USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=28 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 45 SER OG : rot 22:sc= 0.0803 USER MOD Set 1.2: A 56 HIS : no HE2:sc= -1.17 K(o=-1.1,f=-3.7!) 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 7 HIS : no HE2:sc= -4.21 K(o=-4.2,f=-11!) USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0907) USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0547) USER MOD Single : A 22 MET CE :methyl 150:sc= -4.09 (180deg=-4.81!) USER MOD Single : A 24 SER OG : rot -53:sc= -0.402! USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.125) USER MOD Single : A 26 GLN : amide:sc= -2.86! C(o=-2.9!,f=-4.3!) USER MOD Single : A 28 HIS : no HD1:sc= -3.85! C(o=-3.9!,f=-6.6!) USER MOD Single : A 37 SER OG : rot 180:sc= 0.248! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -170:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 133:sc= -7.69! (180deg=-9.45!) USER MOD Single : A 52 ASN : amide:sc= -0.0198 K(o=-0.02,f=-1.6!) USER MOD Single : A 55 GLN :FLIP amide:sc= -3.86! C(o=-5.9!,f=-3.9!) USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0585) USER MOD Single : A 66 LYS NZ :NH3+ 156:sc= -11.9! (180deg=-12.6!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -125:sc=-0.00397 (180deg=-0.643) USER MOD Single : A 75 ASN :FLIP amide:sc= -1.02 F(o=-7.7!,f=-1) USER MOD Single : A 76 SER OG : rot -20:sc= -0.0257 USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -3.37 K(o=-3.4,f=-6.4!) USER MOD Single : A 86 SER OG : rot 180:sc= 0.0259! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -130:sc= -2.1! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN :FLIP amide:sc= -4.44! C(o=-5.4!,f=-4.4!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= -3.07! C(o=-3.1!,f=-4.4!) USER MOD Single : A 102 GLN : amide:sc= -1.1 K(o=-1.1,f=-1.9) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.0509 F(o=-1.6!,f=-0.051) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.0966 X(o=-0.097,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.502 6.020 11.175 1.00 0.00 N ATOM 2 CA GLY A 1 28.438 5.480 10.337 1.00 0.00 C ATOM 3 C GLY A 1 27.074 5.556 11.024 1.00 0.00 C ATOM 4 O GLY A 1 26.887 5.098 12.145 1.00 0.00 O ATOM 0 H1 GLY A 1 30.410 5.949 10.672 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.302 7.018 11.390 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.554 5.479 12.061 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.402 6.031 9.397 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.662 4.442 10.090 1.00 0.00 H new ATOM 10 N ILE A 2 26.141 6.169 10.273 1.00 0.00 N ATOM 11 CA ILE A 2 24.807 6.308 10.825 1.00 0.00 C ATOM 12 C ILE A 2 23.772 6.244 9.699 1.00 0.00 C ATOM 13 O ILE A 2 23.863 6.937 8.693 1.00 0.00 O ATOM 14 CB ILE A 2 24.695 7.632 11.583 1.00 0.00 C ATOM 15 CG1 ILE A 2 24.919 8.821 10.647 1.00 0.00 C ATOM 16 CG2 ILE A 2 25.684 7.670 12.748 1.00 0.00 C ATOM 17 CD1 ILE A 2 24.701 10.156 11.359 1.00 0.00 C ATOM 0 H ILE A 2 26.283 6.552 9.338 1.00 0.00 H new ATOM 0 HA ILE A 2 24.616 5.491 11.521 1.00 0.00 H new ATOM 0 HB ILE A 2 23.685 7.706 11.986 1.00 0.00 H new ATOM 0 HG12 ILE A 2 25.933 8.783 10.249 1.00 0.00 H new ATOM 0 HG13 ILE A 2 24.240 8.747 9.798 1.00 0.00 H new ATOM 0 HG21 ILE A 2 25.589 8.619 13.275 1.00 0.00 H new ATOM 0 HG22 ILE A 2 25.469 6.851 13.434 1.00 0.00 H new ATOM 0 HG23 ILE A 2 26.700 7.567 12.366 1.00 0.00 H new ATOM 0 HD11 ILE A 2 24.870 10.974 10.659 1.00 0.00 H new ATOM 0 HD12 ILE A 2 23.679 10.205 11.735 1.00 0.00 H new ATOM 0 HD13 ILE A 2 25.398 10.242 12.192 1.00 0.00 H new ATOM 29 N GLU A 3 22.788 5.360 9.942 1.00 0.00 N ATOM 30 CA GLU A 3 21.736 5.216 8.956 1.00 0.00 C ATOM 31 C GLU A 3 20.732 6.361 9.102 1.00 0.00 C ATOM 32 O GLU A 3 20.103 6.542 10.138 1.00 0.00 O ATOM 33 CB GLU A 3 21.032 3.871 9.146 1.00 0.00 C ATOM 34 CG GLU A 3 20.442 3.731 10.550 1.00 0.00 C ATOM 35 CD GLU A 3 19.774 2.364 10.705 1.00 0.00 C ATOM 36 OE1 GLU A 3 20.480 1.358 10.664 1.00 0.00 O ATOM 37 OE2 GLU A 3 18.556 2.322 10.869 1.00 0.00 O ATOM 0 H GLU A 3 22.709 4.769 10.770 1.00 0.00 H new ATOM 0 HA GLU A 3 22.170 5.251 7.957 1.00 0.00 H new ATOM 0 HB2 GLU A 3 20.238 3.769 8.406 1.00 0.00 H new ATOM 0 HB3 GLU A 3 21.740 3.062 8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 3 21.228 3.847 11.296 1.00 0.00 H new ATOM 0 HG3 GLU A 3 19.714 4.523 10.728 1.00 0.00 H new ATOM 44 N MET A 4 20.626 7.116 7.994 1.00 0.00 N ATOM 45 CA MET A 4 19.678 8.207 7.992 1.00 0.00 C ATOM 46 C MET A 4 18.263 7.646 7.838 1.00 0.00 C ATOM 47 O MET A 4 17.867 7.176 6.778 1.00 0.00 O ATOM 48 CB MET A 4 20.014 9.136 6.829 1.00 0.00 C ATOM 49 CG MET A 4 21.380 9.799 7.006 1.00 0.00 C ATOM 50 SD MET A 4 21.757 10.903 5.634 1.00 0.00 S ATOM 51 CE MET A 4 23.293 11.587 6.277 1.00 0.00 C ATOM 0 H MET A 4 21.163 6.990 7.136 1.00 0.00 H new ATOM 0 HA MET A 4 19.731 8.764 8.928 1.00 0.00 H new ATOM 0 HB2 MET A 4 20.003 8.570 5.897 1.00 0.00 H new ATOM 0 HB3 MET A 4 19.246 9.904 6.744 1.00 0.00 H new ATOM 0 HG2 MET A 4 21.396 10.359 7.941 1.00 0.00 H new ATOM 0 HG3 MET A 4 22.151 9.032 7.081 1.00 0.00 H new ATOM 0 HE1 MET A 4 23.697 12.306 5.565 1.00 0.00 H new ATOM 0 HE2 MET A 4 23.100 12.086 7.227 1.00 0.00 H new ATOM 0 HE3 MET A 4 24.013 10.783 6.429 1.00 0.00 H new ATOM 61 N LYS A 5 17.542 7.727 8.972 1.00 0.00 N ATOM 62 CA LYS A 5 16.200 7.173 9.012 1.00 0.00 C ATOM 63 C LYS A 5 15.476 7.405 7.677 1.00 0.00 C ATOM 64 O LYS A 5 14.941 8.477 7.422 1.00 0.00 O ATOM 65 CB LYS A 5 15.408 7.835 10.138 1.00 0.00 C ATOM 66 CG LYS A 5 14.000 7.250 10.252 1.00 0.00 C ATOM 67 CD LYS A 5 13.210 7.885 11.396 1.00 0.00 C ATOM 68 CE LYS A 5 11.811 7.282 11.525 1.00 0.00 C ATOM 69 NZ LYS A 5 11.050 7.873 12.619 1.00 0.00 N ATOM 0 H LYS A 5 17.863 8.158 9.839 1.00 0.00 H new ATOM 0 HA LYS A 5 16.273 6.100 9.189 1.00 0.00 H new ATOM 0 HB2 LYS A 5 15.936 7.702 11.082 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.344 8.908 9.957 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.466 7.403 9.314 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.066 6.174 10.410 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.752 7.748 12.332 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.129 8.959 11.229 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.269 7.425 10.590 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.895 6.207 11.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.109 7.432 12.