.00 H new ATOM 0 HE2 MET A 16 9.339 19.833 -1.202 1.00 0.00 H new ATOM 0 HE3 MET A 16 8.923 20.630 -2.738 1.00 0.00 H new ATOM 217 N THR A 17 6.621 17.229 1.764 1.00 0.00 N ATOM 218 CA THR A 17 6.718 16.972 3.190 1.00 0.00 C ATOM 219 C THR A 17 8.163 16.696 3.606 1.00 0.00 C ATOM 220 O THR A 17 8.683 17.341 4.518 1.00 0.00 O ATOM 221 CB THR A 17 5.806 15.798 3.598 1.00 0.00 C ATOM 222 OG1 THR A 17 4.433 16.169 3.408 1.00 0.00 O ATOM 223 CG2 THR A 17 6.028 15.398 5.051 1.00 0.00 C ATOM 0 H THR A 17 6.017 16.580 1.260 1.00 0.00 H new ATOM 0 HA THR A 17 6.382 17.868 3.711 1.00 0.00 H new ATOM 0 HB THR A 17 6.054 14.943 2.969 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.276 16.369 2.462 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.369 14.568 5.305 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.065 15.093 5.190 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.809 16.246 5.699 1.00 0.00 H new ATOM 231 N MET A 18 8.829 15.776 2.917 1.00 0.00 N ATOM 232 CA MET A 18 10.193 15.414 3.288 1.00 0.00 C ATOM 233 C MET A 18 11.170 16.542 2.972 1.00 0.00 C ATOM 234 O MET A 18 12.196 16.683 3.631 1.00 0.00 O ATOM 235 CB MET A 18 10.633 14.087 2.640 1.00 0.00 C ATOM 236 CG MET A 18 10.497 14.007 1.127 1.00 0.00 C ATOM 237 SD MET A 18 11.748 14.948 0.234 1.00 0.00 S ATOM 238 CE MET A 18 11.443 14.376 -1.436 1.00 0.00 C ATOM 0 H MET A 18 8.455 15.274 2.112 1.00 0.00 H new ATOM 0 HA MET A 18 10.204 15.259 4.367 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.676 13.906 2.901 1.00 0.00 H new ATOM 0 HB3 MET A 18 10.049 13.279 3.081 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.554 12.962 0.821 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.510 14.369 0.841 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.101 14.903 -2.127 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.638 13.305 -1.495 1.00 0.00 H new ATOM 0 HE3 MET A 18 10.405 14.571 -1.704 1.00 0.00 H new ATOM 248 N THR A 19 10.836 17.363 1.985 1.00 0.00 N ATOM 249 CA THR A 19 11.663 18.511 1.655 1.00 0.00 C ATOM 250 C THR A 19 11.600 19.566 2.765 1.00 0.00 C ATOM 251 O THR A 19 12.625 20.103 3.184 1.00 0.00 O ATOM 252 CB THR A 19 11.215 19.140 0.331 1.00 0.00 C ATOM 253 OG1 THR A 19 10.977 18.114 -0.642 1.00 0.00 O ATOM 254 CG2 THR A 19 12.268 20.100 -0.198 1.00 0.00 C ATOM 0 H THR A 19 10.004 17.255 1.404 1.00 0.00 H new ATOM 0 HA THR A 19 12.690 18.160 1.555 1.00 0.00 H new ATOM 0 HB THR A 19 10.295 19.695 0.514 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.128 17.666 -0.444 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.926 20.533 -1.138 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.433 20.895 0.529 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.201 19.561 -0.365 1.00 0.00 H new ATOM 262 N ASN A 20 10.391 19.845 3.250 1.00 0.00 N ATOM 263 CA ASN A 20 10.200 20.833 4.309 1.00 0.00 C ATOM 264 C ASN A 20 10.789 20.342 5.624 1.00 0.00 C ATOM 265 O ASN A 20 11.414 21.108 6.362 1.00 0.00 O ATOM 266 CB ASN A 20 8.715 21.159 4.495 1.00 0.00 C ATOM 267 CG ASN A 20 8.204 22.163 3.477 1.00 0.00 C ATOM 268 OD1 ASN A 20 8.259 23.372 3.697 1.00 0.00 O ATOM 269 ND2 ASN A 20 7.695 21.671 2.361 1.00 0.00 N ATOM 0 H ASN A 20 9.531 19.402 2.927 1.00 0.00 H new ATOM 0 HA ASN A 20 10.722 21.741 4.008 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.133 20.241 4.417 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.557 21.553 5.499 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.330 22.300 1.646 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.667 20.662 2.215 1.00 0.00 H new ATOM 276 N ASN A 21 10.596 19.062 5.915 1.00 0.00 N ATOM 277 CA ASN A 21 11.134 18.461 7.127 1.00 0.00 C ATOM 278 C ASN A 21 12.660 18.484 7.122 1.00 0.00 C ATOM 279 O ASN A 21 13.293 18.573 8.175 1.00 0.00 O ATOM 280 CB ASN A 21 10.626 17.027 7.278 1.00 0.00 C ATOM 281 CG ASN A 21 9.157 16.958 7.649 1.00 0.00 C ATOM 282 OD1 ASN A 21 8.379 17.867 7.357 1.00 0.00 O ATOM 283 ND2 ASN A 21 8.761 15.872 8.286 1.00 0.00 N ATOM 0 H ASN A 21 10.069 18.418 5.325 1.00 0.00 H new ATOM 0 HA ASN A 21 10.790 19.050 7.977 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.785 16.490 6.343 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.213 16.517 8.042 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.782 15.766 8.553 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.434 15.139 8.511 1.00 0.00 H new ATOM 290 N LEU A 22 13.244 18.421 5.932 1.00 0.00 N ATOM 291 CA LEU A 22 14.689 18.501 5.780 1.00 0.00 C ATOM 292 C LEU A 22 15.182 19.863 6.246 1.00 0.00 C ATOM 293 O LEU A 22 16.123 19.964 7.035 1.00 0.00 O ATOM 294 CB LEU A 22 15.082 18.281 4.317 1.00 0.00 C ATOM 295 CG LEU A 22 16.573 18.438 4.009 1.00 0.00 C ATOM 296 CD1 LEU A 22 17.383 17.341 4.685 1.00 0.00 C ATOM 297 CD2 LEU A 22 16.806 18.436 2.506 1.00 0.00 C ATOM 0 H LEU A 22 12.735 18.314 5.055 1.00 0.00 H new ATOM 0 HA LEU A 22 15.150 17.723 6.389 1.00 0.00 H new ATOM 0 HB2 LEU A 22 14.770 17.279 4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.524 18.984 3.699 1.00 0.00 H new ATOM 0 HG LEU A 22 16.908 19.396 4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.440 17.473 4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 22 17.240 17.395 5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.050 16.368 4.324 1.00 0.00 H new ATOM 0 HD21 LEU A 22 17.871 18.548 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.454 17.495 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.261 19.263 2.052 1.00 0.00 H new ATOM 309 N VAL A 23 14.522 20.907 5.758 1.00 0.00 N ATOM 310 CA VAL A 23 14.881 22.277 6.099 1.00 0.00 C ATOM 311 C VAL A 23 14.750 22.526 7.599 1.00 0.00 C ATOM 312 O VAL A 23 15.667 23.057 8.226 1.00 0.00 O ATOM 313 CB VAL A 23 14.002 23.292 5.335 1.00 0.00 C ATOM 314 CG1 VAL A 23 14.386 24.721 5.688 1.00 0.00 C ATOM 315 CG2 VAL A 23 14.107 23.066 3.835 1.00 0.00 C ATOM 0 H VAL A 23 13.730 20.829 5.120 1.00 0.00 H new ATOM 0 HA VAL A 23 15.922 22.416 5.805 1.00 0.00 H new ATOM 0 HB VAL A 23 12.966 23.136 5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.752 25.415 5.136 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.253 24.880 6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.429 24.894 5.423 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.481 23.790 3.313 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.143 23.189 3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.772 22.057 3.595 1.00 0.00 H new ATOM 325 N GLN A 24 13.622 22.116 8.177 1.00 0.00 N ATOM 326 CA GLN A 24 13.361 22.374 9.594 1.00 0.00 C ATOM 327 C GLN A 24 14.352 21.615 10.476 1.00 0.00 C ATOM 328 O GLN A 24 14.784 22.116 11.513 1.00 0.00 O ATOM 329 CB GLN A 24 11.919 22.000 9.961 1.00 0.00 C ATOM 330 CG GLN A 24 11.640 20.511 9.957 1.00 0.00 C ATOM 331 CD GLN A 24 10.207 20.191 10.325 1.00 0.00 C ATOM 332 OE1 GLN A 24 9.326 20.197 9.340 1.00 0.00 O flip ATOM 333 NE2 GLN A 24 9.890 19.957 11.491 1.00 0.00 N flip ATOM 0 H GLN A 24 12.881 21.609 7.693 1.00 0.00 H new ATOM 0 HA GLN A 24 13.493 23.441 9.771 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.694 22.397 10.951 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.240 22.487 9.260 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.857 20.106 8.969 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.312 20.016 10.659 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.600 19.962 12.223 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.917 19.758 11.725 1.00 0.00 H new ATOM 342 N CYS A 25 14.724 20.418 10.041 1.00 0.00 N ATOM 343 CA CYS A 25 15.687 19.605 10.769 1.00 0.00 C ATOM 344 C CYS A 25 17.061 20.263 10.733 1.00 0.00 C ATOM 345 O CYS A 25 17.729 20.391 11.759 1.00 0.00 O ATOM 346 CB CYS A 25 15.753 18.197 10.163 1.00 0.00 C ATOM 347 SG CYS A 25 16.931 17.072 10.982 1.00 0.00 S ATOM 0 H CYS A 25 14.372 19.989 9.185 1.00 0.00 H new ATOM 0 HA CYS A 25 15.367 19.523 11.808 1.00 0.00 H new ATOM 0 HB2 CYS A 25 14.759 17.752 10.202 1.00 0.00 H new ATOM 0 HB3 CYS A 25 16.023 18.281 9.110 1.00 0.00 H new ATOM 352 N ALA A 26 17.461 20.716 9.549 1.00 0.00 N ATOM 353 CA ALA A 26 18.775 21.315 9.364 1.00 0.00 C ATOM 354 C ALA A 26 18.870 22.688 10.025 1.00 0.00 C ATOM 355 O ALA A 26 19.965 23.155 10.337 1.00 0.00 O ATOM 356 CB ALA A 26 19.103 21.410 7.883 1.00 0.00 C ATOM 0 H ALA A 26 16.892 20.679 8.703 1.00 0.00 H new ATOM 0 HA ALA A 26 19.507 20.670 9.850 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.088 21.859 7.757 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.101 20.412 7.445 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.356 22.027 7.384 1.00 0.00 H new ATOM 362 N SER A 27 17.731 23.329 10.249 1.00 0.00 N ATOM 363 CA SER A 27 17.712 24.639 10.886 1.00 0.00 C ATOM 364 C SER A 27 18.002 24.514 12.379 1.00 0.00 C ATOM 365 O SER A 27 18.580 25.413 12.989 1.00 0.00 O ATOM 366 CB SER A 27 16.360 25.318 10.667 1.00 0.00 C ATOM 367 OG SER A 27 16.083 25.473 9.284 1.00 0.00 O ATOM 0 H SER A 27 16.811 22.965 10.000 1.00 0.00 H new ATOM 0 HA SER A 27 18.490 25.252 10.432 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.573 24.726 11.134 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.357 26.294 11.153 1.00 0.00 H new ATOM 0 HG SER A 27 15.993 24.590 8.868 1.00 0.00 H new ATOM 373 N ARG A 28 17.626 23.380 12.955 1.00 0.00 N ATOM 374 CA ARG A 28 17.803 23.150 14.380 1.00 0.00 C ATOM 375 C ARG A 28 18.986 22.236 14.651 1.00 0.00 C ATOM 376 O ARG A 28 19.135 21.701 15.748 1.00 0.00 O ATOM 377 CB ARG A 28 16.543 22.570 14.980 1.00 0.00 C ATOM 378 CG ARG A 28 15.540 23.641 15.335 1.00 0.00 C ATOM 379 CD ARG A 28 14.285 23.029 15.887 1.00 0.00 C ATOM 380 NE ARG A 28 13.378 24.028 16.449 1.00 0.00 N ATOM 381 CZ ARG A 28 12.086 24.132 16.138 1.00 0.00 C ATOM 382 NH1 ARG A 28 11.559 23.357 15.196 1.00 0.00 N ATOM 383 NH2 ARG A 28 11.325 25.027 16.755 1.00 0.00 N ATOM 0 H ARG A 28 17.195 22.603 12.454 1.00 0.00 H new ATOM 0 HA ARG A 28 18.009 24.112 14.850 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.093 21.872 14.274 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.796 22.000 15.874 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.972 24.322 16.068 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.304 24.233 14.451 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.773 22.481 15.096 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.546 22.305 16.658 1.00 0.00 H new ATOM 0 HE ARG A 28 13.759 24.690 17.125 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.144 22.679 14.707 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.570 23.440 14.962 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.729 25.635 17.467 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.336 25.107 16.517 1.00 0.00 H new ATOM 397 N SER A 29 19.825 22.066 13.644 1.00 0.00 N ATOM 398 CA SER A 29 20.993 21.212 13.765 1.00 0.00 C ATOM 399 C SER A 29 22.035 21.854 14.671 1.00 0.00 C ATOM 400 O SER A 29 22.570 21.223 15.583 1.00 0.00 O ATOM 401 CB SER A 29 21.595 20.955 12.384 1.00 0.00 C ATOM 402 OG SER A 29 21.969 22.173 11.751 1.00 0.00 O ATOM 0 H SER A 29 19.718 22.509 12.732 1.00 0.00 H new ATOM 0 HA SER A 29 20.685 20.264 14.206 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.468 20.309 12.479 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.873 20.426 11.762 1.00 0.00 H new ATOM 0 HG SER A 29 21.308 22.401 11.065 1.00 0.00 H new ATOM 408 N GLY A 30 22.318 23.118 14.400 1.00 0.00 N ATOM 409 CA GLY A 30 23.341 23.832 15.126 1.00 0.00 C ATOM 410 C GLY A 30 24.629 23.852 14.341 1.00 0.00 C ATOM 411 O GLY A 30 25.613 