USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 901 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 66 LYS NZ :NH3+ -140:sc= -2.86 (180deg=-6.4!) USER MOD Set 1.2: A 75 ASN :FLIP amide:sc= -1.89! C(o=-13!,f=-4.8!) USER MOD Set 2.1: A 28 HIS : no HE2:sc= -1.87 X(o=-2.9,f=-3!) USER MOD Set 2.2: A 49 LYS NZ :NH3+ 150:sc= -0.999! (180deg=-1.93!) USER MOD Set 3.1: A 7 HIS :FLIP no HD1:sc= -2.52 F(o=-15,f=-12) USER MOD Set 3.2: A 102 GLN :FLIP amide:sc= -7.07! C(o=-12!,f=-12!) USER MOD Set 3.3: A 105 GLN : amide:sc= -1.95 K(o=-12,f=-13) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0555) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -121:sc= -3.15! (180deg=-5.82!) USER MOD Single : A 24 SER OG : rot -10:sc= -0.171 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN :FLIP amide:sc= -4.34! C(o=-11!,f=-4.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0.244 USER MOD Single : A 39 SER OG : rot -51:sc= 0.617 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.076) USER MOD Single : A 55 GLN :FLIP amide:sc= -6.04! C(o=-6.7!,f=-6!) USER MOD Single : A 56 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.068) USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= -3.73! (180deg=-3.92!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 149:sc= 0.0626 (180deg=-1.61!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.399 K(o=-0.4,f=-4.5!) USER MOD Single : A 86 SER OG : rot 180:sc= 0.0896! USER MOD Single : A 87 THR OG1 : rot -30:sc= 1.1 USER MOD Single : A 88 SER OG : rot -150:sc= -3.07! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -4.09! C(o=-4.1!,f=-3.7!) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 94 GLN : amide:sc= -3.28! C(o=-3.3!,f=-4.3!) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.0949 F(o=-1,f=-0.095) USER MOD Single : A 108 THR OG1 : rot 98:sc= 0.359 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.770 4.655 9.763 1.00 0.00 N ATOM 2 CA GLY A 1 26.532 5.183 9.204 1.00 0.00 C ATOM 3 C GLY A 1 25.300 4.666 9.949 1.00 0.00 C ATOM 4 O GLY A 1 24.959 3.490 9.898 1.00 0.00 O ATOM 0 H1 GLY A 1 28.580 5.030 9.229 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.850 4.940 10.760 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.765 3.617 9.700 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.551 6.272 9.246 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.462 4.906 8.152 1.00 0.00 H new ATOM 10 N ILE A 2 24.660 5.628 10.638 1.00 0.00 N ATOM 11 CA ILE A 2 23.475 5.258 11.386 1.00 0.00 C ATOM 12 C ILE A 2 22.236 5.874 10.732 1.00 0.00 C ATOM 13 O ILE A 2 22.112 7.084 10.592 1.00 0.00 O ATOM 14 CB ILE A 2 23.606 5.737 12.833 1.00 0.00 C ATOM 15 CG1 ILE A 2 22.389 5.314 13.657 1.00 0.00 C ATOM 16 CG2 ILE A 2 23.795 7.253 12.887 1.00 0.00 C ATOM 17 CD1 ILE A 2 22.251 3.793 13.730 1.00 0.00 C ATOM 0 H ILE A 2 24.933 6.610 10.686 1.00 0.00 H new ATOM 0 HA ILE A 2 23.370 4.173 11.383 1.00 0.00 H new ATOM 0 HB ILE A 2 24.489 5.268 13.266 1.00 0.00 H new ATOM 0 HG12 ILE A 2 22.474 5.720 14.665 1.00 0.00 H new ATOM 0 HG13 ILE A 2 21.487 5.740 13.217 1.00 0.00 H new ATOM 0 HG21 ILE A 2 23.886 7.572 13.925 1.00 0.00 H new ATOM 0 HG22 ILE A 2 24.699 7.527 12.343 1.00 0.00 H new ATOM 0 HG23 ILE A 2 22.935 7.743 12.431 1.00 0.00 H new ATOM 0 HD11 ILE A 2 21.374 3.535 14.324 1.00 0.00 H new ATOM 0 HD12 ILE A 2 22.139 3.389 12.724 1.00 0.00 H new ATOM 0 HD13 ILE A 2 23.141 3.369 14.194 1.00 0.00 H new ATOM 29 N GLU A 3 21.335 4.953 10.345 1.00 0.00 N ATOM 30 CA GLU A 3 20.107 5.413 9.727 1.00 0.00 C ATOM 31 C GLU A 3 18.986 5.439 10.768 1.00 0.00 C ATOM 32 O GLU A 3 18.690 4.450 11.426 1.00 0.00 O ATOM 33 CB GLU A 3 19.734 4.493 8.564 1.00 0.00 C ATOM 34 CG GLU A 3 18.408 4.903 7.922 1.00 0.00 C ATOM 35 CD GLU A 3 18.062 3.943 6.782 1.00 0.00 C ATOM 36 OE1 GLU A 3 17.775 2.780 7.061 1.00 0.00 O ATOM 37 OE2 GLU A 3 18.079 4.371 5.629 1.00 0.00 O ATOM 0 H GLU A 3 21.435 3.943 10.446 1.00 0.00 H new ATOM 0 HA GLU A 3 20.252 6.422 9.340 1.00 0.00 H new ATOM 0 HB2 GLU A 3 20.524 4.516 7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.663 3.466 8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 3 17.614 4.895 8.669 1.00 0.00 H new ATOM 0 HG3 GLU A 3 18.478 5.922 7.542 1.00 0.00 H new ATOM 44 N MET A 4 18.391 6.642 10.868 1.00 0.00 N ATOM 45 CA MET A 4 17.327 6.803 11.839 1.00 0.00 C ATOM 46 C MET A 4 15.971 6.809 11.129 1.00 0.00 C ATOM 47 O MET A 4 15.726 7.591 10.218 1.00 0.00 O ATOM 48 CB MET A 4 17.523 8.110 12.606 1.00 0.00 C ATOM 49 CG MET A 4 16.441 8.318 13.666 1.00 0.00 C ATOM 50 SD MET A 4 16.677 9.867 14.551 1.00 0.00 S ATOM 51 CE MET A 4 15.688 10.922 13.479 1.00 0.00 C ATOM 0 H MET A 4 18.621 7.468 10.315 1.00 0.00 H new ATOM 0 HA MET A 4 17.353 5.970 12.542 1.00 0.00 H new ATOM 0 HB2 MET A 4 18.503 8.107 13.083 1.00 0.00 H new ATOM 0 HB3 MET A 4 17.512 8.946 11.907 1.00 0.00 H new ATOM 0 HG2 MET A 4 15.460 8.314 13.192 1.00 0.00 H new ATOM 0 HG3 MET A 4 16.457 7.488 14.372 1.00 0.00 H new ATOM 0 HE1 MET A 4 15.704 11.944 13.859 1.00 0.00 H new ATOM 0 HE2 MET A 4 16.100 10.904 12.470 1.00 0.00 H new ATOM 0 HE3 MET A 4 14.661 10.558 13.458 1.00 0.00 H new ATOM 61 N LYS A 5 15.130 5.877 11.625 1.00 0.00 N ATOM 62 CA LYS A 5 13.772 5.702 11.133 1.00 0.00 C ATOM 63 C LYS A 5 13.677 4.375 10.366 1.00 0.00 C ATOM 64 O LYS A 5 14.527 4.054 9.544 1.00 0.00 O ATOM 65 CB LYS A 5 13.338 6.854 10.225 1.00 0.00 C ATOM 66 CG LYS A 5 11.856 6.771 9.866 1.00 0.00 C ATOM 67 CD LYS A 5 11.445 7.884 8.902 1.00 0.00 C ATOM 68 CE LYS A 5 12.123 7.736 7.540 1.00 0.00 C ATOM 69 NZ LYS A 5 11.733 8.788 6.608 1.00 0.00 N ATOM 0 H LYS A 5 15.384 5.233 12.374 1.00 0.00 H new ATOM 0 HA LYS A 5 13.102 5.691 11.993 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.538 7.803 10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 5 13.934 6.841 9.312 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.645 5.802 9.414 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.257 6.837 10.774 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.363 7.871 8.772 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.703 8.851 9.333 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.205 7.754 7.672 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.870 6.765 7.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.218 8.644 5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.704 8.756 6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.998 9.714 6.999 1.00 0.00 H new ATOM 83 N PRO A 6 12.601 3.613 10.675 1.00 0.00 N ATOM 84 CA PRO A 6 12.363 2.319 10.051 1.00 0.00 C ATOM 85 C PRO A 6 11.880 2.518 8.602 1.00 0.00 C ATOM 86 O PRO A 6 12.577 3.097 7.777 1.00 0.00 O ATOM 87 CB PRO A 6 11.301 1.682 10.958 1.00 0.00 C ATOM 88 CG PRO A 6 10.546 2.867 11.564 1.00 0.00 C ATOM 89 CD PRO A 6 11.590 3.983 11.658 1.00 0.00 C ATOM 0 HA PRO A 6 13.247 1.686 9.968 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.632 1.035 10.391 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.759 1.067 11.732 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.705 3.163 10.938 1.00 0.00 H new ATOM 0 HG3 PRO A 6 10.141 2.619 12.545 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.154 4.956 11.433 1.00 0.00 H new ATOM 0 HD3 PRO A 6 12.014 4.048 12.660 1.00 0.00 H new ATOM 97 N HIS A 7 10.657 2.017 8.344 1.00 0.00 N ATOM 98 CA HIS A 7 10.104 2.180 7.014 1.00 0.00 C ATOM 99 C HIS A 7 8.608 2.484 7.111 1.00 0.00 C ATOM 100 O HIS A 7 7.756 1.610 7.012 1.00 0.00 O ATOM 101 CB HIS A 7 10.340 0.932 6.168 1.00 0.00 C ATOM 102 CG HIS A 7 9.669 -0.271 6.791 1.00 0.00 C ATOM 103 ND1 HIS A 7 9.759 -0.727 8.118 1.00 0.00 N flip ATOM 104 CD2 HIS A 7 8.856 -1.110 6.111 1.00 0.00 C flip ATOM 105 CE1 HIS A 7 8.995 -1.837 8.217 1.00 0.00 C flip ATOM 106 NE2 HIS A 7 8.465 -2.043 6.998 1.00 0.00 N flip ATOM 0 H HIS A 7 10.067 1.521 9.012 1.00 0.00 H new ATOM 0 HA HIS A 7 10.608 3.015 6.527 1.00 0.00 H new ATOM 0 HB2 HIS A 7 9.952 1.090 5.162 1.00 0.00 H new ATOM 0 HB3 HIS A 7 11.410 0.749 6.072 1.00 0.00 H new ATOM 0 HD2 HIS A 7 8.578 -1.045 5.070 1.00 0.00 H new ATOM 0 HE1 HIS A 7 8.840 -2.439 9.100 1.00 0.00 H new ATOM 0 HE2 HIS A 7 7.840 -2.816 6.772 1.00 0.00 H new ATOM 114 N PRO A 8 8.346 3.794 7.307 1.00 0.00 N ATOM 115 CA PRO A 8 6.997 4.329 7.410 1.00 0.00 C ATOM 116 C PRO A 8 6.042 3.936 6.279 1.00 0.00 C ATOM 117 O PRO A 8 4.885 4.338 6.267 1.00 0.00 O ATOM 118 CB PRO A 8 7.197 5.839 7.366 1.00 0.00 C ATOM 119 CG PRO A 8 8.648 6.079 7.794 1.00 0.00 C ATOM 120 CD PRO A 8 9.390 4.798 7.412 1.00 0.00 C ATOM 0 HA PRO A 8 6.529 3.935 8.312 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.015 6.229 6.364 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.502 6.345 8.036 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.071 6.946 7.287 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.717 6.271 8.865 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.925 4.915 6.470 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.128 4.526 8.166 1.00 0.00 H new ATOM 128 N TRP A 9 6.569 3.122 5.342 1.00 0.00 N ATOM 129 CA TRP A 9 5.676 2.678 4.270 1.00 0.00 C ATOM 130 C TRP A 9 4.811 3.837 3.736 1.00 0.00 C ATOM 131 O TRP A 9 3.688 3.643 3.283 1.00 0.00 O ATOM 132 CB TRP A 9 4.786 1.492 4.709 1.00 0.00 C ATOM 133 CG TRP A 9 4.176 1.710 6.079 1.00 0.00 C ATOM 134 CD1 TRP A 9 4.749 1.284 7.283 1.00 0.00 C ATOM 135 CD2 TRP A 9 2.968 2.418 6.423 1.00 0.00 C ATOM 136 NE1 TRP A 9 3.987 1.682 8.332 1.00 0.00 N ATOM 137 CE2 TRP A 9 2.876 2.381 7.880 1.00 0.00 C ATOM 138 CE3 TRP A 9 1.972 3.080 5.666 1.00 0.00 C ATOM 139 CZ2 TRP A 9 1.792 3.000 8.544 1.00 0.00 C ATOM 140 CZ3 TRP A 9 0.863 3.715 6.338 1.00 0.00 C ATOM 141 CH2 TRP A 9 0.773 3.674 7.778 1.00 0.00 C ATOM 0 H TRP A 9 7.531 2.784 5.306 1.00 0.00 H new ATOM 0 HA TRP A 9 6.314 2.329 3.458 1.00 0.00 H new ATOM 0 HB2 TRP A 9 3.991 1.347 3.978 1.00 0.00 H new ATOM 0 HB3 TRP A 9 5.380 0.578 4.719 1.00 0.00 H new ATOM 0 HD1 TRP A 9 5.666 0.720 7.365 1.00 0.00 H new ATOM 0 HE1 TRP A 9 4.200 1.495 9.312 1.00 0.00 H new ATOM 0 HE3 TRP A 9 2.041 3.110 4.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.727 2.968 9.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.101 4.221 5.763 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -0.057 4.148 8.281 1.00 0.00 H new ATOM 152 N PHE A 10 5.410 5.043 3.813 1.00 0.00 N ATOM 153 CA PHE A 10 4.684 6.233 3.431 1.00 0.00 C ATOM 154 C PHE A 10 5.188 6.724 2.073 1.00 0.00 C ATOM 155 O PHE A 10 6.354 7.062 1.902 1.00 0.00 O ATOM 156 CB PHE A 10 4.932 7.306 4.493 1.00 0.00 C ATOM 157 CG PHE A 10 4.038 8.495 4.301 1.00 0.00 C ATOM 158 CD1 PHE A 10 4.453 9.586 3.458 1.00 0.00 C ATOM 159 CD2 PHE A 10 2.760 8.556 4.961 1.00 0.00 C ATOM 160 CE1 PHE A 10 3.600 10.731 3.278 1.00 0.00 C ATOM 161 CE2 PHE A 10 1.903 9.698 4.783 1.00 0.00 C ATOM 162 CZ PHE A 10 2.324 10.786 3.942 1.00 0.00 C ATOM 0 H PHE A 10 6.367 5.200 4.129 1.00 0.00 H new ATOM 0 HA PHE A 10 3.618 6.019 3.355 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.766 6.882 5.484 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.974 7.624 4.453 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.409 9.545 2.958 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.443 7.740 5.593 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.917 11.547 2.646 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.945 9.738 5.280 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.683 11.645 3.809 1.00 0.00 H new ATOM 172 N PHE A 11 4.236 6.739 1.124 1.00 0.00 N ATOM 173 CA PHE A 11 4.612 7.177 -0.208 1.00 0.00 C ATOM 174 C PHE A 11 3.749 8.377 -0.603 1.00 0.00 C ATOM 175 O PHE A 11 2.730 8.255 -1.272 1.00 0.00 O ATOM 176 CB PHE A 11 4.443 6.015 -1.190 1.00 0.00 C ATOM 177 CG PHE A 11 5.315 4.858 -0.803 1.00 0.00 C ATOM 178 CD1 PHE A 11 4.977 4.046 0.339 1.00 0.00 C ATOM 179 CD2 PHE A 11 6.499 4.555 -1.564 1.00 0.00 C ATOM 180 CE1 PHE A 11 5.818 2.941 0.717 1.00 0.00 C ATOM 181 CE2 PHE A 11 7.342 3.451 -1.187 1.00 0.00 C ATOM 182 CZ PHE A 11 7.001 2.645 -0.045 1.00 0.00 C ATOM 0 H PHE A 11 3.261 6.469 1.251 1.00 0.00 H new ATOM 0 HA PHE A 11 5.657 7.487 -0.228 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.400 5.699 -1.210 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.696 6.345 -2.198 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.089 4.268 0.913 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.756 5.159 -2.422 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.561 2.334 1.573 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.229 3.228 -1.761 1.00 0.00 H new ATOM 0 HZ PHE A 11 7.634 1.817 0.240 1.00 0.00 H new ATOM 192 N GLY A 12 4.234 9.541 -0.133 1.00 0.00 N ATOM 193 CA GLY A 12 3.465 10.748 -0.362 1.00 0.00 C ATOM 194 C GLY A 12 3.067 10.866 -1.831 1.00 0.00 C ATOM 195 O GLY A 12 3.887 11.082 -2.715 1.00 0.00 O ATOM 0 H GLY A 12 5.108 9.658 0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.571 10.739 0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.051 11.619 -0.068 1.00 0.00 H new ATOM 199 N LYS A 13 1.742 10.712 -1.997 1.00 0.00 N ATOM 200 CA LYS A 13 1.119 10.788 -3.309 1.00 0.00 C ATOM 201 C LYS A 13 2.103 10.406 -4.417 1.00 0.00 C ATOM 202 O LYS A 13 2.224 11.076 -5.436 1.00 0.00 O ATOM 203 CB LYS A 13 0.564 12.192 -3.542 1.00 0.00 C ATOM 204 CG LYS A 13 1.661 13.252 -3.621 1.00 0.00 C ATOM 205 CD LYS A 13 1.068 14.643 -3.850 1.00 0.00 C ATOM 206 CE LYS A 13 2.147 15.718 -3.973 1.00 0.00 C ATOM 207 NZ LYS A 13 2.909 15.885 -2.740 1.00 0.00 N ATOM 0 H LYS A 13 1.091 10.535 -1.232 1.00 0.00 H new ATOM 0 HA LYS A 13 0.298 10.072 -3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.013 12.202 -4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.123 12.445 -2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.242 13.248 -2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.348 13.009 -4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.463 14.633 -4.756 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.402 14.892 -3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.826 15.456 -4.784 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.682 16.667 -4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.546 16.702 -2.