USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=20 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 9 GLN : amide:sc= 1.7 K(o=2.7,f=-4.9!) USER MOD Set 1.2: A 83 LYS NZ :NH3+ 180:sc= 1.03 (180deg=0) USER MOD Set 2.1: A 3 THR OG1 : rot 58:sc= 1.52 USER MOD Set 2.2: A 82 LYS NZ :NH3+ -159:sc= 1.1 (180deg=-0.00977) USER MOD Set 3.1: A 2 GLN : amide:sc= 1.81 K(o=3.7,f=-2.3) USER MOD Set 3.2: A 77 LYS NZ :NH3+ 167:sc= 1.19 (180deg=0) USER MOD Set 3.3: A 79 THR OG1 : rot 130:sc= 0.724 USER MOD Set 4.1: A 71 THR OG1 : rot 180:sc= -0.0053 USER MOD Set 4.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 74 HIS : no HE2:sc= -0.0247 K(o=-0.03,f=-1.2) USER MOD Set 5.1: A 54 THR OG1 : rot -58:sc= 0.746 USER MOD Set 5.2: A 57 GLN : amide:sc= -0.22 K(o=0.53,f=-5!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= 0.565 K(o=0.57,f=-2.1) USER MOD Single : A 14 THR OG1 : rot -100:sc= -0.787 USER MOD Single : A 15 ASN : amide:sc= 0.562 K(o=0.56,f=-0.37) USER MOD Single : A 20 THR OG1 : rot 87:sc= 1.01 USER MOD Single : A 21 ASN : amide:sc= 0.0547 K(o=0.055,f=-2.3!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -172:sc= 0 (180deg=-0.0804) USER MOD Single : A 26 SER OG : rot 81:sc= 1.2 USER MOD Single : A 27 MET CE :methyl 169:sc= 0 (180deg=-0.14) USER MOD Single : A 30 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.47) USER MOD Single : A 31 GLN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -140:sc= 1.28 (180deg=0.949) USER MOD Single : A 43 ASN : amide:sc= -0.0591 X(o=-0.059,f=-0.47) USER MOD Single : A 45 HIS : no HE2:sc= 1 K(o=1,f=-3.3!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 163:sc= 1.1 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 62 LYS NZ :NH3+ 171:sc= 1.18 (180deg=1.11) USER MOD Single : A 66 GLN : amide:sc= 0.565 K(o=0.56,f=-0.19) USER MOD Single : A 69 LYS NZ :NH3+ -162:sc= 1.23 (180deg=0.772) USER MOD Single : A 76 MET CE :methyl 175:sc= -0.212 (180deg=-0.244) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.831 -6.460 -1.184 1.00 0.00 N ATOM 2 CA ALA A 1 10.881 -5.607 -1.780 1.00 0.00 C ATOM 3 C ALA A 1 10.747 -4.197 -1.202 1.00 0.00 C ATOM 4 O ALA A 1 11.555 -3.801 -0.358 1.00 0.00 O ATOM 5 CB ALA A 1 10.851 -5.627 -3.321 1.00 0.00 C ATOM 0 H1 ALA A 1 9.908 -7.424 -1.567 1.00 0.00 H new ATOM 0 H2 ALA A 1 9.950 -6.487 -0.151 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.895 -6.070 -1.414 1.00 0.00 H new ATOM 0 HA ALA A 1 11.861 -6.005 -1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 1 11.642 -4.985 -3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 1 11.005 -6.646 -3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.885 -5.264 -3.671 1.00 0.00 H new ATOM 13 N GLN A 2 9.711 -3.448 -1.615 1.00 0.00 N ATOM 14 CA GLN A 2 9.353 -2.183 -0.981 1.00 0.00 C ATOM 15 C GLN A 2 9.015 -2.414 0.497 1.00 0.00 C ATOM 16 O GLN A 2 8.387 -3.425 0.826 1.00 0.00 O ATOM 17 CB GLN A 2 8.149 -1.547 -1.700 1.00 0.00 C ATOM 18 CG GLN A 2 8.445 -1.034 -3.118 1.00 0.00 C ATOM 19 CD GLN A 2 7.355 -0.067 -3.583 1.00 0.00 C ATOM 20 OE1 GLN A 2 6.409 -0.443 -4.273 1.00 0.00 O ATOM 21 NE2 GLN A 2 7.443 1.191 -3.180 1.00 0.00 N ATOM 0 H GLN A 2 9.105 -3.707 -2.394 1.00 0.00 H new ATOM 0 HA GLN A 2 10.203 -1.504 -1.051 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.346 -2.282 -1.755 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.781 -0.717 -1.098 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.413 -0.533 -3.134 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.510 -1.875 -3.808 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.233 1.489 -2.608 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.721 1.862 -3.441 1.00 0.00 H new ATOM 30 N THR A 3 9.373 -1.468 1.369 1.00 0.00 N ATOM 31 CA THR A 3 9.040 -1.502 2.790 1.00 0.00 C ATOM 32 C THR A 3 8.788 -0.078 3.297 1.00 0.00 C ATOM 33 O THR A 3 9.416 0.881 2.846 1.00 0.00 O ATOM 34 CB THR A 3 10.151 -2.208 3.602 1.00 0.00 C ATOM 35 OG1 THR A 3 11.460 -1.960 3.106 1.00 0.00 O ATOM 36 CG2 THR A 3 9.983 -3.730 3.625 1.00 0.00 C ATOM 0 H THR A 3 9.911 -0.644 1.100 1.00 0.00 H new ATOM 0 HA THR A 3 8.127 -2.081 2.927 1.00 0.00 H new ATOM 0 HB THR A 3 10.043 -1.786 4.601 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.630 -0.995 3.100 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.789 -4.176 4.208 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.024 -3.983 4.078 1.00 0.00 H new ATOM 0 HG23 THR A 3 10.016 -4.115 2.606 1.00 0.00 H new ATOM 44 N GLU A 4 7.888 0.058 4.273 1.00 0.00 N ATOM 45 CA GLU A 4 7.454 1.334 4.842 1.00 0.00 C ATOM 46 C GLU A 4 7.966 1.397 6.287 1.00 0.00 C ATOM 47 O GLU A 4 7.204 1.548 7.246 1.00 0.00 O ATOM 48 CB GLU A 4 5.928 1.482 4.702 1.00 0.00 C ATOM 49 CG GLU A 4 5.489 1.593 3.234 1.00 0.00 C ATOM 50 CD GLU A 4 3.965 1.770 3.115 1.00 0.00 C ATOM 51 OE1 GLU A 4 3.475 2.923 3.135 1.00 0.00 O ATOM 52 OE2 GLU A 4 3.237 0.759 2.983 1.00 0.00 O ATOM 0 H GLU A 4 7.427 -0.744 4.703 1.00 0.00 H new ATOM 0 HA GLU A 4 7.872 2.186 4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.438 0.624 5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.599 2.367 5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.993 2.438 2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.796 0.698 2.692 1.00 0.00 H new ATOM 59 N GLN A 5 9.277 1.179 6.437 1.00 0.00 N ATOM 60 CA GLN A 5 9.987 1.248 7.712 1.00 0.00 C ATOM 61 C GLN A 5 9.869 2.658 8.324 1.00 0.00 C ATOM 62 O GLN A 5 9.595 3.622 7.599 1.00 0.00 O ATOM 63 CB GLN A 5 11.477 0.918 7.481 1.00 0.00 C ATOM 64 CG GLN A 5 11.764 -0.437 6.822 1.00 0.00 C ATOM 65 CD GLN A 5 11.369 -1.623 7.705 1.00 0.00 C ATOM 66 OE1 GLN A 5 12.175 -2.135 8.477 1.00 0.00 O ATOM 67 NE2 GLN A 5 10.131 -2.088 7.624 1.00 0.00 N ATOM 0 H GLN A 5 9.886 0.944 5.653 1.00 0.00 H new ATOM 0 HA GLN A 5 9.544 0.529 8.400 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.912 1.702 6.861 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.990 0.950 8.442 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.224 -0.498 5.877 1.00 0.00 H new ATOM 0 HG3 GLN A 5 12.826 -0.503 6.587 1.00 0.00 H new ATOM 0 HE21 GLN A 5 9.466 -1.659 6.981 1.00 0.00 H new ATOM 0 HE22 GLN A 5 9.843 -2.875 8.205 1.00 0.00 H new ATOM 76 N PRO A 6 10.164 2.821 9.628 1.00 0.00 N ATOM 77 CA PRO A 6 10.648 4.093 10.158 1.00 0.00 C ATOM 78 C PRO A 6 11.805 4.638 9.292 1.00 0.00 C ATOM 79 O PRO A 6 12.510 3.839 8.666 1.00 0.00 O ATOM 80 CB PRO A 6 11.106 3.799 11.592 1.00 0.00 C ATOM 81 CG PRO A 6 10.329 2.540 11.971 1.00 0.00 C ATOM 82 CD PRO A 6 10.231 1.787 10.646 1.00 0.00 C ATOM 0 HA PRO A 6 9.874 4.860 10.146 1.00 0.00 H new ATOM 0 HB2 PRO A 6 12.182 3.635 11.643 1.00 0.00 H new ATOM 0 HB3 PRO A 6 10.878 4.627 12.263 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.851 1.956 12.730 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.345 2.779 12.374 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.095 1.140 10.495 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.347 1.149 10.619 1.00 0.00 H new ATOM 90 N PRO A 7 12.031 5.965 9.252 1.00 0.00 N ATOM 91 CA PRO A 7 13.048 6.572 8.404 1.00 0.00 C ATOM 92 C PRO A 7 14.422 5.901 8.497 1.00 0.00 C ATOM 93 O PRO A 7 14.888 5.552 9.586 1.00 0.00 O ATOM 94 CB PRO A 7 13.100 8.050 8.798 1.00 0.00 C ATOM 95 CG PRO A 7 11.676 8.322 9.277 1.00 0.00 C ATOM 96 CD PRO A 7 11.266 7.001 9.932 1.00 0.00 C ATOM 0 HA PRO A 7 12.777 6.443 7.356 1.00 0.00 H new ATOM 0 HB2 PRO A 7 13.833 8.234 9.583 1.00 0.00 H new ATOM 0 HB3 PRO A 7 13.371 8.684 7.954 1.00 0.00 H new ATOM 0 HG2 PRO A 7 11.641 9.150 9.985 1.00 0.00 H new ATOM 0 HG3 PRO A 7 11.016 8.582 8.449 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.484 7.010 11.000 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.195 6.829 9.827 1.00 0.00 H new ATOM 104 N ASN A 8 15.083 5.765 7.346 1.00 0.00 N ATOM 105 CA ASN A 8 16.406 5.171 7.193 1.00 0.00 C ATOM 106 C ASN A 8 17.147 5.952 6.108 1.00 0.00 C ATOM 107 O ASN A 8 16.518 6.465 5.184 1.00 0.00 O ATOM 108 CB ASN A 8 16.280 3.689 6.799 1.00 0.00 C ATOM 109 CG ASN A 8 17.642 3.086 6.482 1.00 0.00 C ATOM 110 OD1 ASN A 8 18.624 3.329 7.175 1.00 0.00 O ATOM 111 ND2 ASN A 8 17.748 2.357 5.389 1.00 0.00 N ATOM 0 H ASN A 8 14.691 6.080 6.459 1.00 0.00 H new ATOM 0 HA ASN A 8 16.956 5.220 8.133 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.813 3.132 7.612 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.627 3.595 5.932 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.656 1.986 5.109 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.922 2.163 4.823 1.00 0.00 H new ATOM 118 N GLN A 9 18.474 6.044 6.199 1.00 0.00 N ATOM 119 CA GLN A 9 19.323 6.818 5.290 1.00 0.00 C ATOM 120 C GLN A 9 19.443 6.196 3.885 1.00 0.00 C ATOM 121 O GLN A 9 20.230 6.685 3.077 1.00 0.00 O ATOM 122 CB GLN A 9 20.703 7.040 5.939 1.00 0.00 C ATOM 123 CG GLN A 9 21.568 5.768 5.979 1.00 0.00 C ATOM 124 CD GLN A 9 22.934 5.989 6.620 1.00 0.00 C ATOM 125 OE1 GLN A 9 23.278 5.329 7.600 1.00 0.00 O ATOM 126 NE2 GLN A 9 23.750 6.879 6.079 1.00 0.00 N ATOM 0 H GLN A 9 19.005 5.568 6.929 1.00 0.00 H new ATOM 0 HA GLN A 9 18.841 7.783 5.131 1.00 0.00 H new ATOM 0 HB2 GLN A 9 21.235 7.816 5.389 1.00 0.00 H new ATOM 0 HB3 GLN A 9 20.564 7.409 6.955 1.00 0.00 H new ATOM 0 HG2 GLN A 9 21.037 4.992 6.530 1.00 0.00 H new ATOM 0 HG3 GLN A 9 21.706 5.399 4.963 1.00 0.00 H new ATOM 0 HE21 GLN A 9 23.450 7.418 5.267 1.00 0.00 H new ATOM 0 HE22 GLN A 9 24.679 7.026 6.474 1.00 0.00 H new ATOM 135 N ILE A 10 18.727 5.107 3.594 1.00 0.00 N ATOM 136 CA ILE A 10 18.776 4.399 2.320 1.00 0.00 C ATOM 137 C ILE A 10 17.320 4.196 1.907 1.00 0.00 C ATOM 138 O ILE A 10 16.457 3.901 2.740 1.00 0.00 O ATOM 139 CB ILE A 10 19.555 3.057 2.412 1.00 0.00 C ATOM 140 CG1 ILE A 10 20.851 3.168 3.248 1.00 0.00 C ATOM 141 CG2 ILE A 10 19.867 2.521 0.996 1.00 0.00 C ATOM 142 CD1 ILE A 10 21.681 1.881 3.332 1.00 0.00 C ATOM 0 H ILE A 10 18.080 4.684 4.260 1.00 0.00 H new ATOM 0 HA ILE A 10 19.324 4.975 1.574 1.00 0.00 H new ATOM 0 HB ILE A 10 18.908 2.351 2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.473 