USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 672 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 71 THR OG1 : rot 172:sc= 0.509 USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 74 HIS : no HE2:sc= -0.0745 K(o=0.43,f=-3.7!) USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= 0.405 USER MOD Set 2.2: A 57 GLN : amide:sc= 0.0945 K(o=0.5,f=-0.14) USER MOD Set 3.1: A 21 ASN : amide:sc= 0.531 K(o=0.53,f=-4.2!) USER MOD Set 3.2: A 23 MET CE :methyl -178:sc= 0 (180deg=-0.00922) USER MOD Set 4.1: A 2 GLN : amide:sc= 1.85 K(o=4.8,f=2.3) USER MOD Set 4.2: A 14 THR OG1 : rot 178:sc= 1.23 USER MOD Set 4.3: A 79 THR OG1 : rot 43:sc= 1.75 USER MOD Single : A 1 ALA N :NH3+ 148:sc= 0.00116 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0744 USER MOD Single : A 5 GLN : amide:sc= 0.452 K(o=0.45,f=-0.64) USER MOD Single : A 8 ASN : amide:sc= 0.37 K(o=0.37,f=-1.2) USER MOD Single : A 9 GLN : amide:sc= 0.85 K(o=0.85,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.756 K(o=0.76,f=-0.33) USER MOD Single : A 20 THR OG1 : rot 117:sc= 1 USER MOD Single : A 24 MET CE :methyl 177:sc= 0 (180deg=-0.0154) USER MOD Single : A 26 SER OG : rot 65:sc= 1.25 USER MOD Single : A 27 MET CE :methyl -174:sc= 0 (180deg=-0.0454) USER MOD Single : A 30 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.17) USER MOD Single : A 31 GLN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.0363 X(o=-0.036,f=-0.52) USER MOD Single : A 45 HIS : no HE2:sc= 0.926 K(o=0.93,f=-3.3!) USER MOD Single : A 53 THR OG1 : rot 76:sc= 0.663 USER MOD Single : A 58 SER OG : rot 49:sc= -0.207 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 62 LYS NZ :NH3+ -151:sc= 1.74 (180deg=1.27) USER MOD Single : A 66 GLN : amide:sc= 0.416 K(o=0.42,f=-3.3!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -133:sc= 0 (180deg=-0.773) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.324 -7.970 -2.326 1.00 0.00 N ATOM 2 CA ALA A 1 5.961 -6.563 -2.052 1.00 0.00 C ATOM 3 C ALA A 1 7.156 -5.829 -1.439 1.00 0.00 C ATOM 4 O ALA A 1 7.764 -6.319 -0.482 1.00 0.00 O ATOM 5 CB ALA A 1 4.726 -6.453 -1.140 1.00 0.00 C ATOM 0 H1 ALA A 1 5.484 -8.573 -2.214 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.682 -8.053 -3.299 1.00 0.00 H new ATOM 0 H3 ALA A 1 7.061 -8.275 -1.659 1.00 0.00 H new ATOM 0 HA ALA A 1 5.698 -6.093 -3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.495 -5.402 -0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.875 -6.936 -1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.932 -6.943 -0.188 1.00 0.00 H new ATOM 13 N GLN A 2 7.510 -4.661 -1.992 1.00 0.00 N ATOM 14 CA GLN A 2 8.604 -3.831 -1.488 1.00 0.00 C ATOM 15 C GLN A 2 8.364 -3.462 -0.021 1.00 0.00 C ATOM 16 O GLN A 2 7.279 -3.000 0.344 1.00 0.00 O ATOM 17 CB GLN A 2 8.826 -2.614 -2.398 1.00 0.00 C ATOM 18 CG GLN A 2 7.624 -1.674 -2.574 1.00 0.00 C ATOM 19 CD GLN A 2 7.883 -0.718 -3.732 1.00 0.00 C ATOM 20 OE1 GLN A 2 7.397 -0.938 -4.839 1.00 0.00 O ATOM 21 NE2 GLN A 2 8.674 0.327 -3.550 1.00 0.00 N ATOM 0 H GLN A 2 7.040 -4.266 -2.807 1.00 0.00 H new ATOM 0 HA GLN A 2 9.533 -4.401 -1.513 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.659 -2.035 -1.999 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.129 -2.972 -3.382 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.721 -2.254 -2.764 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.453 -1.111 -1.656 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.076 0.508 -2.630 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.881 0.952 -4.329 1.00 0.00 H new ATOM 30 N THR A 3 9.366 -3.713 0.818 1.00 0.00 N ATOM 31 CA THR A 3 9.314 -3.448 2.247 1.00 0.00 C ATOM 32 C THR A 3 9.389 -1.942 2.520 1.00 0.00 C ATOM 33 O THR A 3 9.865 -1.169 1.689 1.00 0.00 O ATOM 34 CB THR A 3 10.451 -4.234 2.937 1.00 0.00 C ATOM 35 OG1 THR A 3 11.641 -4.236 2.160 1.00 0.00 O ATOM 36 CG2 THR A 3 10.045 -5.700 3.134 1.00 0.00 C ATOM 0 H THR A 3 10.253 -4.114 0.514 1.00 0.00 H new ATOM 0 HA THR A 3 8.364 -3.786 2.661 1.00 0.00 H new ATOM 0 HB THR A 3 10.631 -3.739 3.891 1.00 0.00 H new ATOM 0 HG1 THR A 3 12.337 -4.741 2.630 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.857 -6.240 3.621 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.151 -5.750 3.756 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.838 -6.154 2.165 1.00 0.00 H new ATOM 44 N GLU A 4 8.936 -1.530 3.702 1.00 0.00 N ATOM 45 CA GLU A 4 8.865 -0.143 4.136 1.00 0.00 C ATOM 46 C GLU A 4 9.247 -0.123 5.620 1.00 0.00 C ATOM 47 O GLU A 4 9.123 -1.145 6.304 1.00 0.00 O ATOM 48 CB GLU A 4 7.433 0.361 3.875 1.00 0.00 C ATOM 49 CG GLU A 4 7.167 1.824 4.248 1.00 0.00 C ATOM 50 CD GLU A 4 8.009 2.816 3.442 1.00 0.00 C ATOM 51 OE1 GLU A 4 9.235 2.905 3.673 1.00 0.00 O ATOM 52 OE2 GLU A 4 7.446 3.553 2.603 1.00 0.00 O ATOM 0 H GLU A 4 8.596 -2.182 4.409 1.00 0.00 H new ATOM 0 HA GLU A 4 9.545 0.517 3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.207 0.228 2.817 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.738 -0.269 4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.111 2.045 4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.370 1.964 5.310 1.00 0.00 H new ATOM 59 N GLN A 5 9.749 1.006 6.117 1.00 0.00 N ATOM 60 CA GLN A 5 10.326 1.146 7.455 1.00 0.00 C ATOM 61 C GLN A 5 10.020 2.550 8.004 1.00 0.00 C ATOM 62 O GLN A 5 9.578 3.414 7.243 1.00 0.00 O ATOM 63 CB GLN A 5 11.858 0.937 7.362 1.00 0.00 C ATOM 64 CG GLN A 5 12.320 -0.495 7.069 1.00 0.00 C ATOM 65 CD GLN A 5 12.054 -1.440 8.242 1.00 0.00 C ATOM 66 OE1 GLN A 5 12.883 -1.598 9.133 1.00 0.00 O ATOM 67 NE2 GLN A 5 10.906 -2.095 8.270 1.00 0.00 N ATOM 0 H GLN A 5 9.766 1.876 5.584 1.00 0.00 H new ATOM 0 HA GLN A 5 9.895 0.404 8.127 1.00 0.00 H new ATOM 0 HB2 GLN A 5 12.248 1.591 6.582 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.307 1.258 8.302 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.806 -0.866 6.182 1.00 0.00 H new ATOM 0 HG3 GLN A 5 13.386 -0.492 6.842 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.222 -1.958 7.526 1.00 0.00 H new ATOM 0 HE22 GLN A 5 10.704 -2.737 9.036 1.00 0.00 H new ATOM 76 N PRO A 6 10.296 2.828 9.292 1.00 0.00 N ATOM 77 CA PRO A 6 10.570 4.193 9.737 1.00 0.00 C ATOM 78 C PRO A 6 11.795 4.763 8.985 1.00 0.00 C ATOM 79 O PRO A 6 12.550 3.993 8.380 1.00 0.00 O ATOM 80 CB PRO A 6 10.799 4.090 11.249 1.00 0.00 C ATOM 81 CG PRO A 6 11.290 2.656 11.445 1.00 0.00 C ATOM 82 CD PRO A 6 10.526 1.879 10.375 1.00 0.00 C ATOM 0 HA PRO A 6 9.751 4.880 9.524 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.536 4.816 11.593 1.00 0.00 H new ATOM 0 HB3 PRO A 6 9.882 4.279 11.807 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.368 2.577 11.308 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.068 2.287 12.446 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.101 1.020 10.028 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.584 1.495 10.767 1.00 0.00 H new ATOM 90 N PRO A 7 12.018 6.092 9.010 1.00 0.00 N ATOM 91 CA PRO A 7 13.113 6.738 8.294 1.00 0.00 C ATOM 92 C PRO A 7 14.471 6.052 8.476 1.00 0.00 C ATOM 93 O PRO A 7 14.874 5.720 9.594 1.00 0.00 O ATOM 94 CB PRO A 7 13.120 8.196 8.763 1.00 0.00 C ATOM 95 CG PRO A 7 11.651 8.447 9.092 1.00 0.00 C ATOM 96 CD PRO A 7 11.182 7.101 9.647 1.00 0.00 C ATOM 0 HA PRO A 7 12.948 6.666 7.219 1.00 0.00 H new ATOM 0 HB2 PRO A 7 13.760 8.339 9.633 1.00 0.00 H new ATOM 0 HB3 PRO A 7 13.482 8.870 7.987 1.00 0.00 H new ATOM 0 HG2 PRO A 7 11.533 9.247 9.823 1.00 0.00 H new ATOM 0 HG3 PRO A 7 11.084 8.737 8.207 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.288 7.068 10.731 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.128 6.933 9.424 1.00 0.00 H new ATOM 104 N ASN A 8 15.189 5.878 7.363 1.00 0.00 N ATOM 105 CA ASN A 8 16.528 5.301 7.285 1.00 0.00 C ATOM 106 C ASN A 8 17.262 6.007 6.145 1.00 0.00 C ATOM 107 O ASN A 8 16.642 6.338 5.138 1.00 0.00 O ATOM 108 CB ASN A 8 16.456 3.787 7.004 1.00 0.00 C ATOM 109 CG ASN A 8 17.843 3.224 6.710 1.00 0.00 C ATOM 110 OD1 ASN A 8 18.803 3.499 7.420 1.00 0.00 O ATOM 111 ND2 ASN A 8 17.991 2.491 5.624 1.00 0.00 N ATOM 0 H ASN A 8 14.831 6.150 6.447 1.00 0.00 H new ATOM 0 HA ASN A 8 17.051 5.436 8.232 1.00 0.00 H new ATOM 0 HB2 ASN A 8 16.025 3.273 7.863 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.796 3.601 6.157 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.915 2.144 5.365 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.182 2.271 5.043 1.00 0.00 H new ATOM 118 N GLN A 9 18.575 6.213 6.283 1.00 0.00 N ATOM 119 CA GLN A 9 19.413 6.961 5.342 1.00 0.00 C ATOM 120 C GLN A 9 19.646 6.256 3.989 1.00 0.00 C ATOM 121 O GLN A 9 20.504 6.691 3.218 1.00 0.00 O ATOM 122 CB GLN A 9 20.729 7.364 6.033 1.00 0.00 C ATOM 123 CG GLN A 9 21.694 6.191 6.274 1.00 0.00 C ATOM 124 CD GLN A 9 22.985 6.637 6.961 1.00 0.00 C ATOM 125 OE1 GLN A 9 23.263 6.261 8.096 1.00 0.00 O ATOM 126 NE2 GLN A 9 23.807 7.430 6.293 1.00 0.00 N ATOM 0 H GLN A 9 19.101 5.852 7.079 1.00 0.00 H new ATOM 0 HA GLN A 9 18.860 7.860 5.069 1.00 0.00 H new ATOM 0 HB2 GLN A 9 21.232 8.115 5.424 1.00 0.00 H new ATOM 0 HB3 GLN A 9 20.497 7.832 6.989 1.00 0.00 H new ATOM 0 HG2 GLN A 9 21.200 5.437 6.887 1.00 0.00 H new ATOM 0 HG3 GLN A 9 21.936 5.720 5.321 1.00 0.00 H new ATOM 0 HE21 GLN A 9 23.566 7.736 5.350 1.00 0.00 H new ATOM 0 HE22 GLN A 9 24.681 7.735 6.721 1.00 0.00 H new ATOM 135 N ILE A 10 18.936 5.164 3.694 1.00 0.00 N ATOM 136 CA ILE A 10 19.014 4.444 2.430 1.00 0.00 C ATOM 137 C ILE A 10 17.567 4.178 2.019 1.00 0.00 C ATOM 138 O ILE A 10 16.716 3.860 2.856 1.00 0.00 O ATOM 139 CB ILE A 10 19.855 3.143 2.540 1.00 0.00 C ATOM 140 CG1 ILE A 10 21.211 3.391 3.247 1.00 0.00 C ATOM 141 CG2 ILE A 10 20.085 2.528 1.143 1.00 0.00 C ATOM 142 CD1 ILE A 10 22.141 2.174 3.315 1.00 0.00 C ATOM 0 H ILE A 10 18.274 4.749 4.349 1.00 0.00 H new ATOM 0 HA ILE A 10 19.534 5.030 1.672 1.00 0.00 H new ATOM 0 HB ILE A 10 19.288 2.439 3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.731 4.197 2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 10 21.016 3.737 