24.475 14.746 1.00 0.00 O ATOM 0 H GLY A 30 21.849 23.667 13.679 1.00 0.00 H new ATOM 0 HA2 GLY A 30 23.011 24.852 15.322 1.00 0.00 H new ATOM 0 HA3 GLY A 30 23.506 23.359 16.094 1.00 0.00 H new ATOM 415 N VAL A 31 24.614 23.176 13.198 1.00 0.00 N ATOM 416 CA VAL A 31 25.797 23.057 12.371 1.00 0.00 C ATOM 417 C VAL A 31 25.693 23.951 11.134 1.00 0.00 C ATOM 418 O VAL A 31 26.700 24.450 10.635 1.00 0.00 O ATOM 419 CB VAL A 31 26.043 21.585 11.965 1.00 0.00 C ATOM 420 CG1 VAL A 31 25.142 21.147 10.822 1.00 0.00 C ATOM 421 CG2 VAL A 31 27.505 21.369 11.617 1.00 0.00 C ATOM 0 H VAL A 31 23.790 22.703 12.827 1.00 0.00 H new ATOM 0 HA VAL A 31 26.651 23.393 12.959 1.00 0.00 H new ATOM 0 HB VAL A 31 25.791 20.962 12.823 1.00 0.00 H new ATOM 0 HG11 VAL A 31 25.351 20.107 10.572 1.00 0.00 H new ATOM 0 HG12 VAL A 31 24.099 21.245 11.123 1.00 0.00 H new ATOM 0 HG13 VAL A 31 25.329 21.774 9.950 1.00 0.00 H new ATOM 0 HG21 VAL A 31 27.662 20.328 11.333 1.00 0.00 H new ATOM 0 HG22 VAL A 31 27.781 22.017 10.785 1.00 0.00 H new ATOM 0 HG23 VAL A 31 28.124 21.606 12.482 1.00 0.00 H new ATOM 431 N LEU A 32 24.471 24.165 10.654 1.00 0.00 N ATOM 432 CA LEU A 32 24.247 25.086 9.549 1.00 0.00 C ATOM 433 C LEU A 32 24.328 26.518 10.049 1.00 0.00 C ATOM 434 O LEU A 32 23.865 26.824 11.152 1.00 0.00 O ATOM 435 CB LEU A 32 22.885 24.854 8.885 1.00 0.00 C ATOM 436 CG LEU A 32 22.869 23.848 7.731 1.00 0.00 C ATOM 437 CD1 LEU A 32 23.060 22.428 8.233 1.00 0.00 C ATOM 438 CD2 LEU A 32 21.573 23.969 6.947 1.00 0.00 C ATOM 0 H LEU A 32 23.628 23.716 11.011 1.00 0.00 H new ATOM 0 HA LEU A 32 25.022 24.905 8.804 1.00 0.00 H new ATOM 0 HB2 LEU A 32 22.183 24.515 9.647 1.00 0.00 H new ATOM 0 HB3 LEU A 32 22.515 25.810 8.514 1.00 0.00 H new ATOM 0 HG LEU A 32 23.704 24.079 7.069 1.00 0.00 H new ATOM 0 HD11 LEU A 32 23.044 21.738 7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 32 24.018 22.350 8.747 1.00 0.00 H new ATOM 0 HD13 LEU A 32 22.256 22.175 8.924 1.00 0.00 H new ATOM 0 HD21 LEU A 32 21.574 23.248 6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 32 20.729 23.768 7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 32 21.485 24.977 6.542 1.00 0.00 H new ATOM 450 N THR A 33 24.924 27.385 9.247 1.00 0.00 N ATOM 451 CA THR A 33 25.049 28.786 9.604 1.00 0.00 C ATOM 452 C THR A 33 23.706 29.493 9.466 1.00 0.00 C ATOM 453 O THR A 33 22.759 28.940 8.898 1.00 0.00 O ATOM 454 CB THR A 33 26.095 29.497 8.719 1.00 0.00 C ATOM 455 OG1 THR A 33 25.611 29.624 7.375 1.00 0.00 O ATOM 456 CG2 THR A 33 27.401 28.723 8.702 1.00 0.00 C ATOM 0 H THR A 33 25.329 27.141 8.343 1.00 0.00 H new ATOM 0 HA THR A 33 25.379 28.833 10.642 1.00 0.00 H new ATOM 0 HB THR A 33 26.269 30.487 9.140 1.00 0.00 H new ATOM 0 HG1 THR A 33 26.284 30.078 6.826 1.00 0.00 H new ATOM 0 HG21 THR A 33 28.123 29.242 8.072 1.00 0.00 H new ATOM 0 HG22 THR A 33 27.792 28.647 9.717 1.00 0.00 H new ATOM 0 HG23 THR A 33 27.226 27.723 8.305 1.00 0.00 H new ATOM 464 N ALA A 34 23.625 30.714 9.981 1.00 0.00 N ATOM 465 CA ALA A 34 22.413 31.512 9.867 1.00 0.00 C ATOM 466 C ALA A 34 22.085 31.784 8.401 1.00 0.00 C ATOM 467 O ALA A 34 20.927 32.001 8.042 1.00 0.00 O ATOM 468 CB ALA A 34 22.566 32.813 10.632 1.00 0.00 C ATOM 0 H ALA A 34 24.386 31.173 10.482 1.00 0.00 H new ATOM 0 HA ALA A 34 21.586 30.951 10.302 1.00 0.00 H new ATOM 0 HB1 ALA A 34 21.652 33.400 10.538 1.00 0.00 H new ATOM 0 HB2 ALA A 34 22.752 32.597 11.684 1.00 0.00 H new ATOM 0 HB3 ALA A 34 23.404 33.378 10.224 1.00 0.00 H new ATOM 474 N ASP A 35 23.117 31.761 7.565 1.00 0.00 N ATOM 475 CA ASP A 35 22.945 31.911 6.127 1.00 0.00 C ATOM 476 C ASP A 35 22.414 30.614 5.542 1.00 0.00 C ATOM 477 O ASP A 35 21.351 30.581 4.926 1.00 0.00 O ATOM 478 CB ASP A 35 24.278 32.251 5.447 1.00 0.00 C ATOM 479 CG ASP A 35 24.924 33.507 5.987 1.00 0.00 C ATOM 480 OD1 ASP A 35 25.675 33.413 6.984 1.00 0.00 O ATOM 481 OD2 ASP A 35 24.696 34.593 5.417 1.00 0.00 O ATOM 0 H ASP A 35 24.085 31.639 7.861 1.00 0.00 H new ATOM 0 HA ASP A 35 22.241 32.724 5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 35 24.965 31.415 5.573 1.00 0.00 H new ATOM 0 HB3 ASP A 35 24.112 32.368 4.376 1.00 0.00 H new ATOM 486 N GLN A 36 23.158 29.539 5.786 1.00 0.00 N ATOM 487 CA GLN A 36 22.855 28.225 5.231 1.00 0.00 C ATOM 488 C GLN A 36 21.424 27.782 5.527 1.00 0.00 C ATOM 489 O GLN A 36 20.741 27.259 4.647 1.00 0.00 O ATOM 490 CB GLN A 36 23.839 27.192 5.773 1.00 0.00 C ATOM 491 CG GLN A 36 25.177 27.191 5.059 1.00 0.00 C ATOM 492 CD GLN A 36 26.154 26.216 5.680 1.00 0.00 C ATOM 493 OE1 GLN A 36 26.138 25.990 6.888 1.00 0.00 O ATOM 494 NE2 GLN A 36 26.989 25.615 4.852 1.00 0.00 N ATOM 0 H GLN A 36 23.990 29.555 6.376 1.00 0.00 H new ATOM 0 HA GLN A 36 22.954 28.302 4.148 1.00 0.00 H new ATOM 0 HB2 GLN A 36 24.003 27.381 6.834 1.00 0.00 H new ATOM 0 HB3 GLN A 36 23.393 26.201 5.692 1.00 0.00 H new ATOM 0 HG2 GLN A 36 25.027 26.935 4.010 1.00 0.00 H new ATOM 0 HG3 GLN A 36 25.602 28.195 5.085 1.00 0.00 H new ATOM 0 HE21 GLN A 36 26.966 25.834 3.856 1.00 0.00 H new ATOM 0 HE22 GLN A 36 27.657 24.931 5.208 1.00 0.00 H new ATOM 503 N MET A 37 20.970 28.001 6.754 1.00 0.00 N ATOM 504 CA MET A 37 19.634 27.563 7.156 1.00 0.00 C ATOM 505 C MET A 37 18.555 28.303 6.371 1.00 0.00 C ATOM 506 O MET A 37 17.489 27.754 6.098 1.00 0.00 O ATOM 507 CB MET A 37 19.422 27.770 8.658 1.00 0.00 C ATOM 508 CG MET A 37 19.487 29.224 9.099 1.00 0.00 C ATOM 509 SD MET A 37 19.169 29.438 10.861 1.00 0.00 S ATOM 510 CE MET A 37 20.492 28.458 11.569 1.00 0.00 C ATOM 0 H MET A 37 21.500 28.475 7.485 1.00 0.00 H new ATOM 0 HA MET A 37 19.555 26.499 6.934 1.00 0.00 H new ATOM 0 HB2 MET A 37 18.451 27.360 8.937 1.00 0.00 H new ATOM 0 HB3 MET A 37 20.177 27.202 9.202 1.00 0.00 H new ATOM 0 HG2 MET A 37 20.471 29.627 8.861 1.00 0.00 H new ATOM 0 HG3 MET A 37 18.760 29.804 8.531 1.00 0.00 H new ATOM 0 HE1 MET A 37 20.585 28.686 12.631 1.00 0.00 H new ATOM 0 HE2 MET A 37 20.267 27.399 11.444 1.00 0.00 H new ATOM 0 HE3 MET A 37 21.429 28.692 11.064 1.00 0.00 H new ATOM 520 N ASP A 38 18.852 29.536 5.986 1.00 0.00 N ATOM 521 CA ASP A 38 17.893 30.358 5.263 1.00 0.00 C ATOM 522 C ASP A 38 17.912 30.003 3.781 1.00 0.00 C ATOM 523 O ASP A 38 16.869 29.954 3.128 1.00 0.00 O ATOM 524 CB ASP A 38 18.211 31.839 5.463 1.00 0.00 C ATOM 525 CG ASP A 38 17.110 32.745 4.954 1.00 0.00 C ATOM 526 OD1 ASP A 38 16.162 33.022 5.720 1.00 0.00 O ATOM 527 OD2 ASP A 38 17.202 33.213 3.802 1.00 0.00 O ATOM 0 H ASP A 38 19.749 29.989 6.162 1.00 0.00 H new ATOM 0 HA ASP A 38 16.895 30.163 5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.374 32.032 6.523 1.00 0.00 H new ATOM 0 HB3 ASP A 38 19.141 32.080 4.949 1.00 0.00 H new ATOM 532 N ASP A 39 19.103 29.726 3.263 1.00 0.00 N ATOM 533 CA ASP A 39 19.256 29.324 1.865 1.00 0.00 C ATOM 534 C ASP A 39 18.581 27.981 1.611 1.00 0.00 C ATOM 535 O ASP A 39 18.168 27.682 0.489 1.00 0.00 O ATOM 536 CB ASP A 39 20.733 29.252 1.468 1.00 0.00 C ATOM 537 CG ASP A 39 21.361 30.622 1.293 1.00 0.00 C ATOM 538 OD1 ASP A 39 21.034 31.310 0.302 1.00 0.00 O ATOM 539 OD2 ASP A 39 22.195 31.013 2.135 1.00 0.00 O ATOM 0 H ASP A 39 19.977 29.772 3.787 1.00 0.00 H new ATOM 0 HA ASP A 39 18.772 30.082 1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 39 21.283 28.700 2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 39 20.828 28.692 0.538 1.00 0.00 H new ATOM 544 N MET A 40 18.462 27.179 2.664 1.00 0.00 N ATOM 545 CA MET A 40 17.728 25.918 2.594 1.00 0.00 C ATOM 546 C MET A 40 16.275 26.165 2.191 1.00 0.00 C ATOM 547 O MET A 40 15.646 25.329 1.538 1.00 0.00 O ATOM 548 CB MET A 40 17.770 25.198 3.946 1.00 0.00 C ATOM 549 CG MET A 40 19.142 24.657 4.320 1.00 0.00 C ATOM 550 SD MET A 40 19.592 23.170 3.403 1.00 0.00 S ATOM 551 CE MET A 40 18.421 21.988 4.072 1.00 0.00 C ATOM 0 H MET A 40 18.865 27.380 3.579 1.00 0.00 H new ATOM 0 HA MET A 40 18.204 25.290 1.841 1.00 0.00 H new ATOM 0 HB2 MET A 40 17.439 25.887 4.723 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.058 24.372 3.928 1.00 0.00 H new ATOM 0 HG2 MET A 40 19.891 25.428 4.140 1.00 0.00 H new ATOM 0 HG3 MET A 40 19.161 24.438 5.388 1.00 0.00 H new ATOM 0 HE1 MET A 40 18.878 20.999 4.100 1.00 0.00 H new ATOM 0 HE2 MET A 40 18.140 22.286 5.082 1.00 0.00 H new ATOM 0 HE3 MET A 40 17.532 21.959 3.441 1.00 0.00 H new ATOM 561 N GLY A 41 15.759 27.332 2.567 1.00 0.00 N ATOM 562 CA GLY A 41 14.383 27.676 2.269 1.00 0.00 C ATOM 563 C GLY A 41 14.134 27.851 0.783 1.00 0.00 C ATOM 564 O GLY A 41 13.194 27.273 0.235 1.00 0.00 O ATOM 0 H GLY A 41 16.275 28.049 3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.726 26.896 2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.122 28.598 2.788 1.00 0.00 H new ATOM 568 N MET A 42 14.984 28.632 0.121 1.00 0.00 N ATOM 569 CA MET A 42 14.828 28.880 -1.312 1.00 0.00 C ATOM 570 C MET A 42 15.043 27.595 -2.106 1.00 0.00 C ATOM 571 O MET A 42 14.469 27.411 -3.180 1.00 0.00 O ATOM 572 CB MET A 42 15.791 29.970 -1.791 1.00 0.00 C ATOM 573 CG MET A 42 17.254 29.579 -1.689 1.00 0.00 C ATOM 574 SD MET A 42 18.376 30.895 -2.200 1.00 0.00 S ATOM 575 CE MET A 42 17.972 32.168 -1.008 1.00 0.00 C ATOM 0 H MET A 42 15.782 29.101 0.549 1.00 0.00 H new ATOM 0 HA MET A 42 13.809 29.229 -1.482 1.00 0.00 H new ATOM 0 HB2 MET A 42 15.561 30.216 -2.828 1.00 0.00 H new ATOM 0 HB3 MET A 42 15.624 30.874 -1.205 1.00 0.00 H new ATOM 0 HG2 MET A 42 17.478 29.298 -0.660 1.00 0.00 H new ATOM 0 HG3 MET A 42 17.432 28.698 -2.306 1.00 0.00 H new ATOM 0 HE1 MET A 42 18.825 32.836 -0.886 1.00 0.00 H new ATOM 0 HE2 MET A 42 17.112 32.738 -1.361 1.00 0.00 H new ATOM 0 HE3 MET A 42 17.732 31.707 -0.050 1.00 0.00 H new ATOM 585 N MET A 43 15.856 26.698 -1.559 1.00 0.00 N ATOM 586 CA MET A 43 16.101 25.411 -2.187 1.00 0.00 C ATOM 587 C MET A 43 14.823 24.582 -2.191 1.00 0.00 C ATOM 588 O MET A 43 14.445 24.011 -3.211 1.00 0.00 O ATOM 589 CB MET A 43 17.205 24.669 -1.441 1.00 0.00 C ATOM 590 CG MET A 43 17.507 23.291 -2.002 1.00 0.00 C ATOM 591 SD MET A 43 18.523 22.302 -0.892 1.00 0.00 S ATOM 592 CE MET A 43 17.419 22.149 0.512 1.00 0.00 C ATOM 0 H MET A 43 16.356 26.841 -0.681 1.00 0.00 H new ATOM 0 HA MET A 43 16.419 25.573 -3.217 1.00 0.00 H new ATOM 0 HB2 MET A 43 18.115 25.269 -1.468 1.00 0.00 H new ATOM 0 HB3 MET A 43 16.919 24.570 -0.394 1.00 0.00 H new ATOM 0 HG2 MET A 43 16.571 22.768 -2.195 1.00 0.00 H new ATOM 0 HG3 MET A 43 18.017 23.396 -2.960 1.00 0.00 H new ATOM 0 HE1 MET A 43 17.634 21.223 1.045 1.00 0.00 H new ATOM 0 HE2 MET A 43 17.564 22.995 1.183 1.00 0.00 H new ATOM 0 HE3 MET A 43 16.386 22.136 0.163 1.00 0.00 H new ATOM 602 N ALA A 44 14.147 24.546 -1.046 1.00 0.00 N ATOM 603 CA ALA A 44 12.900 23.802 -0.912 1.00 0.00 C ATOM 604 C ALA A 44 11.849 24.326 -1.882 1.00 0.00 C ATOM 605 O ALA A 44 11.069 23.556 -2.447 1.00 0.00 O ATOM 606 CB ALA A 44 12.388 23.879 0.518 1.00 0.00 C ATOM 0 H ALA A 44 14.444 25.025 -0.196 1.00 0.00 H new ATOM 0 HA ALA A 44 13.098 22.758 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.457 23.319 0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.130 23.453 1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.210 24.921 0.785 1.00 0.00 H new ATOM 612 N ASP A 45 11.846 25.641 -2.080 1.00 0.00 N ATOM 613 CA ASP A 45 10.940 26.273 -3.033 1.00 0.00 C ATOM 614 C ASP A 45 11.240 25.804 -4.450 1.00 0.00 C ATOM 615 O ASP A 45 10.337 25.458 -5.208 1.00 0.00 O ATOM 616 CB ASP A 45 11.052 27.796 -2.955 1.00 0.00 C ATOM 617 CG ASP A 45 10.219 28.488 -4.012 1.00 0.00 C ATOM 618 OD1 ASP A 45 8.994 28.618 -3.820 1.00 0.00 O ATOM 619 OD2 ASP A 45 10.788 