3.956 2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 10 20.588 3.479 4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.413 1.581 1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 10 18.935 2.355 0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.474 3.249 0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 10 22.569 2.060 3.939 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.083 1.092 3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 10 21.982 1.576 2.330 1.00 0.00 H new ATOM 154 N LEU A 11 17.057 4.328 0.613 1.00 0.00 N ATOM 155 CA LEU A 11 15.742 4.285 0.001 1.00 0.00 C ATOM 156 C LEU A 11 15.790 3.233 -1.097 1.00 0.00 C ATOM 157 O LEU A 11 16.818 3.086 -1.761 1.00 0.00 O ATOM 158 CB LEU A 11 15.398 5.654 -0.612 1.00 0.00 C ATOM 159 CG LEU A 11 15.396 6.839 0.372 1.00 0.00 C ATOM 160 CD1 LEU A 11 15.141 8.144 -0.388 1.00 0.00 C ATOM 161 CD2 LEU A 11 14.352 6.640 1.476 1.00 0.00 C ATOM 0 H LEU A 11 17.798 4.476 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 11 14.982 4.043 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.112 5.866 -1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.414 5.588 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 11 16.374 6.893 0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.141 8.979 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.926 8.293 -1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.174 8.090 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.374 7.492 2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.361 6.557 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.577 5.729 2.030 1.00 0.00 H new ATOM 173 N PHE A 12 14.673 2.542 -1.303 1.00 0.00 N ATOM 174 CA PHE A 12 14.466 1.609 -2.397 1.00 0.00 C ATOM 175 C PHE A 12 13.367 2.206 -3.255 1.00 0.00 C ATOM 176 O PHE A 12 12.359 2.694 -2.733 1.00 0.00 O ATOM 177 CB PHE A 12 14.055 0.230 -1.875 1.00 0.00 C ATOM 178 CG PHE A 12 13.732 -0.754 -2.985 1.00 0.00 C ATOM 179 CD1 PHE A 12 14.743 -1.192 -3.860 1.00 0.00 C ATOM 180 CD2 PHE A 12 12.416 -1.214 -3.167 1.00 0.00 C ATOM 181 CE1 PHE A 12 14.455 -2.123 -4.872 1.00 0.00 C ATOM 182 CE2 PHE A 12 12.130 -2.164 -4.163 1.00 0.00 C ATOM 183 CZ PHE A 12 13.150 -2.623 -5.016 1.00 0.00 C ATOM 0 H PHE A 12 13.862 2.621 -0.690 1.00 0.00 H new ATOM 0 HA PHE A 12 15.384 1.463 -2.967 1.00 0.00 H new ATOM 0 HB2 PHE A 12 14.860 -0.175 -1.262 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.184 0.338 -1.228 1.00 0.00 H new ATOM 0 HD1 PHE A 12 15.747 -0.810 -3.753 1.00 0.00 H new ATOM 0 HD2 PHE A 12 11.622 -0.836 -2.540 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.237 -2.454 -5.539 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.125 -2.542 -4.274 1.00 0.00 H new ATOM 0 HZ PHE A 12 12.931 -3.356 -5.778 1.00 0.00 H new ATOM 193 N LEU A 13 13.573 2.193 -4.564 1.00 0.00 N ATOM 194 CA LEU A 13 12.756 2.901 -5.527 1.00 0.00 C ATOM 195 C LEU A 13 12.292 1.918 -6.587 1.00 0.00 C ATOM 196 O LEU A 13 13.033 0.999 -6.937 1.00 0.00 O ATOM 197 CB LEU A 13 13.581 4.007 -6.198 1.00 0.00 C ATOM 198 CG LEU A 13 13.697 5.321 -5.414 1.00 0.00 C ATOM 199 CD1 LEU A 13 14.558 5.217 -4.150 1.00 0.00 C ATOM 200 CD2 LEU A 13 14.309 6.366 -6.348 1.00 0.00 C ATOM 0 H LEU A 13 14.338 1.672 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 13 11.900 3.348 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.585 3.625 -6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.140 4.224 -7.171 1.00 0.00 H new ATOM 0 HG LEU A 13 12.696 5.593 -5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.591 6.186 -3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.127 4.477 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.569 4.914 -4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.405 7.314 -5.820 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.294 6.031 -6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.665 6.499 -7.217 1.00 0.00 H new ATOM 212 N THR A 14 11.096 2.148 -7.120 1.00 0.00 N ATOM 213 CA THR A 14 10.421 1.265 -8.069 1.00 0.00 C ATOM 214 C THR A 14 9.627 2.088 -9.101 1.00 0.00 C ATOM 215 O THR A 14 9.531 3.316 -8.987 1.00 0.00 O ATOM 216 CB THR A 14 9.526 0.267 -7.298 1.00 0.00 C ATOM 217 OG1 THR A 14 8.701 0.919 -6.356 1.00 0.00 O ATOM 218 CG2 THR A 14 10.309 -0.782 -6.510 1.00 0.00 C ATOM 0 H THR A 14 10.551 2.981 -6.897 1.00 0.00 H new ATOM 0 HA THR A 14 11.159 0.689 -8.627 1.00 0.00 H new ATOM 0 HB THR A 14 8.944 -0.216 -8.083 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.095 0.834 -5.463 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.613 -1.445 -5.996 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.927 -1.364 -7.194 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.946 -0.286 -5.777 1.00 0.00 H new ATOM 226 N ASN A 15 9.034 1.412 -10.096 1.00 0.00 N ATOM 227 CA ASN A 15 8.270 1.996 -11.207 1.00 0.00 C ATOM 228 C ASN A 15 9.073 3.041 -11.998 1.00 0.00 C ATOM 229 O ASN A 15 8.530 4.017 -12.520 1.00 0.00 O ATOM 230 CB ASN A 15 6.908 2.512 -10.713 1.00 0.00 C ATOM 231 CG ASN A 15 5.967 2.855 -11.866 1.00 0.00 C ATOM 232 OD1 ASN A 15 5.708 2.031 -12.738 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.404 4.051 -11.877 1.00 0.00 N ATOM 0 H ASN A 15 9.077 0.394 -10.150 1.00 0.00 H new ATOM 0 HA ASN A 15 8.069 1.204 -11.928 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.443 1.756 -10.080 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.059 3.397 -10.095 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.746 4.298 -12.616 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.628 4.727 -11.146 1.00 0.00 H new ATOM 240 N LEU A 16 10.391 2.860 -12.051 1.00 0.00 N ATOM 241 CA LEU A 16 11.320 3.744 -12.745 1.00 0.00 C ATOM 242 C LEU A 16 11.288 3.433 -14.251 1.00 0.00 C ATOM 243 O LEU A 16 10.789 2.368 -14.631 1.00 0.00 O ATOM 244 CB LEU A 16 12.733 3.536 -12.169 1.00 0.00 C ATOM 245 CG LEU A 16 12.835 3.544 -10.632 1.00 0.00 C ATOM 246 CD1 LEU A 16 14.284 3.315 -10.208 1.00 0.00 C ATOM 247 CD2 LEU A 16 12.323 4.846 -10.008 1.00 0.00 C ATOM 0 H LEU A 16 10.853 2.071 -11.599 1.00 0.00 H new ATOM 0 HA LEU A 16 11.033 4.786 -12.602 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.118 2.585 -12.536 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.384 4.317 -12.562 1.00 0.00 H new ATOM 0 HG LEU A 16 12.198 2.737 -10.269 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.350 3.322 -9.120 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.626 2.352 -10.586 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.912 4.108 -10.614 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.420 4.793 -8.924 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.909 5.685 -10.384 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.275 4.988 -10.272 1.00 0.00 H new ATOM 259 N PRO A 17 11.789 4.328 -15.124 1.00 0.00 N ATOM 260 CA PRO A 17 11.999 4.035 -16.535 1.00 0.00 C ATOM 261 C PRO A 17 12.751 2.713 -16.730 1.00 0.00 C ATOM 262 O PRO A 17 13.678 2.386 -15.985 1.00 0.00 O ATOM 263 CB PRO A 17 12.793 5.209 -17.111 1.00 0.00 C ATOM 264 CG PRO A 17 12.554 6.357 -16.139 1.00 0.00 C ATOM 265 CD PRO A 17 12.139 5.705 -14.822 1.00 0.00 C ATOM 0 HA PRO A 17 11.045 3.918 -17.048 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.854 4.970 -17.187 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.451 5.463 -18.114 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.456 6.956 -16.012 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.776 7.026 -16.507 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.952 5.747 -14.098 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.292 6.231 -14.381 1.00 0.00 H new ATOM 273 N GLU A 18 12.460 2.005 -17.819 1.00 0.00 N ATOM 274 CA GLU A 18 13.238 0.840 -18.251 1.00 0.00 C ATOM 275 C GLU A 18 14.608 1.240 -18.840 1.00 0.00 C ATOM 276 O GLU A 18 15.328 0.407 -19.389 1.00 0.00 O ATOM 277 CB GLU A 18 12.390 -0.014 -19.204 1.00 0.00 C ATOM 278 CG GLU A 18 11.996 0.687 -20.514 1.00 0.00 C ATOM 279 CD GLU A 18 11.075 -0.202 -21.369 1.00 0.00 C ATOM 280 OE1 GLU A 18 11.574 -1.081 -22.109 1.00 0.00 O ATOM 281 OE2 GLU A 18 9.836 -0.023 -21.327 1.00 0.00 O ATOM 0 H GLU A 18 11.674 2.222 -18.432 1.00 0.00 H new ATOM 0 HA GLU A 18 13.479 0.229 -17.381 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.942 -0.922 -19.445 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.482 -0.321 -18.685 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.491 1.626 -20.289 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.894 0.935 -21.080 1.00 0.00 H new ATOM 288 N GLU A 19 14.967 2.520 -18.715 1.00 0.00 N ATOM 289 CA GLU A 19 16.159 3.159 -19.236 1.00 0.00 C ATOM 290 C GLU A 19 16.858 4.016 -18.159 1.00 0.00 C ATOM 291 O GLU A 19 17.748 4.804 -18.486 1.00 0.00 O ATOM 292 CB GLU A 19 15.785 4.025 -20.459 1.00 0.00 C ATOM 293 CG GLU A 19 15.072 3.285 -21.604 1.00 0.00 C ATOM 294 CD GLU A 19 15.906 2.165 -22.266 1.00 0.00 C ATOM 295 OE1 GLU A 19 17.158 2.196 -22.225 1.00 0.00 O ATOM 296 OE2 GLU A 19 15.311 1.270 -22.910 1.00 0.00 O ATOM 0 H GLU A 19 14.380 3.181 -18.206 1.00 0.00 H new ATOM 0 HA GLU A 19 16.862 2.384 -19.541 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.144 4.840 -20.122 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.695 4.477 -20.854 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.148 2.853 -21.220 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.791 4.010 -22.368 1.00 0.00 H new ATOM 303 N THR A 20 16.448 3.917 -16.885 1.00 0.00 N ATOM 304 CA THR A 20 17.024 4.710 -15.799 1.00 0.00 C ATOM 305 C THR A 20 18.513 4.380 -15.670 1.00 0.00 C ATOM 306 O THR A 20 18.927 3.234 -15.874 1.00 0.00 O ATOM 307 CB THR A 20 16.277 4.457 -14.474 1.00 0.00 C ATOM 308 OG1 THR A 20 14.896 4.401 -14.705 1.00 0.00 O ATOM 309 CG2 THR A 20 16.457 5.602 -13.471 1.00 0.00 C ATOM 0 H THR A 20 15.708 3.284 -16.583 1.00 0.00 H new ATOM 0 HA THR A 20 16.915 5.770 -16.030 1.00 0.00 H new ATOM 0 HB THR A 20 16.686 3.527 -14.079 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.642 3.487 -14.951 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.911 