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.552 7.715 13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.945 8.895 12.457 1.00 0.00 H new ATOM 83 N PRO A 6 15.478 6.340 6.840 1.00 0.00 N ATOM 84 CA PRO A 6 14.815 6.362 5.542 1.00 0.00 C ATOM 85 C PRO A 6 13.374 6.902 5.598 1.00 0.00 C ATOM 86 O PRO A 6 13.129 8.015 6.047 1.00 0.00 O ATOM 87 CB PRO A 6 14.897 4.899 5.078 1.00 0.00 C ATOM 88 CG PRO A 6 16.119 4.328 5.800 1.00 0.00 C ATOM 89 CD PRO A 6 16.158 5.084 7.128 1.00 0.00 C ATOM 0 HA PRO A 6 15.292 7.050 4.844 1.00 0.00 H new ATOM 0 HB2 PRO A 6 13.992 4.350 5.338 1.00 0.00 H new ATOM 0 HB3 PRO A 6 15.010 4.833 3.996 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.023 3.254 5.956 1.00 0.00 H new ATOM 0 HG3 PRO A 6 17.031 4.486 5.225 1.00 0.00 H new ATOM 0 HD2 PRO A 6 15.653 4.529 7.918 1.00 0.00 H new ATOM 0 HD3 PRO A 6 17.182 5.252 7.461 1.00 0.00 H new ATOM 97 N HIS A 7 12.441 6.056 5.121 1.00 0.00 N ATOM 98 CA HIS A 7 11.051 6.466 5.157 1.00 0.00 C ATOM 99 C HIS A 7 10.167 5.227 5.360 1.00 0.00 C ATOM 100 O HIS A 7 10.392 4.188 4.753 1.00 0.00 O ATOM 101 CB HIS A 7 10.687 7.154 3.842 1.00 0.00 C ATOM 102 CG HIS A 7 9.252 7.618 3.897 1.00 0.00 C ATOM 103 ND1 HIS A 7 8.871 8.850 4.298 1.00 0.00 N ATOM 104 CD2 HIS A 7 8.101 6.887 3.557 1.00 0.00 C ATOM 105 CE1 HIS A 7 7.529 8.867 4.205 1.00 0.00 C ATOM 106 NE2 HIS A 7 7.038 7.696 3.760 1.00 0.00 N ATOM 0 H HIS A 7 12.623 5.133 4.728 1.00 0.00 H new ATOM 0 HA HIS A 7 10.893 7.164 5.979 1.00 0.00 H new ATOM 0 HB2 HIS A 7 11.348 8.003 3.668 1.00 0.00 H new ATOM 0 HB3 HIS A 7 10.826 6.466 3.008 1.00 0.00 H new ATOM 0 HD1 HIS A 7 9.476 9.611 4.608 1.00 0.00 H new ATOM 0 HD2 HIS A 7 8.072 5.868 3.200 1.00 0.00 H new ATOM 0 HE1 HIS A 7 6.917 9.721 4.458 1.00 0.00 H new ATOM 114 N PRO A 8 9.150 5.386 6.242 1.00 0.00 N ATOM 115 CA PRO A 8 8.174 4.335 6.512 1.00 0.00 C ATOM 116 C PRO A 8 7.638 3.631 5.248 1.00 0.00 C ATOM 117 O PRO A 8 8.390 3.061 4.466 1.00 0.00 O ATOM 118 CB PRO A 8 7.080 5.062 7.310 1.00 0.00 C ATOM 119 CG PRO A 8 7.794 6.238 7.975 1.00 0.00 C ATOM 120 CD PRO A 8 8.925 6.604 7.012 1.00 0.00 C ATOM 0 HA PRO A 8 8.615 3.502 7.060 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.277 5.405 6.658 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.628 4.403 8.052 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.116 7.078 8.126 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.183 5.962 8.955 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.644 7.437 6.367 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.823 6.906 7.550 1.00 0.00 H new ATOM 128 N TRP A 9 6.302 3.701 5.096 1.00 0.00 N ATOM 129 CA TRP A 9 5.692 3.095 3.920 1.00 0.00 C ATOM 130 C TRP A 9 4.653 4.033 3.285 1.00 0.00 C ATOM 131 O TRP A 9 3.637 3.597 2.757 1.00 0.00 O ATOM 132 CB TRP A 9 5.083 1.706 4.207 1.00 0.00 C ATOM 133 CG TRP A 9 4.417 1.579 5.567 1.00 0.00 C ATOM 134 CD1 TRP A 9 4.770 0.630 6.534 1.00 0.00 C ATOM 135 CD2 TRP A 9 3.339 2.359 6.132 1.00 0.00 C ATOM 136 NE1 TRP A 9 3.997 0.769 7.638 1.00 0.00 N ATOM 137 CE2 TRP A 9 3.096 1.809 7.463 1.00 0.00 C ATOM 138 CE3 TRP A 9 2.559 3.447 5.665 1.00 0.00 C ATOM 139 CZ2 TRP A 9 2.089 2.356 8.292 1.00 0.00 C ATOM 140 CZ3 TRP A 9 1.530 4.009 6.506 1.00 0.00 C ATOM 141 CH2 TRP A 9 1.294 3.462 7.819 1.00 0.00 C ATOM 0 H TRP A 9 5.657 4.152 5.746 1.00 0.00 H new ATOM 0 HA TRP A 9 6.498 2.939 3.203 1.00 0.00 H new ATOM 0 HB2 TRP A 9 4.349 1.478 3.434 1.00 0.00 H new ATOM 0 HB3 TRP A 9 5.870 0.955 4.130 1.00 0.00 H new ATOM 0 HD1 TRP A 9 5.549 -0.109 6.416 1.00 0.00 H new ATOM 0 HE1 TRP A 9 4.067 0.192 8.476 1.00 0.00 H new ATOM 0 HE3 TRP A 9 2.735 3.855 4.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.916 1.947 9.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.937 4.839 6.152 1.00 0.00 H new ATOM 0 HH2 TRP A 9 0.522 3.880 8.448 1.00 0.00 H new ATOM 152 N PHE A 10 4.975 5.339 3.363 1.00 0.00 N ATOM 153 CA PHE A 10 4.052 6.320 2.826 1.00 0.00 C ATOM 154 C PHE A 10 4.652 6.971 1.578 1.00 0.00 C ATOM 155 O PHE A 10 5.592 7.753 1.652 1.00 0.00 O ATOM 156 CB PHE A 10 3.784 7.385 3.890 1.00 0.00 C ATOM 157 CG PHE A 10 2.783 8.397 3.419 1.00 0.00 C ATOM 158 CD1 PHE A 10 3.212 9.537 2.650 1.00 0.00 C ATOM 159 CD2 PHE A 10 1.386 8.237 3.733 1.00 0.00 C ATOM 160 CE1 PHE A 10 2.253 10.512 2.200 1.00 0.00 C ATOM 161 CE2 PHE A 10 0.425 9.210 3.286 1.00 0.00 C ATOM 162 CZ PHE A 10 0.860 10.347 2.519 1.00 0.00 C ATOM 0 H PHE A 10 5.830 5.713 3.775 1.00 0.00 H new ATOM 0 HA PHE A 10 3.117 5.832 2.551 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.419 6.908 4.799 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.717 7.887 4.146 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.258 9.661 2.410 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.059 7.383 4.307 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.579 11.366 1.624 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.621 9.087 3.526 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.140 11.078 2.182 1.00 0.00 H new ATOM 172 N PHE A 11 4.045 6.607 0.432 1.00 0.00 N ATOM 173 CA PHE A 11 4.535 7.186 -0.804 1.00 0.00 C ATOM 174 C PHE A 11 3.539 8.242 -1.300 1.00 0.00 C ATOM 175 O PHE A 11 2.513 7.951 -1.903 1.00 0.00 O ATOM 176 CB PHE A 11 4.770 6.059 -1.813 1.00 0.00 C ATOM 177 CG PHE A 11 5.920 5.203 -1.372 1.00 0.00 C ATOM 178 CD1 PHE A 11 5.813 4.393 -0.185 1.00 0.00 C ATOM 179 CD2 PHE A 11 7.144 5.191 -2.130 1.00 0.00 C ATOM 180 CE1 PHE A 11 6.921 3.580 0.242 1.00 0.00 C ATOM 181 CE2 PHE A 11 8.254 4.380 -1.707 1.00 0.00 C ATOM 182 CZ PHE A 11 8.142 3.574 -0.520 1.00 0.00 C ATOM 0 H PHE A 11 3.265 5.956 0.348 1.00 0.00 H new ATOM 0 HA PHE A 11 5.487 7.696 -0.655 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.870 5.452 -1.907 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.976 6.479 -2.798 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.897 4.396 0.387 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.229 5.795 -3.022 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.836 2.975 1.133 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.170 4.376 -2.279 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.974 2.964 -0.201 1.00 0.00 H new ATOM 192 N GLY A 12 3.924 9.492 -0.979 1.00 0.00 N ATOM 193 CA GLY A 12 3.020 10.594 -1.251 1.00 0.00 C ATOM 194 C GLY A 12 2.816 10.793 -2.752 1.00 0.00 C ATOM 195 O GLY A 12 3.753 10.973 -3.522 1.00 0.00 O ATOM 0 H GLY A 12 4.815 9.745 -0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.059 10.404 -0.774 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.418 11.509 -0.812 1.00 0.00 H new ATOM 199 N LYS A 13 1.516 10.752 -3.090 1.00 0.00 N ATOM 200 CA LYS A 13 1.100 10.958 -4.468 1.00 0.00 C ATOM 201 C LYS A 13 2.151 10.429 -5.447 1.00 0.00 C ATOM 202 O LYS A 13 2.438 11.034 -6.473 1.00 0.00 O ATOM 203 CB LYS A 13 0.832 12.443 -4.712 1.00 0.00 C ATOM 204 CG LYS A 13 2.096 13.291 -4.564 1.00 0.00 C ATOM 205 CD LYS A 13 1.806 14.774 -4.794 1.00 0.00 C ATOM 206 CE LYS A 13 3.067 15.630 -4.674 1.00 0.00 C ATOM 207 NZ LYS A 13 3.635 15.597 -3.332 1.00 0.00 N ATOM 0 H LYS A 13 0.755 10.581 -2.433 1.00 0.00 H new ATOM 0 HA LYS A 13 0.180 10.399 -4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.422 12.577 -5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.077 12.794 -4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.514 13.151 -3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.848 12.952 -5.276 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.369 14.909 -5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.066 15.115 -4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.811 15.279 -5.389 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.830 16.660 -4.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.393 16.306 -3.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.893 15.810 -2.