28.922 -5.036 1.00 0.00 O ATOM 0 H ASP A 45 12.462 26.291 -1.592 1.00 0.00 H new ATOM 0 HA ASP A 45 9.922 25.982 -2.774 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.734 28.131 -1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.096 28.088 -3.070 1.00 0.00 H new ATOM 624 N SER A 46 12.517 25.776 -4.792 1.00 0.00 N ATOM 625 CA SER A 46 12.945 25.314 -6.103 1.00 0.00 C ATOM 626 C SER A 46 12.540 23.853 -6.316 1.00 0.00 C ATOM 627 O SER A 46 12.135 23.463 -7.416 1.00 0.00 O ATOM 628 CB SER A 46 14.459 25.486 -6.242 1.00 0.00 C ATOM 629 OG SER A 46 14.913 25.091 -7.523 1.00 0.00 O ATOM 0 H SER A 46 13.278 26.068 -4.179 1.00 0.00 H new ATOM 0 HA SER A 46 12.453 25.913 -6.870 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.725 26.528 -6.067 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.965 24.895 -5.478 1.00 0.00 H new ATOM 0 HG SER A 46 15.592 24.391 -7.428 1.00 0.00 H new ATOM 635 N VAL A 47 12.626 23.055 -5.256 1.00 0.00 N ATOM 636 CA VAL A 47 12.246 21.648 -5.325 1.00 0.00 C ATOM 637 C VAL A 47 10.771 21.488 -5.685 1.00 0.00 C ATOM 638 O VAL A 47 10.432 20.754 -6.616 1.00 0.00 O ATOM 639 CB VAL A 47 12.527 20.905 -3.998 1.00 0.00 C ATOM 640 CG1 VAL A 47 12.070 19.454 -4.080 1.00 0.00 C ATOM 641 CG2 VAL A 47 14.006 20.975 -3.650 1.00 0.00 C ATOM 0 H VAL A 47 12.955 23.358 -4.340 1.00 0.00 H new ATOM 0 HA VAL A 47 12.860 21.204 -6.109 1.00 0.00 H new ATOM 0 HB VAL A 47 11.960 21.398 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.278 18.953 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.999 19.421 -4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.605 18.949 -4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 47 14.185 20.447 -2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.589 20.511 -4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.305 22.017 -3.542 1.00 0.00 H new ATOM 651 N ASN A 48 9.888 22.177 -4.964 1.00 0.00 N ATOM 652 CA ASN A 48 8.464 22.052 -5.225 1.00 0.00 C ATOM 653 C ASN A 48 8.095 22.680 -6.558 1.00 0.00 C ATOM 654 O ASN A 48 7.117 22.280 -7.174 1.00 0.00 O ATOM 655 CB ASN A 48 7.611 22.636 -4.090 1.00 0.00 C ATOM 656 CG ASN A 48 7.836 24.108 -3.811 1.00 0.00 C ATOM 657 OD1 ASN A 48 7.714 24.953 -4.694 1.00 0.00 O ATOM 658 ND2 ASN A 48 8.150 24.421 -2.563 1.00 0.00 N ATOM 0 H ASN A 48 10.132 22.816 -4.208 1.00 0.00 H new ATOM 0 HA ASN A 48 8.244 20.986 -5.275 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.559 22.484 -4.332 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.813 22.074 -3.178 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.301 25.396 -2.304 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.241 23.687 -1.861 1.00 0.00 H new ATOM 665 N SER A 49 8.877 23.651 -7.006 1.00 0.00 N ATOM 666 CA SER A 49 8.675 24.234 -8.322 1.00 0.00 C ATOM 667 C SER A 49 8.874 23.163 -9.397 1.00 0.00 C ATOM 668 O SER A 49 7.993 22.925 -10.226 1.00 0.00 O ATOM 669 CB SER A 49 9.640 25.406 -8.540 1.00 0.00 C ATOM 670 OG SER A 49 9.412 26.039 -9.787 1.00 0.00 O ATOM 0 H SER A 49 9.654 24.050 -6.479 1.00 0.00 H new ATOM 0 HA SER A 49 7.656 24.616 -8.391 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.521 26.131 -7.735 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.668 25.046 -8.496 1.00 0.00 H new ATOM 0 HG SER A 49 10.041 26.783 -9.896 1.00 0.00 H new ATOM 676 N GLN A 50 10.018 22.492 -9.344 1.00 0.00 N ATOM 677 CA GLN A 50 10.342 21.428 -10.288 1.00 0.00 C ATOM 678 C GLN A 50 9.347 20.274 -10.180 1.00 0.00 C ATOM 679 O GLN A 50 8.944 19.691 -11.186 1.00 0.00 O ATOM 680 CB GLN A 50 11.757 20.916 -10.023 1.00 0.00 C ATOM 681 CG GLN A 50 12.836 21.964 -10.244 1.00 0.00 C ATOM 682 CD GLN A 50 14.178 21.551 -9.669 1.00 0.00 C ATOM 683 OE1 GLN A 50 14.988 20.915 -10.342 1.00 0.00 O ATOM 684 NE2 GLN A 50 14.415 21.923 -8.422 1.00 0.00 N ATOM 0 H GLN A 50 10.744 22.668 -8.650 1.00 0.00 H new ATOM 0 HA GLN A 50 10.282 21.837 -11.297 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.817 20.556 -8.996 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.953 20.063 -10.672 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.944 22.149 -11.313 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.523 22.904 -9.788 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.711 22.450 -7.904 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.301 21.683 -7.978 1.00 0.00 H new ATOM 693 N MET A 51 8.952 19.960 -8.954 1.00 0.00 N ATOM 694 CA MET A 51 8.044 18.849 -8.698 1.00 0.00 C ATOM 695 C MET A 51 6.624 19.152 -9.179 1.00 0.00 C ATOM 696 O MET A 51 5.987 18.312 -9.808 1.00 0.00 O ATOM 697 CB MET A 51 8.048 18.500 -7.206 1.00 0.00 C ATOM 698 CG MET A 51 7.024 17.445 -6.819 1.00 0.00 C ATOM 699 SD MET A 51 5.589 18.150 -5.986 1.00 0.00 S ATOM 700 CE MET A 51 6.319 18.637 -4.425 1.00 0.00 C ATOM 0 H MET A 51 9.248 20.462 -8.117 1.00 0.00 H new ATOM 0 HA MET A 51 8.399 17.989 -9.266 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.041 18.148 -6.928 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.858 19.406 -6.630 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.697 16.915 -7.714 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.494 16.709 -6.166 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.547 18.669 -3.656 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.085 17.915 -4.140 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.771 19.624 -4.527 1.00 0.00 H new ATOM 710 N GLN A 52 6.127 20.349 -8.894 1.00 0.00 N ATOM 711 CA GLN A 52 4.773 20.713 -9.299 1.00 0.00 C ATOM 712 C GLN A 52 4.674 20.841 -10.815 1.00 0.00 C ATOM 713 O GLN A 52 3.674 20.456 -11.417 1.00 0.00 O ATOM 714 CB GLN A 52 4.331 22.015 -8.628 1.00 0.00 C ATOM 715 CG GLN A 52 4.124 21.879 -7.129 1.00 0.00 C ATOM 716 CD GLN A 52 3.819 23.203 -6.461 1.00 0.00 C ATOM 717 OE1 GLN A 52 2.661 23.595 -6.334 1.00 0.00 O ATOM 718 NE2 GLN A 52 4.859 23.909 -6.046 1.00 0.00 N ATOM 0 H GLN A 52 6.633 21.077 -8.390 1.00 0.00 H new ATOM 0 HA GLN A 52 4.105 19.915 -8.975 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.080 22.785 -8.816 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.402 22.355 -9.087 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.306 21.184 -6.941 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.019 21.447 -6.680 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.804 23.546 -6.171 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.715 24.816 -5.601 1.00 0.00 H new ATOM 727 N LYS A 53 5.726 21.363 -11.431 1.00 0.00 N ATOM 728 CA LYS A 53 5.758 21.536 -12.875 1.00 0.00 C ATOM 729 C LYS A 53 6.131 20.233 -13.580 1.00 0.00 C ATOM 730 O LYS A 53 6.266 20.196 -14.803 1.00 0.00 O ATOM 731 CB LYS A 53 6.738 22.646 -13.237 1.00 0.00 C ATOM 732 CG LYS A 53 6.313 24.004 -12.703 1.00 0.00 C ATOM 733 CD LYS A 53 7.397 25.045 -12.897 1.00 0.00 C ATOM 734 CE LYS A 53 7.774 25.197 -14.360 1.00 0.00 C ATOM 735 NZ LYS A 53 8.783 26.269 -14.566 1.00 0.00 N ATOM 0 H LYS A 53 6.570 21.674 -10.951 1.00 0.00 H new ATOM 0 HA LYS A 53 4.761 21.817 -13.214 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.723 22.398 -12.842 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.834 22.701 -14.321 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.404 24.326 -13.210 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.074 23.920 -11.643 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.055 26.004 -12.508 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.279 24.764 -12.321 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.168 24.252 -14.733 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.881 25.423 -14.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.013 26.340 -15.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.398 27.176 -14.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.645 26.042 -14.031 1.00 0.00 H new ATOM 749 N MET A 54 6.292 19.165 -12.804 1.00 0.00 N ATOM 750 CA MET A 54 6.586 17.849 -13.362 1.00 0.00 C ATOM 751 C MET A 54 5.374 17.324 -14.127 1.00 0.00 C ATOM 752 O MET A 54 5.511 16.688 -15.174 1.00 0.00 O ATOM 753 CB MET A 54 6.963 16.865 -12.250 1.00 0.00 C ATOM 754 CG MET A 54 7.345 15.483 -12.756 1.00 0.00 C ATOM 755 SD MET A 54 7.581 14.280 -11.429 1.00 0.00 S ATOM 756 CE MET A 54 8.853 15.065 -10.441 1.00 0.00 C ATOM 0 H MET A 54 6.224 19.185 -11.786 1.00 0.00 H new ATOM 0 HA MET A 54 7.430 17.944 -14.045 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.797 17.276 -11.681 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.123 16.770 -11.562 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.568 15.123 -13.431 1.00 0.00 H new ATOM 0 HG3 MET A 54 8.264 15.557 -13.338 1.00 0.00 H new ATOM 0 HE1 MET A 54 9.233 14.355 -9.707 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.668 15.389 -11.088 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.433 15.929 -9.926 1.00 0.00 H new ATOM 766 N GLY A 55 4.191 17.602 -13.593 1.00 0.00 N ATOM 767 CA GLY A 55 2.961 17.204 -14.249 1.00 0.00 C ATOM 768 C GLY A 55 2.281 16.042 -13.555 1.00 0.00 C ATOM 769 O GLY A 55 2.950 15.211 -12.943 1.00 0.00 O ATOM 0 H GLY A 55 4.062 18.099 -12.712 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.279 18.054 -14.280 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.176 16.930 -15.282 1.00 0.00 H new ATOM 773 N PRO A 56 0.943 15.964 -13.625 1.00 0.00 N ATOM 774 CA PRO A 56 0.185 14.856 -13.037 1.00 0.00 C ATOM 775 C PRO A 56 0.554 13.524 -13.677 1.00 0.00 C ATOM 776 O PRO A 56 0.740 13.446 -14.893 1.00 0.00 O ATOM 777 CB PRO A 56 -1.278 15.214 -13.324 1.00 0.00 C ATOM 778 CG PRO A 56 -1.230 16.204 -14.438 1.00 0.00 C ATOM 779 CD PRO A 56 0.063 16.949 -14.278 1.00 0.00 C ATOM 0 HA PRO A 56 0.390 14.735 -11.973 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.851 14.331 -13.607 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.760 15.637 -12.442 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.275 15.704 -15.406 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.080 16.885 -14.391 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.463 17.271 -15.239 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.061 17.844 -13.668 1.00 0.00 H new ATOM 787 N ASN A 57 0.647 12.483 -12.850 1.00 0.00 N ATOM 788 CA ASN A 57 1.126 11.172 -13.288 1.00 0.00 C ATOM 789 C ASN A 57 2.571 11.281 -13.769 1.00 0.00 C ATOM 790 O ASN A 57 2.843 11.355 -14.970 1.00 0.00 O ATOM 791 CB ASN A 57 0.235 10.577 -14.384 1.00 0.00 C ATOM 792 CG ASN A 57 -1.167 10.265 -13.892 1.00 0.00 C ATOM 793 OD1 ASN A 57 -1.426 9.183 -13.365 1.00 0.00 O ATOM 794 ND2 ASN A 57 -2.087 11.199 -14.079 1.00 0.00 N ATOM 0 H ASN A 57 0.394 12.524 -11.863 1.00 0.00 H new ATOM 0 HA ASN A 57 1.082 10.495 -12.435 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.176 11.276 -15.218 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.694 9.664 -14.765 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.049 11.034 -13.782 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.834 12.083 -14.519 1.00 0.00 H new ATOM 801 N PRO A 58 3.509 11.323 -12.815 1.00 0.00 N ATOM 802 CA PRO A 58 4.935 11.538 -13.092 1.00 0.00 C ATOM 803 C PRO A 58 5.580 10.399 -13.880 1.00 0.00 C ATOM 804 O PRO A 58 5.573 9.245 -13.448 1.00 0.00 O ATOM 805 CB PRO A 58 5.559 11.627 -11.693 1.00 0.00 C ATOM 806 CG PRO A 58 4.422 11.890 -10.770 1.00 0.00 C ATOM 807 CD PRO A 58 3.253 11.180 -11.374 1.00 0.00 C ATOM 0 HA PRO A 58 5.086 12.422 -13.712 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.071 10.701 -11.432 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.299 12.426 -11.643 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.634 