5.373 -12.556 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.516 5.722 -13.241 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.072 6.527 -13.901 1.00 0.00 H new ATOM 317 N ASN A 21 19.317 5.372 -15.297 1.00 0.00 N ATOM 318 CA ASN A 21 20.749 5.227 -15.090 1.00 0.00 C ATOM 319 C ASN A 21 21.102 5.949 -13.793 1.00 0.00 C ATOM 320 O ASN A 21 20.352 6.824 -13.356 1.00 0.00 O ATOM 321 CB ASN A 21 21.511 5.812 -16.294 1.00 0.00 C ATOM 322 CG ASN A 21 23.025 5.641 -16.178 1.00 0.00 C ATOM 323 OD1 ASN A 21 23.515 4.683 -15.589 1.00 0.00 O ATOM 324 ND2 ASN A 21 23.797 6.578 -16.702 1.00 0.00 N ATOM 0 H ASN A 21 18.980 6.320 -15.127 1.00 0.00 H new ATOM 0 HA ASN A 21 21.034 4.178 -15.009 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.164 5.328 -17.207 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.276 6.872 -16.386 1.00 0.00 H new ATOM 0 HD21 ASN A 21 24.811 6.509 -16.619 1.00 0.00 H new ATOM 0 HD22 ASN A 21 23.378 7.370 -17.190 1.00 0.00 H new ATOM 331 N GLU A 22 22.246 5.616 -13.197 1.00 0.00 N ATOM 332 CA GLU A 22 22.737 6.199 -11.949 1.00 0.00 C ATOM 333 C GLU A 22 22.732 7.728 -12.024 1.00 0.00 C ATOM 334 O GLU A 22 22.356 8.404 -11.066 1.00 0.00 O ATOM 335 CB GLU A 22 24.143 5.634 -11.685 1.00 0.00 C ATOM 336 CG GLU A 22 24.665 5.925 -10.274 1.00 0.00 C ATOM 337 CD GLU A 22 26.109 5.417 -10.090 1.00 0.00 C ATOM 338 OE1 GLU A 22 26.331 4.185 -10.058 1.00 0.00 O ATOM 339 OE2 GLU A 22 27.039 6.247 -9.977 1.00 0.00 O ATOM 0 H GLU A 22 22.876 4.912 -13.581 1.00 0.00 H new ATOM 0 HA GLU A 22 22.083 5.934 -11.118 1.00 0.00 H new ATOM 0 HB2 GLU A 22 24.128 4.556 -11.843 1.00 0.00 H new ATOM 0 HB3 GLU A 22 24.837 6.053 -12.414 1.00 0.00 H new ATOM 0 HG2 GLU A 22 24.629 6.998 -10.086 1.00 0.00 H new ATOM 0 HG3 GLU A 22 24.015 5.450 -9.539 1.00 0.00 H new ATOM 346 N MET A 23 23.083 8.269 -13.194 1.00 0.00 N ATOM 347 CA MET A 23 23.167 9.706 -13.428 1.00 0.00 C ATOM 348 C MET A 23 21.809 10.395 -13.304 1.00 0.00 C ATOM 349 O MET A 23 21.754 11.515 -12.803 1.00 0.00 O ATOM 350 CB MET A 23 23.769 9.985 -14.814 1.00 0.00 C ATOM 351 CG MET A 23 25.213 9.488 -14.958 1.00 0.00 C ATOM 352 SD MET A 23 26.407 10.263 -13.829 1.00 0.00 S ATOM 353 CE MET A 23 27.912 9.384 -14.334 1.00 0.00 C ATOM 0 H MET A 23 23.319 7.710 -14.014 1.00 0.00 H new ATOM 0 HA MET A 23 23.816 10.119 -12.656 1.00 0.00 H new ATOM 0 HB2 MET A 23 23.150 9.508 -15.574 1.00 0.00 H new ATOM 0 HB3 MET A 23 23.740 11.058 -15.006 1.00 0.00 H new ATOM 0 HG2 MET A 23 25.228 8.410 -14.795 1.00 0.00 H new ATOM 0 HG3 MET A 23 25.540 9.660 -15.983 1.00 0.00 H new ATOM 0 HE1 MET A 23 28.755 9.736 -13.740 1.00 0.00 H new ATOM 0 HE2 MET A 23 27.778 8.314 -14.177 1.00 0.00 H new ATOM 0 HE3 MET A 23 28.107 9.574 -15.389 1.00 0.00 H new ATOM 363 N MET A 24 20.718 9.741 -13.721 1.00 0.00 N ATOM 364 CA MET A 24 19.381 10.339 -13.675 1.00 0.00 C ATOM 365 C MET A 24 18.990 10.599 -12.230 1.00 0.00 C ATOM 366 O MET A 24 18.649 11.719 -11.847 1.00 0.00 O ATOM 367 CB MET A 24 18.324 9.431 -14.332 1.00 0.00 C ATOM 368 CG MET A 24 18.435 9.415 -15.856 1.00 0.00 C ATOM 369 SD MET A 24 18.112 10.994 -16.698 1.00 0.00 S ATOM 370 CE MET A 24 16.344 11.224 -16.345 1.00 0.00 C ATOM 0 H MET A 24 20.737 8.793 -14.096 1.00 0.00 H new ATOM 0 HA MET A 24 19.416 11.274 -14.233 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.435 8.415 -13.952 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.329 9.772 -14.047 1.00 0.00 H new ATOM 0 HG2 MET A 24 19.438 9.082 -16.123 1.00 0.00 H new ATOM 0 HG3 MET A 24 17.739 8.671 -16.243 1.00 0.00 H new ATOM 0 HE1 MET A 24 15.967 12.074 -16.913 1.00 0.00 H new ATOM 0 HE2 MET A 24 15.796 10.326 -16.630 1.00 0.00 H new ATOM 0 HE3 MET A 24 16.207 11.410 -15.280 1.00 0.00 H new ATOM 380 N LEU A 25 19.070 9.554 -11.408 1.00 0.00 N ATOM 381 CA LEU A 25 18.645 9.669 -10.023 1.00 0.00 C ATOM 382 C LEU A 25 19.639 10.523 -9.245 1.00 0.00 C ATOM 383 O LEU A 25 19.218 11.246 -8.348 1.00 0.00 O ATOM 384 CB LEU A 25 18.506 8.293 -9.364 1.00 0.00 C ATOM 385 CG LEU A 25 17.474 7.363 -10.024 1.00 0.00 C ATOM 386 CD1 LEU A 25 17.344 6.098 -9.177 1.00 0.00 C ATOM 387 CD2 LEU A 25 16.108 8.041 -10.189 1.00 0.00 C ATOM 0 H LEU A 25 19.420 8.634 -11.675 1.00 0.00 H new ATOM 0 HA LEU A 25 17.666 10.147 -10.009 1.00 0.00 H new ATOM 0 HB2 LEU A 25 19.478 7.800 -9.376 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.232 8.433 -8.318 1.00 0.00 H new ATOM 0 HG LEU A 25 17.822 7.113 -11.026 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.615 5.428 -9.633 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.311 5.597 -9.120 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.014 6.365 -8.173 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.412 7.347 -10.659 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.726 8.332 -9.211 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.215 8.927 -10.815 1.00 0.00 H new ATOM 399 N SER A 26 20.930 10.494 -9.589 1.00 0.00 N ATOM 400 CA SER A 26 21.909 11.355 -8.940 1.00 0.00 C ATOM 401 C SER A 26 21.565 12.814 -9.223 1.00 0.00 C ATOM 402 O SER A 26 21.497 13.614 -8.296 1.00 0.00 O ATOM 403 CB SER A 26 23.333 11.017 -9.396 1.00 0.00 C ATOM 404 OG SER A 26 23.639 9.666 -9.113 1.00 0.00 O ATOM 0 H SER A 26 21.315 9.885 -10.311 1.00 0.00 H new ATOM 0 HA SER A 26 21.873 11.187 -7.864 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.431 11.201 -10.466 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.046 11.670 -8.893 1.00 0.00 H new ATOM 0 HG SER A 26 23.252 9.091 -9.805 1.00 0.00 H new ATOM 410 N MET A 27 21.263 13.152 -10.479 1.00 0.00 N ATOM 411 CA MET A 27 20.848 14.490 -10.871 1.00 0.00 C ATOM 412 C MET A 27 19.598 14.915 -10.091 1.00 0.00 C ATOM 413 O MET A 27 19.534 16.053 -9.627 1.00 0.00 O ATOM 414 CB MET A 27 20.621 14.509 -12.391 1.00 0.00 C ATOM 415 CG MET A 27 20.107 15.854 -12.909 1.00 0.00 C ATOM 416 SD MET A 27 19.856 15.935 -14.706 1.00 0.00 S ATOM 417 CE MET A 27 18.479 14.768 -14.913 1.00 0.00 C ATOM 0 H MET A 27 21.302 12.493 -11.257 1.00 0.00 H new ATOM 0 HA MET A 27 21.626 15.214 -10.629 1.00 0.00 H new ATOM 0 HB2 MET A 27 21.557 14.267 -12.894 1.00 0.00 H new ATOM 0 HB3 MET A 27 19.907 13.729 -12.655 1.00 0.00 H new ATOM 0 HG2 MET A 27 19.163 16.081 -12.414 1.00 0.00 H new ATOM 0 HG3 MET A 27 20.813 16.632 -12.620 1.00 0.00 H new ATOM 0 HE1 MET A 27 18.080 14.851 -15.924 1.00 0.00 H new ATOM 0 HE2 MET A 27 18.835 13.752 -14.746 1.00 0.00 H new ATOM 0 HE3 MET A 27 17.694 15.000 -14.193 1.00 0.00 H new ATOM 427 N LEU A 28 18.615 14.019 -9.928 1.00 0.00 N ATOM 428 CA LEU A 28 17.372 14.355 -9.237 1.00 0.00 C ATOM 429 C LEU A 28 17.593 14.537 -7.737 1.00 0.00 C ATOM 430 O LEU A 28 17.220 15.574 -7.188 1.00 0.00 O ATOM 431 CB LEU A 28 16.286 13.297 -9.510 1.00 0.00 C ATOM 432 CG LEU A 28 15.753 13.298 -10.957 1.00 0.00 C ATOM 433 CD1 LEU A 28 14.789 12.124 -11.156 1.00 0.00 C ATOM 434 CD2 LEU A 28 15.036 14.604 -11.322 1.00 0.00 C ATOM 0 H LEU A 28 18.661 13.058 -10.267 1.00 0.00 H new ATOM 0 HA LEU A 28 17.025 15.309 -9.634 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.691 12.310 -9.284 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.453 13.463 -8.827 1.00 0.00 H new ATOM 0 HG LEU A 28 16.617 13.201 -11.614 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.415 12.130 -12.180 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.313 11.187 -10.966 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.952 12.219 -10.464 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.682 14.549 -12.351 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.188 14.752 -10.654 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.728 15.440 -11.221 1.00 0.00 H new ATOM 446 N PHE A 29 18.185 13.553 -7.064 1.00 0.00 N ATOM 447 CA PHE A 29 18.256 13.549 -5.606 1.00 0.00 C ATOM 448 C PHE A 29 19.405 14.406 -5.059 1.00 0.00 C ATOM 449 O PHE A 29 19.286 14.914 -3.945 1.00 0.00 O ATOM 450 CB PHE A 29 18.368 12.113 -5.080 1.00 0.00 C ATOM 451 CG PHE A 29 17.071 11.327 -5.077 1.00 0.00 C ATOM 452 CD1 PHE A 29 16.611 10.679 -6.237 1.00 0.00 C ATOM 453 CD2 PHE A 29 16.333 11.217 -3.883 1.00 0.00 C ATOM 454 CE1 PHE A 29 15.421 9.938 -6.200 1.00 0.00 C ATOM 455 CE2 PHE A 29 15.139 10.482 -3.845 1.00 0.00 C ATOM 456 CZ PHE A 29 14.681 9.848 -5.008 1.00 0.00 C ATOM 0 H PHE A 29 18.624 12.746 -7.507 1.00 0.00 H new ATOM 0 HA PHE A 29 17.330 13.998 -5.248 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.099 11.577 -5.685 1.00 0.00 H new ATOM 0 HB3 PHE A 29 18.758 12.144 -4.063 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.174 10.752 -7.156 1.00 0.00 H new ATOM 0 HD2 PHE A 29 16.690 11.704 -2.987 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.072 9.435 -7.090 1.00 0.00 H new ATOM 0 HE2 PHE A 29 14.577 10.405 -2.926 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.757 9.289 -4.988 1.00 0.00 H new ATOM 466 N ASN A 30 20.502 14.623 -5.796 1.00 0.00 N ATOM 467 CA ASN A 30 21.626 15.429 -5.300 1.00 0.00 C ATOM 468 C ASN A 30 21.256 16.910 -5.116 1.00 0.00 C ATOM 469 O ASN A 30 22.019 17.671 -4.522 1.00 0.00 O ATOM 470 CB ASN A 30 22.860 15.270 -6.196 1.00 0.00 C ATOM 471 CG ASN A 30 24.088 15.998 -5.655 1.00 0.00 C ATOM 472 OD1 ASN A 30 24.515 15.777 -4.524 1.00 0.00 O ATOM 473 ND2 ASN A 30 24.699 16.863 -6.450 1.00 0.00 N ATOM 0 H ASN A 30 20.635 14.252 -6.737 1.00 0.00 H new ATOM 0 HA ASN A 30 21.874 15.045 -4.310 1.00 0.00 H new ATOM 0 HB2 ASN A 30 23.091 14.210 -6.303 1.00 0.00 H new ATOM 0 HB3 ASN A 30 22.630 15.648 -7.192 1.00 0.00 H new ATOM 0 HD21 ASN A 30 25.532 17.353 -6.125 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.336 17.039 -7.387 1.00 0.00 H new ATOM 480 N GLN A 31 20.081 17.333 -5.599 1.00 0.00 N ATOM 481 CA GLN A 31 19.522 18.646 -5.307 1.00 0.00 C ATOM 482 C GLN A 31 19.356 18.855 -3.793 1.00 0.00 C ATOM 483 O GLN A 31 19.462 19.989 -3.321 1.00 0.00 O ATOM 484 CB GLN A 31 18.163 18.812 -6.010 1.00 0.00 C ATOM 485 CG GLN A 31 18.274 18.796 -7.542 1.00 0.00 C ATOM 486 CD GLN A 31 16.909 18.988 -8.201 1.00 0.00 C ATOM 487 OE1 GLN A 31 16.584 20.060 -8.707 1.00 0.00 