4.262 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.676 1.617 1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 10 19.124 2.290 0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.618 3.242 0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 10 23.063 2.449 3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.648 1.370 3.861 1.00 0.00 H new ATOM 0 HD13 ILE A 10 22.374 1.837 2.305 1.00 0.00 H new ATOM 154 N LEU A 11 17.297 4.293 0.724 1.00 0.00 N ATOM 155 CA LEU A 11 15.985 4.184 0.111 1.00 0.00 C ATOM 156 C LEU A 11 16.066 3.106 -0.962 1.00 0.00 C ATOM 157 O LEU A 11 17.124 2.918 -1.568 1.00 0.00 O ATOM 158 CB LEU A 11 15.586 5.526 -0.537 1.00 0.00 C ATOM 159 CG LEU A 11 15.597 6.762 0.384 1.00 0.00 C ATOM 160 CD1 LEU A 11 15.267 8.029 -0.413 1.00 0.00 C ATOM 161 CD2 LEU A 11 14.602 6.593 1.532 1.00 0.00 C ATOM 0 H LEU A 11 18.030 4.475 0.039 1.00 0.00 H new ATOM 0 HA LEU A 11 15.238 3.930 0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.260 5.716 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.585 5.420 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 11 16.598 6.860 0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.279 8.892 0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.009 8.168 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.278 7.930 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.627 7.477 2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.598 6.466 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.870 5.715 2.120 1.00 0.00 H new ATOM 173 N PHE A 12 14.942 2.453 -1.232 1.00 0.00 N ATOM 174 CA PHE A 12 14.749 1.531 -2.339 1.00 0.00 C ATOM 175 C PHE A 12 13.588 2.088 -3.144 1.00 0.00 C ATOM 176 O PHE A 12 12.602 2.552 -2.564 1.00 0.00 O ATOM 177 CB PHE A 12 14.428 0.127 -1.820 1.00 0.00 C ATOM 178 CG PHE A 12 14.043 -0.843 -2.922 1.00 0.00 C ATOM 179 CD1 PHE A 12 15.008 -1.261 -3.857 1.00 0.00 C ATOM 180 CD2 PHE A 12 12.718 -1.303 -3.042 1.00 0.00 C ATOM 181 CE1 PHE A 12 14.669 -2.167 -4.875 1.00 0.00 C ATOM 182 CE2 PHE A 12 12.382 -2.225 -4.048 1.00 0.00 C ATOM 183 CZ PHE A 12 13.354 -2.658 -4.967 1.00 0.00 C ATOM 0 H PHE A 12 14.105 2.558 -0.659 1.00 0.00 H new ATOM 0 HA PHE A 12 15.648 1.441 -2.949 1.00 0.00 H new ATOM 0 HB2 PHE A 12 15.295 -0.264 -1.287 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.613 0.190 -1.099 1.00 0.00 H new ATOM 0 HD1 PHE A 12 16.017 -0.882 -3.791 1.00 0.00 H new ATOM 0 HD2 PHE A 12 11.959 -0.947 -2.361 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.417 -2.486 -5.586 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.372 -2.603 -4.115 1.00 0.00 H new ATOM 0 HZ PHE A 12 13.092 -3.365 -5.740 1.00 0.00 H new ATOM 193 N LEU A 13 13.714 2.094 -4.465 1.00 0.00 N ATOM 194 CA LEU A 13 12.802 2.775 -5.364 1.00 0.00 C ATOM 195 C LEU A 13 12.408 1.814 -6.473 1.00 0.00 C ATOM 196 O LEU A 13 13.187 0.936 -6.856 1.00 0.00 O ATOM 197 CB LEU A 13 13.451 4.010 -6.004 1.00 0.00 C ATOM 198 CG LEU A 13 13.593 5.272 -5.138 1.00 0.00 C ATOM 199 CD1 LEU A 13 14.575 5.110 -3.974 1.00 0.00 C ATOM 200 CD2 LEU A 13 14.100 6.393 -6.045 1.00 0.00 C ATOM 0 H LEU A 13 14.472 1.613 -4.949 1.00 0.00 H new ATOM 0 HA LEU A 13 11.936 3.100 -4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.445 3.726 -6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.871 4.274 -6.888 1.00 0.00 H new ATOM 0 HG LEU A 13 12.619 5.486 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.624 6.040 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.237 4.305 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.564 4.870 -4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.214 7.308 -5.464 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.064 6.110 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.385 6.561 -6.850 1.00 0.00 H new ATOM 212 N THR A 14 11.220 2.036 -7.018 1.00 0.00 N ATOM 213 CA THR A 14 10.565 1.204 -8.016 1.00 0.00 C ATOM 214 C THR A 14 9.764 2.088 -8.989 1.00 0.00 C ATOM 215 O THR A 14 9.708 3.316 -8.837 1.00 0.00 O ATOM 216 CB THR A 14 9.675 0.168 -7.295 1.00 0.00 C ATOM 217 OG1 THR A 14 8.797 0.815 -6.403 1.00 0.00 O ATOM 218 CG2 THR A 14 10.472 -0.845 -6.467 1.00 0.00 C ATOM 0 H THR A 14 10.657 2.847 -6.761 1.00 0.00 H new ATOM 0 HA THR A 14 11.302 0.662 -8.609 1.00 0.00 H new ATOM 0 HB THR A 14 9.144 -0.358 -8.088 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.219 0.150 -5.973 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.786 -1.543 -5.987 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.151 -1.394 -7.119 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.047 -0.320 -5.704 1.00 0.00 H new ATOM 226 N ASN A 15 9.131 1.460 -9.989 1.00 0.00 N ATOM 227 CA ASN A 15 8.362 2.094 -11.068 1.00 0.00 C ATOM 228 C ASN A 15 9.152 3.177 -11.821 1.00 0.00 C ATOM 229 O ASN A 15 8.591 4.156 -12.318 1.00 0.00 O ATOM 230 CB ASN A 15 6.997 2.587 -10.552 1.00 0.00 C ATOM 231 CG ASN A 15 6.034 2.877 -11.703 1.00 0.00 C ATOM 232 OD1 ASN A 15 5.769 2.014 -12.535 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.467 4.070 -11.769 1.00 0.00 N ATOM 0 H ASN A 15 9.142 0.443 -10.071 1.00 0.00 H new ATOM 0 HA ASN A 15 8.167 1.327 -11.818 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.563 1.835 -9.894 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.136 3.489 -9.957 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.804 4.279 -12.515 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.693 4.781 -11.074 1.00 0.00 H new ATOM 240 N LEU A 16 10.474 3.019 -11.877 1.00 0.00 N ATOM 241 CA LEU A 16 11.370 3.882 -12.641 1.00 0.00 C ATOM 242 C LEU A 16 11.239 3.539 -14.140 1.00 0.00 C ATOM 243 O LEU A 16 10.640 2.508 -14.470 1.00 0.00 O ATOM 244 CB LEU A 16 12.821 3.681 -12.159 1.00 0.00 C ATOM 245 CG LEU A 16 13.045 3.657 -10.637 1.00 0.00 C ATOM 246 CD1 LEU A 16 14.511 3.353 -10.350 1.00 0.00 C ATOM 247 CD2 LEU A 16 12.676 4.982 -9.976 1.00 0.00 C ATOM 0 H LEU A 16 10.961 2.272 -11.382 1.00 0.00 H new ATOM 0 HA LEU A 16 11.102 4.928 -12.491 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.190 2.742 -12.572 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.433 4.478 -12.581 1.00 0.00 H new ATOM 0 HG LEU A 16 12.397 2.885 -10.222 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.675 3.335 -9.273 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.771 2.383 -10.773 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.137 4.124 -10.799 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.852 4.914 -8.902 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.289 5.780 -10.394 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.624 5.199 -10.158 1.00 0.00 H new ATOM 259 N PRO A 17 11.778 4.365 -15.056 1.00 0.00 N ATOM 260 CA PRO A 17 11.899 4.026 -16.469 1.00 0.00 C ATOM 261 C PRO A 17 12.515 2.640 -16.706 1.00 0.00 C ATOM 262 O PRO A 17 13.271 2.114 -15.890 1.00 0.00 O ATOM 263 CB PRO A 17 12.761 5.125 -17.091 1.00 0.00 C ATOM 264 CG PRO A 17 12.487 6.330 -16.202 1.00 0.00 C ATOM 265 CD PRO A 17 12.268 5.714 -14.823 1.00 0.00 C ATOM 0 HA PRO A 17 10.911 3.972 -16.926 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.817 4.856 -17.090 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.482 5.317 -18.127 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.325 7.027 -16.202 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.611 6.885 -16.537 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.196 5.698 -14.252 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.549 6.296 -14.246 1.00 0.00 H new ATOM 273 N GLU A 18 12.301 2.085 -17.898 1.00 0.00 N ATOM 274 CA GLU A 18 13.001 0.876 -18.344 1.00 0.00 C ATOM 275 C GLU A 18 14.428 1.214 -18.813 1.00 0.00 C ATOM 276 O GLU A 18 15.125 0.358 -19.358 1.00 0.00 O ATOM 277 CB GLU A 18 12.186 0.185 -19.453 1.00 0.00 C ATOM 278 CG GLU A 18 10.821 -0.312 -18.954 1.00 0.00 C ATOM 279 CD GLU A 18 10.073 -1.094 -20.049 1.00 0.00 C ATOM 280 OE1 GLU A 18 9.351 -0.477 -20.866 1.00 0.00 O ATOM 281 OE2 GLU A 18 10.180 -2.341 -20.096 1.00 0.00 O ATOM 0 H GLU A 18 11.641 2.457 -18.581 1.00 0.00 H new ATOM 0 HA GLU A 18 13.094 0.184 -17.507 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.036 0.882 -20.278 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.755 -0.658 -19.847 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.961 -0.949 -18.081 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.217 0.538 -18.635 1.00 0.00 H new ATOM 288 N GLU A 19 14.868 2.462 -18.618 1.00 0.00 N ATOM 289 CA GLU A 19 16.081 3.033 -19.167 1.00 0.00 C ATOM 290 C GLU A 19 16.841 3.882 -18.128 1.00 0.00 C ATOM 291 O GLU A 19 17.776 4.599 -18.494 1.00 0.00 O ATOM 292 CB GLU A 19 15.724 3.887 -20.405 1.00 0.00 C ATOM 293 CG GLU A 19 14.911 3.178 -21.505 1.00 0.00 C ATOM 294 CD GLU A 19 15.626 1.978 -22.164 1.00 0.00 C ATOM 295 OE1 GLU A 19 16.876 1.934 -22.217 1.00 0.00 O ATOM 296 OE2 GLU A 19 14.929 1.092 -22.713 1.00 0.00 O ATOM 0 H GLU A 19 14.353 3.127 -18.041 1.00 0.00 H new ATOM 0 HA GLU A 19 16.743 2.217 -19.457 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.161 4.758 -20.070 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.650 4.256 -20.846 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.970 2.832 -21.077 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.661 3.904 -22.279 1.00 0.00 H new ATOM 303 N THR A 20 16.439 3.853 -16.850 1.00 0.00 N ATOM 304 CA THR A 20 17.047 4.648 -15.787 1.00 0.00 C ATOM 305 C THR A 20 18.537 4.321 -15.691 1.00 0.00 C ATOM 306 O THR A 20 18.944 3.169 -15.874 1.00 0.00 O ATOM 307 CB THR A 20 16.345 4.390 -14.439 1.00 0.00 C ATOM 308 OG1 THR A 20 15.006 4.004 -14.635 1.00 0.00 O ATOM 309 CG2 THR A 20 16.336 5.649 -13.564 1.00 0.00 C ATOM 0 H THR A 20 15.670 3.266 -16.526 1.00 0.00 H new ATOM 0 HA THR A 20 16.929 5.705 -16.026 1.00 0.00 H new ATOM 0 HB THR A 20 16.904 3.595 -13.946 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.877 3.090 -14.305 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.834 5.433 -12.621 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.361 5.962 -13.366 