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.255 16.044 -1.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.470 15.028 -2.560 1.00 0.00 H new ATOM 221 N ILE A 14 2.798 9.290 -4.139 1.00 0.00 N ATOM 222 CA ILE A 14 3.770 8.835 -5.110 1.00 0.00 C ATOM 223 C ILE A 14 3.047 8.510 -6.422 1.00 0.00 C ATOM 224 O ILE A 14 1.995 7.881 -6.429 1.00 0.00 O ATOM 225 CB ILE A 14 4.469 7.589 -4.566 1.00 0.00 C ATOM 226 CG1 ILE A 14 5.720 7.256 -5.376 1.00 0.00 C ATOM 227 CG2 ILE A 14 3.502 6.405 -4.538 1.00 0.00 C ATOM 228 CD1 ILE A 14 6.837 8.267 -5.112 1.00 0.00 C ATOM 0 H ILE A 14 2.705 8.723 -3.296 1.00 0.00 H new ATOM 0 HA ILE A 14 4.515 9.609 -5.296 1.00 0.00 H new ATOM 0 HB ILE A 14 4.787 7.798 -3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 14 6.065 6.254 -5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.477 7.248 -6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.015 5.526 -4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.653 6.644 -3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.148 6.200 -5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.714 8.003 -5.703 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.498 9.265 -5.391 1.00 0.00 H new ATOM 0 HD13 ILE A 14 7.096 8.255 -4.053 1.00 0.00 H new ATOM 240 N PRO A 15 3.657 8.970 -7.539 1.00 0.00 N ATOM 241 CA PRO A 15 3.112 8.729 -8.866 1.00 0.00 C ATOM 242 C PRO A 15 2.631 7.291 -9.063 1.00 0.00 C ATOM 243 O PRO A 15 3.376 6.331 -8.915 1.00 0.00 O ATOM 244 CB PRO A 15 4.271 9.056 -9.806 1.00 0.00 C ATOM 245 CG PRO A 15 5.142 10.045 -9.024 1.00 0.00 C ATOM 246 CD PRO A 15 4.914 9.705 -7.548 1.00 0.00 C ATOM 0 HA PRO A 15 2.225 9.336 -9.048 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.831 8.159 -10.070 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.913 9.495 -10.737 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.193 9.942 -9.294 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.857 11.075 -9.239 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.730 9.103 -7.148 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.853 10.606 -6.937 1.00 0.00 H new ATOM 254 N ARG A 16 1.330 7.218 -9.397 1.00 0.00 N ATOM 255 CA ARG A 16 0.724 5.910 -9.561 1.00 0.00 C ATOM 256 C ARG A 16 1.679 4.958 -10.288 1.00 0.00 C ATOM 257 O ARG A 16 1.824 3.795 -9.933 1.00 0.00 O ATOM 258 CB ARG A 16 -0.598 6.039 -10.320 1.00 0.00 C ATOM 259 CG ARG A 16 -0.425 6.395 -11.800 1.00 0.00 C ATOM 260 CD ARG A 16 0.207 7.773 -12.012 1.00 0.00 C ATOM 261 NE ARG A 16 0.206 8.103 -13.424 1.00 0.00 N ATOM 262 CZ ARG A 16 0.488 9.367 -13.793 1.00 0.00 C ATOM 263 NH1 ARG A 16 0.760 10.290 -12.874 1.00 0.00 N ATOM 264 NH2 ARG A 16 0.494 9.693 -15.082 1.00 0.00 N ATOM 0 H ARG A 16 0.713 8.016 -9.550 1.00 0.00 H new ATOM 0 HA ARG A 16 0.521 5.491 -8.575 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.145 5.099 -10.243 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.209 6.803 -9.840 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.196 5.639 -12.280 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.398 6.368 -12.291 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.347 8.527 -11.453 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.227 7.778 -11.629 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.004 7.392 -14.124 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.756 10.042 -11.885 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.973 11.246 -13.159 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.285 8.987 -15.788 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.707 10.649 -15.365 1.00 0.00 H new ATOM 278 N ALA A 17 2.323 5.536 -11.317 1.00 0.00 N ATOM 279 CA ALA A 17 3.278 4.736 -12.056 1.00 0.00 C ATOM 280 C ALA A 17 4.373 4.242 -11.107 1.00 0.00 C ATOM 281 O ALA A 17 4.551 3.051 -10.886 1.00 0.00 O ATOM 282 CB ALA A 17 3.892 5.570 -13.180 1.00 0.00 C ATOM 0 H ALA A 17 2.202 6.498 -11.633 1.00 0.00 H new ATOM 0 HA ALA A 17 2.770 3.876 -12.494 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.610 4.964 -13.733 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.105 5.906 -13.855 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.400 6.436 -12.755 1.00 0.00 H new ATOM 288 N LYS A 18 5.090 5.247 -10.571 1.00 0.00 N ATOM 289 CA LYS A 18 6.196 4.922 -9.691 1.00 0.00 C ATOM 290 C LYS A 18 5.796 3.808 -8.719 1.00 0.00 C ATOM 291 O LYS A 18 6.475 2.799 -8.582 1.00 0.00 O ATOM 292 CB LYS A 18 6.624 6.170 -8.924 1.00 0.00 C ATOM 293 CG LYS A 18 7.901 5.922 -8.123 1.00 0.00 C ATOM 294 CD LYS A 18 9.103 5.677 -9.034 1.00 0.00 C ATOM 295 CE LYS A 18 10.397 5.489 -8.240 1.00 0.00 C ATOM 296 NZ LYS A 18 11.547 5.246 -9.102 1.00 0.00 N ATOM 0 H LYS A 18 4.925 6.241 -10.729 1.00 0.00 H new ATOM 0 HA LYS A 18 7.035 4.567 -10.290 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.785 6.991 -9.623 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.824 6.477 -8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.100 6.780 -7.481 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.759 5.061 -7.469 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.921 4.792 -9.644 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.217 6.518 -9.718 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.581 6.377 -7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.279 4.652 -7.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.399 5.125 -8.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.386 4.384 -9.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.678 6.055 -9.742 1.00 0.00 H new ATOM 310 N ALA A 19 4.653 4.063 -8.056 1.00 0.00 N ATOM 311 CA ALA A 19 4.196 3.084 -7.085 1.00 0.00 C ATOM 312 C ALA A 19 4.296 1.679 -7.681 1.00 0.00 C ATOM 313 O ALA A 19 4.835 0.757 -7.080 1.00 0.00 O ATOM 314 CB ALA A 19 2.747 3.374 -6.693 1.00 0.00 C ATOM 0 H ALA A 19 4.067 4.890 -8.171 1.00 0.00 H new ATOM 0 HA ALA A 19 4.825 3.145 -6.197 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.412 2.635 -5.965 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.681 4.370 -6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.113 3.323 -7.579 1.00 0.00 H new ATOM 320 N GLU A 20 3.741 1.591 -8.901 1.00 0.00 N ATOM 321 CA GLU A 20 3.765 0.307 -9.573 1.00 0.00 C ATOM 322 C GLU A 20 5.210 -0.140 -9.802 1.00 0.00 C ATOM 323 O GLU A 20 5.573 -1.290 -9.589 1.00 0.00 O ATOM 324 CB GLU A 20 3.048 0.420 -10.918 1.00 0.00 C ATOM 325 CG GLU A 20 1.564 0.750 -10.749 1.00 0.00 C ATOM 326 CD GLU A 20 0.898 0.866 -12.121 1.00 0.00 C ATOM 327 OE1 GLU A 20 1.370 0.224 -13.059 1.00 0.00 O ATOM 328 OE2 GLU A 20 -0.081 1.601 -12.238 1.00 0.00 O ATOM 0 H GLU A 20 3.296 2.355 -9.410 1.00 0.00 H new ATOM 0 HA GLU A 20 3.259 -0.429 -8.949 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.525 1.193 -11.520 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.151 -0.518 -11.464 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.074 -0.027 -10.162 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.450 1.685 -10.200 1.00 0.00 H new ATOM 335 N GLU A 21 6.000 0.845 -10.265 1.00 0.00 N ATOM 336 CA GLU A 21 7.352 0.510 -10.660 1.00 0.00 C ATOM 337 C GLU A 21 8.187 0.093 -9.447 1.00 0.00 C ATOM 338 O GLU A 21 8.558 -1.062 -9.292 1.00 0.00 O ATOM 339 CB GLU A 21 7.988 1.703 -11.374 1.00 0.00 C ATOM 340 CG GLU A 21 7.137 2.161 -12.559 1.00 0.00 C ATOM 341 CD GLU A 21 7.850 3.290 -13.306 1.00 0.00 C ATOM 342 OE1 GLU A 21 9.079 3.277 -13.354 1.00 0.00 O ATOM 343 OE2 GLU A 21 7.167 4.171 -13.827 1.00 0.00 O ATOM 0 H GLU A 21 5.733 1.824 -10.367 1.00 0.00 H new ATOM 0 HA GLU A 21 7.320 -0.337 -11.345 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.110 2.527 -10.671 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.984 1.432 -11.723 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.957 1.324 -13.233 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.163 2.503 -12.208 1.00 0.00 H new ATOM 350 N MET A 22 8.475 1.109 -8.614 1.00 0.00 N ATOM 351 CA MET A 22 9.375 0.825 -7.512 1.00 0.00 C ATOM 352 C MET A 22 8.971 -0.476 -6.812 1.00 0.00 C ATOM 353 O MET A 22 9.802 -1.308 -6.466 1.00 0.00 O ATOM 354 CB MET A 22 9.401 1.995 -6.529 1.00 0.00 C ATOM 355 CG MET A 22 8.224 1.976 -5.556 1.00 0.00 C ATOM 356 SD MET A 22 8.431 0.700 -4.304 1.00 0.00 S ATOM 357 CE MET A 22 9.820 1.437 -3.428 1.00 0.00 C ATOM 0 H MET A 22 8.122 2.064 -8.681 1.00 0.00 H new ATOM 0 HA MET A 22 10.382 0.695 -7.908 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.333 1.969 -5.965 1.00 0.00 H new ATOM 0 HB3 MET A 22 9.391 2.932 -7.086 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.132 2.949 -5.074 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.298 1.803 -6.105 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.666 0.750 -3.443 1.00 0.00 H new ATOM 0 HE2 MET A 22 10.102 2.371 -3.914 1.00 0.00 H new ATOM 0 HE3 MET A 22 9.534 1.637 -2.395 1.00 0.00 H new ATOM 367 N LEU A 23 7.641 -0.597 -6.636 1.00 0.00 N ATOM 368 CA LEU A 23 7.144 -1.773 -5.943 1.00 0.00 C ATOM 369 C LEU A 23 7.168 -3.033 -6.826 1.00 0.00 C ATOM 370 O LEU A 23 7.234 -4.150 -6.328 1.00 0.00 O ATOM 371 CB LEU A 23 5.718 -1.512 -5.475 1.00 0.00 C ATOM 372 CG LEU A 23 5.161 -2.702 -4.700 1.00 0.00 C ATOM 373 CD1 LEU A 23 5.969 -2.957 -3.429 1.00 0.00 C ATOM 374 CD2 LEU A 23 3.695 -2.456 -4.360 1.00 0.00 C ATOM 0 H LEU A 23 6.936 0.070 -6.948 1.00 0.00 H new ATOM 0 HA LEU A 23 7.803 -1.958 -5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.697 -0.623 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.082 -1.307 -6.336 1.00 0.00 H new ATOM 0 HG LEU A 23 5.238 -3.590 -5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.550 -3.811 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.005 -3.167 -3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.929 -2.075 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.302 -3.309 -3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.609 -1.557 -3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.125 -2.326 -5.280 1.00 0.00 H new ATOM 386 N SER A 24 7.114 -2.803 -8.152 1.00 0.00 N ATOM 387 CA SER A 24 7.216 -3.958 -9.032 1.00 0.00 C ATOM 388 C SER A 24 8.661 -4.489 -9.087 1.00 0.00 C ATOM 389 O SER A 24 8.898 -5.682 -9.221 1.00 0.00 O ATOM 390 CB SER A 24 6.748 -3.587 -10.440 1.00 0.00 C ATOM 391 OG SER A 24 7.523 -2.539 -10.963 1.00 0.00 O ATOM 0 H SER A 24 7.008 -1.894 -8.603 1.00 0.00 H new ATOM 0 HA SER A 24 6.577 -4.745 -8.632 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.818 -4.457 -11.092 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.699 -3.292 -10.413 1.00 0.00 H new ATOM 0 HG SER A 24 8.091 -2.168 -10.256 1.00 0.00 H new ATOM 397 N LYS A 25 9.601 -3.531 -8.976 1.00 0.00 N ATOM 398 CA LYS A 25 11.003 -3.901 -9.026 1.00 0.00 C ATOM 399 C LYS A 25 11.438 -4.548 -7.705 1.00 0.00 C ATOM 400 O LYS A 25 12.534 -4.316 -7.210 1.00 0.00 O ATOM 401 CB LYS A 25 11.822 -2.638 -9.288 1.00 0.00 C ATOM 402 CG LYS A 25 11.310 -1.893 -10.522 1.00 0.00 C ATOM 403 CD LYS A 25 11.928 -0.502 -10.653 1.00 0.00 C ATOM 404 CE LYS A 25 13.414 -0.563 -11.005 1.00 0.00 C ATOM 405 NZ LYS A 25 14.002 0.762 -11.157 1.00 0.00 N ATOM 0 H LYS A 25 9.413 -2.536 -8.856 1.00 0.00 H new ATOM 0 HA LYS A 25 11.164 -4.627 -9.823 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.773 -1.983 -8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.870 -2.903 -9.429 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.536 -2.475 -11.416 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.225 -1.803 -10.466 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.397 0.059 -11.422 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.800 0.041 -9.716 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.947 -1.107 -10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.543 -1.124 -11.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.010 0.669 -11.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.512 1.274 -11.