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.025 14.652 -3.143 1.00 0.00 H new ATOM 221 N ILE A 14 2.697 9.262 -5.062 1.00 0.00 N ATOM 222 CA ILE A 14 3.671 8.646 -5.938 1.00 0.00 C ATOM 223 C ILE A 14 2.954 8.169 -7.209 1.00 0.00 C ATOM 224 O ILE A 14 1.958 7.458 -7.142 1.00 0.00 O ATOM 225 CB ILE A 14 4.318 7.467 -5.211 1.00 0.00 C ATOM 226 CG1 ILE A 14 5.577 7.004 -5.942 1.00 0.00 C ATOM 227 CG2 ILE A 14 3.324 6.317 -5.049 1.00 0.00 C ATOM 228 CD1 ILE A 14 6.683 8.058 -5.863 1.00 0.00 C ATOM 0 H ILE A 14 2.488 8.761 -4.199 1.00 0.00 H new ATOM 0 HA ILE A 14 4.449 9.358 -6.212 1.00 0.00 H new ATOM 0 HB ILE A 14 4.611 7.801 -4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.930 6.069 -5.507 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.340 6.800 -6.986 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.807 5.489 -4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.465 6.657 -4.471 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.991 5.983 -6.032 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.566 7.699 -6.392 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.336 8.984 -6.321 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.936 8.242 -4.819 1.00 0.00 H new ATOM 240 N PRO A 15 3.494 8.595 -8.375 1.00 0.00 N ATOM 241 CA PRO A 15 2.920 8.234 -9.661 1.00 0.00 C ATOM 242 C PRO A 15 2.549 6.755 -9.758 1.00 0.00 C ATOM 243 O PRO A 15 3.376 5.868 -9.585 1.00 0.00 O ATOM 244 CB PRO A 15 4.010 8.597 -10.668 1.00 0.00 C ATOM 245 CG PRO A 15 4.830 9.693 -9.981 1.00 0.00 C ATOM 246 CD PRO A 15 4.695 9.415 -8.481 1.00 0.00 C ATOM 0 HA PRO A 15 1.980 8.757 -9.837 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.629 7.733 -10.909 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.580 8.953 -11.604 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.873 9.660 -10.295 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.452 10.684 -10.233 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.569 8.893 -8.093 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.597 10.340 -7.912 1.00 0.00 H new ATOM 254 N ARG A 16 1.247 6.561 -10.035 1.00 0.00 N ATOM 255 CA ARG A 16 0.732 5.203 -10.118 1.00 0.00 C ATOM 256 C ARG A 16 1.762 4.257 -10.751 1.00 0.00 C ATOM 257 O ARG A 16 1.904 3.107 -10.354 1.00 0.00 O ATOM 258 CB ARG A 16 -0.557 5.196 -10.942 1.00 0.00 C ATOM 259 CG ARG A 16 -1.177 3.802 -11.020 1.00 0.00 C ATOM 260 CD ARG A 16 -2.459 3.794 -11.854 1.00 0.00 C ATOM 261 NE ARG A 16 -2.173 4.223 -13.210 1.00 0.00 N ATOM 262 CZ ARG A 16 -3.097 4.007 -14.165 1.00 0.00 C ATOM 263 NH1 ARG A 16 -4.248 3.410 -13.864 1.00 0.00 N ATOM 264 NH2 ARG A 16 -2.859 4.393 -15.415 1.00 0.00 N ATOM 0 H ARG A 16 0.564 7.301 -10.198 1.00 0.00 H new ATOM 0 HA ARG A 16 0.526 4.850 -9.108 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.274 5.888 -10.500 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.346 5.556 -11.949 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.457 3.108 -11.454 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.396 3.445 -10.014 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.890 2.793 -11.864 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.200 4.455 -11.404 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.289 4.679 -13.435 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.434 3.114 -12.906 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.944 3.249 -14.592 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.978 4.851 -15.648 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.557 4.231 -16.141 1.00 0.00 H new ATOM 278 N ALA A 17 2.469 4.815 -11.750 1.00 0.00 N ATOM 279 CA ALA A 17 3.483 4.010 -12.401 1.00 0.00 C ATOM 280 C ALA A 17 4.659 3.789 -11.447 1.00 0.00 C ATOM 281 O ALA A 17 5.017 2.666 -11.115 1.00 0.00 O ATOM 282 CB ALA A 17 3.960 4.710 -13.674 1.00 0.00 C ATOM 0 H ALA A 17 2.358 5.767 -12.100 1.00 0.00 H new ATOM 0 HA ALA A 17 3.059 3.042 -12.668 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.722 4.101 -14.160 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.117 4.846 -14.352 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.381 5.683 -13.419 1.00 0.00 H new ATOM 288 N LYS A 18 5.230 4.936 -11.040 1.00 0.00 N ATOM 289 CA LYS A 18 6.392 4.872 -10.173 1.00 0.00 C ATOM 290 C LYS A 18 6.159 3.838 -9.065 1.00 0.00 C ATOM 291 O LYS A 18 6.979 2.962 -8.820 1.00 0.00 O ATOM 292 CB LYS A 18 6.657 6.264 -9.595 1.00 0.00 C ATOM 293 CG LYS A 18 8.033 6.398 -8.940 1.00 0.00 C ATOM 294 CD LYS A 18 8.167 5.594 -7.646 1.00 0.00 C ATOM 295 CE LYS A 18 9.491 5.883 -6.945 1.00 0.00 C ATOM 296 NZ LYS A 18 10.642 5.433 -7.719 1.00 0.00 N ATOM 0 H LYS A 18 4.915 5.873 -11.290 1.00 0.00 H new ATOM 0 HA LYS A 18 7.269 4.558 -10.739 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.568 7.003 -10.391 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.888 6.496 -8.858 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.797 6.069 -9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.226 7.450 -8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.340 5.836 -6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.096 4.529 -7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.576 6.954 -6.763 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.498 5.393 -5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.508 5.559 -7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.528 4.427 -7.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.712 5.991 -8.594 1.00 0.00 H new ATOM 310 N ALA A 19 4.982 3.992 -8.429 1.00 0.00 N ATOM 311 CA ALA A 19 4.600 3.036 -7.403 1.00 0.00 C ATOM 312 C ALA A 19 4.955 1.619 -7.856 1.00 0.00 C ATOM 313 O ALA A 19 5.647 0.870 -7.178 1.00 0.00 O ATOM 314 CB ALA A 19 3.091 3.128 -7.171 1.00 0.00 C ATOM 0 H ALA A 19 4.312 4.740 -8.605 1.00 0.00 H new ATOM 0 HA ALA A 19 5.134 3.262 -6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.797 2.413 -6.402 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.834 4.136 -6.847 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.566 2.900 -8.098 1.00 0.00 H new ATOM 320 N GLU A 20 4.425 1.321 -9.054 1.00 0.00 N ATOM 321 CA GLU A 20 4.659 0.005 -9.619 1.00 0.00 C ATOM 322 C GLU A 20 6.155 -0.260 -9.829 1.00 0.00 C ATOM 323 O GLU A 20 6.624 -1.383 -9.702 1.00 0.00 O ATOM 324 CB GLU A 20 3.948 -0.104 -10.967 1.00 0.00 C ATOM 325 CG GLU A 20 2.427 -0.041 -10.821 1.00 0.00 C ATOM 326 CD GLU A 20 1.769 -0.152 -12.199 1.00 0.00 C ATOM 327 OE1 GLU A 20 2.348 -0.792 -13.076 1.00 0.00 O ATOM 328 OE2 GLU A 20 0.690 0.409 -12.380 1.00 0.00 O ATOM 0 H GLU A 20 3.857 1.951 -9.621 1.00 0.00 H new ATOM 0 HA GLU A 20 4.270 -0.733 -8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.283 0.702 -11.619 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.227 -1.041 -11.449 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.081 -0.849 -10.176 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.137 0.895 -10.343 1.00 0.00 H new ATOM 335 N GLU A 21 6.867 0.826 -10.180 1.00 0.00 N ATOM 336 CA GLU A 21 8.245 0.614 -10.580 1.00 0.00 C ATOM 337 C GLU A 21 9.079 0.075 -9.415 1.00 0.00 C ATOM 338 O GLU A 21 9.498 -1.076 -9.411 1.00 0.00 O ATOM 339 CB GLU A 21 8.832 1.909 -11.136 1.00 0.00 C ATOM 340 CG GLU A 21 7.968 2.460 -12.269 1.00 0.00 C ATOM 341 CD GLU A 21 8.699 3.604 -12.976 1.00 0.00 C ATOM 342 OE1 GLU A 21 9.499 4.278 -12.329 1.00 0.00 O ATOM 343 OE2 GLU A 21 