11.517 -9.768 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.229 12.959 -10.678 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.211 10.134 -11.070 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.306 11.634 -11.082 1.00 0.00 H new ATOM 815 N PRO A 59 6.149 10.709 -15.056 1.00 0.00 N ATOM 816 CA PRO A 59 6.879 9.733 -15.854 1.00 0.00 C ATOM 817 C PRO A 59 8.327 9.576 -15.376 1.00 0.00 C ATOM 818 O PRO A 59 8.934 10.530 -14.882 1.00 0.00 O ATOM 819 CB PRO A 59 6.812 10.326 -17.256 1.00 0.00 C ATOM 820 CG PRO A 59 6.764 11.805 -17.047 1.00 0.00 C ATOM 821 CD PRO A 59 6.105 12.034 -15.706 1.00 0.00 C ATOM 0 HA PRO A 59 6.460 8.729 -15.790 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.681 10.039 -17.848 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.931 9.974 -17.792 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.767 12.231 -17.063 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.199 12.290 -17.843 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.639 12.783 -15.122 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.081 12.389 -15.820 1.00 0.00 H new ATOM 829 N GLN A 60 8.884 8.382 -15.552 1.00 0.00 N ATOM 830 CA GLN A 60 10.159 8.020 -14.926 1.00 0.00 C ATOM 831 C GLN A 60 11.331 8.890 -15.393 1.00 0.00 C ATOM 832 O GLN A 60 12.298 9.066 -14.651 1.00 0.00 O ATOM 833 CB GLN A 60 10.462 6.523 -15.133 1.00 0.00 C ATOM 834 CG GLN A 60 10.634 6.083 -16.586 1.00 0.00 C ATOM 835 CD GLN A 60 12.023 6.360 -17.136 1.00 0.00 C ATOM 836 OE1 GLN A 60 13.009 6.372 -16.398 1.00 0.00 O ATOM 837 NE2 GLN A 60 12.111 6.578 -18.435 1.00 0.00 N ATOM 0 H GLN A 60 8.474 7.644 -16.124 1.00 0.00 H new ATOM 0 HA GLN A 60 10.046 8.213 -13.859 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.372 6.275 -14.586 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.654 5.942 -14.688 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.426 5.016 -16.662 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.897 6.596 -17.204 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.271 6.560 -19.013 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.019 6.765 -18.860 1.00 0.00 H new ATOM 846 N HIS A 61 11.254 9.445 -16.606 1.00 0.00 N ATOM 847 CA HIS A 61 12.339 10.297 -17.111 1.00 0.00 C ATOM 848 C HIS A 61 12.467 11.560 -16.259 1.00 0.00 C ATOM 849 O HIS A 61 13.522 12.189 -16.214 1.00 0.00 O ATOM 850 CB HIS A 61 12.137 10.663 -18.593 1.00 0.00 C ATOM 851 CG HIS A 61 11.109 11.726 -18.854 1.00 0.00 C ATOM 852 ND1 HIS A 61 9.759 11.680 -18.837 1.00 0.00 N flip ATOM 853 CD2 HIS A 61 11.434 13.017 -19.210 1.00 0.00 C flip ATOM 854 CE1 HIS A 61 9.299 12.924 -19.180 1.00 0.00 C flip ATOM 855 NE2 HIS A 61 10.329 13.711 -19.399 1.00 0.00 N flip ATOM 0 H HIS A 61 10.470 9.325 -17.247 1.00 0.00 H new ATOM 0 HA HIS A 61 13.265 9.727 -17.039 1.00 0.00 H new ATOM 0 HB2 HIS A 61 13.091 10.994 -19.002 1.00 0.00 H new ATOM 0 HB3 HIS A 61 11.852 9.763 -19.138 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.438 13.401 -19.317 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.261 13.211 -19.258 1.00 0.00 H new ATOM 0 HE2 HIS A 61 10.281 14.693 -19.670 1.00 0.00 H new ATOM 863 N ARG A 62 11.381 11.915 -15.582 1.00 0.00 N ATOM 864 CA ARG A 62 11.377 13.052 -14.673 1.00 0.00 C ATOM 865 C ARG A 62 11.945 12.633 -13.327 1.00 0.00 C ATOM 866 O ARG A 62 12.780 13.321 -12.749 1.00 0.00 O ATOM 867 CB ARG A 62 9.952 13.573 -14.483 1.00 0.00 C ATOM 868 CG ARG A 62 9.348 14.217 -15.719 1.00 0.00 C ATOM 869 CD ARG A 62 9.822 15.651 -15.896 1.00 0.00 C ATOM 870 NE ARG A 62 8.902 16.416 -16.736 1.00 0.00 N ATOM 871 CZ ARG A 62 9.073 17.694 -17.073 1.00 0.00 C ATOM 872 NH1 ARG A 62 10.163 18.350 -16.699 1.00 0.00 N ATOM 873 NH2 ARG A 62 8.149 18.307 -17.800 1.00 0.00 N ATOM 0 H ARG A 62 10.487 11.428 -15.647 1.00 0.00 H new ATOM 0 HA ARG A 62 11.992 13.845 -15.100 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.314 12.746 -14.171 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.950 14.301 -13.671 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.615 13.634 -16.600 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.261 14.200 -15.644 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.911 16.130 -14.921 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.816 15.655 -16.344 1.00 0.00 H new ATOM 0 HE ARG A 62 8.072 15.939 -17.088 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.879 17.877 -16.149 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.285 19.328 -16.962 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.315 17.801 -18.097 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.272 19.285 -18.062 1.00 0.00 H new ATOM 887 N LEU A 63 11.484 11.483 -12.855 1.00 0.00 N ATOM 888 CA LEU A 63 11.897 10.936 -11.565 1.00 0.00 C ATOM 889 C LEU A 63 13.408 10.763 -11.499 1.00 0.00 C ATOM 890 O LEU A 63 14.046 11.189 -10.537 1.00 0.00 O ATOM 891 CB LEU A 63 11.207 9.589 -11.318 1.00 0.00 C ATOM 892 CG LEU A 63 9.778 9.654 -10.759 1.00 0.00 C ATOM 893 CD1 LEU A 63 8.908 10.596 -11.575 1.00 0.00 C ATOM 894 CD2 LEU A 63 9.161 8.266 -10.740 1.00 0.00 C ATOM 0 H LEU A 63 10.812 10.900 -13.355 1.00 0.00 H new ATOM 0 HA LEU A 63 11.600 11.642 -10.789 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.183 9.038 -12.258 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.820 9.011 -10.626 1.00 0.00 H new ATOM 0 HG LEU A 63 9.833 10.039 -9.741 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.903 10.620 -11.154 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.335 11.598 -11.551 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.861 10.246 -12.606 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.148 8.324 -10.342 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.130 7.868 -11.754 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.761 7.609 -10.110 1.00 0.00 H new ATOM 906 N ARG A 64 13.973 10.170 -12.548 1.00 0.00 N ATOM 907 CA ARG A 64 15.411 9.912 -12.616 1.00 0.00 C ATOM 908 C ARG A 64 16.218 11.203 -12.749 1.00 0.00 C ATOM 909 O ARG A 64 17.449 11.180 -12.732 1.00 0.00 O ATOM 910 CB ARG A 64 15.729 8.970 -13.780 1.00 0.00 C ATOM 911 CG ARG A 64 15.561 7.501 -13.433 1.00 0.00 C ATOM 912 CD ARG A 64 15.806 6.611 -14.639 1.00 0.00 C ATOM 913 NE ARG A 64 16.113 5.233 -14.251 1.00 0.00 N ATOM 914 CZ ARG A 64 15.584 4.150 -14.822 1.00 0.00 C ATOM 915 NH1 ARG A 64 14.647 4.269 -15.757 1.00 0.00 N ATOM 916 NH2 ARG A 64 15.983 2.943 -14.436 1.00 0.00 N ATOM 0 H ARG A 64 13.454 9.857 -13.368 1.00 0.00 H new ATOM 0 HA ARG A 64 15.701 9.437 -11.679 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.080 9.213 -14.621 1.00 0.00 H new ATOM 0 HB3 ARG A 64 16.754 9.143 -14.108 1.00 0.00 H new ATOM 0 HG2 ARG A 64 16.254 7.233 -12.635 1.00 0.00 H new ATOM 0 HG3 ARG A 64 14.554 7.329 -13.052 1.00 0.00 H new ATOM 0 HD2 ARG A 64 14.925 6.619 -15.280 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.631 7.015 -15.226 1.00 0.00 H new ATOM 0 HE ARG A 64 16.778 5.091 -13.491 1.00 0.00 H new ATOM 0 HH11 ARG A 64 14.327 5.194 -16.043 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.248 3.435 -16.188 1.00 0.00 H new ATOM 0 HH21 ARG A 64 16.690 2.849 -13.707 1.00 0.00 H new ATOM 0 HH22 ARG A 64 15.582 2.111 -14.869 1.00 0.00 H new ATOM 930 N ALA A 65 15.529 12.327 -12.879 1.00 0.00 N ATOM 931 CA ALA A 65 16.192 13.615 -12.980 1.00 0.00 C ATOM 932 C ALA A 65 16.042 14.408 -11.686 1.00 0.00 C ATOM 933 O ALA A 65 16.653 15.463 -11.522 1.00 0.00 O ATOM 934 CB ALA A 65 15.635 14.405 -14.156 1.00 0.00 C ATOM 0 H ALA A 65 14.511 12.371 -12.917 1.00 0.00 H new ATOM 0 HA ALA A 65 17.255 13.440 -13.148 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.141 15.368 -14.220 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.798 13.848 -15.079 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.566 14.565 -14.013 1.00 0.00 H new ATOM 940 N MET A 66 15.251 13.885 -10.754 1.00 0.00 N ATOM 941 CA MET A 66 14.952 14.605 -9.516 1.00 0.00 C ATOM 942 C MET A 66 15.994 14.301 -8.450 1.00 0.00 C ATOM 943 O MET A 66 16.370 15.173 -7.666 1.00 0.00 O ATOM 944 CB MET A 66 13.554 14.252 -8.997 1.00 0.00 C ATOM 945 CG MET A 66 12.428 14.674 -9.926 1.00 0.00 C ATOM 946 SD MET A 66 12.428 16.446 -10.285 1.00 0.00 S ATOM 947 CE MET A 66 12.168 17.146 -8.656 1.00 0.00 C ATOM 0 H MET A 66 14.806 12.970 -10.830 1.00 0.00 H new ATOM 0 HA MET A 66 14.979 15.672 -9.739 1.00 0.00 H new ATOM 0 HB2 MET A 66 13.497 13.175 -8.839 1.00 0.00 H new ATOM 0 HB3 MET A 66 13.407 14.725 -8.026 1.00 0.00 H new ATOM 0 HG2 MET A 66 12.510 14.120 -10.861 1.00 0.00 H new ATOM 0 HG3 MET A 66 11.473 14.401 -9.477 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.917 18.202 -8.750 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.351 16.621 -8.161 1.00 0.00 H new ATOM 0 HE3 MET A 66 13.078 17.041 -8.065 1.00 0.00 H new ATOM 957 N ASN A 67 16.458 13.059 -8.436 1.00 0.00 N ATOM 958 CA ASN A 67 17.509 12.633 -7.515 1.00 0.00 C ATOM 959 C ASN A 67 18.761 13.485 -7.688 1.00 0.00 C ATOM 960 O ASN A 67 19.352 13.941 -6.711 1.00 0.00 O ATOM 961 CB ASN A 67 17.833 11.149 -7.729 1.00 0.00 C ATOM 962 CG ASN A 67 17.630 10.713 -9.169 1.00 0.00 C ATOM 963 OD1 ASN A 67 16.538 10.305 -9.546 1.00 0.00 O ATOM 964 ND2 ASN A 67 18.668 10.793 -9.982 1.00 0.00 N ATOM 0 H ASN A 67 16.122 12.322 -9.056 1.00 0.00 H new ATOM 0 HA ASN A 67 17.148 12.768 -6.496 1.00 0.00 H new ATOM 0 HB2 ASN A 67 18.866 10.960 -7.437 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.202 10.545 -7.077 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.575 10.510 -10.958 1.00 0.00 H new ATOM 0 HD22 ASN A 67 19.563 11.138 -9.634 1.00 0.00 H new ATOM 971 N THR A 68 19.148 13.717 -8.933 1.00 0.00 N ATOM 972 CA THR A 68 20.315 14.532 -9.227 1.00 0.00 C ATOM 973 C THR A 68 19.995 16.022 -9.068 1.00 0.00 C ATOM 974 O THR A 68 20.866 16.819 -8.720 1.00 0.00 O ATOM 975 CB THR A 68 20.831 14.246 -10.651 1.00 0.00 C ATOM 976 OG1 THR A 68 21.002 12.830 -10.827 1.00 0.00 O ATOM 977 CG2 THR A 68 22.154 14.954 -10.909 1.00 0.00 C ATOM 0 H THR A 68 18.670 13.352 -9.756 1.00 0.00 H new ATOM 0 HA THR A 68 21.097 14.271 -8.514 1.00 0.00 H new ATOM 0 HB THR A 68 20.096 14.623 -11.362 1.00 0.00 H new ATOM 0 HG1 THR A 68 21.328 12.650 -11.733 1.00 0.00 H new ATOM 0 HG21 THR A 68 22.493 14.734 -11.921 1.00 0.00 H new ATOM 0 HG22 THR A 68 22.019 16.030 -10.798 1.00 0.00 H new ATOM 0 HG23 THR A 68 22.899 14.606 -10.193 1.00 0.00 H new ATOM 985 N ALA A 69 18.735 16.385 -9.298 1.00 0.00 N ATOM 986 CA ALA A 69 18.310 17.778 -9.179 1.00 0.00 C ATOM 987 C ALA A 69 18.494 18.286 -7.755 1.00 0.00 C ATOM 988 O ALA A 69 19.201 19.268 -7.528 1.00 0.00 O ATOM 989 CB ALA A 69 16.859 17.938 -9.611 1.00 0.00 C ATOM 0 H ALA A 69 17.994 15.738 -9.566 1.00 0.00 H new ATOM 0 HA ALA A 69 18.938 18.375 -9.840 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.564 18.983 -9.514 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.752 17.625 -10.650 1.00 0.00 H new ATOM 0 HB3 ALA A 69 16.221 17.321 -8.979 1.00 0.00 H new ATOM 995 N MET A 70 17.879 17.593 -6.800 1.00 0.00 N ATOM 996 CA MET A 70 17.980 17.979 -5.395 1.00 0.00 C ATOM 997 C MET A 70 19.433 17.975 -4.963 1.00 0.00 C ATOM 998 O MET A 70 19.903 18.899 -4.303 1.00 0.00 O ATOM 999 CB MET A 70 17.196 17.018 -4.501 1.00 0.00 C ATOM 1000 CG MET A 70 17.238 17.399 -3.026 1.00 0.00 C ATOM 1001 SD MET A 70 16.779 16.042 -1.930 1.00 0.00 S ATOM 1002 CE MET A 70 15.091 15.737 -2.434 1.00 0.00 C ATOM 0 H MET A 70 17.308 16.765 -6.972 1.00 0.00 H new ATOM 0 HA MET A 70 17.559 18.979 -5.292 1.00 0.00 H new ATOM 