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.904 1.290 -10.266 1.00 0.00 H new ATOM 419 N GLN A 26 10.511 -5.364 -7.163 1.00 0.00 N ATOM 420 CA GLN A 26 10.836 -6.013 -5.909 1.00 0.00 C ATOM 421 C GLN A 26 11.225 -7.465 -6.153 1.00 0.00 C ATOM 422 O GLN A 26 10.602 -8.202 -6.907 1.00 0.00 O ATOM 423 CB GLN A 26 9.659 -5.895 -4.946 1.00 0.00 C ATOM 424 CG GLN A 26 9.399 -4.431 -4.602 1.00 0.00 C ATOM 425 CD GLN A 26 10.617 -3.826 -3.903 1.00 0.00 C ATOM 426 OE1 GLN A 26 10.396 -3.574 -2.601 1.00 0.00 O flip ATOM 427 NE2 GLN A 26 11.657 -3.583 -4.502 1.00 0.00 N flip ATOM 0 H GLN A 26 9.592 -5.571 -7.555 1.00 0.00 H new ATOM 0 HA GLN A 26 11.693 -5.518 -5.453 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.768 -6.334 -5.395 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.867 -6.458 -4.036 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.177 -3.871 -5.510 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.524 -4.352 -3.957 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.739 -3.808 -5.494 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.441 -3.156 -4.009 1.00 0.00 H new ATOM 436 N ARG A 27 12.309 -7.792 -5.435 1.00 0.00 N ATOM 437 CA ARG A 27 12.754 -9.165 -5.366 1.00 0.00 C ATOM 438 C ARG A 27 12.626 -9.587 -3.900 1.00 0.00 C ATOM 439 O ARG A 27 13.571 -9.478 -3.128 1.00 0.00 O ATOM 440 CB ARG A 27 14.214 -9.274 -5.808 1.00 0.00 C ATOM 441 CG ARG A 27 14.391 -9.087 -7.317 1.00 0.00 C ATOM 442 CD ARG A 27 14.155 -7.648 -7.774 1.00 0.00 C ATOM 443 NE ARG A 27 14.404 -7.541 -9.200 1.00 0.00 N ATOM 444 CZ ARG A 27 14.294 -6.336 -9.790 1.00 0.00 C ATOM 445 NH1 ARG A 27 13.967 -5.265 -9.072 1.00 0.00 N ATOM 446 NH2 ARG A 27 14.513 -6.216 -11.096 1.00 0.00 N ATOM 0 H ARG A 27 12.876 -7.128 -4.907 1.00 0.00 H new ATOM 0 HA ARG A 27 12.160 -9.802 -6.021 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.805 -8.525 -5.282 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.605 -10.250 -5.519 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.399 -9.391 -7.599 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.700 -9.747 -7.842 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.131 -7.348 -7.550 1.00 0.00 H new ATOM 0 HD3 ARG A 27 14.812 -6.971 -7.228 1.00 0.00 H new ATOM 0 HE ARG A 27 14.658 -8.365 -9.746 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.798 -5.355 -8.070 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.885 -4.354 -9.523 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.764 -7.036 -11.649 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.430 -5.304 -11.545 1.00 0.00 H new ATOM 460 N HIS A 28 11.400 -10.012 -3.539 1.00 0.00 N ATOM 461 CA HIS A 28 10.392 -10.331 -4.539 1.00 0.00 C ATOM 462 C HIS A 28 8.993 -10.593 -3.947 1.00 0.00 C ATOM 463 O HIS A 28 8.113 -11.094 -4.635 1.00 0.00 O ATOM 464 CB HIS A 28 10.836 -11.584 -5.297 1.00 0.00 C ATOM 465 CG HIS A 28 10.193 -11.609 -6.663 1.00 0.00 C ATOM 466 ND1 HIS A 28 9.108 -10.877 -7.002 1.00 0.00 N ATOM 467 CD2 HIS A 28 10.591 -12.356 -7.783 1.00 0.00 C ATOM 468 CE1 HIS A 28 8.857 -11.172 -8.289 1.00 0.00 C ATOM 469 NE2 HIS A 28 9.736 -12.061 -8.788 1.00 0.00 N ATOM 0 H HIS A 28 11.097 -10.138 -2.573 1.00 0.00 H new ATOM 0 HA HIS A 28 10.307 -9.461 -5.190 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.921 -11.595 -5.395 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.557 -12.477 -4.737 1.00 0.00 H new ATOM 0 HD1 HIS A 28 8.588 -10.234 -6.405 1.00 0.00 H new ATOM 0 HD2 HIS A 28 11.426 -13.040 -7.833 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.044 -10.745 -8.857 1.00 0.00 H new ATOM 477 N ASP A 29 8.836 -10.249 -2.655 1.00 0.00 N ATOM 478 CA ASP A 29 7.582 -10.597 -2.010 1.00 0.00 C ATOM 479 C ASP A 29 7.397 -9.792 -0.722 1.00 0.00 C ATOM 480 O ASP A 29 8.255 -9.763 0.152 1.00 0.00 O ATOM 481 CB ASP A 29 7.572 -12.088 -1.657 1.00 0.00 C ATOM 482 CG ASP A 29 7.735 -12.947 -2.911 1.00 0.00 C ATOM 483 OD1 ASP A 29 8.872 -13.182 -3.318 1.00 0.00 O ATOM 484 OD2 ASP A 29 6.723 -13.376 -3.464 1.00 0.00 O ATOM 0 H ASP A 29 9.521 -9.761 -2.077 1.00 0.00 H new ATOM 0 HA ASP A 29 6.771 -10.369 -2.702 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.378 -12.305 -0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.637 -12.341 -1.157 1.00 0.00 H new ATOM 489 N GLY A 30 6.205 -9.171 -0.655 1.00 0.00 N ATOM 490 CA GLY A 30 5.832 -8.554 0.605 1.00 0.00 C ATOM 491 C GLY A 30 5.988 -7.029 0.591 1.00 0.00 C ATOM 492 O GLY A 30 5.299 -6.318 1.313 1.00 0.00 O ATOM 0 H GLY A 30 5.529 -9.091 -1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.797 -8.806 0.835 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.446 -8.970 1.404 1.00 0.00 H new ATOM 496 N ALA A 31 6.919 -6.562 -0.264 1.00 0.00 N ATOM 497 CA ALA A 31 7.101 -5.125 -0.346 1.00 0.00 C ATOM 498 C ALA A 31 5.735 -4.453 -0.461 1.00 0.00 C ATOM 499 O ALA A 31 4.867 -4.905 -1.199 1.00 0.00 O ATOM 500 CB ALA A 31 7.939 -4.779 -1.573 1.00 0.00 C ATOM 0 H ALA A 31 7.516 -7.128 -0.867 1.00 0.00 H new ATOM 0 HA ALA A 31 7.613 -4.773 0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.072 -3.699 -1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.913 -5.261 -1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.431 -5.129 -2.471 1.00 0.00 H new ATOM 506 N PHE A 32 5.578 -3.366 0.319 1.00 0.00 N ATOM 507 CA PHE A 32 4.255 -2.762 0.276 1.00 0.00 C ATOM 508 C PHE A 32 4.311 -1.235 0.277 1.00 0.00 C ATOM 509 O PHE A 32 5.325 -0.601 0.544 1.00 0.00 O ATOM 510 CB PHE A 32 3.374 -3.290 1.408 1.00 0.00 C ATOM 511 CG PHE A 32 3.757 -2.728 2.745 1.00 0.00 C ATOM 512 CD1 PHE A 32 4.942 -3.189 3.421 1.00 0.00 C ATOM 513 CD2 PHE A 32 2.928 -1.729 3.369 1.00 0.00 C ATOM 514 CE1 PHE A 32 5.289 -2.664 4.715 1.00 0.00 C ATOM 515 CE2 PHE A 32 3.272 -1.203 4.663 1.00 0.00 C ATOM 516 CZ PHE A 32 4.452 -1.673 5.337 1.00 0.00 C ATOM 0 H PHE A 32 6.276 -2.932 0.924 1.00 0.00 H new ATOM 0 HA PHE A 32 3.801 -3.055 -0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.333 -3.044 1.199 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.444 -4.377 1.441 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.573 -3.932 2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.043 -1.373 2.863 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.178 -3.014 5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.645 -0.456 5.127 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.710 -1.282 6.310 1.00 0.00 H new ATOM 526 N LEU A 33 3.127 -0.725 -0.098 1.00 0.00 N ATOM 527 CA LEU A 33 2.982 0.663 -0.484 1.00 0.00 C ATOM 528 C LEU A 33 1.828 1.269 0.302 1.00 0.00 C ATOM 529 O LEU A 33 0.818 0.619 0.538 1.00 0.00 O ATOM 530 CB LEU A 33 2.554 0.659 -1.954 1.00 0.00 C ATOM 531 CG LEU A 33 3.029 1.823 -2.819 1.00 0.00 C ATOM 532 CD1 LEU A 33 2.277 3.110 -2.497 1.00 0.00 C ATOM 533 CD2 LEU A 33 4.543 1.990 -2.748 1.00 0.00 C ATOM 0 H LEU A 33 2.262 -1.265 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 33 3.904 1.217 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.909 -0.266 -2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.465 0.634 -1.989 1.00 0.00 H new ATOM 0 HG LEU A 33 2.792 1.583 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.644 3.915 -3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.212 2.963 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.437 3.373 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.846 2.828 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.840 2.183 -1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.026 1.079 -3.100 1.00 0.00 H new ATOM 545 N ILE A 34 1.992 2.562 0.624 1.00 0.00 N ATOM 546 CA ILE A 34 0.762 3.306 0.805 1.00 0.00 C ATOM 547 C ILE A 34 0.961 4.742 0.331 1.00 0.00 C ATOM 548 O ILE A 34 1.813 5.481 0.809 1.00 0.00 O ATOM 549 CB ILE A 34 0.277 3.247 2.253 1.00 0.00 C ATOM 550 CG1 ILE A 34 -0.124 1.815 2.613 1.00 0.00 C ATOM 551 CG2 ILE A 34 -0.902 4.202 2.450 1.00 0.00 C ATOM 552 CD1 ILE A 34 -0.844 1.724 3.959 1.00 0.00 C ATOM 0 H ILE A 34 2.871 3.063 0.751 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.020 2.846 0.201 1.00 0.00 H new ATOM 0 HB ILE A 34 1.087 3.556 2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.771 1.416 1.832 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.767 1.188 2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.241 4.153 3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.588 5.220 2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.718 3.914 1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.105 0.685 4.163 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.189 2.095 4.748 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.752 2.326 3.927 1.00 0.00 H new ATOM 564 N ARG A 35 0.118 5.061 -0.668 1.00 0.00 N ATOM 565 CA ARG A 35 0.282 6.337 -1.334 1.00 0.00 C ATOM 566 C ARG A 35 -0.914 7.243 -1.042 1.00 0.00 C ATOM 567 O ARG A 35 -2.042 6.797 -0.867 1.00 0.00 O ATOM 568 CB ARG A 35 0.404 6.098 -2.837 1.00 0.00 C ATOM 569 CG ARG A 35 -0.837 5.398 -3.386 1.00 0.00 C ATOM 570 CD ARG A 35 -0.717 5.096 -4.879 1.00 0.00 C ATOM 571 NE ARG A 35 -0.610 6.334 -5.629 1.00 0.00 N ATOM 572 CZ ARG A 35 -1.033 6.376 -6.907 1.00 0.00 C ATOM 573 NH1 ARG A 35 -1.546 5.293 -7.486 1.00 0.00 N ATOM 574 NH2 ARG A 35 -0.935 7.509 -7.597 1.00 0.00 N ATOM 0 H ARG A 35 -0.644 4.476 -1.010 1.00 0.00 H new ATOM 0 HA ARG A 35 1.183 6.828 -0.966 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.545 7.050 -3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.287 5.492 -3.041 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.998 4.468 -2.841 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.712 6.025 -3.213 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.158 4.473 -5.063 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.587 4.531 -5.215 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.217 7.167 -5.191 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.621 4.422 -6.961 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.864 5.334 -8.454 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.541 8.341 -7.158 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.254 7.546 -8.565 1.00 0.00 H new ATOM 588 N GLU A 36 -0.580 8.545 -0.998 1.00 0.00 N ATOM 589 CA GLU A 36 -1.623 9.519 -0.743 1.00 0.00 C ATOM 590 C GLU A 36 -2.289 9.920 -2.062 1.00 0.00 C ATOM 591 O GLU A 36 -1.797 9.635 -3.147 1.00 0.00 O ATOM 592 CB GLU A 36 -1.017 10.753 -0.073 1.00 0.00 C ATOM 593 CG GLU A 36 -0.251 10.394 1.199 1.00 0.00 C ATOM 594 CD GLU A 36 0.302 11.665 1.847 1.00 0.00 C ATOM 595 OE1 GLU A 36 1.308 12.181 1.364 1.00 0.00 O ATOM 596 OE2 GLU A 36 -0.278 12.121 2.831 1.00 0.00 O ATOM 0 H GLU A 36 0.359 8.922 -1.130 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.372 9.082 -0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.346 11.252 -0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.810 11.461 0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.909 9.876 1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.565 9.711 0.963 1.00 0.00 H new ATOM 603 N SER A 37 -3.433 10.607 -1.892 1.00 0.00 N ATOM 604 CA SER A 37 -4.084 11.126 -3.079 1.00 0.00 C ATOM 605 C SER A 37 -3.253 12.300 -3.623 1.00 0.00 C ATOM 606 O SER A 37 -2.034 12.224 -3.711 1.00 0.00 O ATOM 607 CB SER A 37 -5.517 11.539 -2.732 1.00 0.00 C ATOM 608 OG SER A 37 -6.187 12.010 -3.874 1.00 0.00 O ATOM 0 H SER A 37 -3.892 10.800 -1.002 1.00 0.00 H new ATOM 0 HA SER A 37 -4.144 10.366 -3.858 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.055 10.688 -2.313 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.502 12.315 -1.967 1.00 0.00 H new ATOM 0 HG SER A 37 -7.101 12.268 -3.634 1.00 0.00 H new ATOM 614 N GLU A 38 -3.971 13.387 -3.965 1.00 0.00 N ATOM 615 CA GLU A 38 -3.254 14.571 -4.396 1.00 0.00 C ATOM 616 C GLU A 38 -3.199 15.572 -3.240 1.00 0.00 C ATOM 617 O GLU A 38 -2.160 15.809 -2.634 1.00 0.00 O ATOM 618 CB GLU A 38 -3.962 15.190 -5.601 1.00 0.00 C ATOM 619 CG GLU A 38 -3.210 16.402 -6.146 1.00 0.00 C ATOM 620 CD GLU A 38 -3.952 16.977 -7.354 1.00 0.00 C ATOM 621 OE1 GLU A 38 -3.749 16.477 -8.459 1.00 0.00 O ATOM 622 OE2 GLU A 38 -4.720 17.921 -7.176 1.00 0.00 O ATOM 0 H GLU A 38 -4.988 13.459 -3.950 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.238 14.304 -4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.061 14.441 -6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.971 15.488 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.117 17.162 -5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.199 16.114 -6.433 1.00 0.00 H new ATOM 629 N SER A 39 -4.394 16.129 -2.980 1.00 0.00 N ATOM 630 CA SER A 39 -4.502 17.047 -1.862 1.00 0.00 C ATOM 631 C SER A 39 -5.672 16.628 -0.965 1.00 0.00 C ATOM 632 O SER A 39 -6.490 17.440 -0.549 1.00 0.00 O ATOM 633 CB SER A 39 -4.716 18.470 -2.380 1.00 0.00 C ATOM 634 OG SER A 39 -4.798 19.379 -1.313 1.00 0.00 O ATOM 0 H SER A 39 -5.252 15.964 -3.506 1.00 0.00 H new ATOM 0 HA SER A 39 -3.581 17.020 -1.280 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.895 18.749 -3.040 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.630 18.513 -2.972 1.00 0.00 H new ATOM 0 HG SER A 39 -5.450 19.055 -0.657 1.00 0.00 H new ATOM 640 N ALA A 40 -5.696 15.306 -0.714 1.00 0.00 N ATOM 641 CA ALA A 40 -6.794 14.770 0.066 1.00 0.00 C ATOM 642 C ALA A 40 -6.372 13.458 0.721 1.00 0.00 C ATOM 643 O ALA A 40 -6.216 12.443 0.055 1.00 0.00 O ATOM 644 CB ALA A 40 -7.970 14.447 -0.857 1.00 0.00 C ATOM 0 H ALA A 40 -5.000 14.630 -1.027 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.073 15.509 0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.794 14.044 -0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.296 15.356 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.659 13.710 -1.598 1.00 0.00 H new ATOM 650 N PRO A 41 -6.224 13.505 2.063 1.00 0.00 N ATOM 651 CA PRO A 41 -6.008 12.282 2.809 1.00 0.00 C ATOM 652 C PRO A 41 -7.182 11.347 2.523 1.00 0.00 C ATOM 653 O PRO A 41 -7.733 11.342 1.429 1.00 0.00 O ATOM 654 CB PRO A 41 -5.991 12.730 4.275 1.00 0.00 C ATOM 655 CG PRO A 41 -5.780 14.245 4.245 1.00 0.00 C ATOM 656 CD PRO A 41 -6.291 14.706 2.877 1.00 0.00 C ATOM 0 HA PRO A 41 -5.091 11.752 2.552 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.927 12.475 4.773 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.192 12.235 4.826 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.327 14.733 5.052 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.727 14.497 4.375 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.309 15.092 2.939 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.672 15.504 2.466 1.00 0.00 H new ATOM 664 N GLY A 42 -7.554 10.596 3.574 1.00 0.00 N ATOM 665 CA GLY A 42 -8.690 9.694 3.451 1.00 0.00 C ATOM 666 C GLY A 42 -8.451 8.542 2.456 1.00 0.00 C ATOM 667 O GLY A 42 -9.026 7.467 2.582 1.00 0.00 O ATOM 0 H GLY A 42 -7.096 10.599 4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.920 9.276 4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.564 10.263 3.134 1.00 0.00 H new ATOM 671 N ASP A 43 -7.589 8.827 1.461 1.00 0.00 N ATOM 672 CA ASP A 43 -7.390 7.880 0.383 1.00 0.00 C ATOM 673 C ASP A 43 -5.968 7.322 0.458 1.00 0.00 C ATOM 674 O ASP A 43 -4.983 8.037 0.323 1.00 0.00 O ATOM 675 CB ASP A 43 -7.618 8.607 -0.945 1.00 0.00 C ATOM 676 CG ASP A 43 -9.070 