8.465 3.803 -14.167 1.00 0.00 O ATOM 0 H GLU A 21 6.532 1.789 -10.193 1.00 0.00 H new ATOM 0 HA GLU A 21 8.269 -0.139 -11.368 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.909 2.649 -10.339 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.843 1.727 -11.500 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.740 1.668 -12.982 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.017 2.815 -11.872 1.00 0.00 H new ATOM 350 N MET A 22 9.312 0.973 -8.440 1.00 0.00 N ATOM 351 CA MET A 22 10.175 0.550 -7.352 1.00 0.00 C ATOM 352 C MET A 22 9.565 -0.647 -6.612 1.00 0.00 C ATOM 353 O MET A 22 10.260 -1.576 -6.221 1.00 0.00 O ATOM 354 CB MET A 22 10.433 1.714 -6.395 1.00 0.00 C ATOM 355 CG MET A 22 9.160 2.192 -5.698 1.00 0.00 C ATOM 356 SD MET A 22 9.521 3.481 -4.494 1.00 0.00 S ATOM 357 CE MET A 22 10.121 2.422 -3.168 1.00 0.00 C ATOM 0 H MET A 22 8.942 1.922 -8.389 1.00 0.00 H new ATOM 0 HA MET A 22 11.131 0.234 -7.769 1.00 0.00 H new ATOM 0 HB2 MET A 22 11.161 1.408 -5.644 1.00 0.00 H new ATOM 0 HB3 MET A 22 10.874 2.544 -6.948 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.456 2.570 -6.440 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.677 1.351 -5.200 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.859 2.963 -2.576 1.00 0.00 H new ATOM 0 HE2 MET A 22 9.287 2.130 -2.530 1.00 0.00 H new ATOM 0 HE3 MET A 22 10.581 1.531 -3.594 1.00 0.00 H new ATOM 367 N LEU A 23 8.230 -0.572 -6.457 1.00 0.00 N ATOM 368 CA LEU A 23 7.566 -1.665 -5.774 1.00 0.00 C ATOM 369 C LEU A 23 7.766 -2.977 -6.540 1.00 0.00 C ATOM 370 O LEU A 23 8.013 -4.027 -5.958 1.00 0.00 O ATOM 371 CB LEU A 23 6.079 -1.346 -5.635 1.00 0.00 C ATOM 372 CG LEU A 23 5.319 -2.439 -4.885 1.00 0.00 C ATOM 373 CD1 LEU A 23 5.976 -2.742 -3.539 1.00 0.00 C ATOM 374 CD2 LEU A 23 3.862 -2.023 -4.685 1.00 0.00 C ATOM 0 H LEU A 23 7.632 0.189 -6.778 1.00 0.00 H new ATOM 0 HA LEU A 23 8.000 -1.785 -4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.961 -0.398 -5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.643 -1.218 -6.626 1.00 0.00 H new ATOM 0 HG LEU A 23 5.349 -3.348 -5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.414 -3.523 -3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.000 -3.079 -3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.983 -1.840 -2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.329 -2.809 -4.150 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.823 -1.100 -4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.393 -1.863 -5.656 1.00 0.00 H new ATOM 386 N SER A 24 7.655 -2.847 -7.876 1.00 0.00 N ATOM 387 CA SER A 24 7.874 -4.029 -8.697 1.00 0.00 C ATOM 388 C SER A 24 9.328 -4.509 -8.576 1.00 0.00 C ATOM 389 O SER A 24 9.612 -5.701 -8.540 1.00 0.00 O ATOM 390 CB SER A 24 7.542 -3.726 -10.158 1.00 0.00 C ATOM 391 OG SER A 24 8.324 -2.663 -10.639 1.00 0.00 O ATOM 0 H SER A 24 7.429 -1.987 -8.376 1.00 0.00 H new ATOM 0 HA SER A 24 7.216 -4.822 -8.341 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.714 -4.614 -10.766 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.485 -3.476 -10.251 1.00 0.00 H new ATOM 0 HG SER A 24 8.241 -1.896 -10.035 1.00 0.00 H new ATOM 397 N LYS A 25 10.219 -3.503 -8.500 1.00 0.00 N ATOM 398 CA LYS A 25 11.626 -3.785 -8.297 1.00 0.00 C ATOM 399 C LYS A 25 11.886 -4.291 -6.869 1.00 0.00 C ATOM 400 O LYS A 25 12.907 -3.989 -6.265 1.00 0.00 O ATOM 401 CB LYS A 25 12.389 -2.484 -8.536 1.00 0.00 C ATOM 402 CG LYS A 25 12.244 -2.008 -9.983 1.00 0.00 C ATOM 403 CD LYS A 25 12.372 -0.489 -10.100 1.00 0.00 C ATOM 404 CE LYS A 25 12.652 -0.047 -11.537 1.00 0.00 C ATOM 405 NZ LYS A 25 12.766 1.402 -11.659 1.00 0.00 N ATOM 0 H LYS A 25 9.984 -2.513 -8.576 1.00 0.00 H new ATOM 0 HA LYS A 25 11.954 -4.565 -8.984 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.018 -1.714 -7.859 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.444 -2.631 -8.304 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.006 -2.485 -10.600 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.276 -2.322 -10.373 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.453 -0.020 -9.749 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.176 -0.142 -9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.574 -0.512 -11.884 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.852 -0.402 -12.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.735 1.669 -12.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.978 1.856 -11.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.667 1.715 -11.245 1.00 0.00 H new ATOM 419 N GLN A 26 10.907 -5.070 -6.367 1.00 0.00 N ATOM 420 CA GLN A 26 11.079 -5.601 -5.029 1.00 0.00 C ATOM 421 C GLN A 26 11.338 -7.104 -5.093 1.00 0.00 C ATOM 422 O GLN A 26 10.699 -7.851 -5.824 1.00 0.00 O ATOM 423 CB GLN A 26 9.849 -5.298 -4.176 1.00 0.00 C ATOM 424 CG GLN A 26 9.752 -3.810 -3.850 1.00 0.00 C ATOM 425 CD GLN A 26 10.992 -3.361 -3.074 1.00 0.00 C ATOM 426 OE1 GLN A 26 11.839 -4.157 -2.687 1.00 0.00 O ATOM 427 NE2 GLN A 26 11.032 -2.030 -2.874 1.00 0.00 N ATOM 0 H GLN A 26 10.043 -5.326 -6.845 1.00 0.00 H new ATOM 0 HA GLN A 26 11.941 -5.121 -4.565 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.950 -5.616 -4.704 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.895 -5.873 -3.251 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.660 -3.233 -4.770 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.855 -3.616 -3.262 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.282 -1.438 -3.231 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.812 -1.614 -2.365 1.00 0.00 H new ATOM 436 N ARG A 27 12.336 -7.474 -4.273 1.00 0.00 N ATOM 437 CA ARG A 27 12.726 -8.869 -4.240 1.00 0.00 C ATOM 438 C ARG A 27 11.930 -9.593 -3.156 1.00 0.00 C ATOM 439 O ARG A 27 12.346 -9.687 -2.009 1.00 0.00 O ATOM 440 CB ARG A 27 14.226 -8.996 -3.959 1.00 0.00 C ATOM 441 CG ARG A 27 15.092 -8.533 -5.135 1.00 0.00 C ATOM 442 CD ARG A 27 15.052 -7.019 -5.353 1.00 0.00 C ATOM 443 NE ARG A 27 15.975 -6.651 -6.409 1.00 0.00 N ATOM 444 CZ ARG A 27 16.104 -5.349 -6.732 1.00 0.00 C ATOM 445 NH1 ARG A 27 15.399 -4.425 -6.086 1.00 0.00 N ATOM 446 NH2 ARG A 27 16.940 -4.988 -7.700 1.00 0.00 N ATOM 0 H ARG A 27 12.858 -6.851 -3.656 1.00 0.00 H new ATOM 0 HA ARG A 27 12.515 -9.321 -5.209 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.477 -8.408 -3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.461 -10.035 -3.728 1.00 0.00 H new ATOM 0 HG2 ARG A 27 16.123 -8.842 -4.962 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.757 -9.033 -6.044 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.041 -6.707 -5.616 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.316 -6.502 -4.430 1.00 0.00 H new ATOM 0 HE ARG A 27 16.516 -7.364 -6.898 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.757 -4.700 -5.343 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.500 -3.441 -6.334 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.482 -5.696 -8.196 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.040 -4.003 -7.947 1.00 0.00 H new ATOM 460 N HIS A 28 10.777 -10.097 -3.641 1.00 0.00 N ATOM 461 CA HIS A 28 9.819 -10.887 -2.882 1.00 0.00 C ATOM 462 C HIS A 28 8.487 -10.137 -2.814 1.00 0.00 C ATOM 463 O HIS A 28 8.398 -9.014 -2.333 1.00 0.00 O ATOM 464 CB HIS A 28 10.306 -11.205 -1.471 1.00 0.00 C ATOM 465 CG HIS A 28 11.465 -12.174 -1.531 1.00 0.00 C ATOM 466 ND1 HIS A 28 12.308 -12.280 -2.580 1.00 0.00 N ATOM 467 CD2 HIS A 28 11.858 -13.101 -0.551 1.00 0.00 C ATOM 468 CE1 HIS A 28 13.187 -13.242 -2.248 1.00 0.00 C ATOM 469 NE2 HIS A 28 12.941 -13.756 -1.030 1.00 0.00 N ATOM 0 H HIS A 28 10.488 -9.953 -4.609 1.00 0.00 H new ATOM 0 HA HIS A 28 9.696 -11.839 -3.398 1.00 0.00 H new ATOM 0 HB2 HIS A 28 10.613 -10.288 -0.968 1.00 0.00 H new ATOM 0 HB3 HIS A 28 9.493 -11.633 -0.885 1.00 0.00 H new ATOM 0 HD2 HIS A 28 11.384 -13.261 0.406 1.00 0.00 H new ATOM 0 HE1 HIS A 28 13.997 -13.564 -2.886 1.00 0.00 H new ATOM 0 HE2 HIS A 28 13.466 -14.493 -0.560 1.00 0.00 H new ATOM 477 N ASP A 29 7.467 -10.843 -3.334 1.00 0.00 N ATOM 478 CA ASP A 29 6.146 -10.246 -3.344 1.00 0.00 C ATOM 479 C ASP A 29 5.695 -9.956 -1.910 1.00 0.00 C ATOM 480 O ASP A 29 5.789 -10.792 -1.020 1.00 0.00 O ATOM 481 CB ASP A 29 5.158 -11.192 -4.026 1.00 0.00 C ATOM 482 CG ASP A 29 5.615 -11.472 -5.459 1.00 0.00 C ATOM 483 OD1 ASP A 29 6.096 -10.548 -6.113 1.00 0.00 O ATOM 484 OD2 ASP A 29 5.488 -12.613 -5.904 1.00 0.00 O ATOM 0 H ASP A 29 7.536 -11.780 -3.731 1.00 0.00 H new ATOM 0 HA ASP A 29 6.179 -9.308 -3.898 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.089 -12.125 -3.467 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.162 -10.750 -4.032 1.00 0.00 H new ATOM 489 N GLY A 30 5.204 -8.713 -1.757 1.00 0.00 N ATOM 490 CA GLY A 30 4.715 -8.328 -0.446 1.00 0.00 C ATOM 491 C GLY A 30 4.964 -6.842 -0.161 1.00 0.00 C ATOM 492 O GLY A 30 4.163 -6.173 0.480 1.00 0.00 O ATOM 0 H GLY A 30 5.141 -8.002 -2.486 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.647 -8.537 -0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.206 -8.932 0.317 1.00 0.00 H new ATOM 496 N ALA A 31 6.114 -6.366 -0.681 1.00 0.00 N ATOM 497 CA ALA A 31 6.435 -4.962 -0.489 1.00 0.00 C ATOM 498 C ALA A 31 5.184 -4.110 -0.719 1.00 0.00 C ATOM 499 O ALA A 31 4.292 -4.479 -1.473 1.00 0.00 O ATOM 500 CB ALA A 31 7.542 -4.549 -1.458 1.00 0.00 C ATOM 0 H ALA A 31 6.796 -6.911 -1.209 1.00 0.00 H new ATOM 0 HA ALA A 31 6.784 -4.807 0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.780 -3.495 -1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.431 -5.151 -1.272 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.205 -4.705 -2.483 1.00 0.00 H new ATOM 506 N PHE A 32 5.160 -2.964 -0.014 1.00 0.00 N ATOM 507 CA PHE A 32 3.945 -2.182 -0.149 1.00 0.00 C ATOM 508 C PHE A 32 4.190 -0.697 0.128 1.00 0.00 C ATOM 509 O PHE A 32 5.156 -0.302 0.769 1.00 0.00 O ATOM 510 CB PHE A 32 2.894 -2.709 0.827 1.00 0.00 C ATOM 511 CG PHE A 32 3.362 -2.584 2.248 1.00 0.00 C ATOM 512 CD1 PHE A 32 4.224 -3.587 2.817 1.00 0.00 C ATOM 513 CD2 PHE A 32 2.952 -1.461 3.051 1.00 0.00 C ATOM 514 CE1 PHE A 32 4.675 -3.469 4.179 1.00 0.00 C ATOM 515 CE2 PHE A 32 3.400 -1.341 4.413 1.00 0.00 C ATOM 516 CZ PHE A 32 4.262 -2.344 4.977 1.00 0.00 C ATOM 0 H PHE A 32 5.892 -2.596 0.593 1.00 0.00 H new ATOM 0 HA PHE A 32 3.596 -2.280 -1.177 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.964 -2.156 0.698 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.677 -3.754 0.603 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.534 -4.432 2.219 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.306 -0.706 2.629 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.322 -4.223 4.602 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.089 -0.498 5.012 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.600 -2.254 5.999 1.00 0.00 H new ATOM 526 N LEU A 33 3.220 0.086 -0.387 1.00 0.00 N ATOM 527 CA LEU A 33 3.201 1.489 -0.015 1.00 0.00 C ATOM 528 C LEU A 33 1.905 1.773 0.743 1.00 0.00 C ATOM 529 O LEU A 33 1.070 0.906 0.971 1.00 0.00 O ATOM 530 CB LEU A 33 3.178 2.430 -1.232 1.00 0.00 C ATOM 531 CG LEU A 33 3.765 1.878 -2.525 1.00 0.00 C ATOM 532 CD1 LEU A 33 3.182 2.663 -3.697 1.00 0.00 C ATOM 533 CD2 LEU A 33 5.287 1.974 -2.568 1.00 0.00 C ATOM 0 H LEU A 33 2.485 -0.218 -1.025 1.00 0.00 H new ATOM 0 HA LEU A 33 4.103 1.668 0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.144 2.718 -1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.720 3.339 -0.971 1.00 0.00 H new ATOM 0 HG LEU A 33 3.506 0.821 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.592 2.280 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.098 2.553 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.439 3.717 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.651 1.566 -3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.588 3.018 -2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.711 1.406 -1.740 1.00 0.00 H new ATOM 545 N ILE A 34 1.777 3.081 1.007 1.00 0.00 N ATOM 546 CA ILE A 34 0.449 3.633 1.163 1.00 0.00 C ATOM 547 C ILE A 34 0.488 5.068 0.645 1.00 0.00 C ATOM 548 O ILE A 34 1.012 5.974 1.282 1.00 0.00 O ATOM 549 CB ILE A 34 -0.015 3.588 2.618 1.00 0.00 C ATOM 550 CG1 ILE A 34 -0.215 2.145 3.079 1.00 0.00 C ATOM 551 CG2 ILE A 34 -1.308 4.388 2.782 1.00 0.00 C ATOM 552 CD1 ILE A 34 -0.763 2.076 4.506 1.00 0.00 C ATOM 0 H ILE A 34 2.547 3.742 1.111 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.269 3.039 0.597 1.00 0.00 H new ATOM 0 HB ILE A 34 0.757 4.038 3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.902 1.639 2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.734 1.612 3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.630 4.350 3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.133 5.425 2.494 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.083 3.961 2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.891 1.033 4.796 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.064 2.559 5.188 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.725 2.586 4.551 1.00 0.00 H new ATOM 564 N ARG A 35 -0.068 5.198 -0.573 1.00 0.00 N ATOM 565 CA ARG A 35 0.125 6.458 -1.262 1.00 0.00 C ATOM 566 C ARG A 35 -1.080 7.376 -1.074 1.00 0.00 C ATOM 567 O ARG A 35 -2.216 6.946 -0.918 1.00 0.00 O ATOM 568 CB ARG A 35 0.383 6.196 -2.747 1.00 0.00 C ATOM 569 CG ARG A 35 -0.785 5.470 -3.414 1.00 0.00 C ATOM 570 CD ARG A 35 -0.483 5.134 -4.875 1.00 0.00 C ATOM 571 NE ARG A 35 -1.616 4.455 -5.474 1.00 0.00 N ATOM 572 CZ ARG A 35 -2.674 5.186 -5.873 1.00 0.00 C ATOM 573 NH1 ARG A 35 -2.673 6.507 -5.718 1.00 0.00 N ATOM 574 NH2 ARG A 35 -3.725 4.584 -6.422 1.00 0.00 N ATOM 0 H ARG A 35 -0.616 4.491 -1.063 1.00 0.00 H new ATOM 0 HA ARG A 35 0.991 6.963 -0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.559 7.143 -3.257 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.290 5.601 -2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.003 4.553 -2.867 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.678 6.092 -3.361 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.262 6.047 -5.428 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.403 4.502 -4.935 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.611 3.442 -5.591 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.869 6.970 -5.295 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.477 7.057 -6.022 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.728 3.571 -6.540 