O ATOM 488 NE2 GLN A 31 16.072 17.962 -8.200 1.00 0.00 N ATOM 0 H GLN A 31 19.492 16.764 -6.207 1.00 0.00 H new ATOM 0 HA GLN A 31 20.216 19.398 -5.682 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.495 18.012 -5.691 1.00 0.00 H new ATOM 0 HB3 GLN A 31 17.709 19.751 -5.694 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.951 19.585 -7.868 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.707 17.850 -7.867 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.351 17.077 -7.778 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.148 18.057 -8.622 1.00 0.00 H new ATOM 497 N PHE A 32 19.098 17.787 -3.030 1.00 0.00 N ATOM 498 CA PHE A 32 18.921 17.862 -1.585 1.00 0.00 C ATOM 499 C PHE A 32 20.304 17.823 -0.914 1.00 0.00 C ATOM 500 O PHE A 32 21.142 17.007 -1.313 1.00 0.00 O ATOM 501 CB PHE A 32 18.023 16.708 -1.117 1.00 0.00 C ATOM 502 CG PHE A 32 16.729 16.589 -1.905 1.00 0.00 C ATOM 503 CD1 PHE A 32 15.803 17.652 -1.930 1.00 0.00 C ATOM 504 CD2 PHE A 32 16.486 15.443 -2.682 1.00 0.00 C ATOM 505 CE1 PHE A 32 14.665 17.577 -2.753 1.00 0.00 C ATOM 506 CE2 PHE A 32 15.347 15.363 -3.497 1.00 0.00 C ATOM 507 CZ PHE A 32 14.447 16.437 -3.549 1.00 0.00 C ATOM 0 H PHE A 32 19.007 16.843 -3.405 1.00 0.00 H new ATOM 0 HA PHE A 32 18.431 18.794 -1.304 1.00 0.00 H new ATOM 0 HB2 PHE A 32 18.576 15.772 -1.198 1.00 0.00 H new ATOM 0 HB3 PHE A 32 17.785 16.848 -0.062 1.00 0.00 H new ATOM 0 HD1 PHE A 32 15.968 18.525 -1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.182 14.618 -2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.959 18.394 -2.774 1.00 0.00 H new ATOM 0 HE2 PHE A 32 15.163 14.475 -4.084 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.586 16.389 -4.200 1.00 0.00 H new ATOM 517 N PRO A 33 20.558 18.640 0.126 1.00 0.00 N ATOM 518 CA PRO A 33 21.887 18.857 0.711 1.00 0.00 C ATOM 519 C PRO A 33 22.385 17.695 1.601 1.00 0.00 C ATOM 520 O PRO A 33 23.146 17.917 2.546 1.00 0.00 O ATOM 521 CB PRO A 33 21.753 20.187 1.470 1.00 0.00 C ATOM 522 CG PRO A 33 20.304 20.166 1.946 1.00 0.00 C ATOM 523 CD PRO A 33 19.590 19.532 0.754 1.00 0.00 C ATOM 0 HA PRO A 33 22.657 18.896 -0.060 1.00 0.00 H new ATOM 0 HB2 PRO A 33 22.451 20.247 2.305 1.00 0.00 H new ATOM 0 HB3 PRO A 33 21.953 21.042 0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 33 20.181 19.578 2.856 1.00 0.00 H new ATOM 0 HG3 PRO A 33 19.930 21.167 2.161 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.706 18.982 1.077 1.00 0.00 H new ATOM 0 HD3 PRO A 33 19.251 20.295 0.053 1.00 0.00 H new ATOM 531 N GLY A 34 21.957 16.459 1.332 1.00 0.00 N ATOM 532 CA GLY A 34 22.299 15.278 2.119 1.00 0.00 C ATOM 533 C GLY A 34 22.441 14.005 1.292 1.00 0.00 C ATOM 534 O GLY A 34 22.699 12.953 1.874 1.00 0.00 O ATOM 0 H GLY A 34 21.348 16.250 0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.235 15.463 2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.531 15.124 2.877 1.00 0.00 H new ATOM 538 N PHE A 35 22.256 14.071 -0.032 1.00 0.00 N ATOM 539 CA PHE A 35 22.512 12.975 -0.945 1.00 0.00 C ATOM 540 C PHE A 35 23.925 12.438 -0.747 1.00 0.00 C ATOM 541 O PHE A 35 24.856 13.191 -0.435 1.00 0.00 O ATOM 542 CB PHE A 35 22.352 13.524 -2.360 1.00 0.00 C ATOM 543 CG PHE A 35 22.727 12.572 -3.475 1.00 0.00 C ATOM 544 CD1 PHE A 35 24.053 12.502 -3.952 1.00 0.00 C ATOM 545 CD2 PHE A 35 21.735 11.771 -4.061 1.00 0.00 C ATOM 546 CE1 PHE A 35 24.376 11.633 -5.009 1.00 0.00 C ATOM 547 CE2 PHE A 35 22.048 10.940 -5.144 1.00 0.00 C ATOM 548 CZ PHE A 35 23.368 10.869 -5.616 1.00 0.00 C ATOM 0 H PHE A 35 21.916 14.912 -0.499 1.00 0.00 H new ATOM 0 HA PHE A 35 21.818 12.154 -0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 35 21.314 13.827 -2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 35 22.961 14.423 -2.453 1.00 0.00 H new ATOM 0 HD1 PHE A 35 24.820 13.116 -3.505 1.00 0.00 H new ATOM 0 HD2 PHE A 35 20.726 11.795 -3.675 1.00 0.00 H new ATOM 0 HE1 PHE A 35 25.397 11.554 -5.353 1.00 0.00 H new ATOM 0 HE2 PHE A 35 21.274 10.354 -5.616 1.00 0.00 H new ATOM 0 HZ PHE A 35 23.608 10.225 -6.449 1.00 0.00 H new ATOM 558 N LYS A 36 24.085 11.139 -0.990 1.00 0.00 N ATOM 559 CA LYS A 36 25.356 10.453 -0.803 1.00 0.00 C ATOM 560 C LYS A 36 25.654 9.454 -1.919 1.00 0.00 C ATOM 561 O LYS A 36 26.799 9.425 -2.372 1.00 0.00 O ATOM 562 CB LYS A 36 25.370 9.809 0.595 1.00 0.00 C ATOM 563 CG LYS A 36 26.790 9.762 1.176 1.00 0.00 C ATOM 564 CD LYS A 36 26.825 9.327 2.651 1.00 0.00 C ATOM 565 CE LYS A 36 26.310 7.903 2.900 1.00 0.00 C ATOM 566 NZ LYS A 36 27.199 6.864 2.325 1.00 0.00 N ATOM 0 H LYS A 36 23.334 10.534 -1.323 1.00 0.00 H new ATOM 0 HA LYS A 36 26.165 11.181 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 36 24.720 10.373 1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 36 24.966 8.798 0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 36 27.395 9.073 0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 36 27.247 10.747 1.083 1.00 0.00 H new ATOM 0 HD2 LYS A 36 27.850 9.399 3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 36 26.228 10.025 3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 36 26.213 7.739 3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 36 25.313 7.801 2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 26.622 6.108 1.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 27.801 7.290 1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 27.798 6.465 3.076 1.00 0.00 H new ATOM 580 N GLU A 37 24.684 8.662 -2.396 1.00 0.00 N ATOM 581 CA GLU A 37 24.937 7.690 -3.468 1.00 0.00 C ATOM 582 C GLU A 37 23.634 7.240 -4.151 1.00 0.00 C ATOM 583 O GLU A 37 22.541 7.445 -3.621 1.00 0.00 O ATOM 584 CB GLU A 37 25.678 6.462 -2.878 1.00 0.00 C ATOM 585 CG GLU A 37 26.627 5.790 -3.881 1.00 0.00 C ATOM 586 CD GLU A 37 27.331 4.567 -3.267 1.00 0.00 C ATOM 587 OE1 GLU A 37 26.707 3.486 -3.181 1.00 0.00 O ATOM 588 OE2 GLU A 37 28.517 4.677 -2.877 1.00 0.00 O ATOM 0 H GLU A 37 23.722 8.675 -2.058 1.00 0.00 H new ATOM 0 HA GLU A 37 25.554 8.171 -4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.247 6.775 -2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 37 24.944 5.732 -2.537 1.00 0.00 H new ATOM 0 HG2 GLU A 37 26.066 5.482 -4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 37 27.374 6.511 -4.214 1.00 0.00 H new ATOM 595 N VAL A 38 23.765 6.569 -5.298 1.00 0.00 N ATOM 596 CA VAL A 38 22.717 5.848 -6.027 1.00 0.00 C ATOM 597 C VAL A 38 23.312 4.489 -6.404 1.00 0.00 C ATOM 598 O VAL A 38 24.503 4.396 -6.716 1.00 0.00 O ATOM 599 CB VAL A 38 22.282 6.627 -7.290 1.00 0.00 C ATOM 600 CG1 VAL A 38 21.359 5.834 -8.231 1.00 0.00 C ATOM 601 CG2 VAL A 38 21.544 7.906 -6.901 1.00 0.00 C ATOM 0 H VAL A 38 24.665 6.511 -5.774 1.00 0.00 H new ATOM 0 HA VAL A 38 21.824 5.731 -5.413 1.00 0.00 H new ATOM 0 HB VAL A 38 23.210 6.837 -7.822 1.00 0.00 H new ATOM 0 HG11 VAL A 38 21.100 6.451 -9.092 1.00 0.00 H new ATOM 0 HG12 VAL A 38 21.872 4.934 -8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 38 20.450 5.554 -7.698 1.00 0.00 H new ATOM 0 HG21 VAL A 38 21.245 8.442 -7.802 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.658 7.652 -6.319 1.00 0.00 H new ATOM 0 HG23 VAL A 38 22.201 8.538 -6.304 1.00 0.00 H new ATOM 611 N ARG A 39 22.478 3.446 -6.424 1.00 0.00 N ATOM 612 CA ARG A 39 22.827 2.114 -6.905 1.00 0.00 C ATOM 613 C ARG A 39 21.667 1.646 -7.780 1.00 0.00 C ATOM 614 O ARG A 39 20.614 1.255 -7.275 1.00 0.00 O ATOM 615 CB ARG A 39 23.126 1.163 -5.730 1.00 0.00 C ATOM 616 CG ARG A 39 24.394 1.573 -4.958 1.00 0.00 C ATOM 617 CD ARG A 39 24.741 0.602 -3.823 1.00 0.00 C ATOM 618 NE ARG A 39 23.774 0.661 -2.710 1.00 0.00 N ATOM 619 CZ ARG A 39 23.843 1.483 -1.653 1.00 0.00 C ATOM 620 NH1 ARG A 39 24.766 2.428 -1.548 1.00 0.00 N ATOM 621 NH2 ARG A 39 22.982 1.380 -0.650 1.00 0.00 N ATOM 0 H ARG A 39 21.514 3.511 -6.096 1.00 0.00 H new ATOM 0 HA ARG A 39 23.743 2.126 -7.496 1.00 0.00 H new ATOM 0 HB2 ARG A 39 22.275 1.152 -5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 39 23.245 0.148 -6.108 1.00 0.00 H new ATOM 0 HG2 ARG A 39 25.233 1.629 -5.651 1.00 0.00 H new ATOM 0 HG3 ARG A 39 24.255 2.572 -4.545 1.00 0.00 H new ATOM 0 HD2 ARG A 39 24.775 -0.414 -4.217 1.00 0.00 H new ATOM 0 HD3 ARG A 39 25.738 0.831 -3.446 1.00 0.00 H new ATOM 0 HE ARG A 39 22.982 0.019 -2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 39 25.458 2.550 -2.288 1.00 0.00 H new ATOM 0 HH12 ARG A 39 24.785 3.034 -0.727 1.00 0.00 H new ATOM 0 HH21 ARG A 39 22.253 0.667 -0.675 1.00 0.00 H new ATOM 0 HH22 ARG A 39 23.049 2.014 0.147 1.00 0.00 H new ATOM 635 N LEU A 40 21.829 1.782 -9.097 1.00 0.00 N ATOM 636 CA LEU A 40 20.906 1.257 -10.097 1.00 0.00 C ATOM 637 C LEU A 40 20.981 -0.271 -10.089 1.00 0.00 C ATOM 638 O LEU A 40 21.882 -0.867 -9.494 1.00 0.00 O ATOM 639 CB LEU A 40 21.281 1.834 -11.486 1.00 0.00 C ATOM 640 CG LEU A 40 20.151 2.556 -12.243 1.00 0.00 C ATOM 641 CD1 LEU A 40 18.975 1.635 -12.575 1.00 0.00 C ATOM 642 CD2 LEU A 40 19.656 3.795 -11.491 1.00 0.00 C ATOM 0 H LEU A 40 22.625 2.272 -9.505 1.00 0.00 H new ATOM 0 HA LEU A 40 19.882 1.553 -9.869 1.00 0.00 H new ATOM 0 HB2 LEU A 40 22.108 2.532 -11.357 1.00 0.00 H new ATOM 0 HB3 LEU A 40 21.646 1.018 -12.110 1.00 0.00 H new ATOM 0 HG LEU A 40 20.592 2.878 -13.186 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.210 2.199 -13.108 1.00 0.00 H new ATOM 0 HD12 LEU A 40 19.322 0.813 -13.201 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.554 1.235 -11.652 1.00 0.00 H new ATOM 0 HD21 LEU A 40 18.859 4.273 -12.061 1.00 0.00 H new ATOM 0 HD22 LEU A 40 19.275 3.499 -10.513 1.00 0.00 H new ATOM 0 HD23 LEU A 40 20.481 4.496 -11.362 1.00 0.00 H new ATOM 654 N VAL A 41 20.074 -0.901 -10.830 1.00 0.00 N ATOM 655 CA VAL A 41 20.080 -2.328 -11.102 1.00 0.00 C ATOM 656 C VAL A 41 20.113 -2.424 -12.625 1.00 0.00 C ATOM 657 O VAL A 41 19.047 -2.494 -13.236 1.00 0.00 O ATOM 658 CB VAL A 41 18.882 -3.018 -10.409 1.00 0.00 C ATOM 659 CG1 VAL A 41 18.955 -4.541 -10.597 1.00 0.00 C ATOM 660 CG2 VAL A 41 18.843 -2.716 -8.900 1.00 0.00 C ATOM 0 H VAL A 41 19.293 -0.414 -11.269 1.00 0.00 H new ATOM 0 HA VAL