9.079 -1.030 1.00 0.00 C ATOM 677 OD1 ASP A 43 -9.909 8.314 -1.507 1.00 0.00 O ATOM 678 OD2 ASP A 43 -9.346 10.207 -0.625 1.00 0.00 O ATOM 0 H ASP A 43 -7.040 9.684 1.393 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.090 7.049 0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.943 9.459 -1.025 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.392 7.942 -1.779 1.00 0.00 H new ATOM 683 N PHE A 44 -5.935 5.998 0.693 1.00 0.00 N ATOM 684 CA PHE A 44 -4.641 5.373 0.887 1.00 0.00 C ATOM 685 C PHE A 44 -4.684 3.929 0.389 1.00 0.00 C ATOM 686 O PHE A 44 -5.013 3.012 1.130 1.00 0.00 O ATOM 687 CB PHE A 44 -4.311 5.366 2.381 1.00 0.00 C ATOM 688 CG PHE A 44 -4.303 6.749 2.967 1.00 0.00 C ATOM 689 CD1 PHE A 44 -3.143 7.593 2.839 1.00 0.00 C ATOM 690 CD2 PHE A 44 -5.463 7.238 3.667 1.00 0.00 C ATOM 691 CE1 PHE A 44 -3.141 8.914 3.411 1.00 0.00 C ATOM 692 CE2 PHE A 44 -5.464 8.559 4.239 1.00 0.00 C ATOM 693 CZ PHE A 44 -4.302 9.397 4.110 1.00 0.00 C ATOM 0 H PHE A 44 -6.745 5.381 0.749 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.885 5.929 0.333 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.041 4.753 2.910 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.336 4.903 2.534 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.272 7.234 2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.337 6.610 3.763 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.268 9.543 3.315 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.336 8.920 4.764 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.301 10.389 4.538 1.00 0.00 H new ATOM 703 N SER A 45 -4.330 3.767 -0.899 1.00 0.00 N ATOM 704 CA SER A 45 -4.374 2.408 -1.403 1.00 0.00 C ATOM 705 C SER A 45 -3.023 1.727 -1.184 1.00 0.00 C ATOM 706 O SER A 45 -1.959 2.308 -1.362 1.00 0.00 O ATOM 707 CB SER A 45 -4.805 2.392 -2.869 1.00 0.00 C ATOM 708 OG SER A 45 -3.743 2.761 -3.713 1.00 0.00 O ATOM 0 H SER A 45 -4.037 4.495 -1.550 1.00 0.00 H new ATOM 0 HA SER A 45 -5.121 1.839 -0.849 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.157 1.396 -3.137 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.642 3.075 -3.013 1.00 0.00 H new ATOM 0 HG SER A 45 -4.044 2.741 -4.645 1.00 0.00 H new ATOM 714 N LEU A 46 -3.162 0.463 -0.743 1.00 0.00 N ATOM 715 CA LEU A 46 -1.986 -0.281 -0.339 1.00 0.00 C ATOM 716 C LEU A 46 -1.562 -1.221 -1.468 1.00 0.00 C ATOM 717 O LEU A 46 -2.316 -2.077 -1.912 1.00 0.00 O ATOM 718 CB LEU A 46 -2.310 -1.062 0.938 1.00 0.00 C ATOM 719 CG LEU A 46 -1.073 -1.624 1.645 1.00 0.00 C ATOM 720 CD1 LEU A 46 -1.430 -2.049 3.069 1.00 0.00 C ATOM 721 CD2 LEU A 46 -0.463 -2.803 0.885 1.00 0.00 C ATOM 0 H LEU A 46 -4.047 -0.037 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.158 0.398 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.846 -0.409 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.981 -1.884 0.690 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.326 -0.831 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.544 -2.447 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.798 -1.187 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.203 -2.817 3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.411 -3.169 1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.199 -3.602 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.166 -2.478 -0.112 1.00 0.00 H new ATOM 733 N SER A 47 -0.309 -0.995 -1.906 1.00 0.00 N ATOM 734 CA SER A 47 0.171 -1.776 -3.031 1.00 0.00 C ATOM 735 C SER A 47 1.320 -2.689 -2.591 1.00 0.00 C ATOM 736 O SER A 47 2.268 -2.264 -1.944 1.00 0.00 O ATOM 737 CB SER A 47 0.617 -0.832 -4.150 1.00 0.00 C ATOM 738 OG SER A 47 -0.452 -0.018 -4.564 1.00 0.00 O ATOM 0 H SER A 47 0.346 -0.317 -1.517 1.00 0.00 H new ATOM 0 HA SER A 47 -0.633 -2.409 -3.406 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.442 -0.210 -3.802 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.989 -1.411 -4.995 1.00 0.00 H new ATOM 0 HG SER A 47 -0.150 0.581 -5.279 1.00 0.00 H new ATOM 744 N VAL A 48 1.160 -3.969 -2.976 1.00 0.00 N ATOM 745 CA VAL A 48 2.164 -4.942 -2.576 1.00 0.00 C ATOM 746 C VAL A 48 2.662 -5.724 -3.795 1.00 0.00 C ATOM 747 O VAL A 48 1.916 -6.021 -4.721 1.00 0.00 O ATOM 748 CB VAL A 48 1.571 -5.922 -1.563 1.00 0.00 C ATOM 749 CG1 VAL A 48 2.601 -6.989 -1.182 1.00 0.00 C ATOM 750 CG2 VAL A 48 1.062 -5.187 -0.324 1.00 0.00 C ATOM 0 H VAL A 48 0.386 -4.330 -3.533 1.00 0.00 H new ATOM 0 HA VAL A 48 2.999 -4.407 -2.123 1.00 0.00 H new ATOM 0 HB VAL A 48 0.720 -6.419 -2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.162 -7.678 -0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.901 -7.540 -2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.475 -6.510 -0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.645 -5.907 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.888 -4.654 0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.290 -4.475 -0.615 1.00 0.00 H new ATOM 760 N LYS A 49 3.967 -6.052 -3.722 1.00 0.00 N ATOM 761 CA LYS A 49 4.503 -6.935 -4.742 1.00 0.00 C ATOM 762 C LYS A 49 3.961 -8.344 -4.482 1.00 0.00 C ATOM 763 O LYS A 49 4.478 -9.083 -3.654 1.00 0.00 O ATOM 764 CB LYS A 49 6.032 -6.945 -4.658 1.00 0.00 C ATOM 765 CG LYS A 49 6.677 -7.792 -5.759 1.00 0.00 C ATOM 766 CD LYS A 49 6.838 -7.028 -7.077 1.00 0.00 C ATOM 767 CE LYS A 49 7.354 -7.932 -8.196 1.00 0.00 C ATOM 768 NZ LYS A 49 6.405 -8.985 -8.536 1.00 0.00 N ATOM 0 H LYS A 49 4.624 -5.735 -3.009 1.00 0.00 H new ATOM 0 HA LYS A 49 4.208 -6.595 -5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.403 -5.922 -4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.336 -7.329 -3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.655 -8.135 -5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.069 -8.680 -5.931 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.879 -6.600 -7.369 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.528 -6.197 -6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.559 -7.330 -9.081 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.299 -8.382 -7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.508 -9.234 -9.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.593 -9.824 -7.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.436 -8.650 -8.359 1.00 0.00 H new ATOM 782 N PHE A 50 2.877 -8.656 -5.216 1.00 0.00 N ATOM 783 CA PHE A 50 2.189 -9.891 -4.868 1.00 0.00 C ATOM 784 C PHE A 50 2.727 -11.134 -5.609 1.00 0.00 C ATOM 785 O PHE A 50 2.246 -12.241 -5.399 1.00 0.00 O ATOM 786 CB PHE A 50 0.686 -9.737 -5.117 1.00 0.00 C ATOM 787 CG PHE A 50 0.351 -9.731 -6.580 1.00 0.00 C ATOM 788 CD1 PHE A 50 0.222 -10.978 -7.292 1.00 0.00 C ATOM 789 CD2 PHE A 50 0.152 -8.490 -7.282 1.00 0.00 C ATOM 790 CE1 PHE A 50 -0.107 -10.984 -8.693 1.00 0.00 C ATOM 791 CE2 PHE A 50 -0.179 -8.493 -8.683 1.00 0.00 C ATOM 792 CZ PHE A 50 -0.309 -9.741 -9.387 1.00 0.00 C ATOM 0 H PHE A 50 2.490 -8.115 -5.990 1.00 0.00 H new ATOM 0 HA PHE A 50 2.382 -10.064 -3.809 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.153 -10.552 -4.627 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.337 -8.810 -4.662 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.373 -11.912 -6.771 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.251 -7.552 -6.755 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.202 -11.921 -9.222 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.330 -7.560 -9.205 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.559 -9.744 -10.438 1.00 0.00 H new ATOM 802 N GLY A 51 3.725 -10.905 -6.483 1.00 0.00 N ATOM 803 CA GLY A 51 4.211 -12.042 -7.241 1.00 0.00 C ATOM 804 C GLY A 51 4.817 -11.589 -8.569 1.00 0.00 C ATOM 805 O GLY A 51 6.026 -11.483 -8.731 1.00 0.00 O ATOM 0 H GLY A 51 4.175 -10.008 -6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.959 -12.580 -6.659 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.392 -12.737 -7.428 1.00 0.00 H new ATOM 809 N ASN A 52 3.882 -11.352 -9.504 1.00 0.00 N ATOM 810 CA ASN A 52 4.311 -10.940 -10.830 1.00 0.00 C ATOM 811 C ASN A 52 3.972 -9.465 -11.103 1.00 0.00 C ATOM 812 O ASN A 52 4.656 -8.791 -11.865 1.00 0.00 O ATOM 813 CB ASN A 52 3.634 -11.825 -11.877 1.00 0.00 C ATOM 814 CG ASN A 52 4.126 -11.448 -13.275 1.00 0.00 C ATOM 815 OD1 ASN A 52 5.088 -11.999 -13.795 1.00 0.00 O ATOM 816 ND2 ASN A 52 3.389 -10.477 -13.847 1.00 0.00 N ATOM 0 H ASN A 52 2.874 -11.436 -9.369 1.00 0.00 H new ATOM 0 HA ASN A 52 5.394 -11.049 -10.887 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.853 -12.874 -11.676 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.552 -11.708 -11.819 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.618 -10.148 -14.785 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.601 -10.070 -13.342 1.00 0.00 H new ATOM 823 N ASP A 53 2.884 -9.005 -10.454 1.00 0.00 N ATOM 824 CA ASP A 53 2.468 -7.643 -10.729 1.00 0.00 C ATOM 825 C ASP A 53 2.174 -6.905 -9.417 1.00 0.00 C ATOM 826 O ASP A 53 2.390 -7.414 -8.323 1.00 0.00 O ATOM 827 CB ASP A 53 1.241 -7.667 -11.647 1.00 0.00 C ATOM 828 CG ASP A 53 0.955 -6.275 -12.215 1.00 0.00 C ATOM 829 OD1 ASP A 53 1.846 -5.701 -12.837 1.00 0.00 O ATOM 830 OD2 ASP A 53 -0.156 -5.781 -12.026 1.00 0.00 O ATOM 0 H ASP A 53 2.319 -9.525 -9.782 1.00 0.00 H new ATOM 0 HA ASP A 53 3.269 -7.105 -11.236 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.407 -8.370 -12.463 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.373 -8.022 -11.091 1.00 0.00 H new ATOM 835 N VAL A 54 1.679 -5.670 -9.612 1.00 0.00 N ATOM 836 CA VAL A 54 1.411 -4.825 -8.465 1.00 0.00 C ATOM 837 C VAL A 54 -0.080 -4.847 -8.124 1.00 0.00 C ATOM 838 O VAL A 54 -0.938 -4.507 -8.930 1.00 0.00 O ATOM 839 CB VAL A 54 1.854 -3.395 -8.775 1.00 0.00 C ATOM 840 CG1 VAL A 54 1.412 -2.434 -7.671 1.00 0.00 C ATOM 841 CG2 VAL A 54 3.369 -3.331 -8.979 1.00 0.00 C ATOM 0 H VAL A 54 1.467 -5.258 -10.521 1.00 0.00 H new ATOM 0 HA VAL A 54 1.968 -5.201 -7.607 1.00 0.00 H new ATOM 0 HB VAL A 54 1.372 -3.085 -9.702 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.739 -1.424 -7.916 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.325 -2.453 -7.586 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.856 -2.740 -6.723 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.664 -2.305 -9.199 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.873 -3.667 -8.073 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.652 -3.975 -9.811 1.00 0.00 H new ATOM 851 N GLN A 55 -0.316 -5.258 -6.865 1.00 0.00 N ATOM 852 CA GLN A 55 -1.676 -5.231 -6.362 1.00 0.00 C ATOM 853 C GLN A 55 -1.891 -3.914 -5.616 1.00 0.00 C ATOM 854 O GLN A 55 -0.951 -3.189 -5.320 1.00 0.00 O ATOM 855 CB GLN A 55 -1.904 -6.433 -5.443 1.00 0.00 C ATOM 856 CG GLN A 55 -3.331 -6.507 -4.903 1.00 0.00 C ATOM 857 CD GLN A 55 -3.526 -7.837 -4.172 1.00 0.00 C ATOM 858 OE1 GLN A 55 -2.453 -8.201 -3.448 1.00 0.00 O flip ATOM 859 NE2 GLN A 55 -4.562 -8.483 -4.268 1.00 0.00 N flip ATOM 0 H GLN A 55 0.391 -5.596 -6.212 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.392 -5.294 -7.181 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.680 -7.349 -5.989 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.207 -6.382 -4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.519 -5.675 -4.225 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.047 -6.420 -5.721 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.330 -8.133 -4.840 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.657 -9.371 -3.775 1.00 0.00 H new ATOM 868 N HIS A 56 -3.184 -3.649 -5.355 1.00 0.00 N ATOM 869 CA HIS A 56 -3.504 -2.396 -4.694 1.00 0.00 C ATOM 870 C HIS A 56 -4.767 -2.547 -3.841 1.00 0.00 C ATOM 871 O HIS A 56 -5.701 -3.259 -4.191 1.00 0.00 O ATOM 872 CB HIS A 56 -3.708 -1.303 -5.744 1.00 0.00 C ATOM 873 CG HIS A 56 -4.862 -1.670 -6.647 1.00 0.00 C ATOM 874 ND1 HIS A 56 -4.732 -2.390 -7.782 1.00 0.00 N ATOM 875 CD2 HIS A 56 -6.218 -1.342 -6.481 1.00 0.00 C ATOM 876 CE1 HIS A 56 -5.973 -2.498 -8.291 1.00 0.00 C ATOM 877 NE2 HIS A 56 -6.890 -1.876 -7.528 1.00 0.00 N ATOM 0 H HIS A 56 -3.974 -4.253 -5.580 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.678 -2.120 -4.039 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.906 -0.349 -5.255 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.799 -1.177 -6.333 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -6.645 -0.771 -5.670 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.206 -3.023 -9.206 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -7.893 -1.818 -7.704 1.00 0.00 H new ATOM 885 N PHE A 57 -4.729 -1.828 -2.703 1.00 0.00 N ATOM 886 CA PHE A 57 -5.903 -1.851 -1.849 1.00 0.00 C ATOM 887 C PHE A 57 -6.204 -0.458 -1.297 1.00 0.00 C ATOM 888 O PHE A 57 -5.763 -0.079 -0.219 1.00 0.00 O ATOM 889 CB PHE A 57 -5.702 -2.796 -0.668 1.00 0.00 C ATOM 890 CG PHE A 57 -5.523 -4.219 -1.105 1.00 0.00 C ATOM 891 CD1 PHE A 57 -6.672 -5.062 -1.310 1.00 0.00 C ATOM 892 CD2 PHE A 57 -4.202 -4.757 -1.314 1.00 0.00 C ATOM 893 CE1 PHE A 57 -6.506 -6.433 -1.716 1.00 0.00 C ATOM 894 CE2 PHE A 57 -4.032 -6.127 -1.721 1.00 0.00 C ATOM 895 CZ PHE A 57 -5.185 -6.964 -1.921 1.00 0.00 C ATOM 0 H PHE A 57 -3.945 -1.261 -2.378 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.736 -2.196 -2.462 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.829 -2.481 -0.097 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.561 -2.728 -0.000 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -7.664 -4.663 -1.158 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.336 -4.129 -1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -7.371 -7.062 -1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.040 -6.526 -1.876 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.058 -7.992 -2.225 1.00 0.00 H new ATOM 905 N LYS A 58 -7.023 0.245 -2.094 1.00 0.00 N ATOM 906 CA LYS A 58 -7.606 1.495 -1.663 1.00 0.00 C ATOM 907 C LYS A 58 -8.141 1.356 -0.234 1.00 0.00 C ATOM 908 O LYS A 58 -9.268 0.937 -0.005 1.00 0.00 O ATOM 909 CB LYS A 58 -8.717 1.852 -2.654 1.00 0.00 C ATOM 910 CG LYS A 58 -9.713 0.710 -2.858 1.00 0.00 C ATOM 911 CD LYS A 58 -10.467 0.828 -4.183 1.00 0.00 C ATOM 912 CE LYS A 58 -11.458 1.990 -4.202 1.00 0.00 C ATOM 913 NZ LYS A 58 -12.575 1.773 -3.291 1.00 0.00 N ATOM 0 H LYS A 58 -7.288 -0.042 -3.036 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.864 2.293 -1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.249 2.733 -2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.272 2.117 -3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.182 -0.242 -2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.428 0.703 -2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.749 0.956 -4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.002 -0.102 -4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.942 2.911 -3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.838 2.126 -5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.248 2.561 -3.