0 HB2 MET A 70 16.158 16.989 -4.832 1.00 0.00 H new ATOM 0 HB3 MET A 70 17.597 16.012 -4.621 1.00 0.00 H new ATOM 0 HG2 MET A 70 18.243 17.738 -2.773 1.00 0.00 H new ATOM 0 HG3 MET A 70 16.565 18.239 -2.855 1.00 0.00 H new ATOM 0 HE1 MET A 70 14.682 14.910 -1.854 1.00 0.00 H new ATOM 0 HE2 MET A 70 14.493 16.632 -2.262 1.00 0.00 H new ATOM 0 HE3 MET A 70 15.068 15.483 -3.494 1.00 0.00 H new ATOM 1012 N ALA A 71 20.130 16.919 -5.354 1.00 0.00 N ATOM 1013 CA ALA A 71 21.535 16.743 -5.022 1.00 0.00 C ATOM 1014 C ALA A 71 22.364 17.971 -5.381 1.00 0.00 C ATOM 1015 O ALA A 71 23.173 18.436 -4.582 1.00 0.00 O ATOM 1016 CB ALA A 71 22.078 15.523 -5.736 1.00 0.00 C ATOM 0 H ALA A 71 19.737 16.160 -5.911 1.00 0.00 H new ATOM 0 HA ALA A 71 21.608 16.604 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 71 23.131 15.393 -5.486 1.00 0.00 H new ATOM 0 HB2 ALA A 71 21.520 14.640 -5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 71 21.975 15.656 -6.813 1.00 0.00 H new ATOM 1022 N ALA A 72 22.148 18.495 -6.582 1.00 0.00 N ATOM 1023 CA ALA A 72 22.899 19.649 -7.058 1.00 0.00 C ATOM 1024 C ALA A 72 22.582 20.895 -6.241 1.00 0.00 C ATOM 1025 O ALA A 72 23.469 21.694 -5.940 1.00 0.00 O ATOM 1026 CB ALA A 72 22.604 19.900 -8.526 1.00 0.00 C ATOM 0 H ALA A 72 21.459 18.138 -7.244 1.00 0.00 H new ATOM 0 HA ALA A 72 23.960 19.428 -6.938 1.00 0.00 H new ATOM 0 HB1 ALA A 72 23.172 20.765 -8.868 1.00 0.00 H new ATOM 0 HB2 ALA A 72 22.889 19.025 -9.109 1.00 0.00 H new ATOM 0 HB3 ALA A 72 21.539 20.091 -8.656 1.00 0.00 H new ATOM 1032 N GLU A 73 21.319 21.050 -5.872 1.00 0.00 N ATOM 1033 CA GLU A 73 20.883 22.228 -5.136 1.00 0.00 C ATOM 1034 C GLU A 73 21.364 22.176 -3.689 1.00 0.00 C ATOM 1035 O GLU A 73 21.812 23.184 -3.139 1.00 0.00 O ATOM 1036 CB GLU A 73 19.363 22.361 -5.203 1.00 0.00 C ATOM 1037 CG GLU A 73 18.835 22.360 -6.627 1.00 0.00 C ATOM 1038 CD GLU A 73 17.398 22.816 -6.727 1.00 0.00 C ATOM 1039 OE1 GLU A 73 16.489 21.970 -6.637 1.00 0.00 O ATOM 1040 OE2 GLU A 73 17.180 24.032 -6.920 1.00 0.00 O ATOM 0 H GLU A 73 20.579 20.376 -6.070 1.00 0.00 H new ATOM 0 HA GLU A 73 21.326 23.109 -5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.906 21.540 -4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.061 23.285 -4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 73 19.460 23.010 -7.240 1.00 0.00 H new ATOM 0 HG3 GLU A 73 18.920 21.354 -7.039 1.00 0.00 H new ATOM 1047 N VAL A 74 21.289 20.997 -3.081 1.00 0.00 N ATOM 1048 CA VAL A 74 21.799 20.806 -1.729 1.00 0.00 C ATOM 1049 C VAL A 74 23.320 20.962 -1.722 1.00 0.00 C ATOM 1050 O VAL A 74 23.907 21.423 -0.744 1.00 0.00 O ATOM 1051 CB VAL A 74 21.422 19.418 -1.159 1.00 0.00 C ATOM 1052 CG1 VAL A 74 21.923 19.264 0.268 1.00 0.00 C ATOM 1053 CG2 VAL A 74 19.920 19.197 -1.216 1.00 0.00 C ATOM 0 H VAL A 74 20.881 20.162 -3.502 1.00 0.00 H new ATOM 0 HA VAL A 74 21.340 21.565 -1.095 1.00 0.00 H new ATOM 0 HB VAL A 74 21.905 18.662 -1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 74 21.646 18.280 0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 74 23.008 19.367 0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 74 21.475 20.034 0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 74 19.681 18.214 -0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 74 19.417 19.965 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.583 19.253 -2.251 1.00 0.00 H new ATOM 1063 N ALA A 75 23.947 20.588 -2.830 1.00 0.00 N ATOM 1064 CA ALA A 75 25.393 20.702 -2.974 1.00 0.00 C ATOM 1065 C ALA A 75 25.851 22.147 -2.837 1.00 0.00 C ATOM 1066 O ALA A 75 26.908 22.412 -2.271 1.00 0.00 O ATOM 1067 CB ALA A 75 25.840 20.134 -4.309 1.00 0.00 C ATOM 0 H ALA A 75 23.474 20.201 -3.646 1.00 0.00 H new ATOM 0 HA ALA A 75 25.854 20.125 -2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 75 26.922 20.227 -4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.560 19.082 -4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.359 20.684 -5.118 1.00 0.00 H new ATOM 1073 N GLU A 76 25.040 23.074 -3.340 1.00 0.00 N ATOM 1074 CA GLU A 76 25.369 24.495 -3.296 1.00 0.00 C ATOM 1075 C GLU A 76 25.596 24.971 -1.864 1.00 0.00 C ATOM 1076 O GLU A 76 26.656 25.509 -1.541 1.00 0.00 O ATOM 1077 CB GLU A 76 24.255 25.324 -3.942 1.00 0.00 C ATOM 1078 CG GLU A 76 24.124 25.111 -5.441 1.00 0.00 C ATOM 1079 CD GLU A 76 25.397 25.451 -6.187 1.00 0.00 C ATOM 1080 OE1 GLU A 76 25.916 26.572 -6.006 1.00 0.00 O ATOM 1081 OE2 GLU A 76 25.877 24.608 -6.973 1.00 0.00 O ATOM 0 H GLU A 76 24.146 22.865 -3.785 1.00 0.00 H new ATOM 0 HA GLU A 76 26.294 24.634 -3.856 1.00 0.00 H new ATOM 0 HB2 GLU A 76 23.307 25.076 -3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.442 26.380 -3.749 1.00 0.00 H new ATOM 0 HG2 GLU A 76 23.859 24.072 -5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.308 25.725 -5.822 1.00 0.00 H new ATOM 1088 N VAL A 77 24.609 24.751 -1.000 1.00 0.00 N ATOM 1089 CA VAL A 77 24.688 25.236 0.375 1.00 0.00 C ATOM 1090 C VAL A 77 25.787 24.518 1.160 1.00 0.00 C ATOM 1091 O VAL A 77 26.388 25.093 2.068 1.00 0.00 O ATOM 1092 CB VAL A 77 23.340 25.098 1.124 1.00 0.00 C ATOM 1093 CG1 VAL A 77 22.260 25.926 0.444 1.00 0.00 C ATOM 1094 CG2 VAL A 77 22.907 23.643 1.228 1.00 0.00 C ATOM 0 H VAL A 77 23.752 24.245 -1.224 1.00 0.00 H new ATOM 0 HA VAL A 77 24.933 26.296 0.309 1.00 0.00 H new ATOM 0 HB VAL A 77 23.485 25.477 2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 77 21.321 25.815 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 77 22.555 26.975 0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 77 22.130 25.582 -0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 77 21.957 23.583 1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 77 22.790 23.226 0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 77 23.663 23.076 1.771 1.00 0.00 H new ATOM 1104 N VAL A 78 26.064 23.274 0.787 1.00 0.00 N ATOM 1105 CA VAL A 78 27.076 22.482 1.471 1.00 0.00 C ATOM 1106 C VAL A 78 28.478 22.849 0.979 1.00 0.00 C ATOM 1107 O VAL A 78 29.446 22.777 1.733 1.00 0.00 O ATOM 1108 CB VAL A 78 26.830 20.966 1.286 1.00 0.00 C ATOM 1109 CG1 VAL A 78 27.876 20.143 2.023 1.00 0.00 C ATOM 1110 CG2 VAL A 78 25.436 20.586 1.765 1.00 0.00 C ATOM 0 H VAL A 78 25.602 22.793 0.015 1.00 0.00 H new ATOM 0 HA VAL A 78 27.004 22.711 2.534 1.00 0.00 H new ATOM 0 HB VAL A 78 26.910 20.746 0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 78 27.676 19.082 1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 78 28.866 20.383 1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 78 27.836 20.373 3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.283 19.516 1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 78 25.334 20.833 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 78 24.691 21.137 1.190 1.00 0.00 H new ATOM 1120 N ALA A 79 28.579 23.270 -0.277 1.00 0.00 N ATOM 1121 CA ALA A 79 29.866 23.645 -0.858 1.00 0.00 C ATOM 1122 C ALA A 79 30.430 24.895 -0.187 1.00 0.00 C ATOM 1123 O ALA A 79 31.637 25.132 -0.204 1.00 0.00 O ATOM 1124 CB ALA A 79 29.729 23.873 -2.357 1.00 0.00 C ATOM 0 H ALA A 79 27.787 23.361 -0.913 1.00 0.00 H new ATOM 0 HA ALA A 79 30.561 22.823 -0.688 1.00 0.00 H new ATOM 0 HB1 ALA A 79 30.697 24.152 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.379 22.957 -2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 79 29.012 24.674 -2.539 1.00 0.00 H new ATOM 1130 N THR A 80 29.549 25.687 0.408 1.00 0.00 N ATOM 1131 CA THR A 80 29.947 26.913 1.084 1.00 0.00 C ATOM 1132 C THR A 80 30.306 26.639 2.555 1.00 0.00 C ATOM 1133 O THR A 80 30.467 27.562 3.353 1.00 0.00 O ATOM 1134 CB THR A 80 28.809 27.953 1.005 1.00 0.00 C ATOM 1135 OG1 THR A 80 28.155 27.857 -0.272 1.00 0.00 O ATOM 1136 CG2 THR A 80 29.340 29.369 1.185 1.00 0.00 C ATOM 0 H THR A 80 28.547 25.500 0.436 1.00 0.00 H new ATOM 0 HA THR A 80 30.831 27.307 0.583 1.00 0.00 H new ATOM 0 HB THR A 80 28.104 27.741 1.808 1.00 0.00 H new ATOM 0 HG1 THR A 80 27.432 28.517 -0.320 1.00 0.00 H new ATOM 0 HG21 THR A 80 28.514 30.078 1.124 1.00 0.00 H new ATOM 0 HG22 THR A 80 29.822 29.456 2.159 1.00 0.00 H new ATOM 0 HG23 THR A 80 30.065 29.588 0.401 1.00 0.00 H new ATOM 1144 N SER A 81 30.443 25.365 2.906 1.00 0.00 N ATOM 1145 CA SER A 81 30.757 24.986 4.279 1.00 0.00 C ATOM 1146 C SER A 81 32.266 24.918 4.499 1.00 0.00 C ATOM 1147 O SER A 81 32.997 24.367 3.672 1.00 0.00 O ATOM 1148 CB SER A 81 30.135 23.627 4.610 1.00 0.00 C ATOM 1149 OG SER A 81 28.755 23.609 4.297 1.00 0.00 O ATOM 0 H SER A 81 30.342 24.580 2.262 1.00 0.00 H new ATOM 0 HA SER A 81 30.341 25.748 4.938 1.00 0.00 H new ATOM 0 HB2 SER A 81 30.648 22.843 4.052 1.00 0.00 H new ATOM 0 HB3 SER A 81 30.274 23.408 5.669 1.00 0.00 H new ATOM 0 HG SER A 81 28.640 23.471 3.334 1.00 0.00 H new ATOM 1155 N PRO A 82 32.754 25.496 5.609 1.00 0.00 N ATOM 1156 CA PRO A 82 34.159 25.369 6.012 1.00 0.00 C ATOM 1157 C PRO A 82 34.563 23.904 6.209 1.00 0.00 C ATOM 1158 O PRO A 82 33.720 23.065 6.533 1.00 0.00 O ATOM 1159 CB PRO A 82 34.222 26.126 7.342 1.00 0.00 C ATOM 1160 CG PRO A 82 33.060 27.056 7.311 1.00 0.00 C ATOM 1161 CD PRO A 82 31.987 26.347 6.538 1.00 0.00 C ATOM 0 HA PRO A 82 34.841 25.761 5.257 1.00 0.00 H new ATOM 0 HB2 PRO A 82 34.158 25.442 8.189 1.00 0.00 H new ATOM 0 HB3 PRO A 82 35.161 26.671 7.442 1.00 0.00 H new ATOM 0 HG2 PRO A 82 32.723 27.293 8.320 1.00 0.00 H new ATOM 0 HG3 PRO A 82 33.327 27.999 6.834 1.00 0.00 H new ATOM 0 HD2 PRO A 82 31.344 25.755 7.190 1.00 0.00 H new ATOM 0 HD3 PRO A 82 31.343 27.047 6.006 1.00 0.00 H new ATOM 1169 N PRO A 83 35.857 23.582 6.024 1.00 0.00 N ATOM 1170 CA PRO A 83 36.367 22.203 6.111 1.00 0.00 C ATOM 1171 C PRO A 83 35.889 21.443 7.352 1.00 0.00 C ATOM 1172 O PRO A 83 35.353 20.338 7.243 1.00 0.00 O ATOM 1173 CB PRO A 83 37.882 22.396 6.158 1.00 0.00 C ATOM 1174 CG PRO A 83 38.118 23.660 5.409 1.00 0.00 C ATOM 1175 CD PRO A 83 36.933 24.542 5.701 1.00 0.00 C ATOM 0 HA PRO A 83 36.011 21.599 5.277 1.00 0.00 H new ATOM 0 HB2 PRO A 83 38.241 22.469 7.184 1.00 0.00 H new ATOM 0 HB3 PRO A 83 38.404 21.558 5.697 1.00 0.00 H new ATOM 0 HG2 PRO A 83 39.046 24.135 5.727 1.00 0.00 H new ATOM 0 HG3 PRO A 83 38.208 23.469 4.340 1.00 0.00 H new ATOM 0 HD2 PRO A 83 37.131 25.217 6.533 1.00 0.00 H new ATOM 0 HD3 PRO A 83 36.673 25.162 4.843 1.00 0.00 H new ATOM 1183 N GLN A 84 36.054 22.046 8.525 1.00 0.00 N ATOM 1184 CA GLN A 84 35.715 21.381 9.783 1.00 0.00 C ATOM 1185 C GLN A 84 34.209 21.382 10.029 1.00 0.00 C ATOM 1186 O GLN A 84 33.728 20.805 11.002 1.00 0.00 O ATOM 1187 CB GLN A 84 36.437 22.049 10.955 1.00 0.00 C ATOM 1188 CG GLN A 84 37.955 21.989 10.850 1.00 0.00 C ATOM 1189 CD GLN A 84 38.486 20.568 10.835 1.00 0.00 C ATOM 1190 OE1 GLN A 84 37.897 19.661 11.428 1.00 0.00 O ATOM 1191 NE2 GLN A 84 39.604 20.365 10.159 1.00 0.00 N ATOM 0 H GLN A 84 36.420 22.992 8.633 1.00 0.00 H new ATOM 0 HA GLN A 84 36.044 20.345 9.705 1.00 0.00 H new ATOM 0 HB2 GLN A 84 36.126 23.092 11.015 1.00 0.00 H new ATOM 0 HB3 GLN A 84 36.126 21.570 11.883 1.00 0.00 H new ATOM 0 HG2 GLN A 84 38.273 22.501 9.941 1.00 0.00 H new ATOM 0 HG3 GLN A 84 38.395 22.528 11.689 1.00 0.00 H new ATOM 0 HE21 GLN A 84 40.060 21.143 9.682 1.00 0.00 H new ATOM 0 HE22 GLN A 84 40.010 19.431 10.114 1.00 0.00 H new ATOM 1200 N SER A 85 33.467 22.035 9.151 1.00 0.00 N ATOM 1201 CA SER A 85 32.018 22.060 9.253 1.00 0.00 C ATOM 1202 C SER A 85 31.402 21.069 8.269 1.00 0.00 C ATOM 1203 O SER A 85 30.368 20.464 8.548 1.00 0.00 O ATOM 1204 CB SER A 85 31.500 23.469 8.971 1.00 0.00 C ATOM 1205 OG SER A 85 32.162 24.427 9.783 1.00 0.00 O