A 41 20.936 -2.863 -10.692 1.00 0.00 H new ATOM 0 HB VAL A 41 17.979 -2.622 -10.873 1.00 0.00 H new ATOM 0 HG11 VAL A 41 18.104 -5.010 -10.103 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.932 -4.778 -11.661 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.880 -4.917 -10.161 1.00 0.00 H new ATOM 0 HG21 VAL A 41 17.987 -3.219 -8.450 1.00 0.00 H new ATOM 0 HG22 VAL A 41 19.761 -3.074 -8.433 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.754 -1.641 -8.746 1.00 0.00 H new ATOM 670 N PRO A 42 21.293 -2.364 -13.275 1.00 0.00 N ATOM 671 CA PRO A 42 21.435 -2.265 -14.734 1.00 0.00 C ATOM 672 C PRO A 42 21.122 -3.574 -15.486 1.00 0.00 C ATOM 673 O PRO A 42 21.658 -3.852 -16.561 1.00 0.00 O ATOM 674 CB PRO A 42 22.859 -1.737 -14.958 1.00 0.00 C ATOM 675 CG PRO A 42 23.626 -2.331 -13.782 1.00 0.00 C ATOM 676 CD PRO A 42 22.605 -2.250 -12.649 1.00 0.00 C ATOM 0 HA PRO A 42 20.693 -1.589 -15.159 1.00 0.00 H new ATOM 0 HB2 PRO A 42 23.267 -2.065 -15.914 1.00 0.00 H new ATOM 0 HB3 PRO A 42 22.892 -0.648 -14.954 1.00 0.00 H new ATOM 0 HG2 PRO A 42 23.936 -3.358 -13.976 1.00 0.00 H new ATOM 0 HG3 PRO A 42 24.528 -1.763 -13.557 1.00 0.00 H new ATOM 0 HD2 PRO A 42 22.762 -3.050 -11.926 1.00 0.00 H new ATOM 0 HD3 PRO A 42 22.698 -1.308 -12.108 1.00 0.00 H new ATOM 684 N ASN A 43 20.242 -4.382 -14.899 1.00 0.00 N ATOM 685 CA ASN A 43 19.604 -5.558 -15.460 1.00 0.00 C ATOM 686 C ASN A 43 18.073 -5.481 -15.328 1.00 0.00 C ATOM 687 O ASN A 43 17.389 -6.317 -15.918 1.00 0.00 O ATOM 688 CB ASN A 43 20.179 -6.856 -14.867 1.00 0.00 C ATOM 689 CG ASN A 43 19.786 -7.078 -13.409 1.00 0.00 C ATOM 690 OD1 ASN A 43 18.650 -7.416 -13.097 1.00 0.00 O ATOM 691 ND2 ASN A 43 20.709 -6.879 -12.482 1.00 0.00 N ATOM 0 H ASN A 43 19.936 -4.212 -13.941 1.00 0.00 H new ATOM 0 HA ASN A 43 19.830 -5.579 -16.526 1.00 0.00 H new ATOM 0 HB2 ASN A 43 19.836 -7.703 -15.462 1.00 0.00 H new ATOM 0 HB3 ASN A 43 21.266 -6.832 -14.944 1.00 0.00 H new ATOM 0 HD21 ASN A 43 20.478 -7.007 -11.497 1.00 0.00 H new ATOM 0 HD22 ASN A 43 21.651 -6.598 -12.753 1.00 0.00 H new ATOM 698 N ARG A 44 17.516 -4.471 -14.629 1.00 0.00 N ATOM 699 CA ARG A 44 16.079 -4.191 -14.633 1.00 0.00 C ATOM 700 C ARG A 44 15.785 -2.731 -14.941 1.00 0.00 C ATOM 701 O ARG A 44 14.822 -2.471 -15.655 1.00 0.00 O ATOM 702 CB ARG A 44 15.431 -4.604 -13.298 1.00 0.00 C ATOM 703 CG ARG A 44 14.969 -6.070 -13.310 1.00 0.00 C ATOM 704 CD ARG A 44 14.191 -6.453 -12.044 1.00 0.00 C ATOM 705 NE ARG A 44 12.953 -5.659 -11.877 1.00 0.00 N ATOM 706 CZ ARG A 44 11.989 -5.903 -10.977 1.00 0.00 C ATOM 707 NH1 ARG A 44 12.078 -6.957 -10.169 1.00 0.00 N ATOM 708 NH2 ARG A 44 10.936 -5.096 -10.875 1.00 0.00 N ATOM 0 H ARG A 44 18.056 -3.830 -14.048 1.00 0.00 H new ATOM 0 HA ARG A 44 15.639 -4.790 -15.431 1.00 0.00 H new ATOM 0 HB2 ARG A 44 16.145 -4.456 -12.488 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.578 -3.957 -13.094 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.341 -6.242 -14.184 1.00 0.00 H new ATOM 0 HG3 ARG A 44 15.838 -6.720 -13.409 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.937 -7.512 -12.084 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.830 -6.312 -11.172 1.00 0.00 H new ATOM 0 HE ARG A 44 12.822 -4.860 -12.498 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.881 -7.582 -10.233 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.343 -7.139 -9.486 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.856 -4.282 -11.485 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.209 -5.291 -10.187 1.00 0.00 H new ATOM 722 N HIS A 45 16.577 -1.790 -14.415 1.00 0.00 N ATOM 723 CA HIS A 45 16.405 -0.332 -14.465 1.00 0.00 C ATOM 724 C HIS A 45 15.113 0.190 -13.805 1.00 0.00 C ATOM 725 O HIS A 45 15.088 1.328 -13.348 1.00 0.00 O ATOM 726 CB HIS A 45 16.553 0.199 -15.900 1.00 0.00 C ATOM 727 CG HIS A 45 17.837 -0.206 -16.584 1.00 0.00 C ATOM 728 ND1 HIS A 45 18.987 0.544 -16.664 1.00 0.00 N ATOM 729 CD2 HIS A 45 18.069 -1.369 -17.272 1.00 0.00 C ATOM 730 CE1 HIS A 45 19.890 -0.148 -17.378 1.00 0.00 C ATOM 731 NE2 HIS A 45 19.380 -1.332 -17.765 1.00 0.00 N ATOM 0 H HIS A 45 17.421 -2.047 -13.903 1.00 0.00 H new ATOM 0 HA HIS A 45 17.214 0.068 -13.854 1.00 0.00 H new ATOM 0 HB2 HIS A 45 15.711 -0.156 -16.495 1.00 0.00 H new ATOM 0 HB3 HIS A 45 16.493 1.287 -15.880 1.00 0.00 H new ATOM 0 HD1 HIS A 45 19.130 1.466 -16.252 1.00 0.00 H new ATOM 0 HD2 HIS A 45 17.363 -2.175 -17.410 1.00 0.00 H new ATOM 0 HE1 HIS A 45 20.887 0.198 -17.609 1.00 0.00 H new ATOM 739 N ASP A 46 14.077 -0.643 -13.705 1.00 0.00 N ATOM 740 CA ASP A 46 12.742 -0.368 -13.177 1.00 0.00 C ATOM 741 C ASP A 46 12.748 -0.164 -11.659 1.00 0.00 C ATOM 742 O ASP A 46 11.795 0.390 -11.108 1.00 0.00 O ATOM 743 CB ASP A 46 11.858 -1.561 -13.572 1.00 0.00 C ATOM 744 CG ASP A 46 10.529 -1.659 -12.809 1.00 0.00 C ATOM 745 OD1 ASP A 46 9.621 -0.829 -13.035 1.00 0.00 O ATOM 746 OD2 ASP A 46 10.379 -2.643 -12.048 1.00 0.00 O ATOM 0 H ASP A 46 14.158 -1.610 -14.018 1.00 0.00 H new ATOM 0 HA ASP A 46 12.359 0.563 -13.595 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.644 -1.499 -14.639 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.421 -2.481 -13.412 1.00 0.00 H new ATOM 751 N ILE A 47 13.829 -0.570 -10.986 1.00 0.00 N ATOM 752 CA ILE A 47 14.036 -0.402 -9.557 1.00 0.00 C ATOM 753 C ILE A 47 15.473 0.080 -9.320 1.00 0.00 C ATOM 754 O ILE A 47 16.352 -0.134 -10.164 1.00 0.00 O ATOM 755 CB ILE A 47 13.684 -1.692 -8.767 1.00 0.00 C ATOM 756 CG1 ILE A 47 14.818 -2.732 -8.645 1.00 0.00 C ATOM 757 CG2 ILE A 47 12.401 -2.369 -9.288 1.00 0.00 C ATOM 758 CD1 ILE A 47 15.257 -3.426 -9.931 1.00 0.00 C ATOM 0 H ILE A 47 14.609 -1.041 -11.445 1.00 0.00 H new ATOM 0 HA ILE A 47 13.354 0.357 -9.173 1.00 0.00 H new ATOM 0 HB ILE A 47 13.514 -1.320 -7.757 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.687 -2.237 -8.212 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.502 -3.498 -7.937 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.199 -3.266 -8.702 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.562 -1.679 -9.196 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.533 -2.642 -10.335 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.058 -4.131 -9.709 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.411 -3.962 -10.362 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.616 -2.682 -10.642 1.00 0.00 H new ATOM 770 N ALA A 48 15.714 0.727 -8.180 1.00 0.00 N ATOM 771 CA ALA A 48 17.008 1.288 -7.806 1.00 0.00 C ATOM 772 C ALA A 48 17.072 1.481 -6.292 1.00 0.00 C ATOM 773 O ALA A 48 16.073 1.304 -5.593 1.00 0.00 O ATOM 774 CB ALA A 48 17.195 2.646 -8.499 1.00 0.00 C ATOM 0 H ALA A 48 14.994 0.878 -7.474 1.00 0.00 H new ATOM 0 HA ALA A 48 17.798 0.604 -8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.161 3.067 -8.221 1.00 0.00 H new ATOM 0 HB2 ALA A 48 17.156 2.511 -9.580 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.401 3.325 -8.189 1.00 0.00 H new ATOM 780 N PHE A 49 18.230 1.919 -5.803 1.00 0.00 N ATOM 781 CA PHE A 49 18.436 2.338 -4.429 1.00 0.00 C ATOM 782 C PHE A 49 19.104 3.713 -4.448 1.00 0.00 C ATOM 783 O PHE A 49 19.862 4.026 -5.372 1.00 0.00 O ATOM 784 CB PHE A 49 19.311 1.324 -3.673 1.00 0.00 C ATOM 785 CG PHE A 49 18.744 -0.080 -3.540 1.00 0.00 C ATOM 786 CD1 PHE A 49 18.758 -0.963 -4.640 1.00 0.00 C ATOM 787 CD2 PHE A 49 18.228 -0.515 -2.303 1.00 0.00 C ATOM 788 CE1 PHE A 49 18.230 -2.261 -4.519 1.00 0.00 C ATOM 789 CE2 PHE A 49 17.730 -1.825 -2.172 1.00 0.00 C ATOM 790 CZ PHE A 49 17.727 -2.695 -3.279 1.00 0.00 C ATOM 0 H PHE A 49 19.073 1.992 -6.373 1.00 0.00 H new ATOM 0 HA PHE A 49 17.479 2.392 -3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 49 20.275 1.258 -4.178 1.00 0.00 H new ATOM 0 HB3 PHE A 49 19.501 1.713 -2.673 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.177 -0.640 -5.582 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.215 0.156 -1.457 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.211 -2.921 -5.374 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.349 -2.164 -1.220 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.338 -3.697 -3.176 1.00 0.00 H new ATOM 800 N VAL A 50 18.856 4.517 -3.419 1.00 0.00 N ATOM 801 CA VAL A 50 19.441 5.842 -3.227 1.00 0.00 C ATOM 802 C VAL A 50 19.855 5.925 -1.755 1.00 0.00 C ATOM 803 O VAL A 50 19.235 5.281 -0.907 1.00 0.00 O ATOM 804 CB VAL A 50 18.429 6.943 -3.630 1.00 0.00 C ATOM 805 CG1 VAL A 50 19.059 8.343 -3.574 1.00 0.00 C ATOM 806 CG2 VAL A 50 17.857 6.731 -5.042 1.00 0.00 C ATOM 0 H VAL A 50 18.218 4.255 -2.667 1.00 0.00 H new ATOM 0 HA VAL A 50 20.313 6.000 -3.861 1.00 0.00 H new ATOM 0 HB VAL A 50 17.620 6.870 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.317 9.088 -3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.402 8.547 -2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 50 19.906 8.389 -4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.153 7.531 -5.273 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.669 6.741 -5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 50 17.342 5.771 -5.086 1.00 0.00 H new ATOM 816 N GLU A 51 20.898 6.689 -1.435 1.00 0.00 N ATOM 817 CA GLU A 51 21.503 6.724 -0.115 1.00 0.00 C ATOM 818 C GLU A 51 21.905 8.158 0.225 1.00 0.00 C ATOM 819 O GLU A 51 22.280 8.942 -0.653 1.00 0.00 O ATOM 820 CB GLU A 51 22.691 5.754 -0.110 1.00 0.00 C ATOM 821 CG GLU A 51 23.431 5.728 1.233 1.00 0.00 C ATOM 822 CD GLU A 51 24.407 4.544 1.347 1.00 0.00 C ATOM 823 OE1 GLU A 51 24.054 3.414 0.941 1.00 0.00 O ATOM 824 OE2 GLU A 51 25.541 4.751 1.830 1.00 0.00 O ATOM 0 H GLU A 51 21.352 7.312 -2.103 1.00 0.00 H new ATOM 0 HA GLU A 51 20.802 6.405 0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.336 4.750 -0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.388 6.037 -0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 51 23.981 6.661 1.359 1.00 0.00 H new ATOM 0 HG3 GLU A 51 22.704 5.674 2.043 1.00 0.00 H new ATOM 831 N PHE A 52 21.811 8.481 1.514 1.00 0.00 N ATOM 832 CA PHE A 52 21.932 9.805 2.097 1.00 0.00 C ATOM 833 C PHE A 52 22.828 9.739 