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.807 6.449 -14.082 1.00 0.00 H new ATOM 317 N ASN A 21 19.342 5.324 -15.353 1.00 0.00 N ATOM 318 CA ASN A 21 20.770 5.179 -15.135 1.00 0.00 C ATOM 319 C ASN A 21 21.090 5.782 -13.772 1.00 0.00 C ATOM 320 O ASN A 21 20.379 6.675 -13.309 1.00 0.00 O ATOM 321 CB ASN A 21 21.547 5.874 -16.265 1.00 0.00 C ATOM 322 CG ASN A 21 23.051 5.705 -16.089 1.00 0.00 C ATOM 323 OD1 ASN A 21 23.690 6.486 -15.396 1.00 0.00 O ATOM 324 ND2 ASN A 21 23.637 4.667 -16.660 1.00 0.00 N ATOM 0 H ASN A 21 19.009 6.279 -15.221 1.00 0.00 H new ATOM 0 HA ASN A 21 21.067 4.130 -15.145 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.243 5.460 -17.226 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.298 6.935 -16.281 1.00 0.00 H new ATOM 0 HD21 ASN A 21 24.636 4.508 -16.526 1.00 0.00 H new ATOM 0 HD22 ASN A 21 23.091 4.025 -17.235 1.00 0.00 H new ATOM 331 N GLU A 22 22.157 5.311 -13.130 1.00 0.00 N ATOM 332 CA GLU A 22 22.608 5.760 -11.814 1.00 0.00 C ATOM 333 C GLU A 22 22.751 7.288 -11.760 1.00 0.00 C ATOM 334 O GLU A 22 22.338 7.939 -10.796 1.00 0.00 O ATOM 335 CB GLU A 22 23.917 5.007 -11.521 1.00 0.00 C ATOM 336 CG GLU A 22 24.236 4.933 -10.031 1.00 0.00 C ATOM 337 CD GLU A 22 25.260 3.824 -9.735 1.00 0.00 C ATOM 338 OE1 GLU A 22 24.856 2.646 -9.585 1.00 0.00 O ATOM 339 OE2 GLU A 22 26.472 4.120 -9.631 1.00 0.00 O ATOM 0 H GLU A 22 22.751 4.582 -13.525 1.00 0.00 H new ATOM 0 HA GLU A 22 21.877 5.532 -11.038 1.00 0.00 H new ATOM 0 HB2 GLU A 22 23.847 3.996 -11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 22 24.739 5.501 -12.040 1.00 0.00 H new ATOM 0 HG2 GLU A 22 24.627 5.892 -9.692 1.00 0.00 H new ATOM 0 HG3 GLU A 22 23.321 4.746 -9.469 1.00 0.00 H new ATOM 346 N MET A 23 23.258 7.866 -12.848 1.00 0.00 N ATOM 347 CA MET A 23 23.451 9.304 -13.004 1.00 0.00 C ATOM 348 C MET A 23 22.133 10.079 -13.000 1.00 0.00 C ATOM 349 O MET A 23 22.107 11.199 -12.491 1.00 0.00 O ATOM 350 CB MET A 23 24.210 9.601 -14.305 1.00 0.00 C ATOM 351 CG MET A 23 25.639 9.041 -14.291 1.00 0.00 C ATOM 352 SD MET A 23 26.647 9.465 -15.742 1.00 0.00 S ATOM 353 CE MET A 23 25.845 8.450 -17.016 1.00 0.00 C ATOM 0 H MET A 23 23.553 7.332 -13.665 1.00 0.00 H new ATOM 0 HA MET A 23 24.033 9.636 -12.144 1.00 0.00 H new ATOM 0 HB2 MET A 23 23.664 9.174 -15.146 1.00 0.00 H new ATOM 0 HB3 MET A 23 24.247 10.679 -14.463 1.00 0.00 H new ATOM 0 HG2 MET A 23 26.146 9.404 -13.397 1.00 0.00 H new ATOM 0 HG3 MET A 23 25.586 7.955 -14.209 1.00 0.00 H new ATOM 0 HE1 MET A 23 26.372 8.571 -17.963 1.00 0.00 H new ATOM 0 HE2 MET A 23 25.873 7.402 -16.717 1.00 0.00 H new ATOM 0 HE3 MET A 23 24.809 8.766 -17.134 1.00 0.00 H new ATOM 363 N MET A 24 21.047 9.508 -13.535 1.00 0.00 N ATOM 364 CA MET A 24 19.746 10.183 -13.612 1.00 0.00 C ATOM 365 C MET A 24 19.246 10.475 -12.208 1.00 0.00 C ATOM 366 O MET A 24 18.968 11.622 -11.848 1.00 0.00 O ATOM 367 CB MET A 24 18.698 9.344 -14.374 1.00 0.00 C ATOM 368 CG MET A 24 19.008 9.279 -15.866 1.00 0.00 C ATOM 369 SD MET A 24 17.999 8.114 -16.825 1.00 0.00 S ATOM 370 CE MET A 24 16.341 8.821 -16.617 1.00 0.00 C ATOM 0 H MET A 24 21.045 8.566 -13.926 1.00 0.00 H new ATOM 0 HA MET A 24 19.885 11.112 -14.165 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.671 8.335 -13.963 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.708 9.776 -14.226 1.00 0.00 H new ATOM 0 HG2 MET A 24 18.882 10.276 -16.289 1.00 0.00 H new ATOM 0 HG3 MET A 24 20.057 9.011 -15.990 1.00 0.00 H new ATOM 0 HE1 MET A 24 15.623 8.241 -17.196 1.00 0.00 H new ATOM 0 HE2 MET A 24 16.064 8.794 -15.563 1.00 0.00 H new ATOM 0 HE3 MET A 24 16.339 9.853 -16.967 1.00 0.00 H new ATOM 380 N LEU A 25 19.169 9.429 -11.388 1.00 0.00 N ATOM 381 CA LEU A 25 18.684 9.616 -10.031 1.00 0.00 C ATOM 382 C LEU A 25 19.703 10.413 -9.228 1.00 0.00 C ATOM 383 O LEU A 25 19.293 11.181 -8.363 1.00 0.00 O ATOM 384 CB LEU A 25 18.377 8.296 -9.325 1.00 0.00 C ATOM 385 CG LEU A 25 17.315 7.402 -9.986 1.00 0.00 C ATOM 386 CD1 LEU A 25 16.766 6.459 -8.911 1.00 0.00 C ATOM 387 CD2 LEU A 25 16.169 8.187 -10.634 1.00 0.00 C ATOM 0 H LEU A 25 19.428 8.473 -11.632 1.00 0.00 H new ATOM 0 HA LEU A 25 17.745 10.165 -10.096 1.00 0.00 H new ATOM 0 HB2 LEU A 25 19.303 7.726 -9.246 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.052 8.519 -8.309 1.00 0.00 H new ATOM 0 HG LEU A 25 17.791 6.854 -10.799 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.008 5.810 -9.349 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.578 5.851 -8.511 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.321 7.044 -8.106 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.458 7.491 -11.080 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.664 8.786 -9.876 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.569 8.843 -11.407 1.00 0.00 H new ATOM 399 N SER A 26 21.004 10.281 -9.518 1.00 0.00 N ATOM 400 CA SER A 26 22.005 11.085 -8.836 1.00 0.00 C ATOM 401 C SER A 26 21.729 12.572 -9.057 1.00 0.00 C ATOM 402 O SER A 26 21.610 13.311 -8.082 1.00 0.00 O ATOM 403 CB SER A 26 23.423 10.700 -9.266 1.00 0.00 C ATOM 404 OG SER A 26 23.688 9.340 -8.974 1.00 0.00 O ATOM 0 H SER A 26 21.376 9.632 -10.212 1.00 0.00 H new ATOM 0 HA SER A 26 21.937 10.884 -7.767 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.544 10.877 -10.335 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.147 11.334 -8.754 1.00 0.00 H new ATOM 0 HG SER A 26 23.106 8.769 -9.518 1.00 0.00 H new ATOM 410 N MET A 27 21.550 13.021 -10.306 1.00 0.00 N ATOM 411 CA MET A 27 21.268 14.429 -10.564 1.00 0.00 C ATOM 412 C MET A 27 19.905 14.845 -9.992 1.00 0.00 C ATOM 413 O MET A 27 19.772 15.992 -9.564 1.00 0.00 O ATOM 414 CB MET A 27 21.425 14.802 -12.049 1.00 0.00 C ATOM 415 CG MET A 27 20.410 14.158 -13.001 1.00 0.00 C ATOM 416 SD MET A 27 20.526 14.683 -14.735 1.00 0.00 S ATOM 417 CE MET A 27 19.864 16.368 -14.621 1.00 0.00 C ATOM 0 H MET A 27 21.596 12.435 -11.140 1.00 0.00 H new ATOM 0 HA MET A 27 22.025 15.006 -10.033 1.00 0.00 H new ATOM 0 HB2 MET A 27 21.350 15.885 -12.144 1.00 0.00 H new ATOM 0 HB3 MET A 27 22.428 14.523 -12.372 1.00 0.00 H new ATOM 0 HG2 MET A 27 20.533 13.076 -12.958 1.00 0.00 H new ATOM 0 HG3 MET A 27 19.406 14.379 -12.638 1.00 0.00 H new ATOM 0 HE1 MET A 27 19.769 16.790 -15.621 1.00 0.00 H new ATOM 0 HE2 MET A 27 18.885 16.343 -14.143 1.00 0.00 H new ATOM 0 HE3 MET A 27 20.540 16.985 -14.030 1.00 0.00 H new ATOM 427 N LEU A 28 18.911 13.943 -9.944 1.00 0.00 N ATOM 428 CA LEU A 28 17.613 14.271 -9.355 1.00 0.00 C ATOM 429 C LEU A 28 17.730 14.497 -7.852 1.00 0.00 C ATOM 430 O LEU A 28 17.311 15.544 -7.365 1.00 0.00 O ATOM 431 CB LEU A 28 16.550 13.196 -9.651 1.00 0.00 C ATOM 432 CG LEU A 28 16.048 13.192 -11.107 1.00 0.00 C ATOM 433 CD1 LEU A 28 15.107 12.001 -11.326 1.00 0.00 C ATOM 434 CD2 LEU A 28 15.309 14.484 -11.483 1.00 0.00 C ATOM 0 H LEU A 28 18.985 12.991 -10.304 1.00 0.00 H new ATOM 0 HA LEU A 28 17.284 15.199 -9.824 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.966 12.216 -9.419 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.700 13.348 -8.985 1.00 0.00 H new ATOM 0 HG LEU A 28 16.928 13.115 -11.745 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.754 12.001 -12.357 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.642 11.073 -11.126 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.255 12.081 -10.651 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.978 14.425 -12.520 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.444 14.611 -10.832 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.980 15.335 -11.364 1.00 0.00 H new ATOM 446 N PHE A 29 18.279 13.540 -7.109 1.00 0.00 N ATOM 447 CA PHE A 29 18.296 13.613 -5.648 1.00 0.00 C ATOM 448 C PHE A 29 19.399 14.537 -5.114 1.00 0.00 C ATOM 449 O PHE A 29 19.258 15.071 -4.016 1.00 0.00 O ATOM 450 CB PHE A 29 18.418 12.208 -5.048 1.00 0.00 C ATOM 451 CG PHE A 29 17.128 11.409 -5.037 1.00 0.00 C ATOM 452 CD1 PHE A 29 16.671 10.751 -6.196 1.00 0.00 C ATOM 453 CD2 PHE A 29 16.376 11.320 -3.850 1.00 0.00 C ATOM 454 CE1 PHE A 29 15.469 10.027 -6.169 1.00 0.00 C ATOM 455 CE2 PHE A 29 15.172 10.597 -3.820 1.00 0.00 C ATOM 456 CZ PHE A 29 14.717 9.960 -4.984 1.00 0.00 C ATOM 0 H PHE A 29 18.719 12.704 -7.493 1.00 0.00 H new ATOM 0 HA PHE A 29 17.349 14.052 -5.336 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.169 11.652 -5.609 1.00 0.00 H new ATOM 0 HB3 PHE A 29 18.784 12.295 -4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.247 10.804 -7.108 1.00 0.00 H new ATOM 0 HD2 PHE A 29 16.728 11.812 -2.955 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.122 9.522 -7.058 1.00 0.00 H new ATOM 0 HE2 PHE A 29 14.600 10.532 -2.906 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.784 9.416 -4.969 1.00 0.00 H new ATOM 466 N ASN A 30 20.480 14.788 -5.858 1.00 0.00 N ATOM 467 CA ASN A 30 21.585 15.632 -5.386 1.00 0.00 C ATOM 468 C ASN A 30 21.175 17.091 -5.138 1.00 0.00 C ATOM 469 O ASN A 30 21.923 17.841 -4.510 1.00 0.00 O ATOM 470 CB ASN A 30 22.764 15.548 -6.354 1.00 0.00 C ATOM 471 CG ASN A 30 23.966 16.383 -5.914 1.00 0.00 C ATOM 472 OD1 ASN A 30 24.547 16.147 -4.858 1.00 0.00 O ATOM 473 ND2 ASN A 30 24.381 17.352 -6.713 1.00 0.00 N ATOM 0 H ASN A 30 20.615 14.416 -6.798 1.00 0.00 H new ATOM 0 HA ASN A 30 21.888 15.240 -4.415 1.00 0.00 H new ATOM 0 HB2 ASN A 30 23.070 14.507 -6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 30 22.440 15.881 -7.340 1.00 0.00 H new ATOM 0 HD21 ASN A 30 25.192 17.913 -6.455 1.00 0.00 H new ATOM 0 HD22 ASN A 30 23.890 17.538 -7.587 1.00 0.00 H new ATOM 480 N GLN A 31 19.987 17.510 -5.595 1.00 0.00 N ATOM 481 CA GLN A 31 19.429 18.812 -5.252 1.00 0.00 C ATOM 482 C GLN A 31 19.317 19.003 -3.729 1.00 0.00 C ATOM 483 O GLN A 31 19.399 20.138 -3.254 1.00 0.00 O ATOM 484 CB GLN A 31 18.071 19.019 -5.950 1.00 0.00 C ATOM 485 CG GLN A 31 16.934 18.161 -5.373 1.00 0.00 C ATOM 486 CD GLN A 31 15.625 18.370 -6.135 1.00 0.00 C ATOM 487 OE1 GLN A 31 14.894 19.330 -5.903 1.00 0.00 O ATOM 488 NE2 GLN A 31 15.304 17.493 -7.071 1.00 0.00 N ATOM 0 