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.053 0.882 -3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.221 1.720 -2.314 1.00 0.00 H new ATOM 927 N VAL A 59 -7.255 1.744 0.706 1.00 0.00 N ATOM 928 CA VAL A 59 -7.670 1.670 2.094 1.00 0.00 C ATOM 929 C VAL A 59 -8.552 2.873 2.411 1.00 0.00 C ATOM 930 O VAL A 59 -8.161 3.800 3.110 1.00 0.00 O ATOM 931 CB VAL A 59 -6.460 1.656 3.033 1.00 0.00 C ATOM 932 CG1 VAL A 59 -6.910 1.396 4.470 1.00 0.00 C ATOM 933 CG2 VAL A 59 -5.429 0.617 2.593 1.00 0.00 C ATOM 0 H VAL A 59 -6.310 2.088 0.534 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.225 0.744 2.245 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.983 2.635 2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.041 1.388 5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.596 2.182 4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.415 0.431 4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.582 0.631 3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.885 -0.373 2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.084 0.851 1.586 1.00 0.00 H new ATOM 943 N LEU A 60 -9.761 2.791 1.837 1.00 0.00 N ATOM 944 CA LEU A 60 -10.669 3.899 2.014 1.00 0.00 C ATOM 945 C LEU A 60 -11.196 3.892 3.442 1.00 0.00 C ATOM 946 O LEU A 60 -10.543 3.414 4.361 1.00 0.00 O ATOM 947 CB LEU A 60 -11.797 3.765 1.000 1.00 0.00 C ATOM 948 CG LEU A 60 -11.242 3.665 -0.422 1.00 0.00 C ATOM 949 CD1 LEU A 60 -12.335 3.890 -1.465 1.00 0.00 C ATOM 950 CD2 LEU A 60 -10.096 4.651 -0.636 1.00 0.00 C ATOM 0 H LEU A 60 -10.106 2.010 1.279 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.163 4.850 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.392 2.880 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.463 4.624 1.075 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.856 2.654 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.906 3.812 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.114 3.137 -1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.766 4.882 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.721 4.558 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.455 5.667 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.292 4.433 0.067 1.00 0.00 H new ATOM 962 N ARG A 61 -12.416 4.437 3.567 1.00 0.00 N ATOM 963 CA ARG A 61 -13.012 4.416 4.884 1.00 0.00 C ATOM 964 C ARG A 61 -14.541 4.530 4.768 1.00 0.00 C ATOM 965 O ARG A 61 -15.157 3.900 3.916 1.00 0.00 O ATOM 966 CB ARG A 61 -12.386 5.550 5.692 1.00 0.00 C ATOM 967 CG ARG A 61 -12.623 6.904 5.032 1.00 0.00 C ATOM 968 CD ARG A 61 -11.788 8.008 5.669 1.00 0.00 C ATOM 969 NE ARG A 61 -12.141 8.162 7.068 1.00 0.00 N ATOM 970 CZ ARG A 61 -13.234 8.882 7.385 1.00 0.00 C ATOM 971 NH1 ARG A 61 -13.970 9.440 6.427 1.00 0.00 N ATOM 972 NH2 ARG A 61 -13.580 9.034 8.659 1.00 0.00 N ATOM 0 H ARG A 61 -12.966 4.866 2.823 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.817 3.476 5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.806 5.556 6.698 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.315 5.377 5.795 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.384 6.836 3.971 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.680 7.162 5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.728 7.770 5.578 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.950 8.947 5.140 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.572 7.733 7.798 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.707 9.323 5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.797 9.985 6.671 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.018 8.606 9.395 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.407 9.579 8.901 1.00 0.00 H new ATOM 986 N ASP A 62 -15.093 5.374 5.664 1.00 0.00 N ATOM 987 CA ASP A 62 -16.508 5.713 5.633 1.00 0.00 C ATOM 988 C ASP A 62 -17.100 5.531 4.227 1.00 0.00 C ATOM 989 O ASP A 62 -16.416 5.717 3.227 1.00 0.00 O ATOM 990 CB ASP A 62 -16.682 7.164 6.087 1.00 0.00 C ATOM 991 CG ASP A 62 -16.119 7.337 7.499 1.00 0.00 C ATOM 992 OD1 ASP A 62 -15.740 6.337 8.106 1.00 0.00 O ATOM 993 OD2 ASP A 62 -16.066 8.470 7.975 1.00 0.00 O ATOM 0 H ASP A 62 -14.570 5.827 6.413 1.00 0.00 H new ATOM 0 HA ASP A 62 -17.041 5.041 6.306 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.170 7.834 5.397 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -17.738 7.436 6.071 1.00 0.00 H new ATOM 998 N GLY A 63 -18.394 5.146 4.194 1.00 0.00 N ATOM 999 CA GLY A 63 -19.209 5.081 5.396 1.00 0.00 C ATOM 1000 C GLY A 63 -19.279 3.659 5.962 1.00 0.00 C ATOM 1001 O GLY A 63 -19.898 2.760 5.405 1.00 0.00 O ATOM 0 H GLY A 63 -18.884 4.878 3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -18.798 5.752 6.150 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -20.216 5.432 5.171 1.00 0.00 H new ATOM 1005 N ALA A 64 -18.616 3.545 7.125 1.00 0.00 N ATOM 1006 CA ALA A 64 -18.604 2.311 7.879 1.00 0.00 C ATOM 1007 C ALA A 64 -18.194 2.630 9.324 1.00 0.00 C ATOM 1008 O ALA A 64 -18.816 2.194 10.286 1.00 0.00 O ATOM 1009 CB ALA A 64 -17.597 1.356 7.244 1.00 0.00 C ATOM 0 H ALA A 64 -18.084 4.303 7.552 1.00 0.00 H new ATOM 0 HA ALA A 64 -19.589 1.844 7.875 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -17.579 0.421 7.804 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -17.886 1.155 6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -16.606 1.809 7.261 1.00 0.00 H new ATOM 1015 N GLY A 65 -17.118 3.439 9.396 1.00 0.00 N ATOM 1016 CA GLY A 65 -16.678 3.925 10.687 1.00 0.00 C ATOM 1017 C GLY A 65 -15.330 4.639 10.556 1.00 0.00 C ATOM 1018 O GLY A 65 -15.108 5.703 11.118 1.00 0.00 O ATOM 0 H GLY A 65 -16.565 3.752 8.598 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -17.421 4.609 11.098 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.590 3.093 11.385 1.00 0.00 H new ATOM 1022 N LYS A 66 -14.453 3.965 9.784 1.00 0.00 N ATOM 1023 CA LYS A 66 -13.079 4.423 9.666 1.00 0.00 C ATOM 1024 C LYS A 66 -12.458 3.799 8.408 1.00 0.00 C ATOM 1025 O LYS A 66 -13.140 3.552 7.422 1.00 0.00 O ATOM 1026 CB LYS A 66 -12.279 4.023 10.914 1.00 0.00 C ATOM 1027 CG LYS A 66 -12.998 4.362 12.220 1.00 0.00 C ATOM 1028 CD LYS A 66 -12.134 4.097 13.455 1.00 0.00 C ATOM 1029 CE LYS A 66 -11.206 5.274 13.755 1.00 0.00 C ATOM 1030 NZ LYS A 66 -10.174 5.455 12.741 1.00 0.00 N ATOM 0 H LYS A 66 -14.676 3.125 9.251 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.057 5.510 9.583 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.080 2.952 10.883 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.313 4.527 10.896 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.293 5.411 12.206 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.914 3.775 12.289 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.776 3.910 14.316 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.541 3.196 13.298 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.797 6.186 13.831 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.733 5.119 14.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.275 5.703 13.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.057 4.572 12.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.454 6.220 12.094 1.00 0.00 H new ATOM 1044 N TYR A 67 -11.135 3.551 8.504 1.00 0.00 N ATOM 1045 CA TYR A 67 -10.454 3.004 7.345 1.00 0.00 C ATOM 1046 C TYR A 67 -10.879 1.550 7.129 1.00 0.00 C ATOM 1047 O TYR A 67 -11.034 0.782 8.070 1.00 0.00 O ATOM 1048 CB TYR A 67 -8.933 3.044 7.537 1.00 0.00 C ATOM 1049 CG TYR A 67 -8.394 4.426 7.782 1.00 0.00 C ATOM 1050 CD1 TYR A 67 -9.239 5.590 7.692 1.00 0.00 C ATOM 1051 CD2 TYR A 67 -7.002 4.591 8.111 1.00 0.00 C ATOM 1052 CE1 TYR A 67 -8.700 6.903 7.928 1.00 0.00 C ATOM 1053 CE2 TYR A 67 -6.458 5.901 8.349 1.00 0.00 C ATOM 1054 CZ TYR A 67 -7.309 7.057 8.257 1.00 0.00 C ATOM 1055 OH TYR A 67 -6.789 8.315 8.484 1.00 0.00 O ATOM 0 H TYR A 67 -10.557 3.714 9.328 1.00 0.00 H new ATOM 0 HA TYR A 67 -10.725 3.609 6.480 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.664 2.404 8.377 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.452 2.627 6.652 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.284 5.476 7.446 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.361 3.724 8.180 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.339 7.771 7.858 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.413 6.016 8.596 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.835 8.241 8.695 1.00 0.00 H new ATOM 1065 N PHE A 68 -11.042 1.218 5.835 1.00 0.00 N ATOM 1066 CA PHE A 68 -11.329 -0.173 5.541 1.00 0.00 C ATOM 1067 C PHE A 68 -10.924 -0.519 4.103 1.00 0.00 C ATOM 1068 O PHE A 68 -10.916 0.316 3.206 1.00 0.00 O ATOM 1069 CB PHE A 68 -12.804 -0.494 5.802 1.00 0.00 C ATOM 1070 CG PHE A 68 -13.738 0.004 4.732 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -13.393 1.116 3.882 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -15.010 -0.650 4.556 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -14.310 1.569 2.870 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -15.928 -0.201 3.544 1.00 0.00 C ATOM 1075 CZ PHE A 68 -15.577 0.909 2.701 1.00 0.00 C ATOM 0 H PHE A 68 -10.983 1.851 5.037 1.00 0.00 H new ATOM 0 HA PHE A 68 -10.735 -0.795 6.211 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.919 -1.574 5.896 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -13.097 -0.058 6.757 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.441 1.612 4.005 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -15.276 -1.484 5.189 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.047 2.404 2.238 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.879 -0.697 3.418 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.265 1.248 1.940 1.00 0.00 H new ATOM 1085 N LEU A 69 -10.582 -1.812 3.963 1.00 0.00 N ATOM 1086 CA LEU A 69 -10.211 -2.313 2.651 1.00 0.00 C ATOM 1087 C LEU A 69 -11.461 -2.778 1.896 1.00 0.00 C ATOM 1088 O LEU A 69 -11.635 -2.511 0.713 1.00 0.00 O ATOM 1089 CB LEU A 69 -9.240 -3.483 2.815 1.00 0.00 C ATOM 1090 CG LEU A 69 -7.913 -3.041 3.433 1.00 0.00 C ATOM 1091 CD1 LEU A 69 -7.372 -4.112 4.380 1.00 0.00 C ATOM 1092 CD2 LEU A 69 -6.884 -2.721 2.349 1.00 0.00 C ATOM 0 H LEU A 69 -10.558 -2.498 4.718 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.731 -1.517 2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.696 -4.248 3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.054 -3.939 1.843 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.098 -2.133 4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.428 -3.776 4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.091 -4.287 5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.211 -5.038 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.949 -2.409 2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.708 -3.608 1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.260 -1.917 1.717 1.00 0.00 H new ATOM 1104 N TRP A 70 -12.311 -3.489 2.660 1.00 0.00 N ATOM 1105 CA TRP A 70 -13.514 -4.011 2.038 1.00 0.00 C ATOM 1106 C TRP A 70 -14.658 -4.041 3.057 1.00 0.00 C ATOM 1107 O TRP A 70 -15.787 -3.659 2.772 1.00 0.00 O ATOM 1108 CB TRP A 70 -13.256 -5.426 1.517 1.00 0.00 C ATOM 1109 CG TRP A 70 -12.157 -5.397 0.482 1.00 0.00 C ATOM 1110 CD1 TRP A 70 -10.786 -5.526 0.730 1.00 0.00 C ATOM 1111 CD2 TRP A 70 -12.309 -5.230 -0.942 1.00 0.00 C ATOM 1112 NE1 TRP A 70 -10.092 -5.452 -0.435 1.00 0.00 N ATOM 1113 CE2 TRP A 70 -10.962 -5.270 -1.503 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -13.429 -5.054 -1.787 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -10.769 -5.133 -2.899 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -13.238 -4.913 -3.210 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -11.907 -4.952 -3.766 1.00 0.00 C ATOM 0 H TRP A 70 -12.189 -3.700 3.651 1.00 0.00 H new ATOM 0 HA TRP A 70 -13.791 -3.364 1.206 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -12.975 -6.081 2.341 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -14.168 -5.835 1.081 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -10.344 -5.664 1.706 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -9.077 -5.520 -0.515 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -14.424 -5.025 -1.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -9.772 -5.164 -3.