ATOM 0 H SER A 85 33.844 22.555 8.359 1.00 0.00 H new ATOM 0 HA SER A 85 31.732 21.772 10.265 1.00 0.00 H new ATOM 0 HB2 SER A 85 31.651 23.712 7.919 1.00 0.00 H new ATOM 0 HB3 SER A 85 30.427 23.509 9.156 1.00 0.00 H new ATOM 0 HG SER A 85 31.815 25.321 9.583 1.00 0.00 H new ATOM 1211 N TYR A 86 32.074 20.891 7.134 1.00 0.00 N ATOM 1212 CA TYR A 86 31.569 20.069 6.037 1.00 0.00 C ATOM 1213 C TYR A 86 31.157 18.672 6.500 1.00 0.00 C ATOM 1214 O TYR A 86 30.042 18.227 6.229 1.00 0.00 O ATOM 1215 CB TYR A 86 32.627 19.955 4.935 1.00 0.00 C ATOM 1216 CG TYR A 86 32.139 19.214 3.711 1.00 0.00 C ATOM 1217 CD1 TYR A 86 32.269 17.835 3.607 1.00 0.00 C ATOM 1218 CD2 TYR A 86 31.536 19.896 2.664 1.00 0.00 C ATOM 1219 CE1 TYR A 86 31.814 17.158 2.491 1.00 0.00 C ATOM 1220 CE2 TYR A 86 31.076 19.227 1.548 1.00 0.00 C ATOM 1221 CZ TYR A 86 31.215 17.857 1.467 1.00 0.00 C ATOM 1222 OH TYR A 86 30.749 17.183 0.361 1.00 0.00 O ATOM 0 H TYR A 86 32.984 21.313 6.949 1.00 0.00 H new ATOM 0 HA TYR A 86 30.679 20.563 5.649 1.00 0.00 H new ATOM 0 HB2 TYR A 86 32.946 20.955 4.642 1.00 0.00 H new ATOM 0 HB3 TYR A 86 33.504 19.445 5.334 1.00 0.00 H new ATOM 0 HD1 TYR A 86 32.733 17.283 4.411 1.00 0.00 H new ATOM 0 HD2 TYR A 86 31.425 20.969 2.723 1.00 0.00 H new ATOM 0 HE1 TYR A 86 31.928 16.086 2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 86 30.609 19.774 0.742 1.00 0.00 H new ATOM 0 HH TYR A 86 30.270 17.806 -0.224 1.00 0.00 H new ATOM 1232 N SER A 87 32.055 17.986 7.192 1.00 0.00 N ATOM 1233 CA SER A 87 31.806 16.614 7.621 1.00 0.00 C ATOM 1234 C SER A 87 30.617 16.527 8.576 1.00 0.00 C ATOM 1235 O SER A 87 29.871 15.546 8.571 1.00 0.00 O ATOM 1236 CB SER A 87 33.061 16.045 8.279 1.00 0.00 C ATOM 1237 OG SER A 87 34.179 16.176 7.418 1.00 0.00 O ATOM 0 H SER A 87 32.964 18.356 7.470 1.00 0.00 H new ATOM 0 HA SER A 87 31.558 16.023 6.739 1.00 0.00 H new ATOM 0 HB2 SER A 87 33.254 16.566 9.217 1.00 0.00 H new ATOM 0 HB3 SER A 87 32.905 14.994 8.524 1.00 0.00 H new ATOM 0 HG SER A 87 34.974 15.808 7.856 1.00 0.00 H new ATOM 1243 N ALA A 88 30.428 17.565 9.374 1.00 0.00 N ATOM 1244 CA ALA A 88 29.331 17.597 10.325 1.00 0.00 C ATOM 1245 C ALA A 88 28.022 17.867 9.596 1.00 0.00 C ATOM 1246 O ALA A 88 26.981 17.295 9.923 1.00 0.00 O ATOM 1247 CB ALA A 88 29.590 18.647 11.392 1.00 0.00 C ATOM 0 H ALA A 88 31.020 18.396 9.382 1.00 0.00 H new ATOM 0 HA ALA A 88 29.255 16.628 10.819 1.00 0.00 H new ATOM 0 HB1 ALA A 88 28.760 18.660 12.098 1.00 0.00 H new ATOM 0 HB2 ALA A 88 30.513 18.408 11.921 1.00 0.00 H new ATOM 0 HB3 ALA A 88 29.683 19.627 10.923 1.00 0.00 H new ATOM 1253 N VAL A 89 28.093 18.717 8.577 1.00 0.00 N ATOM 1254 CA VAL A 89 26.927 19.043 7.766 1.00 0.00 C ATOM 1255 C VAL A 89 26.522 17.832 6.933 1.00 0.00 C ATOM 1256 O VAL A 89 25.337 17.565 6.739 1.00 0.00 O ATOM 1257 CB VAL A 89 27.201 20.251 6.838 1.00 0.00 C ATOM 1258 CG1 VAL A 89 26.009 20.535 5.934 1.00 0.00 C ATOM 1259 CG2 VAL A 89 27.538 21.485 7.658 1.00 0.00 C ATOM 0 H VAL A 89 28.949 19.194 8.293 1.00 0.00 H new ATOM 0 HA VAL A 89 26.114 19.314 8.439 1.00 0.00 H new ATOM 0 HB VAL A 89 28.054 19.999 6.208 1.00 0.00 H new ATOM 0 HG11 VAL A 89 26.233 21.389 5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 89 25.806 19.661 5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 89 25.134 20.758 6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 89 27.728 22.325 6.990 1.00 0.00 H new ATOM 0 HG22 VAL A 89 26.702 21.725 8.314 1.00 0.00 H new ATOM 0 HG23 VAL A 89 28.427 21.291 8.259 1.00 0.00 H new ATOM 1269 N LEU A 90 27.524 17.094 6.469 1.00 0.00 N ATOM 1270 CA LEU A 90 27.306 15.890 5.677 1.00 0.00 C ATOM 1271 C LEU A 90 26.405 14.914 6.428 1.00 0.00 C ATOM 1272 O LEU A 90 25.379 14.472 5.904 1.00 0.00 O ATOM 1273 CB LEU A 90 28.657 15.229 5.364 1.00 0.00 C ATOM 1274 CG LEU A 90 28.712 14.369 4.095 1.00 0.00 C ATOM 1275 CD1 LEU A 90 30.144 13.983 3.775 1.00 0.00 C ATOM 1276 CD2 LEU A 90 27.865 13.114 4.220 1.00 0.00 C ATOM 0 H LEU A 90 28.507 17.313 6.631 1.00 0.00 H new ATOM 0 HA LEU A 90 26.814 16.164 4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 90 29.410 16.012 5.280 1.00 0.00 H new ATOM 0 HB3 LEU A 90 28.938 14.606 6.213 1.00 0.00 H new ATOM 0 HG LEU A 90 28.305 14.973 3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 90 30.163 13.373 2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 90 30.737 14.884 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 90 30.562 13.414 4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 90 27.934 12.535 3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 90 28.227 12.513 5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 90 26.826 13.392 4.397 1.00 0.00 H new ATOM 1288 N ASN A 91 26.788 14.603 7.660 1.00 0.00 N ATOM 1289 CA ASN A 91 26.043 13.657 8.484 1.00 0.00 C ATOM 1290 C ASN A 91 24.672 14.209 8.850 1.00 0.00 C ATOM 1291 O ASN A 91 23.680 13.482 8.839 1.00 0.00 O ATOM 1292 CB ASN A 91 26.827 13.314 9.756 1.00 0.00 C ATOM 1293 CG ASN A 91 27.973 12.352 9.496 1.00 0.00 C ATOM 1294 OD1 ASN A 91 27.796 11.134 9.544 1.00 0.00 O ATOM 1295 ND2 ASN A 91 29.156 12.882 9.224 1.00 0.00 N ATOM 0 H ASN A 91 27.614 14.994 8.113 1.00 0.00 H new ATOM 0 HA ASN A 91 25.903 12.747 7.900 1.00 0.00 H new ATOM 0 HB2 ASN A 91 27.220 14.231 10.194 1.00 0.00 H new ATOM 0 HB3 ASN A 91 26.149 12.876 10.489 1.00 0.00 H new ATOM 0 HD21 ASN A 91 29.957 12.277 9.046 1.00 0.00 H new ATOM 0 HD22 ASN A 91 29.266 13.896 9.193 1.00 0.00 H new ATOM 1302 N THR A 92 24.626 15.497 9.159 1.00 0.00 N ATOM 1303 CA THR A 92 23.380 16.155 9.535 1.00 0.00 C ATOM 1304 C THR A 92 22.353 16.089 8.401 1.00 0.00 C ATOM 1305 O THR A 92 21.218 15.648 8.602 1.00 0.00 O ATOM 1306 CB THR A 92 23.639 17.626 9.923 1.00 0.00 C ATOM 1307 OG1 THR A 92 24.596 17.683 10.989 1.00 0.00 O ATOM 1308 CG2 THR A 92 22.358 18.318 10.360 1.00 0.00 C ATOM 0 H THR A 92 25.441 16.111 9.157 1.00 0.00 H new ATOM 0 HA THR A 92 22.974 15.625 10.397 1.00 0.00 H new ATOM 0 HB THR A 92 24.026 18.142 9.044 1.00 0.00 H new ATOM 0 HG1 THR A 92 25.498 17.557 10.626 1.00 0.00 H new ATOM 0 HG21 THR A 92 22.576 19.352 10.626 1.00 0.00 H new ATOM 0 HG22 THR A 92 21.637 18.298 9.543 1.00 0.00 H new ATOM 0 HG23 THR A 92 21.942 17.801 11.224 1.00 0.00 H new ATOM 1316 N ILE A 93 22.769 16.502 7.204 1.00 0.00 N ATOM 1317 CA ILE A 93 21.896 16.487 6.035 1.00 0.00 C ATOM 1318 C ILE A 93 21.380 15.078 5.766 1.00 0.00 C ATOM 1319 O ILE A 93 20.181 14.873 5.569 1.00 0.00 O ATOM 1320 CB ILE A 93 22.628 17.008 4.776 1.00 0.00 C ATOM 1321 CG1 ILE A 93 23.020 18.477 4.948 1.00 0.00 C ATOM 1322 CG2 ILE A 93 21.767 16.830 3.530 1.00 0.00 C ATOM 1323 CD1 ILE A 93 21.846 19.408 5.171 1.00 0.00 C ATOM 0 H ILE A 93 23.709 16.852 7.020 1.00 0.00 H new ATOM 0 HA ILE A 93 21.057 17.148 6.252 1.00 0.00 H new ATOM 0 HB ILE A 93 23.537 16.419 4.649 1.00 0.00 H new ATOM 0 HG12 ILE A 93 23.704 18.563 5.793 1.00 0.00 H new ATOM 0 HG13 ILE A 93 23.565 18.803 4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 93 22.305 17.204 2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.543 15.772 3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 93 20.837 17.386 3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 93 22.208 20.430 5.283 1.00 0.00 H new ATOM 0 HD12 ILE A 93 21.171 19.354 4.316 1.00 0.00 H new ATOM 0 HD13 ILE A 93 21.312 19.111 6.074 1.00 0.00 H new ATOM 1335 N GLY A 94 22.295 14.117 5.773 1.00 0.00 N ATOM 1336 CA GLY A 94 21.934 12.736 5.509 1.00 0.00 C ATOM 1337 C GLY A 94 20.925 12.196 6.500 1.00 0.00 C ATOM 1338 O GLY A 94 19.967 11.520 6.120 1.00 0.00 O ATOM 0 H GLY A 94 23.286 14.270 5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 94 21.525 12.658 4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 94 22.832 12.118 5.538 1.00 0.00 H new ATOM 1342 N ALA A 95 21.136 12.515 7.766 1.00 0.00 N ATOM 1343 CA ALA A 95 20.252 12.065 8.833 1.00 0.00 C ATOM 1344 C ALA A 95 18.863 12.669 8.678 1.00 0.00 C ATOM 1345 O ALA A 95 17.861 11.955 8.714 1.00 0.00 O ATOM 1346 CB ALA A 95 20.838 12.417 10.192 1.00 0.00 C ATOM 0 H ALA A 95 21.918 13.088 8.084 1.00 0.00 H new ATOM 0 HA ALA A 95 20.160 10.981 8.765 1.00 0.00 H new ATOM 0 HB1 ALA A 95 20.165 12.074 10.978 1.00 0.00 H new ATOM 0 HB2 ALA A 95 21.807 11.932 10.307 1.00 0.00 H new ATOM 0 HB3 ALA A 95 20.962 13.497 10.266 1.00 0.00 H new ATOM 1352 N CYS A 96 18.812 13.982 8.490 1.00 0.00 N ATOM 1353 CA CYS A 96 17.545 14.683 8.327 1.00 0.00 C ATOM 1354 C CYS A 96 16.781 14.162 7.115 1.00 0.00 C ATOM 1355 O CYS A 96 15.573 13.948 7.186 1.00 0.00 O ATOM 1356 CB CYS A 96 17.775 16.189 8.194 1.00 0.00 C ATOM 1357 SG CYS A 96 18.489 16.967 9.682 1.00 0.00 S ATOM 0 H CYS A 96 19.635 14.583 8.447 1.00 0.00 H new ATOM 0 HA CYS A 96 16.945 14.496 9.218 1.00 0.00 H new ATOM 0 HB2 CYS A 96 18.438 16.371 7.348 1.00 0.00 H new ATOM 0 HB3 CYS A 96 16.825 16.672 7.965 1.00 0.00 H new ATOM 1362 N LEU A 97 17.491 13.944 6.013 1.00 0.00 N ATOM 1363 CA LEU A 97 16.871 13.460 4.782 1.00 0.00 C ATOM 1364 C LEU A 97 16.275 12.069 5.013 1.00 0.00 C ATOM 1365 O LEU A 97 15.147 11.795 4.604 1.00 0.00 O ATOM 1366 CB LEU A 97 17.916 13.439 3.650 1.00 0.00 C ATOM 1367 CG LEU A 97 17.379 13.495 2.205 1.00 0.00 C ATOM 1368 CD1 LEU A 97 16.777 12.169 1.781 1.00 0.00 C ATOM 1369 CD2 LEU A 97 16.355 14.607 2.042 1.00 0.00 C ATOM 0 H LEU A 97 18.498 14.095 5.946 1.00 0.00 H new ATOM 0 HA LEU A 97 16.063 14.130 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 97 18.590 14.283 3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 97 18.513 12.533 3.756 1.00 0.00 H new ATOM 0 HG LEU A 97 18.230 13.706 1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 97 16.409 12.247 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 97 17.538 11.390 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 97 15.951 11.916 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 97 15.995 14.622 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 97 15.518 14.432 2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 97 16.818 15.565 2.278 1.00 0.00 H new ATOM 1381 N ARG A 98 17.035 11.214 5.695 1.00 0.00 N ATOM 1382 CA ARG A 98 16.593 9.871 6.048 1.00 0.00 C ATOM 1383 C ARG A 98 15.246 9.900 6.766 1.00 0.00 C ATOM 1384 O ARG A 98 14.279 9.278 6.324 1.00 0.00 O ATOM 1385 CB ARG A 98 17.649 9.255 6.956 1.00 0.00 C ATOM 1386 CG ARG A 98 17.360 7.840 7.403 1.00 0.00 C ATOM 1387 CD ARG A 98 18.316 7.448 8.507 1.00 0.00 C ATOM 1388 NE ARG A 98 17.875 7.939 9.813 1.00 0.00 N ATOM 1389 CZ ARG A 98 18.652 8.008 10.892 1.00 0.00 C ATOM 1390 NH1 ARG A 98 19.929 7.646 10.832 1.00 0.00 N ATOM 1391 NH2 ARG A 98 18.146 8.448 12.036 1.00 0.00 N ATOM 0 H ARG A 98 17.977 11.436 6.018 1.00 0.00 H new ATOM 0 HA ARG A 98 16.467 9.281 5.140 1.00 0.00 H new ATOM 0 HB2 ARG A 98 18.606 9.267 6.435 1.00 0.00 H new ATOM 0 HB3 ARG A 98 17.759 9.884 7.839 1.00 0.00 H new ATOM 0 HG2 ARG A 98 16.331 7.763 7.755 1.00 0.00 H new ATOM 0 HG3 ARG A 98 17.461 7.155 6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.407 6.362 8.540 1.00 0.00 H new ATOM 0 HD3 ARG A 98 19.307 7.844 8.286 1.00 0.00 H new ATOM 0 HE ARG A 98 16.907 8.249 9.903 1.00 0.00 H new ATOM 0 HH11 ARG A 98 20.323 7.311 9.953 1.00 0.00 H new ATOM 0 HH12 ARG A 98 20.515 7.703 11.665 1.00 0.00 H new ATOM 0 HH21 ARG A 98 17.167 8.731 12.085 1.00 0.00 H new ATOM 0 HH22 ARG A 98 18.735 8.503 12.867 1.00 0.00 H new ATOM 1405 N GLU A 99 15.200 10.634 7.870 1.00 0.00 N ATOM 1406 CA GLU A 99 13.994 10.738 8.684 1.00 0.00 C ATOM 1407 C GLU A 99 12.843 11.305 7.869 1.00 0.00 C ATOM 1408 O GLU A 99 11.764 10.715 7.799 1.00 