H GLN A 31 19.393 16.954 -6.210 1.00 0.00 H new ATOM 0 HA GLN A 31 20.117 19.576 -5.615 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.793 20.070 -5.876 1.00 0.00 H new ATOM 0 HB3 GLN A 31 18.181 18.792 -7.011 1.00 0.00 H new ATOM 0 HG2 GLN A 31 17.215 17.109 -5.415 1.00 0.00 H new ATOM 0 HG3 GLN A 31 16.787 18.410 -4.322 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.916 16.699 -7.257 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.444 17.611 -7.607 1.00 0.00 H new ATOM 497 N PHE A 32 19.122 17.921 -2.963 1.00 0.00 N ATOM 498 CA PHE A 32 18.985 17.997 -1.513 1.00 0.00 C ATOM 499 C PHE A 32 20.390 17.989 -0.896 1.00 0.00 C ATOM 500 O PHE A 32 21.211 17.162 -1.305 1.00 0.00 O ATOM 501 CB PHE A 32 18.138 16.823 -0.991 1.00 0.00 C ATOM 502 CG PHE A 32 16.816 16.663 -1.730 1.00 0.00 C ATOM 503 CD1 PHE A 32 15.829 17.668 -1.673 1.00 0.00 C ATOM 504 CD2 PHE A 32 16.608 15.546 -2.560 1.00 0.00 C ATOM 505 CE1 PHE A 32 14.672 17.566 -2.469 1.00 0.00 C ATOM 506 CE2 PHE A 32 15.459 15.444 -3.354 1.00 0.00 C ATOM 507 CZ PHE A 32 14.499 16.464 -3.326 1.00 0.00 C ATOM 0 H PHE A 32 19.056 16.974 -3.335 1.00 0.00 H new ATOM 0 HA PHE A 32 18.471 18.915 -1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 32 18.712 15.901 -1.082 1.00 0.00 H new ATOM 0 HB3 PHE A 32 17.938 16.971 0.070 1.00 0.00 H new ATOM 0 HD1 PHE A 32 15.960 18.517 -1.018 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.345 14.757 -2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.916 18.336 -2.421 1.00 0.00 H new ATOM 0 HE2 PHE A 32 15.313 14.581 -3.987 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.628 16.404 -3.961 1.00 0.00 H new ATOM 517 N PRO A 33 20.681 18.834 0.114 1.00 0.00 N ATOM 518 CA PRO A 33 22.013 18.995 0.708 1.00 0.00 C ATOM 519 C PRO A 33 22.429 17.814 1.615 1.00 0.00 C ATOM 520 O PRO A 33 23.187 17.991 2.573 1.00 0.00 O ATOM 521 CB PRO A 33 21.947 20.343 1.443 1.00 0.00 C ATOM 522 CG PRO A 33 20.489 20.432 1.882 1.00 0.00 C ATOM 523 CD PRO A 33 19.751 19.785 0.712 1.00 0.00 C ATOM 0 HA PRO A 33 22.796 18.991 -0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 33 22.626 20.370 2.295 1.00 0.00 H new ATOM 0 HB3 PRO A 33 22.222 21.171 0.790 1.00 0.00 H new ATOM 0 HG2 PRO A 33 20.314 19.899 2.817 1.00 0.00 H new ATOM 0 HG3 PRO A 33 20.175 21.464 2.039 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.847 19.281 1.054 1.00 0.00 H new ATOM 0 HD3 PRO A 33 19.442 20.536 -0.015 1.00 0.00 H new ATOM 531 N GLY A 34 21.939 16.607 1.327 1.00 0.00 N ATOM 532 CA GLY A 34 22.193 15.396 2.088 1.00 0.00 C ATOM 533 C GLY A 34 22.361 14.158 1.219 1.00 0.00 C ATOM 534 O GLY A 34 22.682 13.108 1.773 1.00 0.00 O ATOM 0 H GLY A 34 21.331 16.447 0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.093 15.535 2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.369 15.233 2.783 1.00 0.00 H new ATOM 538 N PHE A 35 22.160 14.237 -0.101 1.00 0.00 N ATOM 539 CA PHE A 35 22.404 13.135 -1.007 1.00 0.00 C ATOM 540 C PHE A 35 23.851 12.655 -0.883 1.00 0.00 C ATOM 541 O PHE A 35 24.765 13.448 -0.630 1.00 0.00 O ATOM 542 CB PHE A 35 22.125 13.655 -2.416 1.00 0.00 C ATOM 543 CG PHE A 35 22.551 12.726 -3.531 1.00 0.00 C ATOM 544 CD1 PHE A 35 21.676 11.726 -3.981 1.00 0.00 C ATOM 545 CD2 PHE A 35 23.829 12.854 -4.108 1.00 0.00 C ATOM 546 CE1 PHE A 35 22.070 10.861 -5.009 1.00 0.00 C ATOM 547 CE2 PHE A 35 24.229 11.978 -5.131 1.00 0.00 C ATOM 548 CZ PHE A 35 23.350 10.981 -5.577 1.00 0.00 C ATOM 0 H PHE A 35 21.820 15.080 -0.564 1.00 0.00 H new ATOM 0 HA PHE A 35 21.762 12.285 -0.775 1.00 0.00 H new ATOM 0 HB2 PHE A 35 21.057 13.849 -2.512 1.00 0.00 H new ATOM 0 HB3 PHE A 35 22.635 14.610 -2.543 1.00 0.00 H new ATOM 0 HD1 PHE A 35 20.698 11.623 -3.534 1.00 0.00 H new ATOM 0 HD2 PHE A 35 24.502 13.626 -3.764 1.00 0.00 H new ATOM 0 HE1 PHE A 35 21.390 10.101 -5.366 1.00 0.00 H new ATOM 0 HE2 PHE A 35 25.210 12.072 -5.572 1.00 0.00 H new ATOM 0 HZ PHE A 35 23.657 10.303 -6.359 1.00 0.00 H new ATOM 558 N LYS A 36 24.054 11.362 -1.133 1.00 0.00 N ATOM 559 CA LYS A 36 25.370 10.731 -1.158 1.00 0.00 C ATOM 560 C LYS A 36 25.543 9.926 -2.437 1.00 0.00 C ATOM 561 O LYS A 36 26.523 10.163 -3.144 1.00 0.00 O ATOM 562 CB LYS A 36 25.578 9.826 0.070 1.00 0.00 C ATOM 563 CG LYS A 36 25.545 10.558 1.420 1.00 0.00 C ATOM 564 CD LYS A 36 26.702 11.526 1.690 1.00 0.00 C ATOM 565 CE LYS A 36 28.047 10.796 1.645 1.00 0.00 C ATOM 566 NZ LYS A 36 29.188 11.690 1.966 1.00 0.00 N ATOM 0 H LYS A 36 23.292 10.712 -1.327 1.00 0.00 H new ATOM 0 HA LYS A 36 26.122 11.520 -1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 36 24.807 9.055 0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 36 26.537 9.317 -0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 36 24.610 11.114 1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 36 25.529 9.812 2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 36 26.693 12.326 0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 36 26.570 11.994 2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 36 28.030 9.965 2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 36 28.192 10.368 0.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 30.075 11.150 1.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 29.223 12.469 1.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 29.066 12.079 2.923 1.00 0.00 H new ATOM 580 N GLU A 37 24.642 8.986 -2.746 1.00 0.00 N ATOM 581 CA GLU A 37 24.854 8.084 -3.883 1.00 0.00 C ATOM 582 C GLU A 37 23.551 7.426 -4.360 1.00 0.00 C ATOM 583 O GLU A 37 22.494 7.596 -3.751 1.00 0.00 O ATOM 584 CB GLU A 37 25.919 7.022 -3.508 1.00 0.00 C ATOM 585 CG GLU A 37 26.885 6.747 -4.673 1.00 0.00 C ATOM 586 CD GLU A 37 28.024 5.790 -4.282 1.00 0.00 C ATOM 587 OE1 GLU A 37 28.960 6.202 -3.559 1.00 0.00 O ATOM 588 OE2 GLU A 37 28.010 4.623 -4.736 1.00 0.00 O ATOM 0 H GLU A 37 23.773 8.831 -2.234 1.00 0.00 H new ATOM 0 HA GLU A 37 25.218 8.677 -4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.484 7.364 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.423 6.095 -3.221 1.00 0.00 H new ATOM 0 HG2 GLU A 37 26.329 6.322 -5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 37 27.310 7.690 -5.019 1.00 0.00 H new ATOM 595 N VAL A 38 23.643 6.639 -5.434 1.00 0.00 N ATOM 596 CA VAL A 38 22.589 5.812 -6.018 1.00 0.00 C ATOM 597 C VAL A 38 23.226 4.478 -6.399 1.00 0.00 C ATOM 598 O VAL A 38 24.416 4.439 -6.718 1.00 0.00 O ATOM 599 CB VAL A 38 22.020 6.492 -7.290 1.00 0.00 C ATOM 600 CG1 VAL A 38 20.951 5.681 -8.052 1.00 0.00 C ATOM 601 CG2 VAL A 38 21.414 7.854 -6.950 1.00 0.00 C ATOM 0 H VAL A 38 24.517 6.558 -5.953 1.00 0.00 H new ATOM 0 HA VAL A 38 21.773 5.674 -5.309 1.00 0.00 H new ATOM 0 HB VAL A 38 22.885 6.580 -7.947 1.00 0.00 H new ATOM 0 HG11 VAL A 38 20.619 6.245 -8.924 1.00 0.00 H new ATOM 0 HG12 VAL A 38 21.377 4.731 -8.375 1.00 0.00 H new ATOM 0 HG13 VAL A 38 20.101 5.494 -7.396 1.00 0.00 H new ATOM 0 HG21 VAL A 38 21.021 8.314 -7.857 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.606 7.723 -6.230 1.00 0.00 H new ATOM 0 HG23 VAL A 38 22.182 8.497 -6.521 1.00 0.00 H new ATOM 611 N ARG A 39 22.439 3.401 -6.411 1.00 0.00 N ATOM 612 CA ARG A 39 22.835 2.124 -6.980 1.00 0.00 C ATOM 613 C ARG A 39 21.684 1.682 -7.871 1.00 0.00 C ATOM 614 O ARG A 39 20.611 1.336 -7.375 1.00 0.00 O ATOM 615 CB ARG A 39 23.232 1.085 -5.919 1.00 0.00 C ATOM 616 CG ARG A 39 23.972 -0.103 -6.568 1.00 0.00 C ATOM 617 CD ARG A 39 25.504 0.033 -6.660 1.00 0.00 C ATOM 618 NE ARG A 39 25.977 1.336 -7.178 1.00 0.00 N ATOM 619 CZ ARG A 39 26.696 2.235 -6.490 1.00 0.00 C ATOM 620 NH1 ARG A 39 26.972 2.087 -5.198 1.00 0.00 N ATOM 621 NH2 ARG A 39 27.174 3.317 -7.078 1.00 0.00 N ATOM 0 H ARG A 39 21.497 3.397 -6.019 1.00 0.00 H new ATOM 0 HA ARG A 39 23.747 2.228 -7.567 1.00 0.00 H new ATOM 0 HB2 ARG A 39 23.870 1.551 -5.168 1.00 0.00 H new ATOM 0 HB3 ARG A 39 22.341 0.727 -5.403 1.00 0.00 H new ATOM 0 HG2 ARG A 39 23.739 -1.005 -6.002 1.00 0.00 H new ATOM 0 HG3 ARG A 39 23.578 -0.247 -7.574 1.00 0.00 H new ATOM 0 HD2 ARG A 39 25.930 -0.125 -5.669 1.00 0.00 H new ATOM 0 HD3 ARG A 39 25.888 -0.759 -7.302 1.00 0.00 H new ATOM 0 HE ARG A 39 25.735 1.570 -8.141 1.00 0.00 H new ATOM 0 HH11 ARG A 39 26.633 1.267 -4.695 1.00 0.00 H new ATOM 0 HH12 ARG A 39 27.522 2.794 -4.710 1.00 0.00 H new ATOM 0 HH21 ARG A 39 26.998 3.478 -8.070 1.00 0.00 H new ATOM 0 HH22 ARG A 39 27.719 3.991 -6.540 1.00 0.00 H new ATOM 635 N LEU A 40 21.869 1.784 -9.185 1.00 0.00 N ATOM 636 CA LEU A 40 20.916 1.275 -10.164 1.00 0.00 C ATOM 637 C LEU A 40 21.026 -0.251 -10.186 1.00 0.00 C ATOM 638 O LEU A 40 21.972 -0.833 -9.650 1.00 0.00 O ATOM 639 CB LEU A 40 21.225 1.902 -11.544 1.00 0.00 C ATOM 640 CG LEU A 40 20.036 2.515 -12.308 1.00 0.00 C ATOM 641 CD1 LEU A 40 18.983 1.479 -12.702 1.00 0.00 C ATOM 642 CD2 LEU A 40 19.363 3.671 -11.558 1.00 0.00 C ATOM 0 H LEU A 40 22.689 2.225 -9.601 1.00 0.00 H new ATOM 0 HA LEU A 40 19.892 1.544 -9.904 1.00 0.00 H new ATOM 0 HB2 LEU A 40 21.976 2.679 -11.404 1.00 0.00 H new ATOM 0 HB3 LEU A 40 21.674 1.134 -12.174 1.00 0.00 H new ATOM 0 HG LEU A 40 20.481 2.918 -13.218 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.171 1.971 -13.237 1.00 0.00 H new ATOM 0 HD12 LEU A 40 19.437 0.725 -13.345 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.589 1.001 -11.805 1.00 0.00 H new ATOM 0 HD21 LEU A 40 18.534 4.056 -12.152 1.00 0.00 H new ATOM 0 HD22 LEU A 40 18.987 3.313 -10.600 1.00 0.00 H new ATOM 0 HD23 LEU A 40 20.089 4.466 -11.389 1.00 0.00 H new ATOM 654 N VAL A 41 20.091 -0.899 -10.872 1.00 0.00 N ATOM 655 CA VAL A 41 20.114 -2.325 -11.147 1.00 0.00 C ATOM 656 C VAL A 41 20.118 -2.424 -12.671 1.00 0.00 C ATOM 657 O VAL A 41 19.041 -2.500 -13.261 1.00 0.00 O ATOM 658 CB VAL A 41 18.948 -3.038 -10.423 1.00 0.00 C ATOM 659 CG1 VAL A 41 19.020 -4.557 -10.636 1.00 0.00 C ATOM 660 CG2 VAL A 41 18.981 -2.763 -8.908 1.00 0.00 C ATOM 0 H VAL A 41 19.274 -0.430 -11.262 1.00 0.00 H new ATOM 0 HA VAL A 41 20.989 -2.845 -10.758 1.00 0.00 H new ATOM 0 HB VAL A 41 18.024 -2.645 -10.847 1.00 0.00 