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -14.091 -4.778 -3.859 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -11.763 -4.846 -4.831 1.00 0.00 H new ATOM 1128 N VAL A 71 -14.284 -4.526 4.255 1.00 0.00 N ATOM 1129 CA VAL A 71 -15.293 -4.659 5.288 1.00 0.00 C ATOM 1130 C VAL A 71 -14.745 -4.146 6.620 1.00 0.00 C ATOM 1131 O VAL A 71 -14.980 -3.015 7.026 1.00 0.00 O ATOM 1132 CB VAL A 71 -15.703 -6.127 5.417 1.00 0.00 C ATOM 1133 CG1 VAL A 71 -16.650 -6.324 6.601 1.00 0.00 C ATOM 1134 CG2 VAL A 71 -16.336 -6.631 4.120 1.00 0.00 C ATOM 0 H VAL A 71 -13.340 -4.815 4.512 1.00 0.00 H new ATOM 0 HA VAL A 71 -16.167 -4.067 5.018 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.804 -6.715 5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -16.928 -7.375 6.673 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -16.152 -6.016 7.520 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -17.546 -5.721 6.455 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -16.619 -7.677 4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -17.222 -6.038 3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -15.619 -6.538 3.305 1.00 0.00 H new ATOM 1144 N VAL A 72 -14.017 -5.068 7.274 1.00 0.00 N ATOM 1145 CA VAL A 72 -13.503 -4.734 8.588 1.00 0.00 C ATOM 1146 C VAL A 72 -12.708 -3.429 8.525 1.00 0.00 C ATOM 1147 O VAL A 72 -11.860 -3.224 7.665 1.00 0.00 O ATOM 1148 CB VAL A 72 -12.626 -5.877 9.099 1.00 0.00 C ATOM 1149 CG1 VAL A 72 -13.425 -7.180 9.155 1.00 0.00 C ATOM 1150 CG2 VAL A 72 -11.382 -6.038 8.225 1.00 0.00 C ATOM 0 H VAL A 72 -13.787 -5.999 6.927 1.00 0.00 H new ATOM 0 HA VAL A 72 -14.335 -4.594 9.278 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.298 -5.633 10.109 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.786 -7.983 9.521 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.274 -7.057 9.827 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.785 -7.429 8.157 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.772 -6.857 8.607 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -11.683 -6.257 7.201 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.802 -5.115 8.243 1.00 0.00 H new ATOM 1160 N LYS A 73 -13.057 -2.561 9.493 1.00 0.00 N ATOM 1161 CA LYS A 73 -12.411 -1.264 9.530 1.00 0.00 C ATOM 1162 C LYS A 73 -11.126 -1.342 10.353 1.00 0.00 C ATOM 1163 O LYS A 73 -10.788 -2.364 10.935 1.00 0.00 O ATOM 1164 CB LYS A 73 -13.356 -0.241 10.159 1.00 0.00 C ATOM 1165 CG LYS A 73 -14.641 -0.102 9.348 1.00 0.00 C ATOM 1166 CD LYS A 73 -15.685 0.749 10.071 1.00 0.00 C ATOM 1167 CE LYS A 73 -16.150 0.092 11.370 1.00 0.00 C ATOM 1168 NZ LYS A 73 -17.167 0.877 12.058 1.00 0.00 N ATOM 0 H LYS A 73 -13.750 -2.733 10.221 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.166 -0.960 8.512 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.597 -0.544 11.178 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.858 0.726 10.224 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.413 0.348 8.382 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.054 -1.091 9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.266 1.731 10.290 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.542 0.907 9.416 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.547 -0.899 11.151 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.294 -0.047 12.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.805 0.240 12.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.709 1.529 12.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.714 1.423 11.362 1.00 0.00 H new ATOM 1182 N PHE A 74 -10.444 -0.184 10.353 1.00 0.00 N ATOM 1183 CA PHE A 74 -9.200 -0.127 11.098 1.00 0.00 C ATOM 1184 C PHE A 74 -9.026 1.287 11.656 1.00 0.00 C ATOM 1185 O PHE A 74 -9.201 2.279 10.959 1.00 0.00 O ATOM 1186 CB PHE A 74 -7.984 -0.485 10.229 1.00 0.00 C ATOM 1187 CG PHE A 74 -8.207 -1.677 9.336 1.00 0.00 C ATOM 1188 CD1 PHE A 74 -8.383 -2.990 9.899 1.00 0.00 C ATOM 1189 CD2 PHE A 74 -8.253 -1.506 7.907 1.00 0.00 C ATOM 1190 CE1 PHE A 74 -8.598 -4.126 9.043 1.00 0.00 C ATOM 1191 CE2 PHE A 74 -8.469 -2.640 7.046 1.00 0.00 C ATOM 1192 CZ PHE A 74 -8.640 -3.950 7.616 1.00 0.00 C ATOM 0 H PHE A 74 -10.720 0.672 9.873 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.254 -0.861 11.902 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.723 0.375 9.613 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.131 -0.683 10.878 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.353 -3.123 10.970 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.125 -0.523 7.479 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.728 -5.109 9.471 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.503 -2.507 5.975 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.800 -4.802 6.972 1.00 0.00 H new ATOM 1202 N ASN A 75 -8.680 1.308 12.953 1.00 0.00 N ATOM 1203 CA ASN A 75 -8.506 2.604 13.580 1.00 0.00 C ATOM 1204 C ASN A 75 -7.097 3.135 13.300 1.00 0.00 C ATOM 1205 O ASN A 75 -6.387 3.578 14.194 1.00 0.00 O ATOM 1206 CB ASN A 75 -8.761 2.491 15.085 1.00 0.00 C ATOM 1207 CG ASN A 75 -8.358 3.775 15.823 1.00 0.00 C ATOM 1208 OD1 ASN A 75 -8.382 4.879 15.054 1.00 0.00 O flip ATOM 1209 ND2 ASN A 75 -8.039 3.758 17.006 1.00 0.00 N flip ATOM 0 H ASN A 75 -8.526 0.493 13.547 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.225 3.309 13.162 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.817 2.285 15.262 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.200 1.648 15.488 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.046 2.879 17.523 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.767 4.623 17.473 1.00 0.00 H new ATOM 1216 N SER A 76 -6.775 3.064 11.992 1.00 0.00 N ATOM 1217 CA SER A 76 -5.541 3.631 11.465 1.00 0.00 C ATOM 1218 C SER A 76 -4.941 2.671 10.437 1.00 0.00 C ATOM 1219 O SER A 76 -4.987 1.457 10.586 1.00 0.00 O ATOM 1220 CB SER A 76 -4.516 3.905 12.566 1.00 0.00 C ATOM 1221 OG SER A 76 -3.286 4.287 12.005 1.00 0.00 O ATOM 0 H SER A 76 -7.362 2.616 11.289 1.00 0.00 H new ATOM 0 HA SER A 76 -5.787 4.585 10.999 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.882 4.692 13.225 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.383 3.013 13.178 1.00 0.00 H new ATOM 0 HG SER A 76 -2.640 4.461 12.721 1.00 0.00 H new ATOM 1227 N LEU A 77 -4.373 3.300 9.391 1.00 0.00 N ATOM 1228 CA LEU A 77 -3.690 2.481 8.407 1.00 0.00 C ATOM 1229 C LEU A 77 -2.745 1.523 9.132 1.00 0.00 C ATOM 1230 O LEU A 77 -2.736 0.320 8.904 1.00 0.00 O ATOM 1231 CB LEU A 77 -2.884 3.363 7.451 1.00 0.00 C ATOM 1232 CG LEU A 77 -3.776 4.295 6.633 1.00 0.00 C ATOM 1233 CD1 LEU A 77 -2.927 5.257 5.804 1.00 0.00 C ATOM 1234 CD2 LEU A 77 -4.710 3.488 5.733 1.00 0.00 C ATOM 0 H LEU A 77 -4.376 4.306 9.221 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.426 1.920 7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.169 3.956 8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.307 2.731 6.776 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.385 4.882 7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.579 5.913 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.303 5.856 6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.292 4.689 5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.338 4.168 5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.119 2.875 5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.340 2.844 6.347 1.00 0.00 H new ATOM 1246 N ASN A 78 -1.967 2.147 10.032 1.00 0.00 N ATOM 1247 CA ASN A 78 -1.066 1.337 10.827 1.00 0.00 C ATOM 1248 C ASN A 78 -1.798 0.122 11.401 1.00 0.00 C ATOM 1249 O ASN A 78 -1.256 -0.974 11.472 1.00 0.00 O ATOM 1250 CB ASN A 78 -0.531 2.163 11.988 1.00 0.00 C ATOM 1251 CG ASN A 78 0.499 1.354 12.777 1.00 0.00 C ATOM 1252 OD1 ASN A 78 1.268 0.574 12.227 1.00 0.00 O ATOM 1253 ND2 ASN A 78 0.449 1.587 14.101 1.00 0.00 N ATOM 0 H ASN A 78 -1.949 3.151 10.213 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.251 1.002 10.185 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.075 3.079 11.613 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.351 2.459 12.642 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.084 1.096 14.730 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.224 2.255 14.476 1.00 0.00 H new ATOM 1260 N GLU A 79 -3.050 0.386 11.819 1.00 0.00 N ATOM 1261 CA GLU A 79 -3.793 -0.718 12.393 1.00 0.00 C ATOM 1262 C GLU A 79 -4.033 -1.815 11.336 1.00 0.00 C ATOM 1263 O GLU A 79 -4.014 -3.004 11.629 1.00 0.00 O ATOM 1264 CB GLU A 79 -5.122 -0.203 12.952 1.00 0.00 C ATOM 1265 CG GLU A 79 -5.788 -1.213 13.889 1.00 0.00 C ATOM 1266 CD GLU A 79 -6.026 -2.540 13.168 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -6.488 -2.514 12.028 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -5.744 -3.585 13.752 1.00 0.00 O ATOM 0 H GLU A 79 -3.528 1.286 11.772 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.214 -1.157 13.205 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.951 0.730 13.489 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.797 0.024 12.127 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.158 -1.376 14.764 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.736 -0.813 14.249 1.00 0.00 H new ATOM 1275 N LEU A 80 -4.246 -1.330 10.096 1.00 0.00 N ATOM 1276 CA LEU A 80 -4.408 -2.231 8.973 1.00 0.00 C ATOM 1277 C LEU A 80 -3.095 -2.988 8.758 1.00 0.00 C ATOM 1278 O LEU A 80 -2.997 -4.194 8.953 1.00 0.00 O ATOM 1279 CB LEU A 80 -4.770 -1.389 7.748 1.00 0.00 C ATOM 1280 CG LEU A 80 -5.233 -2.198 6.536 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -5.917 -1.262 5.541 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.077 -2.932 5.853 1.00 0.00 C ATOM 0 H LEU A 80 -4.306 -0.338 9.865 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.197 -2.961 9.152 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.559 -0.689 8.024 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.902 -0.795 7.462 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.933 -2.957 6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.250 -1.833 4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.777 -0.791 6.017 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.213 -0.494 5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.456 -3.492 4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.337 -2.208 5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.614 -3.619 6.561 1.00 0.00 H new ATOM 1294 N VAL A 81 -2.099 -2.179 8.356 1.00 0.00 N ATOM 1295 CA VAL A 81 -0.762 -2.721 8.191 1.00 0.00 C ATOM 1296 C VAL A 81 -0.434 -3.719 9.310 1.00 0.00 C ATOM 1297 O VAL A 81 0.199 -4.744 9.088 1.00 0.00 O ATOM 1298 CB VAL A 81 0.243 -1.566 8.207 1.00 0.00 C ATOM 1299 CG1 VAL A 81 1.676 -2.089 8.101 1.00 0.00 C ATOM 1300 CG2 VAL A 81 -0.058 -0.576 7.081 1.00 0.00 C ATOM 0 H VAL A 81 -2.198 -1.185 8.149 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.706 -3.253 7.241 1.00 0.00 H new ATOM 0 HB VAL A 81 0.145 -1.043 9.158 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.372 -1.250 8.114 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.886 -2.748 8.943 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.793 -2.643 7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.667 0.238 7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.007 -1.087 6.120 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.062 -0.172 7.210 1.00 0.00 H new ATOM 1310 N ASP A 82 -0.899 -3.352 10.519 1.00 0.00 N ATOM 1311 CA ASP A 82 -0.598 -4.199 11.659 1.00 0.00 C ATOM 1312 C ASP A 82 -1.500 -5.440 11.682 1.00 0.00 C ATOM 1313 O ASP A 82 -1.078 -6.527 12.059 1.00 0.00 O ATOM 1314 CB ASP A 82 -0.778 -3.399 12.950 1.00 0.00 C ATOM 1315 CG ASP A 82 -0.422 -4.272 14.156 1.00 0.00 C ATOM 1316 OD1 ASP A 82 -1.277 -5.037 14.600 1.00 0.00 O ATOM 1317 OD2 ASP A 82 0.703 -4.172 14.641 1.00 0.00 O ATOM 0 H ASP A 82 -1.454 -2.519 10.715 1.00 0.00 H new ATOM 0 HA ASP A 82 0.435 -4.536 11.575 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.143 -2.513 12.931 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.808 -3.052 13.033 1.00 0.00 H new ATOM 1322 N TYR A 83 -2.758 -5.216 11.260 1.00 0.00 N ATOM 1323 CA TYR A 83 -3.690 -6.331 11.275 1.00 0.00 C ATOM 1324 C TYR A 83 -3.328 -7.397 10.227 1.00 0.00 C ATOM 1325 O TYR A 83 -3.630 -8.574 10.393 1.00 0.00 O ATOM 1326 CB TYR A 83 -5.107 -5.814 11.022 1.00 0.00 C ATOM 1327 CG TYR A 83 -6.109 -6.928 11.084 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -6.426 -7.686 9.901 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -6.761 -7.248 12.327 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -7.387 -8.755 9.959 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -7.722 -8.318 12.389 1.00 0.00 C ATOM 1332 CZ TYR A 83 -8.035 -9.071 11.204 1.00 0.00 C ATOM 1333 OH TYR A 83 -8.955 -10.097 11.262 1.00 0.00 O ATOM 0 H TYR A 83 -3.127 -4.326 10.925 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.633 -6.803 12.256 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.357 -5.054 11.762 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.153 -5.334 10.045 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -5.940 -7.451 8.966 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.528 -6.683 13.217 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -7.622 -9.320 9.069 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.207 -8.555 13.324 1.00 0.00 H new ATOM 0 HH TYR A 83 -9.297 -10.178 12.177 1.00 0.00 H new ATOM 1343 N HIS A 84 -2.679 -6.930 9.142 1.00 0.00 N ATOM 1344 CA HIS A 84 -2.390 -7.863 8.068 1.00 0.00 C ATOM 1345 C HIS A 84 -0.896 -8.210 8.017 1.00 0.00 C ATOM 1346 O HIS A 84 -0.327 -8.408 6.950 1.00 0.00 O ATOM 1347 CB HIS A 84 -2.825 -7.256 6.732 1.00 0.00 C ATOM 1348 CG HIS A 84 -4.314 -7.009 6.749 1.00 0.00 C ATOM 1349 ND1 HIS A 84 -5.230 -7.885 6.280 1.00 0.00 N ATOM 1350 CD2 HIS A 84 -4.991 -5.877 7.231 1.00 0.00 C ATOM 1351 CE1 HIS A 84 -6.426 -7.302 6.473 1.00 0.00 C ATOM 1352 NE2 HIS A 84 -6.314 -6.090 7.045 1.00 0.00 N ATOM 0 H HIS A 84 -2.366 -5.970 9.000 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.944 -8.782 8.256 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.293 -6.321 6.555 