3.335 1.00 0.00 C ATOM 834 O PHE A 52 23.101 8.657 3.866 1.00 0.00 O ATOM 835 CB PHE A 52 20.528 10.297 2.485 1.00 0.00 C ATOM 836 CG PHE A 52 19.763 10.950 1.348 1.00 0.00 C ATOM 837 CD1 PHE A 52 19.201 10.196 0.299 1.00 0.00 C ATOM 838 CD2 PHE A 52 19.644 12.349 1.334 1.00 0.00 C ATOM 839 CE1 PHE A 52 18.570 10.853 -0.774 1.00 0.00 C ATOM 840 CE2 PHE A 52 19.019 13.004 0.265 1.00 0.00 C ATOM 841 CZ PHE A 52 18.504 12.256 -0.802 1.00 0.00 C ATOM 0 H PHE A 52 21.636 7.770 2.224 1.00 0.00 H new ATOM 0 HA PHE A 52 22.378 10.495 1.380 1.00 0.00 H new ATOM 0 HB2 PHE A 52 19.950 9.452 2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 52 20.618 11.010 3.304 1.00 0.00 H new ATOM 0 HD1 PHE A 52 19.254 9.117 0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 52 20.039 12.927 2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 52 18.136 10.277 -1.578 1.00 0.00 H new ATOM 0 HE2 PHE A 52 18.934 14.081 0.263 1.00 0.00 H new ATOM 0 HZ PHE A 52 18.056 12.758 -1.647 1.00 0.00 H new ATOM 851 N THR A 53 23.267 10.899 3.818 1.00 0.00 N ATOM 852 CA THR A 53 23.976 11.014 5.082 1.00 0.00 C ATOM 853 C THR A 53 23.058 10.666 6.255 1.00 0.00 C ATOM 854 O THR A 53 23.466 9.876 7.109 1.00 0.00 O ATOM 855 CB THR A 53 24.568 12.424 5.220 1.00 0.00 C ATOM 856 OG1 THR A 53 25.474 12.650 4.154 1.00 0.00 O ATOM 857 CG2 THR A 53 25.293 12.587 6.561 1.00 0.00 C ATOM 0 H THR A 53 23.138 11.789 3.337 1.00 0.00 H new ATOM 0 HA THR A 53 24.798 10.298 5.097 1.00 0.00 H new ATOM 0 HB THR A 53 23.757 13.152 5.184 1.00 0.00 H new ATOM 0 HG1 THR A 53 25.855 13.549 4.234 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.703 13.594 6.633 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.590 12.422 7.377 1.00 0.00 H new ATOM 0 HG23 THR A 53 26.103 11.860 6.628 1.00 0.00 H new ATOM 865 N THR A 54 21.837 11.212 6.310 1.00 0.00 N ATOM 866 CA THR A 54 20.947 10.981 7.439 1.00 0.00 C ATOM 867 C THR A 54 19.587 10.503 6.958 1.00 0.00 C ATOM 868 O THR A 54 19.148 10.768 5.837 1.00 0.00 O ATOM 869 CB THR A 54 20.807 12.223 8.339 1.00 0.00 C ATOM 870 OG1 THR A 54 20.154 13.260 7.645 1.00 0.00 O ATOM 871 CG2 THR A 54 22.129 12.767 8.884 1.00 0.00 C ATOM 0 H THR A 54 21.449 11.815 5.584 1.00 0.00 H new ATOM 0 HA THR A 54 21.398 10.198 8.050 1.00 0.00 H new ATOM 0 HB THR A 54 20.224 11.884 9.195 1.00 0.00 H new ATOM 0 HG1 THR A 54 20.660 13.481 6.835 1.00 0.00 H new ATOM 0 HG21 THR A 54 21.934 13.640 9.506 1.00 0.00 H new ATOM 0 HG22 THR A 54 22.620 11.998 9.481 1.00 0.00 H new ATOM 0 HG23 THR A 54 22.776 13.050 8.054 1.00 0.00 H new ATOM 879 N GLU A 55 18.921 9.831 7.886 1.00 0.00 N ATOM 880 CA GLU A 55 17.558 9.329 7.775 1.00 0.00 C ATOM 881 C GLU A 55 16.552 10.472 7.575 1.00 0.00 C ATOM 882 O GLU A 55 15.493 10.283 6.978 1.00 0.00 O ATOM 883 CB GLU A 55 17.188 8.524 9.037 1.00 0.00 C ATOM 884 CG GLU A 55 18.228 7.484 9.498 1.00 0.00 C ATOM 885 CD GLU A 55 19.198 8.032 10.565 1.00 0.00 C ATOM 886 OE1 GLU A 55 20.062 8.873 10.230 1.00 0.00 O ATOM 887 OE2 GLU A 55 19.107 7.615 11.742 1.00 0.00 O ATOM 0 H GLU A 55 19.341 9.609 8.788 1.00 0.00 H new ATOM 0 HA GLU A 55 17.512 8.680 6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.016 9.224 9.854 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.245 8.010 8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.709 6.613 9.900 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.801 7.144 8.635 1.00 0.00 H new ATOM 894 N LEU A 56 16.870 11.665 8.088 1.00 0.00 N ATOM 895 CA LEU A 56 16.022 12.845 7.951 1.00 0.00 C ATOM 896 C LEU A 56 16.088 13.353 6.514 1.00 0.00 C ATOM 897 O LEU A 56 15.064 13.719 5.937 1.00 0.00 O ATOM 898 CB LEU A 56 16.482 13.955 8.914 1.00 0.00 C ATOM 899 CG LEU A 56 15.907 13.846 10.340 1.00 0.00 C ATOM 900 CD1 LEU A 56 16.328 12.568 11.077 1.00 0.00 C ATOM 901 CD2 LEU A 56 16.353 15.062 11.162 1.00 0.00 C ATOM 0 H LEU A 56 17.728 11.836 8.612 1.00 0.00 H new ATOM 0 HA LEU A 56 14.996 12.572 8.199 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.570 13.939 8.973 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.200 14.921 8.495 1.00 0.00 H new ATOM 0 HG LEU A 56 14.823 13.811 10.235 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.886 12.560 12.073 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.983 11.697 10.520 1.00 0.00 H new ATOM 0 HD13 LEU A 56 17.414 12.538 11.162 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.948 14.988 12.171 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.442 15.090 11.209 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.987 15.974 10.690 1.00 0.00 H new ATOM 913 N GLN A 57 17.289 13.383 5.933 1.00 0.00 N ATOM 914 CA GLN A 57 17.495 13.930 4.601 1.00 0.00 C ATOM 915 C GLN A 57 16.913 12.980 3.550 1.00 0.00 C ATOM 916 O GLN A 57 16.228 13.452 2.641 1.00 0.00 O ATOM 917 CB GLN A 57 18.987 14.205 4.377 1.00 0.00 C ATOM 918 CG GLN A 57 19.516 15.325 5.295 1.00 0.00 C ATOM 919 CD GLN A 57 21.040 15.324 5.404 1.00 0.00 C ATOM 920 OE1 GLN A 57 21.650 14.278 5.610 1.00 0.00 O ATOM 921 NE2 GLN A 57 21.686 16.471 5.280 1.00 0.00 N ATOM 0 H GLN A 57 18.138 13.030 6.374 1.00 0.00 H new ATOM 0 HA GLN A 57 16.970 14.880 4.504 1.00 0.00 H new ATOM 0 HB2 GLN A 57 19.554 13.292 4.557 1.00 0.00 H new ATOM 0 HB3 GLN A 57 19.151 14.483 3.336 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.183 16.290 4.913 1.00 0.00 H new ATOM 0 HG3 GLN A 57 19.084 15.209 6.289 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.167 17.333 5.109 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.703 16.494 5.355 1.00 0.00 H new ATOM 930 N SER A 58 17.102 11.660 3.693 1.00 0.00 N ATOM 931 CA SER A 58 16.428 10.698 2.826 1.00 0.00 C ATOM 932 C SER A 58 14.909 10.826 2.955 1.00 0.00 C ATOM 933 O SER A 58 14.220 10.827 1.937 1.00 0.00 O ATOM 934 CB SER A 58 16.865 9.267 3.143 1.00 0.00 C ATOM 935 OG SER A 58 16.797 9.034 4.531 1.00 0.00 O ATOM 0 H SER A 58 17.712 11.242 4.396 1.00 0.00 H new ATOM 0 HA SER A 58 16.713 10.922 1.798 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.226 8.559 2.616 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.883 9.103 2.789 1.00 0.00 H new ATOM 0 HG SER A 58 16.806 8.069 4.702 1.00 0.00 H new ATOM 941 N ASN A 59 14.378 10.970 4.177 1.00 0.00 N ATOM 942 CA ASN A 59 12.942 11.146 4.382 1.00 0.00 C ATOM 943 C ASN A 59 12.422 12.365 3.627 1.00 0.00 C ATOM 944 O ASN A 59 11.449 12.258 2.887 1.00 0.00 O ATOM 945 CB ASN A 59 12.593 11.251 5.871 1.00 0.00 C ATOM 946 CG ASN A 59 11.109 11.548 6.064 1.00 0.00 C ATOM 947 OD1 ASN A 59 10.250 10.770 5.662 1.00 0.00 O ATOM 948 ND2 ASN A 59 10.773 12.671 6.677 1.00 0.00 N ATOM 0 H ASN A 59 14.926 10.967 5.037 1.00 0.00 H new ATOM 0 HA ASN A 59 12.450 10.259 3.983 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.850 10.319 6.375 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.188 12.038 6.333 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.789 12.899 6.821 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.498 13.309 7.006 1.00 0.00 H new ATOM 955 N ALA A 60 13.086 13.511 3.761 1.00 0.00 N ATOM 956 CA ALA A 60 12.675 14.724 3.064 1.00 0.00 C ATOM 957 C ALA A 60 12.708 14.534 1.545 1.00 0.00 C ATOM 958 O ALA A 60 11.764 14.919 0.856 1.00 0.00 O ATOM 959 CB ALA A 60 13.543 15.902 3.504 1.00 0.00 C ATOM 0 H ALA A 60 13.913 13.623 4.348 1.00 0.00 H new ATOM 0 HA ALA A 60 11.642 14.943 3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.228 16.803 2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.435 16.053 4.578 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.587 15.692 3.271 1.00 0.00 H new ATOM 965 N ALA A 61 13.760 13.901 1.025 1.00 0.00 N ATOM 966 CA ALA A 61 13.884 13.623 -0.399 1.00 0.00 C ATOM 967 C ALA A 61 12.793 12.660 -0.889 1.00 0.00 C ATOM 968 O ALA A 61 12.246 12.847 -1.976 1.00 0.00 O ATOM 969 CB ALA A 61 15.271 13.053 -0.690 1.00 0.00 C ATOM 0 H ALA A 61 14.547 13.568 1.582 1.00 0.00 H new ATOM 0 HA ALA A 61 13.754 14.560 -0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.363 12.845 -1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.031 13.776 -0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.410 12.130 -0.127 1.00 0.00 H new ATOM 975 N LYS A 62 12.451 11.646 -0.087 1.00 0.00 N ATOM 976 CA LYS A 62 11.348 10.732 -0.360 1.00 0.00 C ATOM 977 C LYS A 62 10.057 11.533 -0.485 1.00 0.00 C ATOM 978 O LYS A 62 9.382 11.419 -1.504 1.00 0.00 O ATOM 979 CB LYS A 62 11.296 9.645 0.734 1.00 0.00 C ATOM 980 CG LYS A 62 9.981 8.851 0.774 1.00 0.00 C ATOM 981 CD LYS A 62 10.008 7.803 1.896 1.00 0.00 C ATOM 982 CE LYS A 62 8.606 7.242 2.173 1.00 0.00 C ATOM 983 NZ LYS A 62 7.763 8.171 2.973 1.00 0.00 N ATOM 0 H LYS A 62 12.943 11.438 0.782 1.00 0.00 H new ATOM 0 HA LYS A 62 11.492 10.211 -1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.122 8.950 0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.453 10.115 1.705 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.144 9.533 0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.819 8.359 -0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.679 6.990 1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.408 8.252 2.805 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.110 7.032 1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.697 6.293 2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.786 7.816 3.