H new ATOM 0 HG11 VAL A 41 18.190 -5.037 -10.118 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.959 -4.778 -11.702 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.962 -4.936 -10.240 1.00 0.00 H new ATOM 0 HG21 VAL A 41 18.149 -3.277 -8.427 1.00 0.00 H new ATOM 0 HG22 VAL A 41 19.921 -3.126 -8.493 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.896 -1.691 -8.731 1.00 0.00 H new ATOM 670 N PRO A 42 21.288 -2.360 -13.343 1.00 0.00 N ATOM 671 CA PRO A 42 21.408 -2.271 -14.803 1.00 0.00 C ATOM 672 C PRO A 42 21.091 -3.591 -15.539 1.00 0.00 C ATOM 673 O PRO A 42 21.631 -3.888 -16.607 1.00 0.00 O ATOM 674 CB PRO A 42 22.824 -1.736 -15.056 1.00 0.00 C ATOM 675 CG PRO A 42 23.613 -2.315 -13.888 1.00 0.00 C ATOM 676 CD PRO A 42 22.609 -2.229 -12.741 1.00 0.00 C ATOM 0 HA PRO A 42 20.657 -1.601 -15.221 1.00 0.00 H new ATOM 0 HB2 PRO A 42 23.218 -2.070 -16.016 1.00 0.00 H new ATOM 0 HB3 PRO A 42 22.850 -0.646 -15.062 1.00 0.00 H new ATOM 0 HG2 PRO A 42 23.926 -3.342 -14.078 1.00 0.00 H new ATOM 0 HG3 PRO A 42 24.516 -1.740 -13.682 1.00 0.00 H new ATOM 0 HD2 PRO A 42 22.784 -3.019 -12.011 1.00 0.00 H new ATOM 0 HD3 PRO A 42 22.703 -1.280 -12.212 1.00 0.00 H new ATOM 684 N ASN A 43 20.210 -4.388 -14.939 1.00 0.00 N ATOM 685 CA ASN A 43 19.570 -5.570 -15.484 1.00 0.00 C ATOM 686 C ASN A 43 18.044 -5.513 -15.304 1.00 0.00 C ATOM 687 O ASN A 43 17.354 -6.359 -15.876 1.00 0.00 O ATOM 688 CB ASN A 43 20.176 -6.862 -14.909 1.00 0.00 C ATOM 689 CG ASN A 43 19.814 -7.096 -13.445 1.00 0.00 C ATOM 690 OD1 ASN A 43 18.691 -7.460 -13.112 1.00 0.00 O ATOM 691 ND2 ASN A 43 20.749 -6.882 -12.534 1.00 0.00 N ATOM 0 H ASN A 43 19.905 -4.204 -13.983 1.00 0.00 H new ATOM 0 HA ASN A 43 19.765 -5.585 -16.556 1.00 0.00 H new ATOM 0 HB2 ASN A 43 19.834 -7.711 -15.501 1.00 0.00 H new ATOM 0 HB3 ASN A 43 21.261 -6.822 -15.006 1.00 0.00 H new ATOM 0 HD21 ASN A 43 20.539 -7.020 -11.545 1.00 0.00 H new ATOM 0 HD22 ASN A 43 21.680 -6.579 -12.820 1.00 0.00 H new ATOM 698 N ARG A 44 17.492 -4.512 -14.588 1.00 0.00 N ATOM 699 CA ARG A 44 16.050 -4.261 -14.547 1.00 0.00 C ATOM 700 C ARG A 44 15.703 -2.809 -14.860 1.00 0.00 C ATOM 701 O ARG A 44 14.701 -2.580 -15.533 1.00 0.00 O ATOM 702 CB ARG A 44 15.462 -4.706 -13.195 1.00 0.00 C ATOM 703 CG ARG A 44 14.799 -6.089 -13.316 1.00 0.00 C ATOM 704 CD ARG A 44 13.993 -6.475 -12.072 1.00 0.00 C ATOM 705 NE ARG A 44 12.841 -5.579 -11.866 1.00 0.00 N ATOM 706 CZ ARG A 44 11.814 -5.786 -11.034 1.00 0.00 C ATOM 707 NH1 ARG A 44 11.748 -6.892 -10.297 1.00 0.00 N ATOM 708 NH2 ARG A 44 10.855 -4.874 -10.945 1.00 0.00 N ATOM 0 H ARG A 44 18.039 -3.860 -14.025 1.00 0.00 H new ATOM 0 HA ARG A 44 15.592 -4.861 -15.334 1.00 0.00 H new ATOM 0 HB2 ARG A 44 16.251 -4.741 -12.444 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.729 -3.975 -12.854 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.141 -6.096 -14.185 1.00 0.00 H new ATOM 0 HG3 ARG A 44 15.568 -6.841 -13.492 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.641 -7.502 -12.171 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.640 -6.443 -11.195 1.00 0.00 H new ATOM 0 HE ARG A 44 12.825 -4.717 -12.411 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.486 -7.593 -10.363 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.960 -7.038 -9.666 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.905 -4.025 -11.508 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.068 -5.022 -10.314 1.00 0.00 H new ATOM 722 N HIS A 45 16.529 -1.850 -14.432 1.00 0.00 N ATOM 723 CA HIS A 45 16.389 -0.398 -14.585 1.00 0.00 C ATOM 724 C HIS A 45 15.134 0.223 -13.953 1.00 0.00 C ATOM 725 O HIS A 45 15.174 1.402 -13.602 1.00 0.00 O ATOM 726 CB HIS A 45 16.524 0.033 -16.054 1.00 0.00 C ATOM 727 CG HIS A 45 17.844 -0.328 -16.685 1.00 0.00 C ATOM 728 ND1 HIS A 45 18.953 0.484 -16.768 1.00 0.00 N ATOM 729 CD2 HIS A 45 18.155 -1.501 -17.319 1.00 0.00 C ATOM 730 CE1 HIS A 45 19.907 -0.182 -17.439 1.00 0.00 C ATOM 731 NE2 HIS A 45 19.471 -1.406 -17.793 1.00 0.00 N ATOM 0 H HIS A 45 17.383 -2.088 -13.928 1.00 0.00 H new ATOM 0 HA HIS A 45 17.221 0.003 -14.007 1.00 0.00 H new ATOM 0 HB2 HIS A 45 15.721 -0.426 -16.631 1.00 0.00 H new ATOM 0 HB3 HIS A 45 16.386 1.112 -16.118 1.00 0.00 H new ATOM 0 HD1 HIS A 45 19.036 1.426 -16.387 1.00 0.00 H new ATOM 0 HD2 HIS A 45 17.500 -2.352 -17.434 1.00 0.00 H new ATOM 0 HE1 HIS A 45 20.888 0.210 -17.664 1.00 0.00 H new ATOM 739 N ASP A 46 14.051 -0.534 -13.759 1.00 0.00 N ATOM 740 CA ASP A 46 12.790 -0.039 -13.214 1.00 0.00 C ATOM 741 C ASP A 46 12.829 0.065 -11.685 1.00 0.00 C ATOM 742 O ASP A 46 11.863 0.536 -11.081 1.00 0.00 O ATOM 743 CB ASP A 46 11.608 -0.903 -13.678 1.00 0.00 C ATOM 744 CG ASP A 46 11.469 -2.204 -12.881 1.00 0.00 C ATOM 745 OD1 ASP A 46 12.390 -3.046 -12.933 1.00 0.00 O ATOM 746 OD2 ASP A 46 10.429 -2.425 -12.224 1.00 0.00 O ATOM 0 H ASP A 46 14.029 -1.529 -13.982 1.00 0.00 H new ATOM 0 HA ASP A 46 12.646 0.969 -13.603 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.687 -0.328 -13.587 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.732 -1.142 -14.734 1.00 0.00 H new ATOM 751 N ILE A 47 13.940 -0.340 -11.059 1.00 0.00 N ATOM 752 CA ILE A 47 14.194 -0.274 -9.627 1.00 0.00 C ATOM 753 C ILE A 47 15.595 0.298 -9.374 1.00 0.00 C ATOM 754 O ILE A 47 16.458 0.254 -10.258 1.00 0.00 O ATOM 755 CB ILE A 47 14.065 -1.684 -9.018 1.00 0.00 C ATOM 756 CG1 ILE A 47 15.270 -2.541 -9.481 1.00 0.00 C ATOM 757 CG2 ILE A 47 12.696 -2.303 -9.356 1.00 0.00 C ATOM 758 CD1 ILE A 47 15.091 -4.038 -9.342 1.00 0.00 C ATOM 0 H ILE A 47 14.724 -0.743 -11.571 1.00 0.00 H new ATOM 0 HA ILE A 47 13.463 0.382 -9.154 1.00 0.00 H new ATOM 0 HB ILE A 47 14.098 -1.636 -7.930 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.477 -2.312 -10.526 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.148 -2.242 -8.909 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.628 -3.298 -8.916 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.903 -1.673 -8.954 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.587 -2.377 -10.438 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.989 -4.546 -9.693 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.918 -4.288 -8.295 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.237 -4.359 -9.938 1.00 0.00 H new ATOM 770 N ALA A 48 15.837 0.790 -8.158 1.00 0.00 N ATOM 771 CA ALA A 48 17.113 1.364 -7.741 1.00 0.00 C ATOM 772 C ALA A 48 17.186 1.468 -6.221 1.00 0.00 C ATOM 773 O ALA A 48 16.196 1.239 -5.525 1.00 0.00 O ATOM 774 CB ALA A 48 17.257 2.777 -8.331 1.00 0.00 C ATOM 0 H ALA A 48 15.133 0.800 -7.420 1.00 0.00 H new ATOM 0 HA ALA A 48 17.913 0.716 -8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.210 3.206 -8.020 1.00 0.00 H new ATOM 0 HB2 ALA A 48 17.222 2.722 -9.419 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.442 3.406 -7.973 1.00 0.00 H new ATOM 780 N PHE A 49 18.342 1.897 -5.723 1.00 0.00 N ATOM 781 CA PHE A 49 18.570 2.283 -4.342 1.00 0.00 C ATOM 782 C PHE A 49 19.192 3.678 -4.360 1.00 0.00 C ATOM 783 O PHE A 49 19.889 4.029 -5.315 1.00 0.00 O ATOM 784 CB PHE A 49 19.504 1.291 -3.634 1.00 0.00 C ATOM 785 CG PHE A 49 18.941 -0.101 -3.418 1.00 0.00 C ATOM 786 CD1 PHE A 49 18.986 -1.056 -4.454 1.00 0.00 C ATOM 787 CD2 PHE A 49 18.403 -0.455 -2.165 1.00 0.00 C ATOM 788 CE1 PHE A 49 18.490 -2.355 -4.242 1.00 0.00 C ATOM 789 CE2 PHE A 49 17.922 -1.760 -1.947 1.00 0.00 C ATOM 790 CZ PHE A 49 17.965 -2.709 -2.985 1.00 0.00 C ATOM 0 H PHE A 49 19.179 1.987 -6.299 1.00 0.00 H new ATOM 0 HA PHE A 49 17.629 2.282 -3.792 1.00 0.00 H new ATOM 0 HB2 PHE A 49 20.422 1.206 -4.216 1.00 0.00 H new ATOM 0 HB3 PHE A 49 19.778 1.707 -2.664 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.403 -0.789 -5.414 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.360 0.276 -1.371 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.512 -3.080 -5.042 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.520 -2.033 -0.983 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.595 -3.710 -2.817 1.00 0.00 H new ATOM 800 N VAL A 50 18.975 4.464 -3.309 1.00 0.00 N ATOM 801 CA VAL A 50 19.518 5.812 -3.146 1.00 0.00 C ATOM 802 C VAL A 50 20.030 5.906 -1.702 1.00 0.00 C ATOM 803 O VAL A 50 19.468 5.272 -0.808 1.00 0.00 O ATOM 804 CB VAL A 50 18.438 6.866 -3.501 1.00 0.00 C ATOM 805 CG1 VAL A 50 18.980 8.298 -3.430 1.00 0.00 C ATOM 806 CG2 VAL A 50 17.840 6.653 -4.901 1.00 0.00 C ATOM 0 H VAL A 50 18.397 4.172 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 50 20.347 6.016 -3.824 1.00 0.00 H new ATOM 0 HB VAL A 50 17.658 6.729 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.187 9.000 -3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.334 8.504 -2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 50 19.805 8.410 -4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.090 7.419 -5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.631 6.720 -5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 50 17.375 5.668 -4.952 1.00 0.00 H new ATOM 816 N GLU A 51 21.097 6.667 -1.463 1.00 0.00 N ATOM 817 CA GLU A 51 21.826 6.714 -0.203 1.00 0.00 C ATOM 818 C GLU A 51 22.087 8.176 0.158 1.00 0.00 C ATOM 819 O GLU A 51 22.394 8.994 -0.720 1.00 0.00 O ATOM 820 CB GLU A 51 23.135 5.919 -0.358 1.00 0.00 C ATOM 821 CG GLU A 51 23.997 5.941 0.911 1.00 0.00 C ATOM 822 CD GLU A 51 25.246 5.053 0.764 1.00 0.00 C ATOM 823 OE1 GLU A 51 25.142 3.816 0.924 1.00 0.00 O ATOM 824 OE2 GLU A 51 26.348 5.588 0.512 1.00 0.00 O ATOM 0 H GLU A 51 21.489 7.289 -2.169 1.00 0.00 H new ATOM 0 HA GLU A 51 21.250 6.263 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.899 4.886 -0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.709 6.330 -1.189 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.302 6.965 1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.405 5.599 1.760 1.00 0.00 H new ATOM 831 N PHE A 52 21.959 8.483 1.453 1.00 0.00 N ATOM 832 CA PHE A 52 21.952 9.821 2.024 1.00 0.00 C ATOM 833 C PHE A 52 22.819 9.890 3.283 1.00 0.00 C ATOM 834 O PHE A 52 23.155 8.877 3.901 1.00 