0.00 O ATOM 1409 CB GLU A 99 14.249 11.647 9.883 1.00 0.00 C ATOM 1410 CG GLU A 99 15.462 11.255 10.702 1.00 0.00 C ATOM 1411 CD GLU A 99 15.279 9.941 11.428 1.00 0.00 C ATOM 1412 OE1 GLU A 99 15.540 8.880 10.826 1.00 0.00 O ATOM 1413 OE2 GLU A 99 14.883 9.962 12.608 1.00 0.00 O ATOM 0 H GLU A 99 15.991 11.171 8.225 1.00 0.00 H new ATOM 0 HA GLU A 99 13.730 9.738 9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.376 12.671 9.530 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.370 11.638 10.527 1.00 0.00 H new ATOM 0 HG2 GLU A 99 16.330 11.185 10.047 1.00 0.00 H new ATOM 0 HG3 GLU A 99 15.673 12.040 11.428 1.00 0.00 H new ATOM 1420 N SER A 100 13.100 12.450 7.250 1.00 0.00 N ATOM 1421 CA SER A 100 12.094 13.166 6.471 1.00 0.00 C ATOM 1422 C SER A 100 11.401 12.260 5.455 1.00 0.00 C ATOM 1423 O SER A 100 10.186 12.345 5.269 1.00 0.00 O ATOM 1424 CB SER A 100 12.742 14.352 5.759 1.00 0.00 C ATOM 1425 OG SER A 100 13.348 15.230 6.691 1.00 0.00 O ATOM 0 H SER A 100 14.010 12.909 7.273 1.00 0.00 H new ATOM 0 HA SER A 100 11.330 13.522 7.163 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.490 13.993 5.052 1.00 0.00 H new ATOM 0 HB3 SER A 100 11.990 14.890 5.182 1.00 0.00 H new ATOM 0 HG SER A 100 14.220 14.871 6.959 1.00 0.00 H new ATOM 1431 N MET A 101 12.172 11.387 4.812 1.00 0.00 N ATOM 1432 CA MET A 101 11.622 10.465 3.822 1.00 0.00 C ATOM 1433 C MET A 101 10.559 9.567 4.445 1.00 0.00 C ATOM 1434 O MET A 101 9.445 9.450 3.927 1.00 0.00 O ATOM 1435 CB MET A 101 12.728 9.603 3.210 1.00 0.00 C ATOM 1436 CG MET A 101 13.601 10.336 2.202 1.00 0.00 C ATOM 1437 SD MET A 101 12.737 10.705 0.661 1.00 0.00 S ATOM 1438 CE MET A 101 12.442 9.053 0.031 1.00 0.00 C ATOM 0 H MET A 101 13.178 11.299 4.958 1.00 0.00 H new ATOM 0 HA MET A 101 11.161 11.062 3.035 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.360 9.220 4.011 1.00 0.00 H new ATOM 0 HB3 MET A 101 12.274 8.741 2.722 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.956 11.266 2.645 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.481 9.731 1.983 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.285 9.097 -1.047 1.00 0.00 H new ATOM 0 HE2 MET A 101 13.304 8.422 0.246 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.557 8.634 0.510 1.00 0.00 H new ATOM 1448 N MET A 102 10.895 8.959 5.577 1.00 0.00 N ATOM 1449 CA MET A 102 10.001 8.023 6.231 1.00 0.00 C ATOM 1450 C MET A 102 8.858 8.767 6.921 1.00 0.00 C ATOM 1451 O MET A 102 7.740 8.260 7.011 1.00 0.00 O ATOM 1452 CB MET A 102 10.814 7.165 7.212 1.00 0.00 C ATOM 1453 CG MET A 102 10.393 7.273 8.664 1.00 0.00 C ATOM 1454 SD MET A 102 9.016 6.180 9.079 1.00 0.00 S ATOM 1455 CE MET A 102 9.754 4.568 8.822 1.00 0.00 C ATOM 0 H MET A 102 11.783 9.101 6.058 1.00 0.00 H new ATOM 0 HA MET A 102 9.543 7.362 5.495 1.00 0.00 H new ATOM 0 HB2 MET A 102 10.740 6.122 6.905 1.00 0.00 H new ATOM 0 HB3 MET A 102 11.864 7.447 7.133 1.00 0.00 H new ATOM 0 HG2 MET A 102 11.244 7.036 9.303 1.00 0.00 H new ATOM 0 HG3 MET A 102 10.110 8.303 8.880 1.00 0.00 H new ATOM 0 HE1 MET A 102 9.268 3.838 9.469 1.00 0.00 H new ATOM 0 HE2 MET A 102 9.627 4.272 7.781 1.00 0.00 H new ATOM 0 HE3 MET A 102 10.817 4.612 9.060 1.00 0.00 H new ATOM 1465 N GLN A 103 9.144 9.979 7.380 1.00 0.00 N ATOM 1466 CA GLN A 103 8.133 10.823 8.018 1.00 0.00 C ATOM 1467 C GLN A 103 7.070 11.283 7.026 1.00 0.00 C ATOM 1468 O GLN A 103 5.962 11.635 7.422 1.00 0.00 O ATOM 1469 CB GLN A 103 8.769 12.052 8.673 1.00 0.00 C ATOM 1470 CG GLN A 103 8.957 11.925 10.179 1.00 0.00 C ATOM 1471 CD GLN A 103 9.972 10.873 10.576 1.00 0.00 C ATOM 1472 OE1 GLN A 103 11.157 11.164 10.725 1.00 0.00 O ATOM 1473 NE2 GLN A 103 9.517 9.647 10.768 1.00 0.00 N ATOM 0 H GLN A 103 10.070 10.403 7.324 1.00 0.00 H new ATOM 0 HA GLN A 103 7.657 10.210 8.783 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.739 12.236 8.211 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.147 12.923 8.467 1.00 0.00 H new ATOM 0 HG2 GLN A 103 9.269 12.889 10.580 1.00 0.00 H new ATOM 0 HG3 GLN A 103 7.998 11.684 10.638 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.526 9.444 10.634 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.156 8.904 11.050 1.00 0.00 H new ATOM 1482 N ALA A 104 7.409 11.299 5.745 1.00 0.00 N ATOM 1483 CA ALA A 104 6.471 11.732 4.724 1.00 0.00 C ATOM 1484 C ALA A 104 5.352 10.713 4.537 1.00 0.00 C ATOM 1485 O ALA A 104 4.206 10.972 4.902 1.00 0.00 O ATOM 1486 CB ALA A 104 7.190 11.987 3.410 1.00 0.00 C ATOM 0 H ALA A 104 8.323 11.018 5.391 1.00 0.00 H new ATOM 0 HA ALA A 104 6.020 12.667 5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.470 12.310 2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.941 12.764 3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.675 11.070 3.077 1.00 0.00 H new ATOM 1492 N THR A 105 5.692 9.553 3.979 1.00 0.00 N ATOM 1493 CA THR A 105 4.709 8.505 3.730 1.00 0.00 C ATOM 1494 C THR A 105 5.344 7.313 3.013 1.00 0.00 C ATOM 1495 O THR A 105 5.042 6.159 3.317 1.00 0.00 O ATOM 1496 CB THR A 105 3.506 9.032 2.901 1.00 0.00 C ATOM 1497 OG1 THR A 105 2.537 7.997 2.709 1.00 0.00 O ATOM 1498 CG2 THR A 105 3.952 9.570 1.548 1.00 0.00 C ATOM 0 H THR A 105 6.642 9.317 3.691 1.00 0.00 H new ATOM 0 HA THR A 105 4.341 8.179 4.703 1.00 0.00 H new ATOM 0 HB THR A 105 3.056 9.850 3.464 1.00 0.00 H new ATOM 0 HG1 THR A 105 1.785 8.346 2.186 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.084 9.930 0.996 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.654 10.391 1.696 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.438 8.775 0.982 1.00 0.00 H new ATOM 1506 N GLY A 106 6.261 7.595 2.091 1.00 0.00 N ATOM 1507 CA GLY A 106 6.829 6.549 1.261 1.00 0.00 C ATOM 1508 C GLY A 106 8.041 5.888 1.881 1.00 0.00 C ATOM 1509 O GLY A 106 8.931 5.435 1.157 1.00 0.00 O ATOM 0 H GLY A 106 6.621 8.531 1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.068 5.792 1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.108 6.971 0.296 1.00 0.00 H new ATOM 1513 N SER A 107 8.065 5.818 3.217 1.00 0.00 N ATOM 1514 CA SER A 107 9.186 5.263 3.977 1.00 0.00 C ATOM 1515 C SER A 107 10.517 5.894 3.561 1.00 0.00 C ATOM 1516 O SER A 107 10.554 6.884 2.830 1.00 0.00 O ATOM 1517 CB SER A 107 9.230 3.725 3.878 1.00 0.00 C ATOM 1518 OG SER A 107 9.069 3.261 2.547 1.00 0.00 O ATOM 0 H SER A 107 7.299 6.148 3.804 1.00 0.00 H new ATOM 0 HA SER A 107 9.024 5.516 5.025 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.181 3.366 4.272 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.445 3.301 4.504 1.00 0.00 H new ATOM 0 HG SER A 107 9.395 3.941 1.922 1.00 0.00 H new ATOM 1524 N VAL A 108 11.607 5.347 4.058 1.00 0.00 N ATOM 1525 CA VAL A 108 12.913 5.871 3.742 1.00 0.00 C ATOM 1526 C VAL A 108 13.647 4.920 2.805 1.00 0.00 C ATOM 1527 O VAL A 108 14.138 3.861 3.207 1.00 0.00 O ATOM 1528 CB VAL A 108 13.722 6.164 5.024 1.00 0.00 C ATOM 1529 CG1 VAL A 108 13.640 5.004 6.003 1.00 0.00 C ATOM 1530 CG2 VAL A 108 15.164 6.506 4.694 1.00 0.00 C ATOM 0 H VAL A 108 11.611 4.540 4.682 1.00 0.00 H new ATOM 0 HA VAL A 108 12.793 6.823 3.224 1.00 0.00 H new ATOM 0 HB VAL A 108 13.277 7.034 5.507 1.00 0.00 H new ATOM 0 HG11 VAL A 108 14.219 5.240 6.896 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.599 4.834 6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.042 4.105 5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 108 15.710 6.708 5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 108 15.627 5.667 4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 108 15.192 7.389 4.055 1.00 0.00 H new ATOM 1540 N ASP A 109 13.665 5.300 1.537 1.00 0.00 N ATOM 1541 CA ASP A 109 14.275 4.497 0.483 1.00 0.00 C ATOM 1542 C ASP A 109 15.776 4.327 0.715 1.00 0.00 C ATOM 1543 O ASP A 109 16.391 5.082 1.468 1.00 0.00 O ATOM 1544 CB ASP A 109 14.017 5.153 -0.878 1.00 0.00 C ATOM 1545 CG ASP A 109 14.623 4.371 -2.025 1.00 0.00 C ATOM 1546 OD1 ASP A 109 14.588 3.127 -1.985 1.00 0.00 O ATOM 1547 OD2 ASP A 109 15.161 4.999 -2.952 1.00 0.00 O ATOM 0 H ASP A 109 13.257 6.175 1.207 1.00 0.00 H new ATOM 0 HA ASP A 109 13.823 3.505 0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.942 5.246 -1.034 1.00 0.00 H new ATOM 0 HB3 ASP A 109 14.428 6.163 -0.874 1.00 0.00 H new ATOM 1552 N ASN A 110 16.359 3.327 0.071 1.00 0.00 N ATOM 1553 CA ASN A 110 17.780 3.031 0.230 1.00 0.00 C ATOM 1554 C ASN A 110 18.553 3.340 -1.051 1.00 0.00 C ATOM 1555 O ASN A 110 19.778 3.225 -1.087 1.00 0.00 O ATOM 1556 CB ASN A 110 17.990 1.560 0.623 1.00 0.00 C ATOM 1557 CG ASN A 110 17.641 1.254 2.075 1.00 0.00 C ATOM 1558 OD1 ASN A 110 16.689 1.982 2.640 1.00 0.00 O flip ATOM 1559 ND2 ASN A 110 18.224 0.360 2.688 1.00 0.00 N flip ATOM 0 H ASN A 110 15.870 2.703 -0.570 1.00 0.00 H new ATOM 0 HA ASN A 110 18.161 3.668 1.028 1.00 0.00 H new ATOM 0 HB2 ASN A 110 17.383 0.930 -0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 110 19.031 1.291 0.445 1.00 0.00 H new ATOM 0 HD21 ASN A 110 18.953 -0.184 2.226 1.00 0.00 H new ATOM 0 HD22 ASN A 110 17.978 0.163 3.658 1.00 0.00 H new ATOM 1566 N ALA A 111 17.839 3.733 -2.101 1.00 0.00 N ATOM 1567 CA ALA A 111 18.470 4.055 -3.380 1.00 0.00 C ATOM 1568 C ALA A 111 18.516 5.564 -3.608 1.00 0.00 C ATOM 1569 O ALA A 111 19.594 6.145 -3.743 1.00 0.00 O ATOM 1570 CB ALA A 111 17.737 3.362 -4.519 1.00 0.00 C ATOM 0 H ALA A 111 16.824 3.837 -2.093 1.00 0.00 H new ATOM 0 HA ALA A 111 19.497 3.691 -3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 111 18.217 3.610 -5.465 1.00 0.00 H new ATOM 0 HB2 ALA A 111 17.768 2.283 -4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.699 3.695 -4.540 1.00 0.00 H new ATOM 1576 N PHE A 112 17.345 6.193 -3.632 1.00 0.00 N ATOM 1577 CA PHE A 112 17.233 7.638 -3.809 1.00 0.00 C ATOM 1578 C PHE A 112 18.041 8.357 -2.743 1.00 0.00 C ATOM 1579 O PHE A 112 18.902 9.185 -3.045 1.00 0.00 O ATOM 1580 CB PHE A 112 15.758 8.060 -3.727 1.00 0.00 C ATOM 1581 CG PHE A 112 15.538 9.549 -3.717 1.00 0.00 C ATOM 1582 CD1 PHE A 112 15.430 10.255 -4.905 1.00 0.00 C ATOM 1583 CD2 PHE A 112 15.433 10.244 -2.518 1.00 0.00 C ATOM 1584 CE1 PHE A 112 15.225 11.621 -4.899 1.00 0.00 C ATOM 1585 CE2 PHE A 112 15.229 11.609 -2.509 1.00 0.00 C ATOM 1586 CZ PHE A 112 15.126 12.298 -3.700 1.00 0.00 C ATOM 0 H PHE A 112 16.449 5.717 -3.530 1.00 0.00 H new ATOM 0 HA PHE A 112 17.626 7.908 -4.789 1.00 0.00 H new ATOM 0 HB2 PHE A 112 15.222 7.631 -4.574 1.00 0.00 H new ATOM 0 HB3 PHE A 112 15.320 7.634 -2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.507 9.731 -5.846 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.512 9.710 -1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 112 15.142 12.159 -5.832 1.00 0.00 H new ATOM 0 HE2 PHE A 112 15.150 12.137 -1.570 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.968 13.366 -3.694 1.00 0.00 H new ATOM 1596 N THR A 113 17.757 8.009 -1.498 1.00 0.00 N ATOM 1597 CA THR A 113 18.416 8.580 -0.339 1.00 0.00 C ATOM 1598 C THR A 113 19.933 8.361 -0.387 1.00 0.00 C ATOM 1599 O THR A 113 20.702 9.111 0.209 1.00 0.00 O ATOM 1600 CB THR A 113 17.840 7.921 0.920 1.00 0.00 C ATOM 1601 OG1 THR A 113 16.478 7.551 0.667 1.00 0.00 O ATOM 1602 CG2 THR A 113 17.876 8.861 2.106 1.00 0.00 C ATOM 0 H THR A 113 17.051 7.311 -1.263 1.00 0.00 H new ATOM 0 HA THR A 113 18.239 9.655 -0.329 1.00 0.00 H new ATOM 0 HB THR A 113 18.447 7.047 1.156 1.00 0.00 H new ATOM 0 HG1 THR A 113 16.256 6.748 1.183 1.00 0.00 H new ATOM 0 HG21 THR A 113 17.460 8.360 2.980 1.00 0.00 H new ATOM 0 HG22 THR A 113 18.907 9.150 2.310 1.00 0.00 H new ATOM 0 HG23 THR A 113 17.287 9.751 1.883 1.00 0.00 