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.138 8.233 3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.775 9.115 2.536 1.00 0.00 H new ATOM 997 N GLU A 63 9.724 12.370 0.498 1.00 0.00 N ATOM 998 CA GLU A 63 8.483 13.140 0.448 1.00 0.00 C ATOM 999 C GLU A 63 8.472 14.079 -0.766 1.00 0.00 C ATOM 1000 O GLU A 63 7.420 14.301 -1.368 1.00 0.00 O ATOM 1001 CB GLU A 63 8.273 13.933 1.749 1.00 0.00 C ATOM 1002 CG GLU A 63 8.118 13.069 3.010 1.00 0.00 C ATOM 1003 CD GLU A 63 6.995 12.024 2.891 1.00 0.00 C ATOM 1004 OE1 GLU A 63 5.813 12.372 3.127 1.00 0.00 O ATOM 1005 OE2 GLU A 63 7.289 10.848 2.577 1.00 0.00 O ATOM 0 H GLU A 63 10.291 12.531 1.331 1.00 0.00 H new ATOM 0 HA GLU A 63 7.657 12.437 0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.119 14.607 1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.385 14.555 1.640 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.060 12.560 3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.915 13.716 3.864 1.00 0.00 H new ATOM 1012 N ALA A 64 9.639 14.608 -1.143 1.00 0.00 N ATOM 1013 CA ALA A 64 9.791 15.528 -2.258 1.00 0.00 C ATOM 1014 C ALA A 64 9.587 14.853 -3.621 1.00 0.00 C ATOM 1015 O ALA A 64 8.994 15.475 -4.505 1.00 0.00 O ATOM 1016 CB ALA A 64 11.184 16.157 -2.197 1.00 0.00 C ATOM 0 H ALA A 64 10.518 14.401 -0.668 1.00 0.00 H new ATOM 0 HA ALA A 64 9.016 16.289 -2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.308 16.849 -3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.299 16.697 -1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.940 15.374 -2.261 1.00 0.00 H new ATOM 1022 N LEU A 65 10.065 13.614 -3.813 1.00 0.00 N ATOM 1023 CA LEU A 65 10.113 12.975 -5.135 1.00 0.00 C ATOM 1024 C LEU A 65 9.204 11.751 -5.268 1.00 0.00 C ATOM 1025 O LEU A 65 9.142 11.175 -6.356 1.00 0.00 O ATOM 1026 CB LEU A 65 11.565 12.632 -5.533 1.00 0.00 C ATOM 1027 CG LEU A 65 12.490 13.836 -5.789 1.00 0.00 C ATOM 1028 CD1 LEU A 65 13.867 13.333 -6.238 1.00 0.00 C ATOM 1029 CD2 LEU A 65 11.960 14.797 -6.863 1.00 0.00 C ATOM 0 H LEU A 65 10.427 13.030 -3.059 1.00 0.00 H new ATOM 0 HA LEU A 65 9.718 13.713 -5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.004 12.022 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.540 12.019 -6.434 1.00 0.00 H new ATOM 0 HG LEU A 65 12.544 14.387 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.524 14.184 -6.420 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.296 12.703 -5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.761 12.754 -7.155 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.661 15.621 -6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.851 14.263 -7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.991 15.190 -6.554 1.00 0.00 H new ATOM 1041 N GLN A 66 8.472 11.343 -4.227 1.00 0.00 N ATOM 1042 CA GLN A 66 7.459 10.305 -4.400 1.00 0.00 C ATOM 1043 C GLN A 66 6.463 10.756 -5.477 1.00 0.00 C ATOM 1044 O GLN A 66 5.914 11.859 -5.414 1.00 0.00 O ATOM 1045 CB GLN A 66 6.720 9.984 -3.089 1.00 0.00 C ATOM 1046 CG GLN A 66 7.382 8.850 -2.291 1.00 0.00 C ATOM 1047 CD GLN A 66 6.519 8.393 -1.110 1.00 0.00 C ATOM 1048 OE1 GLN A 66 5.800 9.173 -0.488 1.00 0.00 O ATOM 1049 NE2 GLN A 66 6.542 7.112 -0.779 1.00 0.00 N ATOM 0 H GLN A 66 8.560 11.707 -3.278 1.00 0.00 H new ATOM 0 HA GLN A 66 7.961 9.388 -4.709 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.681 10.881 -2.471 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.690 9.708 -3.317 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.568 8.003 -2.952 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.351 9.185 -1.922 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.137 6.463 -1.293 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.964 6.774 -0.010 1.00 0.00 H new ATOM 1058 N GLY A 67 6.234 9.885 -6.459 1.00 0.00 N ATOM 1059 CA GLY A 67 5.326 10.105 -7.576 1.00 0.00 C ATOM 1060 C GLY A 67 5.929 10.957 -8.700 1.00 0.00 C ATOM 1061 O GLY A 67 5.207 11.311 -9.632 1.00 0.00 O ATOM 0 H GLY A 67 6.694 8.975 -6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.026 9.140 -7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.422 10.591 -7.208 1.00 0.00 H new ATOM 1065 N PHE A 68 7.217 11.313 -8.633 1.00 0.00 N ATOM 1066 CA PHE A 68 7.854 12.188 -9.610 1.00 0.00 C ATOM 1067 C PHE A 68 7.992 11.447 -10.938 1.00 0.00 C ATOM 1068 O PHE A 68 8.616 10.387 -10.988 1.00 0.00 O ATOM 1069 CB PHE A 68 9.225 12.640 -9.087 1.00 0.00 C ATOM 1070 CG PHE A 68 9.981 13.563 -10.022 1.00 0.00 C ATOM 1071 CD1 PHE A 68 9.755 14.952 -9.977 1.00 0.00 C ATOM 1072 CD2 PHE A 68 10.912 13.035 -10.937 1.00 0.00 C ATOM 1073 CE1 PHE A 68 10.461 15.810 -10.841 1.00 0.00 C ATOM 1074 CE2 PHE A 68 11.612 13.894 -11.803 1.00 0.00 C ATOM 1075 CZ PHE A 68 11.389 15.281 -11.754 1.00 0.00 C ATOM 0 H PHE A 68 7.845 10.998 -7.894 1.00 0.00 H new ATOM 0 HA PHE A 68 7.241 13.075 -9.768 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.087 13.145 -8.131 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.836 11.758 -8.895 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.039 15.360 -9.279 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.089 11.970 -10.974 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.289 16.876 -10.802 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.323 13.487 -12.507 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.930 15.939 -12.417 1.00 0.00 H new ATOM 1085 N LYS A 69 7.433 11.991 -12.021 1.00 0.00 N ATOM 1086 CA LYS A 69 7.649 11.452 -13.365 1.00 0.00 C ATOM 1087 C LYS A 69 9.123 11.608 -13.717 1.00 0.00 C ATOM 1088 O LYS A 69 9.574 12.720 -13.995 1.00 0.00 O ATOM 1089 CB LYS A 69 6.779 12.159 -14.426 1.00 0.00 C ATOM 1090 CG LYS A 69 5.542 11.349 -14.828 1.00 0.00 C ATOM 1091 CD LYS A 69 4.497 11.192 -13.717 1.00 0.00 C ATOM 1092 CE LYS A 69 3.459 10.125 -14.094 1.00 0.00 C ATOM 1093 NZ LYS A 69 2.538 10.549 -15.180 1.00 0.00 N ATOM 0 H LYS A 69 6.824 12.809 -11.992 1.00 0.00 H new ATOM 0 HA LYS A 69 7.359 10.401 -13.364 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.462 13.128 -14.040 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.383 12.352 -15.312 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.072 11.829 -15.686 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.861 10.358 -15.152 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.989 10.914 -12.785 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.999 12.146 -13.543 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.978 9.218 -14.403 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.873 9.872 -13.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.696 9.938 -15.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.249 11.536 -15.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.023 10.470 -16.097 1.00 0.00 H new ATOM 1107 N ILE A 70 9.865 10.501 -13.718 1.00 0.00 N ATOM 1108 CA ILE A 70 11.221 10.499 -14.261 1.00 0.00 C ATOM 1109 C ILE A 70 11.041 10.657 -15.780 1.00 0.00 C ATOM 1110 O ILE A 70 11.708 11.485 -16.403 1.00 0.00 O ATOM 1111 CB ILE A 70 11.970 9.221 -13.855 1.00 0.00 C ATOM 1112 CG1 ILE A 70 12.089 9.118 -12.322 1.00 0.00 C ATOM 1113 CG2 ILE A 70 13.374 9.234 -14.472 1.00 0.00 C ATOM 1114 CD1 ILE A 70 12.555 7.740 -11.848 1.00 0.00 C ATOM 0 H ILE A 70 9.553 9.602 -13.352 1.00 0.00 H new ATOM 0 HA ILE A 70 11.840 11.307 -13.871 1.00 0.00 H new ATOM 0 HB ILE A 70 11.409 8.361 -14.220 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.789 9.874 -11.966 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.122 9.342 -11.872 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.906 8.327 -14.184 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.294 9.279 -15.558 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.921 10.105 -14.113 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.619 7.732 -10.760 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.843 6.983 -12.175 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.536 7.522 -12.271 1.00 0.00 H new ATOM 1126 N THR A 71 10.079 9.925 -16.354 1.00 0.00 N ATOM 1127 CA THR A 71 9.585 10.092 -17.714 1.00 0.00 C ATOM 1128 C THR A 71 8.054 10.057 -17.628 1.00 0.00 C ATOM 1129 O THR A 71 7.544 9.588 -16.607 1.00 0.00 O ATOM 1130 CB THR A 71 10.159 9.013 -18.648 1.00 0.00 C ATOM 1131 OG1 THR A 71 9.938 7.721 -18.122 1.00 0.00 O ATOM 1132 CG2 THR A 71 11.662 9.187 -18.884 1.00 0.00 C ATOM 0 H THR A 71 9.607 9.169 -15.857 1.00 0.00 H new ATOM 0 HA THR A 71 9.908 11.039 -18.146 1.00 0.00 H new ATOM 0 HB THR A 71 9.639 9.128 -19.599 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.310 7.051 -18.733 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.019 8.401 -19.549 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.849 10.160 -19.338 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.189 9.124 -17.932 1.00 0.00 H new ATOM 1140 N PRO A 72 7.308 10.548 -18.640 1.00 0.00 N ATOM 1141 CA PRO A 72 5.859 10.767 -18.578 1.00 0.00 C ATOM 1142 C PRO A 72 4.990 9.634 -18.022 1.00 0.00 C ATOM 1143 O PRO A 72 3.886 9.912 -17.552 1.00 0.00 O ATOM 1144 CB PRO A 72 5.438 11.126 -20.004 1.00 0.00 C ATOM 1145 CG PRO A 72 6.666 11.852 -20.542 1.00 0.00 C ATOM 1146 CD PRO A 72 7.819 11.083 -19.900 1.00 0.00 C ATOM 0 HA PRO A 72 5.684 11.553 -17.843 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.202 10.239 -20.592 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.553 11.762 -20.017 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.712 11.817 -21.630 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.672 12.904 -20.256 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.161 10.280 -20.553 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.673 11.738 -19.726 1.00 0.00 H new ATOM 1154 N THR A 73 5.457 8.386 -18.035 1.00 0.00 N ATOM 1155 CA THR A 73 4.692 7.206 -17.645 1.00 0.00 C ATOM 1156 C THR A 73 5.386 6.411 -16.527 1.00 0.00 C ATOM 1157 O THR A 73 4.956 5.302 -16.202 1.00 0.00 O ATOM 1158 CB THR A 73 4.423 6.369 -18.914 1.00 0.00 C ATOM 1159 OG1 THR A 73 5.610 6.247 -19.683 1.00 0.00 O ATOM 1160 CG2 THR A 73 3.354 7.027 -19.796 1.00 0.00 C ATOM 0 H THR A 73 6.409 8.163 -18.327 1.00 0.00 H new ATOM 0 HA THR A 73 3.737 7.505 -17.213 1.00 0.00 H new ATOM 0 HB THR A 73 4.076 5.389 -18.588 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.427 5.713 -20.484 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.186 6.415 -20.682 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.424 7.116 -19.235 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.692 8.018 -20.099 1.00 0.00 H new ATOM 1168 N HIS A 74 6.426 6.975 -15.902 1.00 0.00 N ATOM 1169 CA HIS A 74 7.225 6.317 -14.875 1.00 0.00 C ATOM 1170 C HIS A 74 7.331 7.254 -13.676 1.00 0.00 C ATOM 1171 O HIS A 74 8.338 7.937 -13.468 1.00 0.00 O ATOM 1172 CB HIS A 74 8.577 5.869 -15.440 1.00 0.00 C ATOM 1173 CG HIS A 74 8.453 4.770 -16.470 1.00 0.00 C ATOM 