0.00 O ATOM 835 CB PHE A 52 20.505 10.208 2.372 1.00 0.00 C ATOM 836 CG PHE A 52 19.808 11.009 1.293 1.00 0.00 C ATOM 837 CD1 PHE A 52 19.429 10.401 0.084 1.00 0.00 C ATOM 838 CD2 PHE A 52 19.557 12.380 1.495 1.00 0.00 C ATOM 839 CE1 PHE A 52 18.841 11.169 -0.935 1.00 0.00 C ATOM 840 CE2 PHE A 52 18.954 13.144 0.483 1.00 0.00 C ATOM 841 CZ PHE A 52 18.615 12.541 -0.738 1.00 0.00 C ATOM 0 H PHE A 52 21.852 7.760 2.165 1.00 0.00 H new ATOM 0 HA PHE A 52 22.364 10.516 1.292 1.00 0.00 H new ATOM 0 HB2 PHE A 52 19.933 9.300 2.564 1.00 0.00 H new ATOM 0 HB3 PHE A 52 20.506 10.786 3.296 1.00 0.00 H new ATOM 0 HD1 PHE A 52 19.590 9.343 -0.062 1.00 0.00 H new ATOM 0 HD2 PHE A 52 19.829 12.845 2.431 1.00 0.00 H new ATOM 0 HE1 PHE A 52 18.563 10.704 -1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 52 18.752 14.193 0.644 1.00 0.00 H new ATOM 0 HZ PHE A 52 18.179 13.134 -1.529 1.00 0.00 H new ATOM 851 N THR A 53 23.138 11.122 3.668 1.00 0.00 N ATOM 852 CA THR A 53 23.840 11.503 4.882 1.00 0.00 C ATOM 853 C THR A 53 23.033 11.095 6.114 1.00 0.00 C ATOM 854 O THR A 53 23.574 10.471 7.028 1.00 0.00 O ATOM 855 CB THR A 53 24.017 13.036 4.864 1.00 0.00 C ATOM 856 OG1 THR A 53 24.775 13.446 3.743 1.00 0.00 O ATOM 857 CG2 THR A 53 24.673 13.572 6.138 1.00 0.00 C ATOM 0 H THR A 53 22.895 11.933 3.099 1.00 0.00 H new ATOM 0 HA THR A 53 24.807 11.002 4.926 1.00 0.00 H new ATOM 0 HB THR A 53 23.012 13.453 4.803 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.215 13.414 2.940 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.772 14.655 6.068 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.055 13.319 7.000 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.660 13.125 6.255 1.00 0.00 H new ATOM 865 N THR A 54 21.745 11.440 6.128 1.00 0.00 N ATOM 866 CA THR A 54 20.908 11.331 7.306 1.00 0.00 C ATOM 867 C THR A 54 19.496 10.919 6.916 1.00 0.00 C ATOM 868 O THR A 54 19.022 11.167 5.802 1.00 0.00 O ATOM 869 CB THR A 54 20.922 12.671 8.079 1.00 0.00 C ATOM 870 OG1 THR A 54 21.201 13.786 7.238 1.00 0.00 O ATOM 871 CG2 THR A 54 21.969 12.658 9.193 1.00 0.00 C ATOM 0 H THR A 54 21.256 11.805 5.311 1.00 0.00 H new ATOM 0 HA THR A 54 21.302 10.556 7.964 1.00 0.00 H new ATOM 0 HB THR A 54 19.920 12.777 8.495 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.197 14.608 7.772 1.00 0.00 H new ATOM 0 HG21 THR A 54 21.954 13.613 9.717 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.743 11.855 9.895 1.00 0.00 H new ATOM 0 HG23 THR A 54 22.957 12.496 8.762 1.00 0.00 H new ATOM 879 N GLU A 55 18.834 10.282 7.876 1.00 0.00 N ATOM 880 CA GLU A 55 17.500 9.700 7.755 1.00 0.00 C ATOM 881 C GLU A 55 16.452 10.793 7.510 1.00 0.00 C ATOM 882 O GLU A 55 15.480 10.586 6.788 1.00 0.00 O ATOM 883 CB GLU A 55 17.134 8.905 9.023 1.00 0.00 C ATOM 884 CG GLU A 55 18.193 7.896 9.510 1.00 0.00 C ATOM 885 CD GLU A 55 19.150 8.485 10.566 1.00 0.00 C ATOM 886 OE1 GLU A 55 19.992 9.342 10.218 1.00 0.00 O ATOM 887 OE2 GLU A 55 19.072 8.083 11.750 1.00 0.00 O ATOM 0 H GLU A 55 19.232 10.151 8.806 1.00 0.00 H new ATOM 0 HA GLU A 55 17.508 9.020 6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.936 9.612 9.828 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.205 8.366 8.836 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.690 7.025 9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.774 7.548 8.656 1.00 0.00 H new ATOM 894 N LEU A 56 16.652 11.976 8.103 1.00 0.00 N ATOM 895 CA LEU A 56 15.730 13.099 7.955 1.00 0.00 C ATOM 896 C LEU A 56 15.837 13.697 6.555 1.00 0.00 C ATOM 897 O LEU A 56 14.820 14.083 5.980 1.00 0.00 O ATOM 898 CB LEU A 56 16.015 14.191 9.006 1.00 0.00 C ATOM 899 CG LEU A 56 15.403 13.980 10.408 1.00 0.00 C ATOM 900 CD1 LEU A 56 13.869 13.949 10.375 1.00 0.00 C ATOM 901 CD2 LEU A 56 15.924 12.721 11.112 1.00 0.00 C ATOM 0 H LEU A 56 17.457 12.177 8.697 1.00 0.00 H new ATOM 0 HA LEU A 56 14.719 12.721 8.108 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.095 14.283 9.117 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.652 15.142 8.616 1.00 0.00 H new ATOM 0 HG LEU A 56 15.727 14.846 10.986 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.486 13.798 11.384 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.494 14.894 9.982 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.535 13.132 9.735 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.455 12.631 12.092 1.00 0.00 H new ATOM 0 HD22 LEU A 56 15.683 11.843 10.513 1.00 0.00 H new ATOM 0 HD23 LEU A 56 17.005 12.793 11.233 1.00 0.00 H new ATOM 913 N GLN A 57 17.046 13.776 5.990 1.00 0.00 N ATOM 914 CA GLN A 57 17.228 14.367 4.669 1.00 0.00 C ATOM 915 C GLN A 57 16.720 13.412 3.589 1.00 0.00 C ATOM 916 O GLN A 57 16.048 13.854 2.658 1.00 0.00 O ATOM 917 CB GLN A 57 18.691 14.763 4.441 1.00 0.00 C ATOM 918 CG GLN A 57 19.129 15.836 5.449 1.00 0.00 C ATOM 919 CD GLN A 57 20.391 16.555 4.986 1.00 0.00 C ATOM 920 OE1 GLN A 57 20.327 17.619 4.378 1.00 0.00 O ATOM 921 NE2 GLN A 57 21.559 15.985 5.230 1.00 0.00 N ATOM 0 H GLN A 57 17.905 13.440 6.426 1.00 0.00 H new ATOM 0 HA GLN A 57 16.638 15.282 4.609 1.00 0.00 H new ATOM 0 HB2 GLN A 57 19.329 13.885 4.537 1.00 0.00 H new ATOM 0 HB3 GLN A 57 18.817 15.139 3.426 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.325 16.560 5.584 1.00 0.00 H new ATOM 0 HG3 GLN A 57 19.308 15.374 6.420 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.599 15.100 5.736 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.420 16.430 4.912 1.00 0.00 H new ATOM 930 N SER A 58 16.965 12.108 3.737 1.00 0.00 N ATOM 931 CA SER A 58 16.356 11.106 2.868 1.00 0.00 C ATOM 932 C SER A 58 14.833 11.116 3.007 1.00 0.00 C ATOM 933 O SER A 58 14.144 11.008 1.996 1.00 0.00 O ATOM 934 CB SER A 58 16.932 9.714 3.135 1.00 0.00 C ATOM 935 OG SER A 58 17.251 9.519 4.497 1.00 0.00 O ATOM 0 H SER A 58 17.582 11.724 4.452 1.00 0.00 H new ATOM 0 HA SER A 58 16.598 11.366 1.837 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.212 8.959 2.821 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.828 9.571 2.530 1.00 0.00 H new ATOM 0 HG SER A 58 16.492 9.792 5.053 1.00 0.00 H new ATOM 941 N ASN A 59 14.285 11.300 4.216 1.00 0.00 N ATOM 942 CA ASN A 59 12.843 11.445 4.405 1.00 0.00 C ATOM 943 C ASN A 59 12.301 12.659 3.651 1.00 0.00 C ATOM 944 O ASN A 59 11.314 12.543 2.931 1.00 0.00 O ATOM 945 CB ASN A 59 12.482 11.527 5.894 1.00 0.00 C ATOM 946 CG ASN A 59 10.984 11.748 6.092 1.00 0.00 C ATOM 947 OD1 ASN A 59 10.157 10.992 5.594 1.00 0.00 O ATOM 948 ND2 ASN A 59 10.603 12.780 6.827 1.00 0.00 N ATOM 0 H ASN A 59 14.826 11.352 5.079 1.00 0.00 H new ATOM 0 HA ASN A 59 12.371 10.554 3.991 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.785 10.607 6.395 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.036 12.342 6.360 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.611 12.955 6.985 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.302 13.401 7.235 1.00 0.00 H new ATOM 955 N ALA A 60 12.961 13.811 3.758 1.00 0.00 N ATOM 956 CA ALA A 60 12.560 15.008 3.023 1.00 0.00 C ATOM 957 C ALA A 60 12.614 14.775 1.509 1.00 0.00 C ATOM 958 O ALA A 60 11.685 15.146 0.794 1.00 0.00 O ATOM 959 CB ALA A 60 13.430 16.197 3.437 1.00 0.00 C ATOM 0 H ALA A 60 13.781 13.940 4.351 1.00 0.00 H new ATOM 0 HA ALA A 60 11.525 15.237 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.122 17.084 2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.314 16.378 4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.475 15.977 3.218 1.00 0.00 H new ATOM 965 N ALA A 61 13.670 14.122 1.024 1.00 0.00 N ATOM 966 CA ALA A 61 13.823 13.790 -0.387 1.00 0.00 C ATOM 967 C ALA A 61 12.733 12.817 -0.851 1.00 0.00 C ATOM 968 O ALA A 61 12.193 12.969 -1.947 1.00 0.00 O ATOM 969 CB ALA A 61 15.210 13.193 -0.628 1.00 0.00 C ATOM 0 H ALA A 61 14.447 13.808 1.605 1.00 0.00 H new ATOM 0 HA ALA A 61 13.718 14.705 -0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.321 12.946 -1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.973 13.918 -0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.326 12.289 -0.030 1.00 0.00 H new ATOM 975 N LYS A 62 12.386 11.832 -0.018 1.00 0.00 N ATOM 976 CA LYS A 62 11.309 10.888 -0.279 1.00 0.00 C ATOM 977 C LYS A 62 9.998 11.649 -0.434 1.00 0.00 C ATOM 978 O LYS A 62 9.319 11.474 -1.441 1.00 0.00 O ATOM 979 CB LYS A 62 11.265 9.836 0.847 1.00 0.00 C ATOM 980 CG LYS A 62 10.097 8.851 0.713 1.00 0.00 C ATOM 981 CD LYS A 62 10.137 7.803 1.832 1.00 0.00 C ATOM 982 CE LYS A 62 9.025 6.767 1.625 1.00 0.00 C ATOM 983 NZ LYS A 62 8.892 5.862 2.789 1.00 0.00 N ATOM 0 H LYS A 62 12.858 11.670 0.872 1.00 0.00 H new ATOM 0 HA LYS A 62 11.481 10.351 -1.212 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.202 9.279 0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.193 10.345 1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.152 9.393 0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.143 8.356 -0.257 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.108 7.308 1.843 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.016 8.289 2.800 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.078 7.279 1.453 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.237 6.180 0.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.536 4.938 2.