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -2.567 -7.929 5.914 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -4.539 -4.999 7.669 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.368 -7.755 6.200 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.075 -5.457 7.290 1.00 0.00 H new ATOM 1360 N ARG A 85 -0.296 -8.275 9.222 1.00 0.00 N ATOM 1361 CA ARG A 85 1.110 -8.631 9.250 1.00 0.00 C ATOM 1362 C ARG A 85 1.311 -10.128 9.544 1.00 0.00 C ATOM 1363 O ARG A 85 2.299 -10.524 10.150 1.00 0.00 O ATOM 1364 CB ARG A 85 1.806 -7.808 10.331 1.00 0.00 C ATOM 1365 CG ARG A 85 1.373 -8.233 11.734 1.00 0.00 C ATOM 1366 CD ARG A 85 2.023 -7.371 12.817 1.00 0.00 C ATOM 1367 NE ARG A 85 3.467 -7.483 12.744 1.00 0.00 N ATOM 1368 CZ ARG A 85 4.204 -7.051 13.785 1.00 0.00 C ATOM 1369 NH1 ARG A 85 3.611 -6.533 14.858 1.00 0.00 N ATOM 1370 NH2 ARG A 85 5.530 -7.142 13.742 1.00 0.00 N ATOM 0 H ARG A 85 -0.737 -8.097 10.124 1.00 0.00 H new ATOM 0 HA ARG A 85 1.537 -8.421 8.269 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.886 -7.920 10.234 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.581 -6.752 10.185 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.288 -8.162 11.816 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.637 -9.278 11.895 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.725 -6.330 12.692 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.675 -7.686 13.801 1.00 0.00 H new ATOM 0 HE ARG A 85 3.916 -7.882 11.919 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.594 -6.462 14.894 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.173 -6.207 15.644 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.988 -7.539 12.921 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.089 -6.815 14.530 1.00 0.00 H new ATOM 1384 N SER A 86 0.323 -10.928 9.101 1.00 0.00 N ATOM 1385 CA SER A 86 0.420 -12.344 9.397 1.00 0.00 C ATOM 1386 C SER A 86 -0.259 -13.163 8.297 1.00 0.00 C ATOM 1387 O SER A 86 0.385 -13.809 7.479 1.00 0.00 O ATOM 1388 CB SER A 86 -0.227 -12.632 10.752 1.00 0.00 C ATOM 1389 OG SER A 86 -1.585 -12.269 10.743 1.00 0.00 O ATOM 0 H SER A 86 -0.497 -10.632 8.571 1.00 0.00 H new ATOM 0 HA SER A 86 1.471 -12.629 9.438 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.131 -13.692 10.988 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.296 -12.082 11.534 1.00 0.00 H new ATOM 0 HG SER A 86 -1.981 -12.463 11.618 1.00 0.00 H new ATOM 1395 N THR A 87 -1.602 -13.103 8.351 1.00 0.00 N ATOM 1396 CA THR A 87 -2.367 -13.898 7.408 1.00 0.00 C ATOM 1397 C THR A 87 -2.354 -13.256 6.016 1.00 0.00 C ATOM 1398 O THR A 87 -3.353 -13.244 5.307 1.00 0.00 O ATOM 1399 CB THR A 87 -3.805 -14.039 7.905 1.00 0.00 C ATOM 1400 OG1 THR A 87 -4.524 -14.874 7.032 1.00 0.00 O ATOM 1401 CG2 THR A 87 -4.508 -12.685 8.009 1.00 0.00 C ATOM 0 H THR A 87 -2.146 -12.540 9.005 1.00 0.00 H new ATOM 0 HA THR A 87 -1.909 -14.884 7.332 1.00 0.00 H new ATOM 0 HB THR A 87 -3.771 -14.475 8.903 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.158 -14.793 6.126 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.528 -12.831 8.366 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.967 -12.047 8.708 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.531 -12.211 7.028 1.00 0.00 H new ATOM 1409 N SER A 88 -1.164 -12.729 5.672 1.00 0.00 N ATOM 1410 CA SER A 88 -1.039 -12.145 4.351 1.00 0.00 C ATOM 1411 C SER A 88 -2.188 -11.154 4.121 1.00 0.00 C ATOM 1412 O SER A 88 -2.655 -10.491 5.039 1.00 0.00 O ATOM 1413 CB SER A 88 -1.047 -13.269 3.311 1.00 0.00 C ATOM 1414 OG SER A 88 -0.836 -12.767 2.017 1.00 0.00 O ATOM 0 H SER A 88 -0.330 -12.700 6.259 1.00 0.00 H new ATOM 0 HA SER A 88 -0.101 -11.597 4.259 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.272 -13.996 3.552 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.001 -13.795 3.348 1.00 0.00 H new ATOM 0 HG SER A 88 -1.292 -13.340 1.366 1.00 0.00 H new ATOM 1420 N VAL A 89 -2.616 -11.102 2.846 1.00 0.00 N ATOM 1421 CA VAL A 89 -3.709 -10.205 2.525 1.00 0.00 C ATOM 1422 C VAL A 89 -4.360 -10.636 1.206 1.00 0.00 C ATOM 1423 O VAL A 89 -4.633 -9.831 0.325 1.00 0.00 O ATOM 1424 CB VAL A 89 -3.185 -8.771 2.426 1.00 0.00 C ATOM 1425 CG1 VAL A 89 -2.183 -8.634 1.280 1.00 0.00 C ATOM 1426 CG2 VAL A 89 -4.335 -7.774 2.269 1.00 0.00 C ATOM 0 H VAL A 89 -2.238 -11.643 2.069 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.461 -10.247 3.313 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.667 -8.539 3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.825 -7.606 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.340 -9.304 1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.668 -8.895 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.933 -6.763 2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.895 -8.004 1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.998 -7.844 3.132 1.00 0.00 H new ATOM 1436 N SER A 90 -4.579 -11.962 1.136 1.00 0.00 N ATOM 1437 CA SER A 90 -5.179 -12.494 -0.073 1.00 0.00 C ATOM 1438 C SER A 90 -5.550 -13.967 0.142 1.00 0.00 C ATOM 1439 O SER A 90 -6.600 -14.290 0.684 1.00 0.00 O ATOM 1440 CB SER A 90 -4.214 -12.319 -1.249 1.00 0.00 C ATOM 1441 OG SER A 90 -4.791 -12.794 -2.438 1.00 0.00 O ATOM 0 H SER A 90 -4.360 -12.642 1.864 1.00 0.00 H new ATOM 0 HA SER A 90 -6.093 -11.948 -0.307 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.955 -11.266 -1.360 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.287 -12.856 -1.049 1.00 0.00 H new ATOM 0 HG SER A 90 -4.161 -12.672 -3.179 1.00 0.00 H new ATOM 1447 N ARG A 91 -4.629 -14.834 -0.321 1.00 0.00 N ATOM 1448 CA ARG A 91 -4.889 -16.259 -0.163 1.00 0.00 C ATOM 1449 C ARG A 91 -4.755 -16.750 1.297 1.00 0.00 C ATOM 1450 O ARG A 91 -4.869 -17.940 1.558 1.00 0.00 O ATOM 1451 CB ARG A 91 -3.929 -17.046 -1.053 1.00 0.00 C ATOM 1452 CG ARG A 91 -4.072 -16.658 -2.525 1.00 0.00 C ATOM 1453 CD ARG A 91 -3.161 -17.492 -3.427 1.00 0.00 C ATOM 1454 NE ARG A 91 -3.332 -17.093 -4.812 1.00 0.00 N ATOM 1455 CZ ARG A 91 -2.962 -17.950 -5.782 1.00 0.00 C ATOM 1456 NH1 ARG A 91 -2.451 -19.138 -5.470 1.00 0.00 N ATOM 1457 NH2 ARG A 91 -3.108 -17.607 -7.059 1.00 0.00 N ATOM 0 H ARG A 91 -3.752 -14.585 -0.779 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.925 -16.427 -0.457 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.904 -16.868 -0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.119 -18.113 -0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.109 -16.789 -2.836 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.834 -15.601 -2.646 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.121 -17.361 -3.128 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.394 -18.551 -3.314 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.725 -16.181 -5.046 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.338 -19.404 -4.492 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.172 -19.783 -6.209 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.499 -16.697 -7.301 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.829 -18.254 -7.796 1.00 0.00 H new ATOM 1471 N ASN A 92 -4.518 -15.785 2.214 1.00 0.00 N ATOM 1472 CA ASN A 92 -4.433 -16.074 3.638 1.00 0.00 C ATOM 1473 C ASN A 92 -2.971 -16.115 4.102 1.00 0.00 C ATOM 1474 O ASN A 92 -2.636 -15.668 5.192 1.00 0.00 O ATOM 1475 CB ASN A 92 -5.138 -17.383 4.005 1.00 0.00 C ATOM 1476 CG ASN A 92 -6.550 -17.406 3.415 1.00 0.00 C ATOM 1477 OD1 ASN A 92 -6.999 -18.397 2.851 1.00 0.00 O ATOM 1478 ND2 ASN A 92 -7.209 -16.245 3.582 1.00 0.00 N ATOM 0 H ASN A 92 -4.384 -14.802 1.979 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.948 -15.264 4.155 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.565 -18.231 3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.187 -17.487 5.089 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.159 -16.142 3.225 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.759 -15.468 4.065 1.00 0.00 H new ATOM 1485 N GLN A 93 -2.127 -16.672 3.213 1.00 0.00 N ATOM 1486 CA GLN A 93 -0.730 -16.758 3.594 1.00 0.00 C ATOM 1487 C GLN A 93 0.161 -16.781 2.350 1.00 0.00 C ATOM 1488 O GLN A 93 0.145 -17.716 1.559 1.00 0.00 O ATOM 1489 CB GLN A 93 -0.505 -18.012 4.442 1.00 0.00 C ATOM 1490 CG GLN A 93 -0.887 -19.294 3.700 1.00 0.00 C ATOM 1491 CD GLN A 93 -0.684 -20.503 4.615 1.00 0.00 C ATOM 1492 OE1 GLN A 93 -0.237 -20.388 5.750 1.00 0.00 O ATOM 1493 NE2 GLN A 93 -1.046 -21.664 4.041 1.00 0.00 N ATOM 0 H GLN A 93 -2.374 -17.041 2.295 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.465 -15.881 4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.543 -18.065 4.737 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.091 -17.938 5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.927 -19.242 3.377 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.279 -19.400 2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.410 -21.670 3.088 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.956 -22.538 4.558 1.00 0.00 H new ATOM 1502 N GLN A 94 0.938 -15.682 2.256 1.00 0.00 N ATOM 1503 CA GLN A 94 1.918 -15.528 1.186 1.00 0.00 C ATOM 1504 C GLN A 94 2.290 -14.047 0.954 1.00 0.00 C ATOM 1505 O GLN A 94 2.771 -13.686 -0.113 1.00 0.00 O ATOM 1506 CB GLN A 94 1.406 -16.118 -0.130 1.00 0.00 C ATOM 1507 CG GLN A 94 0.004 -15.620 -0.481 1.00 0.00 C ATOM 1508 CD GLN A 94 -0.435 -16.216 -1.819 1.00 0.00 C ATOM 1509 OE1 GLN A 94 -0.243 -17.395 -2.096 1.00 0.00 O ATOM 1510 NE2 GLN A 94 -1.026 -15.318 -2.627 1.00 0.00 N ATOM 0 H GLN A 94 0.899 -14.899 2.908 1.00 0.00 H new ATOM 0 HA GLN A 94 2.807 -16.071 1.507 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.094 -15.858 -0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.396 -17.206 -0.059 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.699 -15.903 0.302 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.002 -14.531 -0.537 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.146 -14.354 -2.316 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.354 -15.601 -3.550 1.00 0.00 H new ATOM 1519 N ILE A 95 2.052 -13.217 1.990 1.00 0.00 N ATOM 1520 CA ILE A 95 2.409 -11.819 1.834 1.00 0.00 C ATOM 1521 C ILE A 95 2.784 -11.219 3.190 1.00 0.00 C ATOM 1522 O ILE A 95 2.038 -11.295 4.159 1.00 0.00 O ATOM 1523 CB ILE A 95 1.237 -11.042 1.236 1.00 0.00 C ATOM 1524 CG1 ILE A 95 0.716 -11.733 -0.023 1.00 0.00 C ATOM 1525 CG2 ILE A 95 1.644 -9.599 0.937 1.00 0.00 C ATOM 1526 CD1 ILE A 95 -0.468 -10.982 -0.632 1.00 0.00 C ATOM 0 H ILE A 95 1.640 -13.480 2.885 1.00 0.00 H new ATOM 0 HA ILE A 95 3.265 -11.749 1.162 1.00 0.00 H new ATOM 0 HB ILE A 95 0.430 -11.022 1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.518 -11.804 -0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.415 -12.752 0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.796 -9.062 0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.957 -9.111 1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.470 -9.594 0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.810 -11.505 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.280 -10.934 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.159 -9.971 -0.899 1.00 0.00 H new ATOM 1538 N PHE A 96 3.982 -10.609 3.184 1.00 0.00 N ATOM 1539 CA PHE A 96 4.402 -9.919 4.388 1.00 0.00 C ATOM 1540 C PHE A 96 4.717 -8.462 4.042 1.00 0.00 C ATOM 1541 O PHE A 96 5.348 -8.163 3.037 1.00 0.00 O ATOM 1542 CB PHE A 96 5.628 -10.605 4.989 1.00 0.00 C ATOM 1543 CG PHE A 96 5.946 -10.048 6.345 1.00 0.00 C ATOM 1544 CD1 PHE A 96 6.643 -8.793 6.473 1.00 0.00 C ATOM 1545 CD2 PHE A 96 5.553 -10.766 7.530 1.00 0.00 C ATOM 1546 CE1 PHE A 96 6.941 -8.259 7.777 1.00 0.00 C ATOM 1547 CE2 PHE A 96 5.851 -10.234 8.834 1.00 0.00 C ATOM 1548 CZ PHE A 96 6.544 -8.980 8.956 1.00 0.00 C ATOM 0 H PHE A 96 4.635 -10.584 2.401 1.00 0.00 H new ATOM 0 HA PHE A 96 3.601 -9.949 5.127 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.448 -11.677 5.066 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.484 -10.472 4.328 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.943 -8.251 5.588 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.032 -11.708 7.440 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.462 -7.318 7.869 1.00 0.00 H new ATOM 0 HE2 PHE A 96 5.554 -10.776 9.720 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.766 -8.579 9.934 1.00 0.00 H new ATOM 1558 N LEU A 97 4.219 -7.580 4.926 1.00 0.00 N ATOM 1559 CA LEU A 97 4.372 -6.173 4.611 1.00 0.00 C ATOM 1560 C LEU A 97 5.687 -5.642 5.186 1.00 0.00 C ATOM 1561 O LEU A 97 5.780 -5.249 6.342 1.00 0.00 O ATOM 1562 CB LEU A 97 3.183 -5.389 5.171 1.00 0.00 C ATOM 1563 CG LEU A 97 1.856 -5.839 4.555 1.00 0.00 C ATOM 1564 CD1 LEU A 97 0.679 -5.101 5.196 1.00 0.00 C ATOM 1565 CD2 LEU A 97 1.855 -5.623 3.041 1.00 0.00 C ATOM 0 H LEU A 97 3.742 -7.803 5.800 1.00 0.00 H new ATOM 0 HA LEU A 97 4.398 -6.048 3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.142 -5.517 6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.328 -4.326 4.981 1.00 0.00 H new ATOM 0 HG LEU A 97 1.743 -6.905 4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.253 -5.438 4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.657 -5.310 6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.793 -4.028 5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.901 -5.951 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.000 -4.565 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.663 -6.200 2.591 1.00 0.00 H new ATOM 1577 N ARG A 98 6.686 -5.640 4.282 1.00 0.00 N ATOM 1578 CA ARG A 98 7.967 -5.076 4.662 1.00 0.00 C ATOM 1579 C ARG A 98 8.687 -4.582 3.395 1.00 0.00 C ATOM 1580 O ARG A 98 8.080 -3.992 2.508 1.00 0.00 O ATOM 1581 CB ARG A 98 8.776 -6.124 5.436 1.00 0.00 C ATOM 1582 CG ARG A 98 9.895 -5.503 6.279 1.00 0.00 C ATOM 1583 