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.528 5.135 -6.725 1.00 0.00 H new ATOM 588 N GLU A 36 -0.731 8.676 -1.087 1.00 0.00 N ATOM 589 CA GLU A 36 -1.766 9.672 -0.878 1.00 0.00 C ATOM 590 C GLU A 36 -1.951 10.509 -2.145 1.00 0.00 C ATOM 591 O GLU A 36 -1.004 10.821 -2.855 1.00 0.00 O ATOM 592 CB GLU A 36 -1.387 10.573 0.297 1.00 0.00 C ATOM 593 CG GLU A 36 -2.446 11.646 0.555 1.00 0.00 C ATOM 594 CD GLU A 36 -2.013 12.532 1.725 1.00 0.00 C ATOM 595 OE1 GLU A 36 -1.810 12.005 2.817 1.00 0.00 O ATOM 596 OE2 GLU A 36 -1.884 13.740 1.529 1.00 0.00 O ATOM 0 H GLU A 36 0.212 9.036 -1.233 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.705 9.168 -0.650 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.258 9.966 1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.428 11.050 0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.587 12.253 -0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.405 11.178 0.777 1.00 0.00 H new ATOM 603 N SER A 37 -3.233 10.842 -2.380 1.00 0.00 N ATOM 604 CA SER A 37 -3.525 11.628 -3.565 1.00 0.00 C ATOM 605 C SER A 37 -2.661 12.893 -3.574 1.00 0.00 C ATOM 606 O SER A 37 -1.711 13.033 -2.813 1.00 0.00 O ATOM 607 CB SER A 37 -5.010 11.993 -3.592 1.00 0.00 C ATOM 608 OG SER A 37 -5.328 12.706 -4.761 1.00 0.00 O ATOM 0 H SER A 37 -4.032 10.592 -1.797 1.00 0.00 H new ATOM 0 HA SER A 37 -3.294 11.041 -4.454 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.613 11.086 -3.538 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.258 12.593 -2.716 1.00 0.00 H new ATOM 0 HG SER A 37 -6.282 12.928 -4.759 1.00 0.00 H new ATOM 614 N GLU A 38 -3.057 13.796 -4.488 1.00 0.00 N ATOM 615 CA GLU A 38 -2.275 15.007 -4.636 1.00 0.00 C ATOM 616 C GLU A 38 -2.925 16.159 -3.864 1.00 0.00 C ATOM 617 O GLU A 38 -2.411 16.638 -2.862 1.00 0.00 O ATOM 618 CB GLU A 38 -2.167 15.371 -6.117 1.00 0.00 C ATOM 619 CG GLU A 38 -1.312 16.618 -6.336 1.00 0.00 C ATOM 620 CD GLU A 38 -1.237 16.945 -7.828 1.00 0.00 C ATOM 621 OE1 GLU A 38 -0.357 16.412 -8.502 1.00 0.00 O ATOM 622 OE2 GLU A 38 -2.057 17.733 -8.299 1.00 0.00 O ATOM 0 H GLU A 38 -3.870 13.709 -5.098 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.278 14.834 -4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.736 14.534 -6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.164 15.539 -6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.737 17.461 -5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.310 16.456 -5.940 1.00 0.00 H new ATOM 629 N SER A 39 -4.078 16.580 -4.419 1.00 0.00 N ATOM 630 CA SER A 39 -4.713 17.761 -3.861 1.00 0.00 C ATOM 631 C SER A 39 -5.699 17.406 -2.736 1.00 0.00 C ATOM 632 O SER A 39 -6.686 18.098 -2.522 1.00 0.00 O ATOM 633 CB SER A 39 -5.443 18.517 -4.971 1.00 0.00 C ATOM 634 OG SER A 39 -6.461 17.724 -5.525 1.00 0.00 O ATOM 0 H SER A 39 -4.556 16.142 -5.206 1.00 0.00 H new ATOM 0 HA SER A 39 -3.934 18.389 -3.428 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.869 19.437 -4.572 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.735 18.804 -5.748 1.00 0.00 H new ATOM 0 HG SER A 39 -6.918 18.225 -6.232 1.00 0.00 H new ATOM 640 N ALA A 40 -5.377 16.306 -2.031 1.00 0.00 N ATOM 641 CA ALA A 40 -6.228 15.958 -0.910 1.00 0.00 C ATOM 642 C ALA A 40 -5.695 14.696 -0.233 1.00 0.00 C ATOM 643 O ALA A 40 -5.330 13.727 -0.889 1.00 0.00 O ATOM 644 CB ALA A 40 -7.645 15.677 -1.409 1.00 0.00 C ATOM 0 H ALA A 40 -4.586 15.687 -2.210 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.237 16.787 -0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.283 15.416 -0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.040 16.566 -1.901 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.624 14.849 -2.118 1.00 0.00 H new ATOM 650 N PRO A 41 -5.684 14.738 1.119 1.00 0.00 N ATOM 651 CA PRO A 41 -5.358 13.557 1.897 1.00 0.00 C ATOM 652 C PRO A 41 -6.555 12.608 1.778 1.00 0.00 C ATOM 653 O PRO A 41 -7.200 12.546 0.739 1.00 0.00 O ATOM 654 CB PRO A 41 -5.200 14.108 3.319 1.00 0.00 C ATOM 655 CG PRO A 41 -6.068 15.369 3.352 1.00 0.00 C ATOM 656 CD PRO A 41 -6.039 15.902 1.918 1.00 0.00 C ATOM 0 HA PRO A 41 -4.467 13.011 1.587 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.529 13.382 4.063 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.158 14.340 3.539 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.086 15.140 3.668 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.673 16.103 4.055 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.006 16.309 1.623 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.308 16.703 1.804 1.00 0.00 H new ATOM 664 N GLY A 42 -6.845 11.914 2.893 1.00 0.00 N ATOM 665 CA GLY A 42 -8.013 11.050 2.886 1.00 0.00 C ATOM 666 C GLY A 42 -7.828 9.817 1.986 1.00 0.00 C ATOM 667 O GLY A 42 -8.372 8.751 2.247 1.00 0.00 O ATOM 0 H GLY A 42 -6.312 11.937 3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.226 10.724 3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.879 11.618 2.545 1.00 0.00 H new ATOM 671 N ASP A 43 -7.042 10.026 0.913 1.00 0.00 N ATOM 672 CA ASP A 43 -6.883 8.963 -0.057 1.00 0.00 C ATOM 673 C ASP A 43 -5.693 8.082 0.325 1.00 0.00 C ATOM 674 O ASP A 43 -4.538 8.473 0.214 1.00 0.00 O ATOM 675 CB ASP A 43 -6.649 9.580 -1.438 1.00 0.00 C ATOM 676 CG ASP A 43 -6.570 8.477 -2.496 1.00 0.00 C ATOM 677 OD1 ASP A 43 -5.475 7.973 -2.737 1.00 0.00 O ATOM 678 OD2 ASP A 43 -7.605 8.141 -3.071 1.00 0.00 O ATOM 0 H ASP A 43 -6.533 10.887 0.713 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.783 8.348 -0.076 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.458 10.270 -1.679 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.726 10.160 -1.435 1.00 0.00 H new ATOM 683 N PHE A 44 -6.056 6.866 0.771 1.00 0.00 N ATOM 684 CA PHE A 44 -5.007 5.927 1.117 1.00 0.00 C ATOM 685 C PHE A 44 -5.319 4.563 0.503 1.00 0.00 C ATOM 686 O PHE A 44 -6.364 3.971 0.739 1.00 0.00 O ATOM 687 CB PHE A 44 -4.894 5.802 2.638 1.00 0.00 C ATOM 688 CG PHE A 44 -4.521 7.108 3.274 1.00 0.00 C ATOM 689 CD1 PHE A 44 -3.539 7.965 2.659 1.00 0.00 C ATOM 690 CD2 PHE A 44 -5.144 7.514 4.507 1.00 0.00 C ATOM 691 CE1 PHE A 44 -3.183 9.217 3.272 1.00 0.00 C ATOM 692 CE2 PHE A 44 -4.791 8.766 5.122 1.00 0.00 C ATOM 693 CZ PHE A 44 -3.810 9.617 4.503 1.00 0.00 C ATOM 0 H PHE A 44 -7.013 6.535 0.891 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.057 6.290 0.724 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.843 5.456 3.047 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.146 5.049 2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.068 7.666 1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.880 6.875 4.973 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.446 9.856 2.808 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.262 9.066 6.047 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.544 10.557 4.963 1.00 0.00 H new ATOM 703 N SER A 45 -4.337 4.111 -0.297 1.00 0.00 N ATOM 704 CA SER A 45 -4.493 2.804 -0.902 1.00 0.00 C ATOM 705 C SER A 45 -3.194 2.014 -0.743 1.00 0.00 C ATOM 706 O SER A 45 -2.107 2.486 -1.057 1.00 0.00 O ATOM 707 CB SER A 45 -4.859 2.948 -2.378 1.00 0.00 C ATOM 708 OG SER A 45 -3.859 3.648 -3.074 1.00 0.00 O ATOM 0 H SER A 45 -3.476 4.609 -0.523 1.00 0.00 H new ATOM 0 HA SER A 