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.821 5.739 3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.226 6.273 3.474 1.00 0.00 H new ATOM 997 N GLU A 63 9.659 12.522 0.514 1.00 0.00 N ATOM 998 CA GLU A 63 8.434 13.314 0.451 1.00 0.00 C ATOM 999 C GLU A 63 8.410 14.183 -0.813 1.00 0.00 C ATOM 1000 O GLU A 63 7.360 14.345 -1.437 1.00 0.00 O ATOM 1001 CB GLU A 63 8.309 14.190 1.711 1.00 0.00 C ATOM 1002 CG GLU A 63 8.050 13.397 3.001 1.00 0.00 C ATOM 1003 CD GLU A 63 6.624 12.817 3.058 1.00 0.00 C ATOM 1004 OE1 GLU A 63 5.700 13.515 3.534 1.00 0.00 O ATOM 1005 OE2 GLU A 63 6.413 11.656 2.644 1.00 0.00 O ATOM 0 H GLU A 63 10.225 12.699 1.344 1.00 0.00 H new ATOM 0 HA GLU A 63 7.583 12.634 0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.225 14.769 1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.497 14.903 1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.773 12.585 3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.210 14.046 3.862 1.00 0.00 H new ATOM 1012 N ALA A 64 9.568 14.723 -1.198 1.00 0.00 N ATOM 1013 CA ALA A 64 9.708 15.616 -2.338 1.00 0.00 C ATOM 1014 C ALA A 64 9.542 14.899 -3.683 1.00 0.00 C ATOM 1015 O ALA A 64 8.949 15.480 -4.594 1.00 0.00 O ATOM 1016 CB ALA A 64 11.082 16.284 -2.277 1.00 0.00 C ATOM 0 H ALA A 64 10.448 14.545 -0.714 1.00 0.00 H new ATOM 0 HA ALA A 64 8.911 16.357 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.198 16.956 -3.127 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.170 16.852 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.859 15.521 -2.309 1.00 0.00 H new ATOM 1022 N LEU A 65 10.056 13.668 -3.830 1.00 0.00 N ATOM 1023 CA LEU A 65 10.144 12.994 -5.132 1.00 0.00 C ATOM 1024 C LEU A 65 9.246 11.762 -5.256 1.00 0.00 C ATOM 1025 O LEU A 65 9.159 11.202 -6.347 1.00 0.00 O ATOM 1026 CB LEU A 65 11.608 12.658 -5.484 1.00 0.00 C ATOM 1027 CG LEU A 65 12.524 13.874 -5.731 1.00 0.00 C ATOM 1028 CD1 LEU A 65 13.922 13.398 -6.139 1.00 0.00 C ATOM 1029 CD2 LEU A 65 12.010 14.815 -6.830 1.00 0.00 C ATOM 0 H LEU A 65 10.420 13.116 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 65 9.762 13.708 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.032 12.064 -4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.615 12.032 -6.376 1.00 0.00 H new ATOM 0 HG LEU A 65 12.543 14.429 -4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.564 14.262 -6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.345 12.785 -5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.853 12.808 -7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.703 15.647 -6.950 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.933 14.269 -7.770 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.028 15.198 -6.551 1.00 0.00 H new ATOM 1041 N GLN A 66 8.534 11.344 -4.208 1.00 0.00 N ATOM 1042 CA GLN A 66 7.470 10.347 -4.350 1.00 0.00 C ATOM 1043 C GLN A 66 6.482 10.819 -5.424 1.00 0.00 C ATOM 1044 O GLN A 66 5.927 11.917 -5.326 1.00 0.00 O ATOM 1045 CB GLN A 66 6.763 10.114 -3.005 1.00 0.00 C ATOM 1046 CG GLN A 66 7.470 9.054 -2.147 1.00 0.00 C ATOM 1047 CD GLN A 66 6.923 7.649 -2.380 1.00 0.00 C ATOM 1048 OE1 GLN A 66 6.937 7.134 -3.493 1.00 0.00 O ATOM 1049 NE2 GLN A 66 6.463 6.983 -1.336 1.00 0.00 N ATOM 0 H GLN A 66 8.674 11.679 -3.255 1.00 0.00 H new ATOM 0 HA GLN A 66 7.900 9.394 -4.659 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.719 11.053 -2.454 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.734 9.803 -3.188 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.537 9.066 -2.369 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.360 9.312 -1.094 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.456 7.421 -0.415 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.115 6.031 -1.451 1.00 0.00 H new ATOM 1058 N GLY A 67 6.272 9.992 -6.451 1.00 0.00 N ATOM 1059 CA GLY A 67 5.356 10.270 -7.549 1.00 0.00 C ATOM 1060 C GLY A 67 5.955 11.165 -8.641 1.00 0.00 C ATOM 1061 O GLY A 67 5.240 11.513 -9.581 1.00 0.00 O ATOM 0 H GLY A 67 6.746 9.093 -6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.042 9.327 -7.996 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.460 10.747 -7.151 1.00 0.00 H new ATOM 1065 N PHE A 68 7.232 11.554 -8.548 1.00 0.00 N ATOM 1066 CA PHE A 68 7.884 12.401 -9.539 1.00 0.00 C ATOM 1067 C PHE A 68 8.031 11.614 -10.840 1.00 0.00 C ATOM 1068 O PHE A 68 8.640 10.541 -10.846 1.00 0.00 O ATOM 1069 CB PHE A 68 9.248 12.855 -9.007 1.00 0.00 C ATOM 1070 CG PHE A 68 10.058 13.710 -9.961 1.00 0.00 C ATOM 1071 CD1 PHE A 68 9.890 15.109 -9.971 1.00 0.00 C ATOM 1072 CD2 PHE A 68 10.998 13.113 -10.823 1.00 0.00 C ATOM 1073 CE1 PHE A 68 10.661 15.905 -10.838 1.00 0.00 C ATOM 1074 CE2 PHE A 68 11.768 13.911 -11.688 1.00 0.00 C ATOM 1075 CZ PHE A 68 11.602 15.306 -11.695 1.00 0.00 C ATOM 0 H PHE A 68 7.841 11.285 -7.776 1.00 0.00 H new ATOM 0 HA PHE A 68 7.285 13.291 -9.734 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.093 13.415 -8.085 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.833 11.972 -8.750 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.169 15.571 -9.313 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.128 12.041 -10.820 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.530 16.977 -10.846 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.488 13.451 -12.348 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.196 15.918 -12.358 1.00 0.00 H new ATOM 1085 N LYS A 69 7.482 12.137 -11.939 1.00 0.00 N ATOM 1086 CA LYS A 69 7.704 11.580 -13.272 1.00 0.00 C ATOM 1087 C LYS A 69 9.176 11.736 -13.621 1.00 0.00 C ATOM 1088 O LYS A 69 9.639 12.853 -13.859 1.00 0.00 O ATOM 1089 CB LYS A 69 6.839 12.271 -14.347 1.00 0.00 C ATOM 1090 CG LYS A 69 5.641 11.423 -14.778 1.00 0.00 C ATOM 1091 CD LYS A 69 4.533 11.335 -13.729 1.00 0.00 C ATOM 1092 CE LYS A 69 3.481 10.341 -14.246 1.00 0.00 C ATOM 1093 NZ LYS A 69 2.216 10.390 -13.466 1.00 0.00 N ATOM 0 H LYS A 69 6.873 12.956 -11.928 1.00 0.00 H new ATOM 0 HA LYS A 69 7.416 10.529 -13.256 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.482 13.226 -13.961 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.456 12.489 -15.218 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.226 11.839 -15.696 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.987 10.416 -15.012 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.937 11.002 -12.773 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.085 12.315 -13.562 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.267 10.556 -15.293 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.890 9.331 -14.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.541 9.701 -13.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.412 10.158 -12.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.809 11.345 -13.525 1.00 0.00 H new ATOM 1107 N ILE A 70 9.898 10.620 -13.671 1.00 0.00 N ATOM 1108 CA ILE A 70 11.253 10.612 -14.217 1.00 0.00 C ATOM 1109 C ILE A 70 11.078 10.846 -15.727 1.00 0.00 C ATOM 1110 O ILE A 70 11.727 11.722 -16.299 1.00 0.00 O ATOM 1111 CB ILE A 70 11.975 9.304 -13.861 1.00 0.00 C ATOM 1112 CG1 ILE A 70 12.149 9.201 -12.332 1.00 0.00 C ATOM 1113 CG2 ILE A 70 13.356 9.277 -14.533 1.00 0.00 C ATOM 1114 CD1 ILE A 70 12.631 7.829 -11.864 1.00 0.00 C ATOM 0 H ILE A 70 9.570 9.712 -13.342 1.00 0.00 H new ATOM 0 HA ILE A 70 11.892 11.388 -13.796 1.00 0.00 H new ATOM 0 HB ILE A 70 11.380 8.462 -14.215 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.861 9.959 -12.004 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.198 9.427 -11.850 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.866 8.348 -14.279 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.236 9.341 -15.614 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.947 10.123 -14.183 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.731 7.829 -10.779 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.909 7.069 -12.162 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.597 7.609 -12.317 1.00 0.00 H new ATOM 1126 N THR A 71 10.141 10.119 -16.343 1.00 0.00 N ATOM 1127 CA THR A 71 9.649 10.346 -17.697 1.00 0.00 C ATOM 1128 C THR A 71 8.117 10.266 -17.617 1.00 0.00 C ATOM 1129 O THR A 71 7.619 9.768 -16.603 1.00 0.00 O ATOM 1130 CB THR A 71 10.272 9.349 -18.691 1.00 0.00 C ATOM 1131 OG1 THR A 71 10.116 8.011 -18.263 1.00 0.00 O ATOM 1132 CG2 THR A 71 11.768 9.606 -18.897 1.00 0.00 C ATOM 0 H THR A 71 9.689 9.325 -15.890 1.00 0.00 H new ATOM 0 HA THR A 71 9.941 11.324 -18.080 1.00 0.00 H new ATOM 0 HB THR A 71 9.740 9.500 -19.630 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.406 7.404 -18.975 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.168 8.880 -19.605 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.914 10.613 -19.288 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.289 9.508 -17.944 1.00 0.00 H new ATOM 1140 N PRO A 72 7.351 10.753 -18.617 1.00 0.00 N ATOM 1141 CA PRO A 72 5.895 10.926 -18.549 1.00 0.00 C ATOM 1142 C PRO A 72 5.053 9.751 -18.027 1.00 0.00 C ATOM 1143 O PRO A 72 3.916 9.972 -17.606 1.00 0.00 O ATOM 1144 CB PRO A 72 5.463 11.314 -19.964 1.00 0.00 C ATOM 1145 CG PRO A 72 6.669 12.092 -20.478 1.00 0.00 C ATOM 1146 CD PRO A 72 7.844 11.335 -19.864 1.00 0.00 C ATOM 0 HA PRO A 72 5.700 11.683 -17.789 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.254 10.438 -20.578 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.559 11.924 -19.959 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.714 12.095 -21.567 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.646 13.133 -20.157 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.202 10.559 -20.540 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.682 12.005 -19.675 1.00 0.00 H new ATOM 1154 N THR A 73 5.579 8.527 -18.029 1.00 0.00 N ATOM 1155 CA THR A 73 4.865 7.308 -17.670 1.00 0.00 C ATOM 1156 C THR A 73 5.531 6.573 -16.496 1.00 0.00 C ATOM 1157 O THR A 73 5.140 5.447 -16.176 1.00 0.00 O ATOM 1158 CB THR A 73 4.733 6.442 -18.941 1.00 0.00 C ATOM 1159 OG1 THR A 73 5.965 6.405 -19.650 1.00 0.00 O ATOM 1160 CG2 THR A 73 3.667 7.011 -19.886 1.00 0.00 C ATOM 0 H THR A 73 6.550 8.353 -18.291 1.00 0.00 H new ATOM 0 HA THR A 73 3.867 7.550 -17.306 1.00 0.00 H new ATOM 0 HB THR A 73 4.449 5.440 -18.619 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.864 5.851 -20.452 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.594 6.382 -20.773 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.704 7.033 -19.377 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.945 8.023 -20.180 1.00 0.00 H new ATOM 1168 N HIS A 74 6.502 7.200 -15.817 1.00 0.00 N ATOM 1169 CA HIS A 74 7.312 6.568 -14.783 1.00 0.00 C ATOM 1170 C HIS A 74 7.411 7.486 -13.574 1.00 0.00 C ATOM 1171 O HIS A 74 8.438 8.123 -13.326 1.00 0.00 O ATOM 1172 CB HIS A 74 8.676 6.153 -15.341 1.00 0.00 C ATOM 