1174 ND1 HIS A 74 8.585 3.417 -16.242 1.00 0.00 N ATOM 1175 CD2 HIS A 74 8.186 4.927 -17.804 1.00 0.00 C ATOM 1176 CE1 HIS A 74 8.409 2.778 -17.410 1.00 0.00 C ATOM 1177 NE2 HIS A 74 8.161 3.657 -18.399 1.00 0.00 N ATOM 0 H HIS A 74 6.739 7.924 -16.105 1.00 0.00 H new ATOM 0 HA HIS A 74 6.746 5.399 -14.534 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.078 6.726 -15.890 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.209 5.523 -14.622 1.00 0.00 H new ATOM 0 HD1 HIS A 74 8.782 2.978 -15.343 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.023 5.867 -18.311 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.459 1.707 -17.538 1.00 0.00 H new ATOM 1185 N ALA A 75 6.227 7.324 -12.928 1.00 0.00 N ATOM 1186 CA ALA A 75 6.165 7.979 -11.631 1.00 0.00 C ATOM 1187 C ALA A 75 7.008 7.171 -10.643 1.00 0.00 C ATOM 1188 O ALA A 75 6.623 6.064 -10.257 1.00 0.00 O ATOM 1189 CB ALA A 75 4.709 8.066 -11.155 1.00 0.00 C ATOM 0 H ALA A 75 5.338 6.917 -13.218 1.00 0.00 H new ATOM 0 HA ALA A 75 6.556 8.994 -11.702 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.673 8.558 -10.183 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.125 8.640 -11.874 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.294 7.062 -11.069 1.00 0.00 H new ATOM 1195 N MET A 76 8.149 7.727 -10.251 1.00 0.00 N ATOM 1196 CA MET A 76 9.059 7.202 -9.249 1.00 0.00 C ATOM 1197 C MET A 76 8.333 6.845 -7.955 1.00 0.00 C ATOM 1198 O MET A 76 7.843 7.733 -7.253 1.00 0.00 O ATOM 1199 CB MET A 76 10.100 8.293 -8.968 1.00 0.00 C ATOM 1200 CG MET A 76 11.210 7.858 -8.011 1.00 0.00 C ATOM 1201 SD MET A 76 12.203 9.238 -7.387 1.00 0.00 S ATOM 1202 CE MET A 76 12.862 9.979 -8.904 1.00 0.00 C ATOM 0 H MET A 76 8.479 8.606 -10.649 1.00 0.00 H new ATOM 0 HA MET A 76 9.521 6.287 -9.621 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.548 8.605 -9.911 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.595 9.165 -8.551 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.766 7.329 -7.168 1.00 0.00 H new ATOM 0 HG3 MET A 76 11.864 7.151 -8.522 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.413 10.886 -8.656 1.00 0.00 H new ATOM 0 HE2 MET A 76 13.530 9.271 -9.394 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.040 10.227 -9.575 1.00 0.00 H new ATOM 1212 N LYS A 77 8.268 5.561 -7.615 1.00 0.00 N ATOM 1213 CA LYS A 77 7.824 5.151 -6.290 1.00 0.00 C ATOM 1214 C LYS A 77 9.088 5.101 -5.436 1.00 0.00 C ATOM 1215 O LYS A 77 10.154 4.735 -5.936 1.00 0.00 O ATOM 1216 CB LYS A 77 7.154 3.776 -6.339 1.00 0.00 C ATOM 1217 CG LYS A 77 5.709 3.810 -6.859 1.00 0.00 C ATOM 1218 CD LYS A 77 4.969 2.498 -6.550 1.00 0.00 C ATOM 1219 CE LYS A 77 5.556 1.296 -7.305 1.00 0.00 C ATOM 1220 NZ LYS A 77 5.099 0.000 -6.746 1.00 0.00 N ATOM 0 H LYS A 77 8.516 4.791 -8.236 1.00 0.00 H new ATOM 0 HA LYS A 77 7.085 5.842 -5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.744 3.117 -6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.160 3.343 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.177 4.645 -6.404 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.712 3.983 -7.935 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.012 2.305 -5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.917 2.608 -6.812 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.272 1.356 -8.356 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.644 1.342 -7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.335 -0.766 -7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.571 -0.171 -5.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.069 0.028 -6.602 1.00 0.00 H new ATOM 1234 N ILE A 78 8.968 5.441 -4.155 1.00 0.00 N ATOM 1235 CA ILE A 78 10.069 5.478 -3.199 1.00 0.00 C ATOM 1236 C ILE A 78 9.543 4.833 -1.919 1.00 0.00 C ATOM 1237 O ILE A 78 8.390 5.065 -1.544 1.00 0.00 O ATOM 1238 CB ILE A 78 10.528 6.933 -2.919 1.00 0.00 C ATOM 1239 CG1 ILE A 78 10.691 7.795 -4.193 1.00 0.00 C ATOM 1240 CG2 ILE A 78 11.824 6.952 -2.085 1.00 0.00 C ATOM 1241 CD1 ILE A 78 11.086 9.246 -3.907 1.00 0.00 C ATOM 0 H ILE A 78 8.074 5.706 -3.742 1.00 0.00 H new ATOM 0 HA ILE A 78 10.937 4.948 -3.592 1.00 0.00 H new ATOM 0 HB ILE A 78 9.722 7.390 -2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.447 7.341 -4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.754 7.786 -4.750 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.124 7.984 -1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.651 6.451 -1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.614 6.435 -2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.182 9.789 -4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.319 9.717 -3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.039 9.266 -3.378 1.00 0.00 H new ATOM 1253 N THR A 79 10.403 4.094 -1.233 1.00 0.00 N ATOM 1254 CA THR A 79 10.166 3.464 0.057 1.00 0.00 C ATOM 1255 C THR A 79 11.497 3.447 0.819 1.00 0.00 C ATOM 1256 O THR A 79 12.549 3.708 0.229 1.00 0.00 O ATOM 1257 CB THR A 79 9.591 2.043 -0.145 1.00 0.00 C ATOM 1258 OG1 THR A 79 9.752 1.543 -1.467 1.00 0.00 O ATOM 1259 CG2 THR A 79 8.093 2.040 0.164 1.00 0.00 C ATOM 0 H THR A 79 11.342 3.907 -1.584 1.00 0.00 H new ATOM 0 HA THR A 79 9.430 4.019 0.638 1.00 0.00 H new ATOM 0 HB THR A 79 10.153 1.400 0.533 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.144 0.646 -1.432 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.694 1.036 0.020 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.934 2.349 1.197 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.582 2.733 -0.505 1.00 0.00 H new ATOM 1267 N PHE A 80 11.482 3.161 2.123 1.00 0.00 N ATOM 1268 CA PHE A 80 12.722 3.062 2.882 1.00 0.00 C ATOM 1269 C PHE A 80 13.332 1.686 2.641 1.00 0.00 C ATOM 1270 O PHE A 80 12.649 0.665 2.765 1.00 0.00 O ATOM 1271 CB PHE A 80 12.472 3.313 4.373 1.00 0.00 C ATOM 1272 CG PHE A 80 12.216 4.775 4.692 1.00 0.00 C ATOM 1273 CD1 PHE A 80 13.269 5.707 4.603 1.00 0.00 C ATOM 1274 CD2 PHE A 80 10.927 5.213 5.048 1.00 0.00 C ATOM 1275 CE1 PHE A 80 13.032 7.072 4.843 1.00 0.00 C ATOM 1276 CE2 PHE A 80 10.695 6.574 5.312 1.00 0.00 C ATOM 1277 CZ PHE A 80 11.742 7.504 5.197 1.00 0.00 C ATOM 0 H PHE A 80 10.634 2.996 2.666 1.00 0.00 H new ATOM 0 HA PHE A 80 13.422 3.827 2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 80 11.617 2.721 4.697 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.334 2.967 4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 80 14.264 5.371 4.349 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.116 4.503 5.118 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.838 7.786 4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.710 6.906 5.604 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.555 8.552 5.381 1.00 0.00 H new ATOM 1287 N ALA A 81 14.619 1.673 2.282 1.00 0.00 N ATOM 1288 CA ALA A 81 15.404 0.448 2.239 1.00 0.00 C ATOM 1289 C ALA A 81 15.834 0.127 3.679 1.00 0.00 C ATOM 1290 O ALA A 81 15.484 0.850 4.617 1.00 0.00 O ATOM 1291 CB ALA A 81 16.609 0.617 1.304 1.00 0.00 C ATOM 0 H ALA A 81 15.139 2.509 2.015 1.00 0.00 H new ATOM 0 HA ALA A 81 14.818 -0.380 1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.186 -0.308 1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.259 0.850 0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.239 1.429 1.666 1.00 0.00 H new ATOM 1297 N LYS A 82 16.624 -0.930 3.867 1.00 0.00 N ATOM 1298 CA LYS A 82 16.963 -1.476 5.185 1.00 0.00 C ATOM 1299 C LYS A 82 18.479 -1.632 5.307 1.00 0.00 C ATOM 1300 O LYS A 82 19.204 -1.487 4.317 1.00 0.00 O ATOM 1301 CB LYS A 82 16.202 -2.804 5.378 1.00 0.00 C ATOM 1302 CG LYS A 82 14.687 -2.556 5.525 1.00 0.00 C ATOM 1303 CD LYS A 82 13.826 -3.828 5.497 1.00 0.00 C ATOM 1304 CE LYS A 82 13.896 -4.651 4.195 1.00 0.00 C ATOM 1305 NZ LYS A 82 13.551 -3.875 2.974 1.00 0.00 N ATOM 0 H LYS A 82 17.054 -1.441 3.096 1.00 0.00 H new ATOM 0 HA LYS A 82 16.656 -0.798 5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.386 -3.460 4.527 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.578 -3.317 6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.507 -2.032 6.464 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.361 -1.894 4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.127 -4.468 6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.788 -3.546 5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.903 -5.055 4.085 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.219 -5.501 4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.272 -4.529 2.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.762 -3.231 3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.377 -3.322 2.669 1.00 0.00 H new ATOM 1319 N LYS A 83 18.959 -1.906 6.521 1.00 0.00 N ATOM 1320 CA LYS A 83 20.369 -2.058 6.867 1.00 0.00 C ATOM 1321 C LYS A 83 20.466 -3.288 7.756 1.00 0.00 C ATOM 1322 O LYS A 83 19.595 -3.461 8.636 1.00 0.00 O ATOM 1323 CB LYS A 83 20.902 -0.817 7.609 1.00 0.00 C ATOM 1324 CG LYS A 83 21.021 0.433 6.718 1.00 0.00 C ATOM 1325 CD LYS A 83 21.474 1.684 7.488 1.00 0.00 C ATOM 1326 CE LYS A 83 22.911 1.566 8.026 1.00 0.00 C ATOM 1327 NZ LYS A 83 23.317 2.749 8.828 1.00 0.00 N ATOM 1328 OXT LYS A 83 21.397 -4.095 7.561 1.00 0.00 O ATOM 0 H LYS A 83 18.345 -2.033 7.325 1.00 0.00 H new ATOM 0 HA LYS A 83 20.973 -2.167 5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 83 20.241 -0.594 8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 83 21.881 -1.048 8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 83 21.730 0.232 5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 83 20.057 0.631 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 83 21.407 2.552 6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 83 20.793 1.859 8.321 1.00 0.00 H new ATOM 0 HE2 LYS A 83 22.993 0.669 8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 83 23.600 1.444 7.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 24.292 2.621 9.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 23.266 3.603 8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 22.678 2.852 9.642 1.00 0.00 H new TER 1342 LYS A 83