CD ARG A 98 10.692 -6.564 7.040 1.00 0.00 C ATOM 1584 NE ARG A 98 9.826 -7.269 7.966 1.00 0.00 N ATOM 1585 CZ ARG A 98 9.574 -6.713 9.166 1.00 0.00 C ATOM 1586 NH1 ARG A 98 10.113 -5.540 9.491 1.00 0.00 N ATOM 1587 NH2 ARG A 98 8.782 -7.338 10.033 1.00 0.00 N ATOM 0 H ARG A 98 6.626 -6.006 3.332 1.00 0.00 H new ATOM 0 HA ARG A 98 7.839 -4.220 5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.106 -6.686 6.086 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.209 -6.835 4.732 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.567 -4.939 5.632 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.465 -4.794 6.987 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.137 -7.269 6.338 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.512 -6.094 7.583 1.00 0.00 H new ATOM 0 HE ARG A 98 9.416 -8.168 7.713 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.721 -5.057 8.829 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.918 -5.124 10.402 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.367 -8.237 9.788 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.590 -6.918 10.943 1.00 0.00 H new ATOM 1601 N ASP A 99 10.002 -4.874 3.364 1.00 0.00 N ATOM 1602 CA ASP A 99 10.793 -4.532 2.197 1.00 0.00 C ATOM 1603 C ASP A 99 10.447 -3.117 1.716 1.00 0.00 C ATOM 1604 O ASP A 99 9.730 -2.368 2.368 1.00 0.00 O ATOM 1605 CB ASP A 99 10.530 -5.577 1.107 1.00 0.00 C ATOM 1606 CG ASP A 99 11.567 -5.473 -0.015 1.00 0.00 C ATOM 1607 OD1 ASP A 99 12.685 -5.039 0.256 1.00 0.00 O ATOM 1608 OD2 ASP A 99 11.240 -5.821 -1.149 1.00 0.00 O ATOM 0 H ASP A 99 10.515 -5.333 4.117 1.00 0.00 H new ATOM 0 HA ASP A 99 11.854 -4.537 2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.558 -6.576 1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.530 -5.436 0.697 1.00 0.00 H new ATOM 1613 N ILE A 100 11.002 -2.817 0.526 1.00 0.00 N ATOM 1614 CA ILE A 100 10.680 -1.575 -0.148 1.00 0.00 C ATOM 1615 C ILE A 100 11.575 -0.420 0.302 1.00 0.00 C ATOM 1616 O ILE A 100 11.986 0.424 -0.484 1.00 0.00 O ATOM 1617 CB ILE A 100 9.189 -1.269 -0.007 1.00 0.00 C ATOM 1618 CG1 ILE A 100 8.602 -0.980 -1.386 1.00 0.00 C ATOM 1619 CG2 ILE A 100 8.924 -0.111 0.955 1.00 0.00 C ATOM 1620 CD1 ILE A 100 7.118 -0.657 -1.325 1.00 0.00 C ATOM 0 H ILE A 100 11.663 -3.415 0.030 1.00 0.00 H new ATOM 0 HA ILE A 100 10.889 -1.698 -1.211 1.00 0.00 H new ATOM 0 HB ILE A 100 8.700 -2.144 0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.135 -0.143 -1.837 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.757 -1.843 -2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.851 0.068 1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.312 -0.362 1.942 1.00 0.00 H new ATOM 0 HG23 ILE A 100 9.420 0.788 0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.747 -0.459 -2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.579 -1.503 -0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.963 0.223 -0.701 1.00 0.00 H new ATOM 1632 N GLU A 101 11.842 -0.446 1.612 1.00 0.00 N ATOM 1633 CA GLU A 101 12.663 0.618 2.154 1.00 0.00 C ATOM 1634 C GLU A 101 13.458 0.104 3.358 1.00 0.00 C ATOM 1635 O GLU A 101 13.600 -1.092 3.579 1.00 0.00 O ATOM 1636 CB GLU A 101 11.757 1.796 2.511 1.00 0.00 C ATOM 1637 CG GLU A 101 11.398 2.626 1.278 1.00 0.00 C ATOM 1638 CD GLU A 101 12.667 3.240 0.683 1.00 0.00 C ATOM 1639 OE1 GLU A 101 13.126 4.257 1.201 1.00 0.00 O ATOM 1640 OE2 GLU A 101 13.178 2.697 -0.296 1.00 0.00 O ATOM 0 H GLU A 101 11.520 -1.151 2.275 1.00 0.00 H new ATOM 0 HA GLU A 101 13.392 0.959 1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.845 1.425 2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.256 2.430 3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.904 1.998 0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.694 3.413 1.550 1.00 0.00 H new ATOM 1647 N GLN A 102 13.967 1.098 4.110 1.00 0.00 N ATOM 1648 CA GLN A 102 14.769 0.776 5.273 1.00 0.00 C ATOM 1649 C GLN A 102 15.685 -0.414 4.982 1.00 0.00 C ATOM 1650 O GLN A 102 15.322 -1.571 5.155 1.00 0.00 O ATOM 1651 CB GLN A 102 13.847 0.457 6.446 1.00 0.00 C ATOM 1652 CG GLN A 102 14.637 0.051 7.692 1.00 0.00 C ATOM 1653 CD GLN A 102 13.675 -0.302 8.827 1.00 0.00 C ATOM 1654 OE1 GLN A 102 14.294 -0.472 10.008 1.00 0.00 O flip ATOM 1655 NE2 GLN A 102 12.468 -0.406 8.642 1.00 0.00 N flip ATOM 0 H GLN A 102 13.836 2.094 3.931 1.00 0.00 H new ATOM 0 HA GLN A 102 15.395 1.632 5.524 1.00 0.00 H new ATOM 0 HB2 GLN A 102 13.232 1.328 6.673 1.00 0.00 H new ATOM 0 HB3 GLN A 102 13.168 -0.349 6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 102 15.275 -0.803 7.466 1.00 0.00 H new ATOM 0 HG3 GLN A 102 15.292 0.866 7.999 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.080 -0.260 7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 102 11.851 -0.639 9.420 1.00 0.00 H new ATOM 1664 N VAL A 103 16.904 -0.039 4.556 1.00 0.00 N ATOM 1665 CA VAL A 103 17.924 -1.059 4.374 1.00 0.00 C ATOM 1666 C VAL A 103 18.975 -0.941 5.487 1.00 0.00 C ATOM 1667 O VAL A 103 19.275 -1.900 6.187 1.00 0.00 O ATOM 1668 CB VAL A 103 18.582 -1.005 2.985 1.00 0.00 C ATOM 1669 CG1 VAL A 103 18.687 -2.413 2.399 1.00 0.00 C ATOM 1670 CG2 VAL A 103 17.837 -0.080 2.016 1.00 0.00 C ATOM 0 H VAL A 103 17.189 0.917 4.343 1.00 0.00 H new ATOM 0 HA VAL A 103 17.433 -2.030 4.437 1.00 0.00 H new ATOM 0 HB VAL A 103 19.580 -0.588 3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 103 19.154 -2.364 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 103 19.292 -3.037 3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 103 17.690 -2.844 2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 103 18.344 -0.079 1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.814 -0.435 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 103 17.822 0.933 2.419 1.00 0.00 H new ATOM 1680 N PRO A 104 19.515 0.295 5.620 1.00 0.00 N ATOM 1681 CA PRO A 104 20.508 0.611 6.638 1.00 0.00 C ATOM 1682 C PRO A 104 20.006 0.337 8.057 1.00 0.00 C ATOM 1683 O PRO A 104 19.069 0.959 8.543 1.00 0.00 O ATOM 1684 CB PRO A 104 20.771 2.110 6.448 1.00 0.00 C ATOM 1685 CG PRO A 104 20.307 2.418 5.022 1.00 0.00 C ATOM 1686 CD PRO A 104 19.183 1.425 4.767 1.00 0.00 C ATOM 0 HA PRO A 104 21.399 -0.007 6.527 1.00 0.00 H new ATOM 0 HB2 PRO A 104 20.220 2.703 7.179 1.00 0.00 H new ATOM 0 HB3 PRO A 104 21.827 2.345 6.578 1.00 0.00 H new ATOM 0 HG2 PRO A 104 19.957 3.446 4.931 1.00 0.00 H new ATOM 0 HG3 PRO A 104 21.118 2.293 4.305 1.00 0.00 H new ATOM 0 HD2 PRO A 104 18.211 1.847 5.023 1.00 0.00 H new ATOM 0 HD3 PRO A 104 19.137 1.134 3.718 1.00 0.00 H new ATOM 1694 N GLN A 105 20.701 -0.630 8.682 1.00 0.00 N ATOM 1695 CA GLN A 105 20.340 -0.977 10.044 1.00 0.00 C ATOM 1696 C GLN A 105 21.522 -1.687 10.713 1.00 0.00 C ATOM 1697 O GLN A 105 22.375 -1.071 11.340 1.00 0.00 O ATOM 1698 CB GLN A 105 19.096 -1.870 10.054 1.00 0.00 C ATOM 1699 CG GLN A 105 17.903 -1.223 9.353 1.00 0.00 C ATOM 1700 CD GLN A 105 16.665 -2.104 9.520 1.00 0.00 C ATOM 1701 OE1 GLN A 105 16.077 -2.196 10.591 1.00 0.00 O ATOM 1702 NE2 GLN A 105 16.311 -2.738 8.387 1.00 0.00 N ATOM 0 H GLN A 105 21.477 -1.156 8.280 1.00 0.00 H new ATOM 0 HA GLN A 105 20.107 -0.070 10.601 1.00 0.00 H new ATOM 0 HB2 GLN A 105 19.329 -2.817 9.567 1.00 0.00 H new ATOM 0 HB3 GLN A 105 18.826 -2.100 11.085 1.00 0.00 H new ATOM 0 HG2 GLN A 105 17.716 -0.234 9.771 1.00 0.00 H new ATOM 0 HG3 GLN A 105 18.122 -1.085 8.294 1.00 0.00 H new ATOM 0 HE21 GLN A 105 16.858 -2.605 7.536 1.00 0.00 H new ATOM 0 HE22 GLN A 105 15.496 -3.351 8.379 1.00 0.00 H new ATOM 1711 N GLN A 106 21.507 -3.022 10.536 1.00 0.00 N ATOM 1712 CA GLN A 106 22.585 -3.816 11.094 1.00 0.00 C ATOM 1713 C GLN A 106 23.393 -4.528 9.994 1.00 0.00 C ATOM 1714 O GLN A 106 24.618 -4.537 10.035 1.00 0.00 O ATOM 1715 CB GLN A 106 22.049 -4.816 12.122 1.00 0.00 C ATOM 1716 CG GLN A 106 21.184 -4.133 13.181 1.00 0.00 C ATOM 1717 CD GLN A 106 20.591 -5.191 14.113 1.00 0.00 C ATOM 1718 OE1 GLN A 106 20.020 -6.210 13.445 1.00 0.00 O flip ATOM 1719 NE2 GLN A 106 20.653 -5.092 15.332 1.00 0.00 N flip ATOM 0 H GLN A 106 20.789 -3.543 10.032 1.00 0.00 H new ATOM 0 HA GLN A 106 23.265 -3.136 11.606 1.00 0.00 H new ATOM 0 HB2 GLN A 106 21.464 -5.582 11.613 1.00 0.00 H new ATOM 0 HB3 GLN A 106 22.884 -5.322 12.606 1.00 0.00 H new ATOM 0 HG2 GLN A 106 21.782 -3.423 13.753 1.00 0.00 H new ATOM 0 HG3 GLN A 106 20.386 -3.565 12.703 1.00 0.00 H new ATOM 0 HE21 GLN A 106 21.106 -4.282 15.756 1.00 0.00 H new ATOM 0 HE22 GLN A 106 20.252 -5.819 15.924 1.00 0.00 H new ATOM 1728 N PRO A 107 22.682 -5.128 9.002 1.00 0.00 N ATOM 1729 CA PRO A 107 23.357 -5.846 7.929 1.00 0.00 C ATOM 1730 C PRO A 107 24.441 -5.010 7.246 1.00 0.00 C ATOM 1731 O PRO A 107 24.180 -3.954 6.685 1.00 0.00 O ATOM 1732 CB PRO A 107 22.240 -6.194 6.942 1.00 0.00 C ATOM 1733 CG PRO A 107 20.958 -6.170 7.777 1.00 0.00 C ATOM 1734 CD PRO A 107 21.227 -5.141 8.876 1.00 0.00 C ATOM 0 HA PRO A 107 23.880 -6.722 8.312 1.00 0.00 H new ATOM 0 HB2 PRO A 107 22.194 -5.472 6.126 1.00 0.00 H new ATOM 0 HB3 PRO A 107 22.401 -7.174 6.492 1.00 0.00 H new ATOM 0 HG2 PRO A 107 20.097 -5.886 7.172 1.00 0.00 H new ATOM 0 HG3 PRO A 107 20.742 -7.152 8.199 1.00 0.00 H new ATOM 0 HD2 PRO A 107 20.841 -4.158 8.605 1.00 0.00 H new ATOM 0 HD3 PRO A 107 20.748 -5.424 9.813 1.00 0.00 H new ATOM 1742 N THR A 108 25.661 -5.570 7.348 1.00 0.00 N ATOM 1743 CA THR A 108 26.843 -4.922 6.802 1.00 0.00 C ATOM 1744 C THR A 108 27.546 -4.129 7.906 1.00 0.00 C ATOM 1745 O THR A 108 27.523 -2.905 7.939 1.00 0.00 O ATOM 1746 CB THR A 108 26.498 -3.999 5.631 1.00 0.00 C ATOM 1747 OG1 THR A 108 25.596 -4.648 4.769 1.00 0.00 O ATOM 1748 CG2 THR A 108 27.748 -3.602 4.847 1.00 0.00 C ATOM 0 H THR A 108 25.842 -6.465 7.803 1.00 0.00 H new ATOM 0 HA THR A 108 27.507 -5.698 6.421 1.00 0.00 H new ATOM 0 HB THR A 108 26.046 -3.094 6.037 1.00 0.00 H new ATOM 0 HG1 THR A 108 24.684 -4.349 4.965 1.00 0.00 H new ATOM 0 HG21 THR A 108 27.467 -2.947 4.023 1.00 0.00 H new ATOM 0 HG22 THR A 108 28.441 -3.079 5.507 1.00 0.00 H new ATOM 0 HG23 THR A 108 28.229 -4.497 4.452 1.00 0.00 H new ATOM 1756 N TYR A 109 28.168 -4.917 8.801 1.00 0.00 N ATOM 1757 CA TYR A 109 28.855 -4.280 9.908 1.00 0.00 C ATOM 1758 C TYR A 109 30.155 -3.645 9.411 1.00 0.00 C ATOM 1759 O TYR A 109 31.060 -4.313 8.927 1.00 0.00 O ATOM 1760 CB TYR A 109 29.153 -5.316 10.993 1.00 0.00 C ATOM 1761 CG TYR A 109 29.865 -4.699 12.160 1.00 0.00 C ATOM 1762 CD1 TYR A 109 29.577 -3.344 12.555 1.00 0.00 C ATOM 1763 CD2 TYR A 109 30.842 -5.460 12.896 1.00 0.00 C ATOM 1764 CE1 TYR A 109 30.261 -2.753 13.676 1.00 0.00 C ATOM 1765 CE2 TYR A 109 31.526 -4.873 14.017 1.00 0.00 C ATOM 1766 CZ TYR A 109 31.235 -3.518 14.407 1.00 0.00 C ATOM 1767 OH TYR A 109 31.891 -2.954 15.481 1.00 0.00 O ATOM 0 H TYR A 109 28.204 -5.936 8.776 1.00 0.00 H new ATOM 0 HA TYR A 109 28.220 -3.500 10.329 1.00 0.00 H new ATOM 0 HB2 TYR A 109 28.221 -5.768 11.332 1.00 0.00 H new ATOM 0 HB3 TYR A 109 29.763 -6.117 10.575 1.00 0.00 H new ATOM 0 HD1 TYR A 109 28.845 -2.769 12.008 1.00 0.00 H new ATOM 0 HD2 TYR A 109 31.062 -6.476 12.605 1.00 0.00 H new ATOM 0 HE1 TYR A 109 30.043 -1.736 13.967 1.00 0.00 H new ATOM 0 HE2 TYR A 109 32.257 -5.448 14.566 1.00 0.00 H new ATOM 0 HH TYR A 109 32.515 -3.606 15.863 1.00 0.00 H new ATOM 1777 N VAL A 110 30.178 -2.309 9.569 1.00 0.00 N ATOM 1778 CA VAL A 110 31.364 -1.593 9.142 1.00 0.00 C ATOM 1779 C VAL A 110 32.484 -1.798 10.164 1.00 0.00 C ATOM 1780 O VAL A 110 32.337 -1.527 11.350 1.00 0.00 O ATOM 1781 CB VAL A 110 31.043 -0.105 8.987 1.00 0.00 C ATOM 1782 CG1 VAL A 110 29.958 0.105 7.930 1.00 0.00 C ATOM 1783 CG2 VAL A 110 30.621 0.506 10.324 1.00 0.00 C ATOM 0 H VAL A 110 29.429 -1.742 9.967 1.00 0.00 H new ATOM 0 HA VAL A 110 31.695 -1.979 8.178 1.00 0.00 H new ATOM 0 HB VAL A 110 31.948 0.403 8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 110 29.744 1.170 7.835 1.00 0.00 H new ATOM 0 HG12 VAL A 110 30.304 -0.283 6.972 1.00 0.00 H new ATOM 0 HG13 VAL A 110 29.052 -0.422 8.229 1.00 0.00 H new ATOM 0 HG21 VAL A 110 30.398 1.564 10.186 1.00 0.00 H new ATOM 0 HG22 VAL A 110 29.733 -0.006 10.694 1.00 0.00 H new ATOM 0 HG23 VAL A 110 31.430 0.396 11.046 1.00 0.00 H new ATOM 1793 N GLN A 111 33.606 -2.301 9.620 1.00 0.00 N ATOM 1794 CA GLN A 111 34.735 -2.550 10.496 1.00 0.00 C ATOM 1795 C GLN A 111 35.013 -1.309 11.346 1.00 0.00 C ATOM 1796 O GLN A 111 35.310 -0.233 10.843 1.00 0.00 O ATOM 1797 CB GLN A 111 35.967 -2.907 9.662 1.00 0.00 C ATOM 1798 CG GLN A 111 37.181 -3.211 10.540 1.00 0.00 C ATOM 1799 CD GLN A 111 38.381 -3.567 9.662 1.00 0.00 C ATOM 1800 OE1 GLN A 111 39.221 -2.734 9.343 1.00 0.00 O ATOM 1801 NE2 GLN A 111 38.404 -4.863 9.303 1.00 0.00 N ATOM 0 H GLN A 111 33.742 -2.528 8.635 1.00 0.00 H new ATOM 0 HA GLN A 111 34.503 -3.385 11.157 1.00 0.00 H new ATOM 0 HB2 GLN A 111 35.745 -3.772 9.038 1.00 0.00 H new ATOM 0 HB3 GLN A 111 36.202 -2.082 8.990 1.00 0.00 H new ATOM 0 HG2 GLN A 111 37.417 -2.347 11.161 1.00 0.00 H new ATOM 0 HG3 GLN A 111 36.955 -4.037 11.215 1.00 0.00 H new ATOM 0 HE21 GLN A 111 37.663 -5.491 9.613 1.00 0.00 H new ATOM 0 HE22 GLN A 111 39.163 -5.218 8.721 1.00 0.00 H new ATOM 1810 N ALA A 112 34.892 -1.539 12.667 1.00 0.00 N ATOM 1811 CA ALA A 112 35.127 -0.434 13.575 1.00 0.00 C ATOM 1812 C ALA A 112 35.640 -0.970 14.914 1.00 0.00 C ATOM 1813 O ALA A 112 34.818 -1.303 15.767 1.00 0.00 O ATOM 1814 CB ALA A 112 33.830 0.349 13.782 1.00 0.00 C ATOM 1815 OXT ALA A 112 36.855 -1.043 15.091 1.00 0.00 O ATOM 0 H ALA A 112 34.647 -2.430 13.098 1.00 0.00 H new ATOM 0 HA ALA A 112 35.877 0.233 13.149 1.00 0.00 H new ATOM 0 HB1 ALA A 112 34.011 1.179 14.465 1.00 0.00 H new ATOM 0 HB2 ALA A 112 33.482 0.737 12.824 1.00 0.00 H new ATOM 0 HB3 ALA A 112 33.071 -0.310 14.204 1.00 0.00 H new TER 1821 ALA A 112