1173 CG HIS A 74 8.559 5.188 -16.491 1.00 0.00 C ATOM 1174 ND1 HIS A 74 8.689 5.505 -17.820 1.00 0.00 N ATOM 1175 CD2 HIS A 74 8.252 3.854 -16.420 1.00 0.00 C ATOM 1176 CE1 HIS A 74 8.469 4.392 -18.538 1.00 0.00 C ATOM 1177 NE2 HIS A 74 8.202 3.349 -17.727 1.00 0.00 N ATOM 0 H HIS A 74 6.745 8.177 -15.979 1.00 0.00 H new ATOM 0 HA HIS A 74 6.832 5.649 -14.448 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.216 7.041 -15.670 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.266 5.697 -14.547 1.00 0.00 H new ATOM 0 HD1 HIS A 74 8.914 6.426 -18.197 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.079 3.290 -15.515 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.501 4.340 -19.616 1.00 0.00 H new ATOM 1185 N ALA A 75 6.291 7.597 -12.857 1.00 0.00 N ATOM 1186 CA ALA A 75 6.241 8.238 -11.555 1.00 0.00 C ATOM 1187 C ALA A 75 7.011 7.338 -10.587 1.00 0.00 C ATOM 1188 O ALA A 75 6.534 6.239 -10.286 1.00 0.00 O ATOM 1189 CB ALA A 75 4.783 8.380 -11.109 1.00 0.00 C ATOM 0 H ALA A 75 5.389 7.239 -13.172 1.00 0.00 H new ATOM 0 HA ALA A 75 6.682 9.235 -11.584 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.747 8.861 -10.132 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.239 8.987 -11.833 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.324 7.393 -11.045 1.00 0.00 H new ATOM 1195 N MET A 76 8.197 7.758 -10.138 1.00 0.00 N ATOM 1196 CA MET A 76 8.974 6.944 -9.209 1.00 0.00 C ATOM 1197 C MET A 76 8.176 6.654 -7.934 1.00 0.00 C ATOM 1198 O MET A 76 7.461 7.524 -7.426 1.00 0.00 O ATOM 1199 CB MET A 76 10.338 7.580 -8.891 1.00 0.00 C ATOM 1200 CG MET A 76 10.349 8.710 -7.856 1.00 0.00 C ATOM 1201 SD MET A 76 12.023 9.232 -7.382 1.00 0.00 S ATOM 1202 CE MET A 76 12.481 10.313 -8.759 1.00 0.00 C ATOM 0 H MET A 76 8.632 8.643 -10.399 1.00 0.00 H new ATOM 0 HA MET A 76 9.177 5.992 -9.699 1.00 0.00 H new ATOM 0 HB2 MET A 76 11.007 6.793 -8.542 1.00 0.00 H new ATOM 0 HB3 MET A 76 10.758 7.966 -9.820 1.00 0.00 H new ATOM 0 HG2 MET A 76 9.809 9.567 -8.258 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.812 8.383 -6.966 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.483 10.059 -9.104 1.00 0.00 H new ATOM 0 HE2 MET A 76 11.772 10.181 -9.576 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.464 11.351 -8.428 1.00 0.00 H new ATOM 1212 N LYS A 77 8.353 5.454 -7.389 1.00 0.00 N ATOM 1213 CA LYS A 77 7.864 5.067 -6.075 1.00 0.00 C ATOM 1214 C LYS A 77 9.104 4.886 -5.212 1.00 0.00 C ATOM 1215 O LYS A 77 10.141 4.443 -5.709 1.00 0.00 O ATOM 1216 CB LYS A 77 7.031 3.780 -6.195 1.00 0.00 C ATOM 1217 CG LYS A 77 6.614 3.225 -4.822 1.00 0.00 C ATOM 1218 CD LYS A 77 5.765 1.948 -4.896 1.00 0.00 C ATOM 1219 CE LYS A 77 4.342 2.102 -5.446 1.00 0.00 C ATOM 1220 NZ LYS A 77 3.475 2.968 -4.607 1.00 0.00 N ATOM 0 H LYS A 77 8.855 4.705 -7.865 1.00 0.00 H new ATOM 0 HA LYS A 77 7.206 5.812 -5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.140 3.981 -6.789 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.607 3.025 -6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.511 3.019 -4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.053 3.991 -4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.293 1.223 -5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.699 1.524 -3.894 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.393 2.518 -6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.885 1.116 -5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.529 3.030 -5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.398 2.562 -3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.890 3.920 -4.546 1.00 0.00 H new ATOM 1234 N ILE A 78 8.998 5.217 -3.931 1.00 0.00 N ATOM 1235 CA ILE A 78 10.098 5.234 -2.980 1.00 0.00 C ATOM 1236 C ILE A 78 9.627 4.492 -1.720 1.00 0.00 C ATOM 1237 O ILE A 78 8.459 4.575 -1.335 1.00 0.00 O ATOM 1238 CB ILE A 78 10.511 6.703 -2.681 1.00 0.00 C ATOM 1239 CG1 ILE A 78 10.579 7.598 -3.951 1.00 0.00 C ATOM 1240 CG2 ILE A 78 11.831 6.755 -1.886 1.00 0.00 C ATOM 1241 CD1 ILE A 78 11.118 9.015 -3.735 1.00 0.00 C ATOM 0 H ILE A 78 8.109 5.491 -3.512 1.00 0.00 H new ATOM 0 HA ILE A 78 10.982 4.735 -3.377 1.00 0.00 H new ATOM 0 HB ILE A 78 9.717 7.123 -2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.205 7.100 -4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.578 7.670 -4.376 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.097 7.794 -1.690 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.707 6.228 -0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.623 6.280 -2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.122 9.551 -4.684 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.482 9.542 -3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.134 8.962 -3.344 1.00 0.00 H new ATOM 1253 N THR A 79 10.557 3.815 -1.058 1.00 0.00 N ATOM 1254 CA THR A 79 10.393 3.047 0.171 1.00 0.00 C ATOM 1255 C THR A 79 11.699 3.232 0.958 1.00 0.00 C ATOM 1256 O THR A 79 12.760 3.401 0.351 1.00 0.00 O ATOM 1257 CB THR A 79 10.143 1.554 -0.165 1.00 0.00 C ATOM 1258 OG1 THR A 79 10.488 1.188 -1.495 1.00 0.00 O ATOM 1259 CG2 THR A 79 8.669 1.175 -0.030 1.00 0.00 C ATOM 0 H THR A 79 11.520 3.786 -1.392 1.00 0.00 H new ATOM 0 HA THR A 79 9.537 3.384 0.755 1.00 0.00 H new ATOM 0 HB THR A 79 10.780 1.035 0.551 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.341 1.605 -1.738 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.541 0.121 -0.275 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.340 1.352 0.994 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.073 1.781 -0.713 1.00 0.00 H new ATOM 1267 N PHE A 80 11.662 3.227 2.291 1.00 0.00 N ATOM 1268 CA PHE A 80 12.889 3.198 3.077 1.00 0.00 C ATOM 1269 C PHE A 80 13.484 1.794 2.965 1.00 0.00 C ATOM 1270 O PHE A 80 12.791 0.803 3.214 1.00 0.00 O ATOM 1271 CB PHE A 80 12.610 3.574 4.539 1.00 0.00 C ATOM 1272 CG PHE A 80 12.327 5.047 4.757 1.00 0.00 C ATOM 1273 CD1 PHE A 80 13.351 5.995 4.568 1.00 0.00 C ATOM 1274 CD2 PHE A 80 11.050 5.480 5.155 1.00 0.00 C ATOM 1275 CE1 PHE A 80 13.091 7.367 4.733 1.00 0.00 C ATOM 1276 CE2 PHE A 80 10.792 6.848 5.346 1.00 0.00 C ATOM 1277 CZ PHE A 80 11.807 7.792 5.118 1.00 0.00 C ATOM 0 H PHE A 80 10.804 3.243 2.842 1.00 0.00 H new ATOM 0 HA PHE A 80 13.600 3.931 2.696 1.00 0.00 H new ATOM 0 HB2 PHE A 80 11.758 2.995 4.895 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.468 3.286 5.147 1.00 0.00 H new ATOM 0 HD1 PHE A 80 14.343 5.666 4.294 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.263 4.757 5.315 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.874 8.091 4.565 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.814 7.174 5.668 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.601 8.845 5.239 1.00 0.00 H new ATOM 1287 N ALA A 81 14.759 1.714 2.574 1.00 0.00 N ATOM 1288 CA ALA A 81 15.532 0.479 2.633 1.00 0.00 C ATOM 1289 C ALA A 81 15.986 0.277 4.090 1.00 0.00 C ATOM 1290 O ALA A 81 15.622 1.056 4.976 1.00 0.00 O ATOM 1291 CB ALA A 81 16.724 0.565 1.670 1.00 0.00 C ATOM 0 H ALA A 81 15.282 2.509 2.207 1.00 0.00 H new ATOM 0 HA ALA A 81 14.932 -0.377 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.298 -0.360 1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.360 0.714 0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.361 1.403 1.954 1.00 0.00 H new ATOM 1297 N LYS A 82 16.837 -0.718 4.342 1.00 0.00 N ATOM 1298 CA LYS A 82 17.330 -1.064 5.679 1.00 0.00 C ATOM 1299 C LYS A 82 18.851 -0.896 5.746 1.00 0.00 C ATOM 1300 O LYS A 82 19.491 -0.570 4.743 1.00 0.00 O ATOM 1301 CB LYS A 82 16.895 -2.503 6.010 1.00 0.00 C ATOM 1302 CG LYS A 82 15.378 -2.613 6.235 1.00 0.00 C ATOM 1303 CD LYS A 82 14.981 -4.086 6.402 1.00 0.00 C ATOM 1304 CE LYS A 82 13.482 -4.237 6.695 1.00 0.00 C ATOM 1305 NZ LYS A 82 13.082 -5.660 6.835 1.00 0.00 N ATOM 0 H LYS A 82 17.212 -1.319 3.608 1.00 0.00 H new ATOM 0 HA LYS A 82 16.903 -0.392 6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.189 -3.166 5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.419 -2.843 6.903 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.091 -2.047 7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.844 -2.177 5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.232 -4.636 5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.558 -4.529 7.214 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.236 -3.700 7.611 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.908 -3.777 5.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.062 -5.716 7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.292 -6.168 5.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.611 -6.094 7.619 1.00 0.00 H new ATOM 1319 N LYS A 83 19.423 -1.119 6.929 1.00 0.00 N ATOM 1320 CA LYS A 83 20.853 -1.204 7.200 1.00 0.00 C ATOM 1321 C LYS A 83 21.018 -2.357 8.179 1.00 0.00 C ATOM 1322 O LYS A 83 22.001 -3.114 8.052 1.00 0.00 O ATOM 1323 CB LYS A 83 21.397 0.100 7.814 1.00 0.00 C ATOM 1324 CG LYS A 83 21.633 1.195 6.763 1.00 0.00 C ATOM 1325 CD LYS A 83 22.165 2.511 7.359 1.00 0.00 C ATOM 1326 CE LYS A 83 23.487 2.397 8.138 1.00 0.00 C ATOM 1327 NZ LYS A 83 24.641 1.993 7.291 1.00 0.00 N ATOM 1328 OXT LYS A 83 20.147 -2.521 9.061 1.00 0.00 O ATOM 0 H LYS A 83 18.865 -1.253 7.772 1.00 0.00 H new ATOM 0 HA LYS A 83 21.412 -1.362 6.278 1.00 0.00 H new ATOM 0 HB2 LYS A 83 20.694 0.466 8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 83 22.333 -0.109 8.331 1.00 0.00 H new ATOM 0 HG2 LYS A 83 22.342 0.829 6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 83 20.698 1.394 6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 83 22.301 3.228 6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 83 21.405 2.922 8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 83 23.708 3.356 8.606 1.00 0.00 H new ATOM 0 HE3 LYS A 83 23.365 1.671 8.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 25.498 1.935 7.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 24.450 1.064 6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 24.783 2.697 6.539 1.00 0.00 H new TER 1342 LYS A 83