H new ATOM 1610 N ASN A 114 20.347 7.332 -1.116 1.00 0.00 N ATOM 1611 CA ASN A 114 21.756 6.978 -1.228 1.00 0.00 C ATOM 1612 C ASN A 114 22.443 7.771 -2.334 1.00 0.00 C ATOM 1613 O ASN A 114 23.496 8.371 -2.109 1.00 0.00 O ATOM 1614 CB ASN A 114 21.883 5.470 -1.474 1.00 0.00 C ATOM 1615 CG ASN A 114 23.232 5.050 -2.032 1.00 0.00 C ATOM 1616 OD1 ASN A 114 24.199 4.888 -1.287 1.00 0.00 O ATOM 1617 ND2 ASN A 114 23.289 4.830 -3.338 1.00 0.00 N ATOM 0 H ASN A 114 19.720 6.723 -1.643 1.00 0.00 H new ATOM 0 HA ASN A 114 22.257 7.233 -0.294 1.00 0.00 H new ATOM 0 HB2 ASN A 114 21.708 4.943 -0.536 1.00 0.00 H new ATOM 0 HB3 ASN A 114 21.101 5.157 -2.166 1.00 0.00 H new ATOM 0 HD21 ASN A 114 24.160 4.513 -3.764 1.00 0.00 H new ATOM 0 HD22 ASN A 114 22.462 4.978 -3.917 1.00 0.00 H new ATOM 1624 N GLU A 115 21.844 7.792 -3.521 1.00 0.00 N ATOM 1625 CA GLU A 115 22.426 8.460 -4.649 1.00 0.00 C ATOM 1626 C GLU A 115 22.467 9.970 -4.435 1.00 0.00 C ATOM 1627 O GLU A 115 23.473 10.614 -4.738 1.00 0.00 O ATOM 1628 CB GLU A 115 21.635 8.121 -5.901 1.00 0.00 C ATOM 1629 CG GLU A 115 22.263 8.704 -7.127 1.00 0.00 C ATOM 1630 CD GLU A 115 21.562 8.313 -8.405 1.00 0.00 C ATOM 1631 OE1 GLU A 115 21.766 7.171 -8.867 1.00 0.00 O ATOM 1632 OE2 GLU A 115 20.818 9.143 -8.959 1.00 0.00 O ATOM 0 H GLU A 115 20.947 7.345 -3.713 1.00 0.00 H new ATOM 0 HA GLU A 115 23.454 8.116 -4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.567 7.038 -6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 115 20.616 8.496 -5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 115 22.267 9.791 -7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 115 23.304 8.384 -7.180 1.00 0.00 H new ATOM 1639 N VAL A 116 21.383 10.532 -3.901 1.00 0.00 N ATOM 1640 CA VAL A 116 21.331 11.967 -3.644 1.00 0.00 C ATOM 1641 C VAL A 116 22.434 12.358 -2.662 1.00 0.00 C ATOM 1642 O VAL A 116 23.098 13.375 -2.837 1.00 0.00 O ATOM 1643 CB VAL A 116 19.941 12.419 -3.110 1.00 0.00 C ATOM 1644 CG1 VAL A 116 19.663 11.893 -1.708 1.00 0.00 C ATOM 1645 CG2 VAL A 116 19.817 13.934 -3.144 1.00 0.00 C ATOM 0 H VAL A 116 20.539 10.021 -3.641 1.00 0.00 H new ATOM 0 HA VAL A 116 21.490 12.479 -4.593 1.00 0.00 H new ATOM 0 HB VAL A 116 19.190 11.989 -3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 116 18.682 12.235 -1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 116 19.683 10.803 -1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 116 20.425 12.264 -1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 116 18.838 14.227 -2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 116 20.594 14.377 -2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 116 19.931 14.285 -4.170 1.00 0.00 H new ATOM 1655 N MET A 117 22.657 11.509 -1.664 1.00 0.00 N ATOM 1656 CA MET A 117 23.696 11.740 -0.671 1.00 0.00 C ATOM 1657 C MET A 117 25.074 11.809 -1.322 1.00 0.00 C ATOM 1658 O MET A 117 25.835 12.753 -1.090 1.00 0.00 O ATOM 1659 CB MET A 117 23.672 10.638 0.392 1.00 0.00 C ATOM 1660 CG MET A 117 22.996 11.033 1.700 1.00 0.00 C ATOM 1661 SD MET A 117 23.955 12.215 2.683 1.00 0.00 S ATOM 1662 CE MET A 117 23.454 13.783 1.980 1.00 0.00 C ATOM 0 H MET A 117 22.127 10.649 -1.523 1.00 0.00 H new ATOM 0 HA MET A 117 23.496 12.699 -0.194 1.00 0.00 H new ATOM 0 HB2 MET A 117 23.160 9.767 -0.018 1.00 0.00 H new ATOM 0 HB3 MET A 117 24.697 10.334 0.605 1.00 0.00 H new ATOM 0 HG2 MET A 117 22.020 11.464 1.479 1.00 0.00 H new ATOM 0 HG3 MET A 117 22.821 10.136 2.294 1.00 0.00 H new ATOM 0 HE1 MET A 117 23.486 14.554 2.750 1.00 0.00 H new ATOM 0 HE2 MET A 117 24.132 14.051 1.169 1.00 0.00 H new ATOM 0 HE3 MET A 117 22.439 13.700 1.592 1.00 0.00 H new ATOM 1672 N GLN A 118 25.373 10.814 -2.152 1.00 0.00 N ATOM 1673 CA GLN A 118 26.662 10.727 -2.831 1.00 0.00 C ATOM 1674 C GLN A 118 26.847 11.894 -3.797 1.00 0.00 C ATOM 1675 O GLN A 118 27.909 12.521 -3.834 1.00 0.00 O ATOM 1676 CB GLN A 118 26.769 9.395 -3.581 1.00 0.00 C ATOM 1677 CG GLN A 118 28.059 9.226 -4.370 1.00 0.00 C ATOM 1678 CD GLN A 118 28.147 7.873 -5.045 1.00 0.00 C ATOM 1679 OE1 GLN A 118 27.694 7.697 -6.176 1.00 0.00 O ATOM 1680 NE2 GLN A 118 28.735 6.908 -4.358 1.00 0.00 N ATOM 0 H GLN A 118 24.734 10.050 -2.372 1.00 0.00 H new ATOM 0 HA GLN A 118 27.452 10.778 -2.081 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.686 8.579 -2.863 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.924 9.306 -4.264 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.127 10.011 -5.124 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.910 9.352 -3.701 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.097 7.095 -3.423 1.00 0.00 H new ATOM 0 HE22 GLN A 118 28.826 5.976 -4.763 1.00 0.00 H new ATOM 1689 N LEU A 119 25.802 12.189 -4.561 1.00 0.00 N ATOM 1690 CA LEU A 119 25.849 13.268 -5.535 1.00 0.00 C ATOM 1691 C LEU A 119 26.092 14.617 -4.867 1.00 0.00 C ATOM 1692 O LEU A 119 26.920 15.390 -5.340 1.00 0.00 O ATOM 1693 CB LEU A 119 24.563 13.300 -6.360 1.00 0.00 C ATOM 1694 CG LEU A 119 24.526 12.334 -7.544 1.00 0.00 C ATOM 1695 CD1 LEU A 119 23.093 12.110 -8.002 1.00 0.00 C ATOM 1696 CD2 LEU A 119 25.357 12.884 -8.692 1.00 0.00 C ATOM 0 H LEU A 119 24.911 11.694 -4.523 1.00 0.00 H new ATOM 0 HA LEU A 119 26.689 13.076 -6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 119 23.723 13.076 -5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 119 24.415 14.313 -6.733 1.00 0.00 H new ATOM 0 HG LEU A 119 24.945 11.379 -7.226 1.00 0.00 H new ATOM 0 HD11 LEU A 119 23.084 11.420 -8.846 1.00 0.00 H new ATOM 0 HD12 LEU A 119 22.511 11.689 -7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 119 22.656 13.061 -8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 119 25.324 12.189 -9.531 1.00 0.00 H new ATOM 0 HD22 LEU A 119 24.954 13.848 -9.004 1.00 0.00 H new ATOM 0 HD23 LEU A 119 26.389 13.011 -8.366 1.00 0.00 H new ATOM 1708 N VAL A 120 25.392 14.893 -3.764 1.00 0.00 N ATOM 1709 CA VAL A 120 25.594 16.148 -3.038 1.00 0.00 C ATOM 1710 C VAL A 120 27.069 16.340 -2.701 1.00 0.00 C ATOM 1711 O VAL A 120 27.648 17.378 -3.007 1.00 0.00 O ATOM 1712 CB VAL A 120 24.769 16.220 -1.731 1.00 0.00 C ATOM 1713 CG1 VAL A 120 25.106 17.481 -0.952 1.00 0.00 C ATOM 1714 CG2 VAL A 120 23.282 16.183 -2.027 1.00 0.00 C ATOM 0 H VAL A 120 24.690 14.274 -3.359 1.00 0.00 H new ATOM 0 HA VAL A 120 25.250 16.943 -3.700 1.00 0.00 H new ATOM 0 HB VAL A 120 25.028 15.351 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 120 24.515 17.512 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 120 26.166 17.480 -0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 120 24.879 18.356 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 120 22.724 16.235 -1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 120 23.015 17.032 -2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 120 23.037 15.256 -2.545 1.00 0.00 H new ATOM 1724 N LYS A 121 27.672 15.324 -2.084 1.00 0.00 N ATOM 1725 CA LYS A 121 29.090 15.360 -1.732 1.00 0.00 C ATOM 1726 C LYS A 121 29.964 15.616 -2.954 1.00 0.00 C ATOM 1727 O LYS A 121 30.810 16.504 -2.944 1.00 0.00 O ATOM 1728 CB LYS A 121 29.508 14.045 -1.065 1.00 0.00 C ATOM 1729 CG LYS A 121 29.279 13.988 0.441 1.00 0.00 C ATOM 1730 CD LYS A 121 27.840 14.294 0.842 1.00 0.00 C ATOM 1731 CE LYS A 121 27.626 15.778 1.116 1.00 0.00 C ATOM 1732 NZ LYS A 121 26.312 16.039 1.765 1.00 0.00 N ATOM 0 H LYS A 121 27.197 14.462 -1.817 1.00 0.00 H new ATOM 0 HA LYS A 121 29.233 16.183 -1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 121 28.960 13.227 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 121 30.566 13.874 -1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 121 29.548 12.997 0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 121 29.945 14.699 0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 121 27.166 13.971 0.048 1.00 0.00 H new ATOM 0 HD3 LYS A 121 27.582 13.720 1.732 1.00 0.00 H new ATOM 0 HE2 LYS A 121 28.427 16.148 1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 121 27.685 16.332 0.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 26.205 17.060 1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 25.546 15.709 1.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 26.265 15.531 2.671 1.00 0.00 H new ATOM 1746 N MET A 122 29.737 14.855 -4.008 1.00 0.00 N ATOM 1747 CA MET A 122 30.563 14.937 -5.206 1.00 0.00 C ATOM 1748 C MET A 122 30.398 16.280 -5.918 1.00 0.00 C ATOM 1749 O MET A 122 31.330 16.781 -6.548 1.00 0.00 O ATOM 1750 CB MET A 122 30.212 13.779 -6.144 1.00 0.00 C ATOM 1751 CG MET A 122 31.016 13.746 -7.434 1.00 0.00 C ATOM 1752 SD MET A 122 30.621 12.310 -8.455 1.00 0.00 S ATOM 1753 CE MET A 122 28.851 12.508 -8.659 1.00 0.00 C ATOM 0 H MET A 122 28.984 14.169 -4.062 1.00 0.00 H new ATOM 0 HA MET A 122 31.609 14.861 -4.909 1.00 0.00 H new ATOM 0 HB2 MET A 122 30.363 12.839 -5.613 1.00 0.00 H new ATOM 0 HB3 MET A 122 29.152 13.838 -6.393 1.00 0.00 H new ATOM 0 HG2 MET A 122 30.824 14.656 -8.002 1.00 0.00 H new ATOM 0 HG3 MET A 122 32.080 13.738 -7.196 1.00 0.00 H new ATOM 0 HE1 MET A 122 28.546 12.087 -9.617 1.00 0.00 H new ATOM 0 HE2 MET A 122 28.332 11.990 -7.853 1.00 0.00 H new ATOM 0 HE3 MET A 122 28.598 13.568 -8.631 1.00 0.00 H new ATOM 1763 N LEU A 123 29.223 16.872 -5.796 1.00 0.00 N ATOM 1764 CA LEU A 123 28.943 18.148 -6.441 1.00 0.00 C ATOM 1765 C LEU A 123 29.310 19.325 -5.537 1.00 0.00 C ATOM 1766 O LEU A 123 29.131 20.481 -5.915 1.00 0.00 O ATOM 1767 CB LEU A 123 27.463 18.227 -6.827 1.00 0.00 C ATOM 1768 CG LEU A 123 26.982 17.160 -7.817 1.00 0.00 C ATOM 1769 CD1 LEU A 123 25.468 17.199 -7.955 1.00 0.00 C ATOM 1770 CD2 LEU A 123 27.640 17.351 -9.174 1.00 0.00 C ATOM 0 H LEU A 123 28.445 16.491 -5.257 1.00 0.00 H new ATOM 0 HA LEU A 123 29.557 18.210 -7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 123 26.864 18.152 -5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 123 27.269 19.210 -7.256 1.00 0.00 H new ATOM 0 HG LEU A 123 27.269 16.183 -7.428 1.00 0.00 H new ATOM 0 HD11 LEU A 123 25.147 16.434 -8.662 1.00 0.00 H new ATOM 0 HD12 LEU A 123 25.009 17.011 -6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 123 25.161 18.180 -8.318 1.00 0.00 H new ATOM 0 HD21 LEU A 123 27.285 16.584 -9.862 1.00 0.00 H new ATOM 0 HD22 LEU A 123 27.386 18.336 -9.566 1.00 0.00 H new ATOM 0 HD23 LEU A 123 28.722 17.271 -9.068 1.00 0.00 H new ATOM 1782 N SER A 124 29.831 19.041 -4.349 1.00 0.00 N ATOM 1783 CA SER A 124 30.167 20.110 -3.409 1.00 0.00 C ATOM 1784 C SER A 124 31.625 20.050 -2.978 1.00 0.00 C ATOM 1785 O SER A 124 32.240 21.079 -2.695 1.00 0.00 O ATOM 1786 CB SER A 124 29.255 20.060 -2.181 1.00 0.00 C ATOM 1787 OG SER A 124 29.277 18.780 -1.578 1.00 0.00 O ATOM 0 H SER A 124 30.028 18.098 -4.015 1.00 0.00 H new ATOM 0 HA SER A 124 30.011 21.055 -3.930 1.00 0.00 H new ATOM 0 HB2 SER A 124 29.573 20.811 -1.458 1.00 0.00 H new ATOM 0 HB3 SER A 124 28.235 20.310 -2.472 1.00 0.00 H new ATOM 0 HG SER A 124 28.575 18.221 -1.971 1.00 0.00 H new ATOM 1793 N ALA A 125 32.178 18.851 -2.923 1.00 0.00 N ATOM 1794 CA ALA A 125 33.553 18.677 -2.511 1.00 0.00 C ATOM 1795 C ALA A 125 34.502 19.080 -3.619 1.00 0.00 C ATOM 1796 O ALA A 125 34.909 18.268 -4.449 1.00 0.00 O ATOM 1797 CB ALA A 125 33.812 17.256 -2.082 1.00 0.00 C ATOM 0 H ALA A 125 31.693 17.985 -3.159 1.00 0.00 H new ATOM 0 HA ALA A 125 33.731 19.328 -1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 125 34.853 17.152 -1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 125 33.162 17.005 -1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 125 33.609 16.582 -2.914 1.00 0.00 H new