45 -5.299 2.266 -0.403 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.995 1.962 -2.822 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.809 3.473 -2.472 1.00 0.00 H new ATOM 0 HG SER A 45 -3.014 3.586 -2.582 1.00 0.00 H new ATOM 714 N LEU A 46 -3.383 0.792 -0.217 1.00 0.00 N ATOM 715 CA LEU A 46 -2.216 -0.024 0.050 1.00 0.00 C ATOM 716 C LEU A 46 -1.800 -0.761 -1.224 1.00 0.00 C ATOM 717 O LEU A 46 -2.524 -1.594 -1.755 1.00 0.00 O ATOM 718 CB LEU A 46 -2.536 -1.017 1.168 1.00 0.00 C ATOM 719 CG LEU A 46 -1.283 -1.612 1.817 1.00 0.00 C ATOM 720 CD1 LEU A 46 -1.652 -2.346 3.106 1.00 0.00 C ATOM 721 CD2 LEU A 46 -0.548 -2.557 0.866 1.00 0.00 C ATOM 0 H LEU A 46 -4.285 0.376 0.017 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.388 0.609 0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.131 -0.516 1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.148 -1.824 0.765 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.610 -0.787 2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.752 -2.764 3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.116 -1.648 3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.351 -3.151 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.335 -2.959 1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.210 -3.376 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.245 -2.011 -0.027 1.00 0.00 H new ATOM 733 N SER A 47 -0.585 -0.396 -1.668 1.00 0.00 N ATOM 734 CA SER A 47 -0.066 -1.073 -2.841 1.00 0.00 C ATOM 735 C SER A 47 0.788 -2.259 -2.392 1.00 0.00 C ATOM 736 O SER A 47 1.482 -2.199 -1.385 1.00 0.00 O ATOM 737 CB SER A 47 0.764 -0.102 -3.681 1.00 0.00 C ATOM 738 OG SER A 47 -0.019 0.988 -4.097 1.00 0.00 O ATOM 0 H SER A 47 0.015 0.319 -1.256 1.00 0.00 H new ATOM 0 HA SER A 47 -0.891 -1.435 -3.455 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.614 0.255 -3.100 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.168 -0.619 -4.551 1.00 0.00 H new ATOM 0 HG SER A 47 0.478 1.514 -4.758 1.00 0.00 H new ATOM 744 N VAL A 48 0.680 -3.339 -3.186 1.00 0.00 N ATOM 745 CA VAL A 48 1.419 -4.524 -2.792 1.00 0.00 C ATOM 746 C VAL A 48 2.132 -5.135 -4.000 1.00 0.00 C ATOM 747 O VAL A 48 1.616 -5.175 -5.110 1.00 0.00 O ATOM 748 CB VAL A 48 0.471 -5.550 -2.170 1.00 0.00 C ATOM 749 CG1 VAL A 48 1.237 -6.800 -1.733 1.00 0.00 C ATOM 750 CG2 VAL A 48 -0.289 -4.938 -0.993 1.00 0.00 C ATOM 0 H VAL A 48 0.128 -3.408 -4.041 1.00 0.00 H new ATOM 0 HA VAL A 48 2.168 -4.238 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.256 -5.846 -2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.543 -7.517 -1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.723 -7.250 -2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.991 -6.525 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.958 -5.684 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.420 -4.608 -0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.872 -4.085 -1.340 1.00 0.00 H new ATOM 760 N LYS A 49 3.352 -5.607 -3.691 1.00 0.00 N ATOM 761 CA LYS A 49 4.120 -6.288 -4.715 1.00 0.00 C ATOM 762 C LYS A 49 3.663 -7.744 -4.797 1.00 0.00 C ATOM 763 O LYS A 49 4.094 -8.597 -4.031 1.00 0.00 O ATOM 764 CB LYS A 49 5.602 -6.235 -4.341 1.00 0.00 C ATOM 765 CG LYS A 49 6.486 -7.050 -5.286 1.00 0.00 C ATOM 766 CD LYS A 49 6.691 -6.362 -6.636 1.00 0.00 C ATOM 767 CE LYS A 49 5.937 -7.057 -7.769 1.00 0.00 C ATOM 768 NZ LYS A 49 4.490 -6.936 -7.643 1.00 0.00 N ATOM 0 H LYS A 49 3.801 -5.529 -2.779 1.00 0.00 H new ATOM 0 HA LYS A 49 3.969 -5.805 -5.681 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.935 -5.197 -4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.728 -6.606 -3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.455 -7.218 -4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.035 -8.029 -5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.360 -5.326 -6.566 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.755 -6.341 -6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.251 -6.632 -8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.209 -8.113 -7.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.084 -6.655 -8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.089 -7.851 -7.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.263 -6.216 -6.928 1.00 0.00 H new ATOM 782 N PHE A 50 2.768 -7.975 -5.775 1.00 0.00 N ATOM 783 CA PHE A 50 2.285 -9.332 -5.934 1.00 0.00 C ATOM 784 C PHE A 50 2.844 -9.914 -7.231 1.00 0.00 C ATOM 785 O PHE A 50 2.935 -9.249 -8.255 1.00 0.00 O ATOM 786 CB PHE A 50 0.756 -9.343 -5.954 1.00 0.00 C ATOM 787 CG PHE A 50 0.220 -10.735 -6.119 1.00 0.00 C ATOM 788 CD1 PHE A 50 0.894 -11.850 -5.505 1.00 0.00 C ATOM 789 CD2 PHE A 50 -0.973 -10.965 -6.893 1.00 0.00 C ATOM 790 CE1 PHE A 50 0.380 -13.185 -5.663 1.00 0.00 C ATOM 791 CE2 PHE A 50 -1.488 -12.299 -7.053 1.00 0.00 C ATOM 792 CZ PHE A 50 -0.811 -13.408 -6.437 1.00 0.00 C ATOM 0 H PHE A 50 2.393 -7.281 -6.422 1.00 0.00 H new ATOM 0 HA PHE A 50 2.620 -9.943 -5.096 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.376 -8.913 -5.028 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.397 -8.714 -6.769 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.789 -11.684 -4.924 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.483 -10.133 -7.355 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.888 -14.018 -5.201 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.382 -12.467 -7.635 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.198 -14.409 -6.556 1.00 0.00 H new ATOM 802 N GLY A 51 3.218 -11.199 -7.116 1.00 0.00 N ATOM 803 CA GLY A 51 3.729 -11.851 -8.303 1.00 0.00 C ATOM 804 C GLY A 51 2.829 -11.558 -9.500 1.00 0.00 C ATOM 805 O GLY A 51 1.612 -11.477 -9.395 1.00 0.00 O ATOM 0 H GLY A 51 3.177 -11.765 -6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.742 -11.505 -8.508 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.787 -12.927 -8.138 1.00 0.00 H new ATOM 809 N ASN A 52 3.536 -11.403 -10.631 1.00 0.00 N ATOM 810 CA ASN A 52 2.856 -11.136 -11.885 1.00 0.00 C ATOM 811 C ASN A 52 2.414 -9.670 -11.980 1.00 0.00 C ATOM 812 O ASN A 52 2.365 -9.098 -13.062 1.00 0.00 O ATOM 813 CB ASN A 52 1.658 -12.070 -12.069 1.00 0.00 C ATOM 814 CG ASN A 52 1.115 -11.935 -13.493 1.00 0.00 C ATOM 815 OD1 ASN A 52 1.797 -11.483 -14.405 1.00 0.00 O ATOM 816 ND2 ASN A 52 -0.159 -12.350 -13.612 1.00 0.00 N ATOM 0 H ASN A 52 4.553 -11.458 -10.693 1.00 0.00 H new ATOM 0 HA ASN A 52 3.567 -11.326 -12.689 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.956 -13.101 -11.879 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.879 -11.825 -11.347 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.629 -12.301 -14.516 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.655 -12.714 -12.798 1.00 0.00 H new ATOM 823 N ASP A 53 2.104 -9.087 -10.803 1.00 0.00 N ATOM 824 CA ASP A 53 1.702 -7.696 -10.886 1.00 0.00 C ATOM 825 C ASP A 53 1.490 -7.081 -9.500 1.00 0.00 C ATOM 826 O ASP A 53 1.188 -7.750 -8.519 1.00 0.00 O ATOM 827 CB ASP A 53 0.416 -7.575 -11.705 1.00 0.00 C ATOM 828 CG ASP A 53 -0.711 -8.348 -11.018 1.00 0.00 C ATOM 829 OD1 ASP A 53 -1.097 -7.967 -9.914 1.00 0.00 O ATOM 830 OD2 ASP A 53 -1.192 -9.322 -11.596 1.00 0.00 O ATOM 0 H ASP A 53 2.123 -9.516 -9.878 1.00 0.00 H new ATOM 0 HA ASP A 53 2.507 -7.148 -11.375 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.138 -6.526 -11.810 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.576 -7.965 -12.710 1.00 0.00 H new ATOM 835 N VAL A 54 1.666 -5.747 -9.508 1.00 0.00 N ATOM 836 CA VAL A 54 1.435 -5.005 -8.284 1.00 0.00 C ATOM 837 C VAL A 54 -0.069 -4.932 -8.008 1.00 0.00 C ATOM 838 O VAL A 54 -0.860 -4.511 -8.844 1.00 0.00 O ATOM 839 CB VAL A 54 2.024 -3.600 -8.424 1.00 0.00 C ATOM 840 CG1 VAL A 54 1.759 -2.766 -7.171 1.00 0.00 C ATOM 841 CG2 VAL A 54 3.523 -3.669 -8.721 1.00 0.00 C ATOM 0 H VAL A 54 1.954 -5.193 -10.315 1.00 0.00 H new ATOM 0 HA VAL A 54 1.920 -5.508 -7.448 1.00 0.00 H new ATOM 0 HB VAL A 54 1.530 -3.111 -9.264 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.188 -1.772 -7.298 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.684 -2.679 -7.012 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.215 -3.251 -6.308 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.922 -2.659 -8.817 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.032 -4.184 -7.906 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.685 -4.213 -9.652 1.00 0.00 H new ATOM 851 N GLN A 55 -0.402 -5.378 -6.783 1.00 0.00 N ATOM 852 CA GLN A 55 -1.807 -5.407 -6.420 1.00 0.00 C ATOM 853 C GLN A 55 -2.202 -4.078 -5.773 1.00 0.00 C ATOM 854 O GLN A 55 -1.368 -3.280 -5.365 1.00 0.00 O ATOM 855 CB GLN A 55 -2.069 -6.584 -5.481 1.00 0.00 C ATOM 856 CG GLN A 55 -3.542 -6.706 -5.089 1.00 0.00 C ATOM 857 CD GLN A 55 -3.769 -8.002 -4.305 1.00 0.00 C ATOM 858 OE1 GLN A 55 -2.737 -8.329 -3.506 1.00 0.00 O flip ATOM 859 NE2 GLN A 55 -4.799 -8.655 -4.424 1.00 0.00 N flip ATOM 0 H GLN A 55 0.251 -5.704 -6.071 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.418 -5.541 -7.313 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.747 -7.507 -5.963 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.466 -6.467 -4.581 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.838 -5.849 -4.484 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.167 -6.697 -5.982 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.535 -8.336 -5.054 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.920 -9.518 -3.893 1.00 0.00 H new ATOM 868 N HIS A 56 -3.533 -3.893 -5.743 1.00 0.00 N ATOM 869 CA HIS A 56 -4.039 -2.601 -5.316 1.00 0.00 C ATOM 870 C HIS A 56 -5.174 -2.775 -4.302 1.00 0.00 C ATOM 871 O HIS A 56 -6.180 -3.423 -4.561 1.00 0.00 O ATOM 872 CB HIS A 56 -4.542 -1.842 -6.545 1.00 0.00 C ATOM 873 CG HIS A 56 -5.069 -0.487 -6.137 1.00 0.00 C ATOM 874 ND1 HIS A 56 -6.127 0.114 -6.724 1.00 0.00 N ATOM 875 CD2 HIS A 56 -4.582 0.358 -5.126 1.00 0.00 C ATOM 876 CE1 HIS A 56 -6.277 1.290 -6.090 1.00 0.00 C ATOM 877 NE2 HIS A 56 -5.359 1.465 -5.121 1.00 0.00 N ATOM 0 H HIS A 56 -4.236 -4.587 -5.997 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.240 -2.039 -4.833 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.733 -1.724 -7.266 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -5.328 -2.413 -7.039 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -6.695 -0.249 -7.490 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -3.744 0.161 -4.474 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.045 2.011 -6.330 1.00 0.00 H new ATOM 885 N PHE A 57 -4.938 -2.138 -3.140 1.00 0.00 N ATOM 886 CA PHE A 57 -5.969 -2.146 -2.120 1.00 0.00 C ATOM 887 C PHE A 57 -6.330 -0.706 -1.751 1.00 0.00 C ATOM 888 O PHE A 57 -5.490 0.185 -1.737 1.00 0.00 O ATOM 889 CB PHE A 57 -5.471 -2.880 -0.876 1.00 0.00 C ATOM 890 CG PHE A 57 -5.177 -4.326 -1.147 1.00 0.00 C ATOM 891 CD1 PHE A 57 -6.018 -5.092 -2.032 1.00 0.00 C ATOM 892 CD2 PHE A 57 -4.050 -4.962 -0.515 1.00 0.00 C ATOM 893 CE1 PHE A 57 -5.736 -6.480 -2.280 1.00 0.00 C ATOM 894 CE2 PHE A 57 -3.767 -6.351 -0.760 1.00 0.00 C ATOM 895 CZ PHE A 57 -4.611 -7.110 -1.642 1.00 0.00 C ATOM 0 H PHE A 57 -4.082 -1.638 -2.902 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.849 -2.659 -2.507 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.570 -2.392 -0.505 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.221 -2.805 -0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.864 -4.621 -2.511 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.414 -4.393 0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.369 -7.049 -2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.921 -6.823 -0.282 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.401 -8.153 -1.826 1.00 0.00 H new ATOM 905 N LYS A 58 -7.633 -0.543 -1.458 1.00 0.00 N ATOM 906 CA LYS A 58 -8.075 0.788 -1.087 1.00 0.00 C ATOM 907 C LYS A 58 -8.340 0.857 0.417 1.00 0.00 C ATOM 908 O LYS A 58 -9.226 0.201 0.952 1.00 0.00 O ATOM 909 CB LYS A 58 -9.346 1.156 -1.852 1.00 0.00 C ATOM 910 CG LYS A 58 -9.116 1.179 -3.362 1.00 0.00 C ATOM 911 CD LYS A 58 -10.332 1.718 -4.113 1.00 0.00 C ATOM 912 CE LYS A 58 -11.578 0.865 -3.873 1.00 0.00 C ATOM 913 NZ LYS A 58 -11.435 -0.488 -4.397 1.00 0.00 N ATOM 0 H LYS A 58 -8.348 -1.271 -1.471 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.288 1.498 -1.343 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.132 0.439 -1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.697 2.134 -1.523 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.246 1.796 -3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.891 0.171 -3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.528 2.743 -3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.114 1.749 -5.181 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.782 0.818 -2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.438 1.344 -4.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.343 -0.989 -4.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.150 -0.445 -5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.710 -0.997 -3.852 1.00 0.00 H new ATOM 927 N VAL A 59 -7.522 1.716 1.048 1.00 0.00 N ATOM 928 CA VAL A 59 -7.766 1.992 2.449 1.00 0.00 C ATOM 929 C VAL A 59 -8.731 3.174 2.541 1.00 0.00 C ATOM 930 O VAL A 59 -8.362 4.328 2.357 1.00 0.00 O ATOM 931 CB VAL A 59 -6.445 2.313 3.147 1.00 0.00 C ATOM 932 CG1 VAL A 59 -6.653 2.465 4.653 1.00 0.00 C ATOM 933 CG2 VAL A 59 -5.402 1.237 2.846 1.00 0.00 C ATOM 0 H VAL A 59 -6.730 2.202 0.627 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.205 1.125 2.942 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.074 3.262 2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.700 2.693 5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.357 3.275 4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.050 1.536 5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.468 1.484 3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.763 0.271 3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.230 1.188 1.771 1.00 0.00 H new ATOM 943 N LEU A 60 -9.995 2.799 2.800 1.00 0.00 N ATOM 944 CA LEU A 60 -11.043 3.779 2.625 1.00 0.00 C ATOM 945 C LEU A 60 -11.175 4.692 3.846 1.00 0.00 C ATOM 946 O LEU A 60 -10.839 4.346 4.974 1.00 0.00 O ATOM 947 CB LEU A 60 -12.347 3.054 2.310 1.00 0.00 C ATOM 948 CG LEU A 60 -12.185 2.125 1.105 1.00 0.00 C ATOM 949 CD1 LEU A 60 -13.479 1.372 0.808 1.00 0.00 C ATOM 950 CD2 LEU A 60 -11.726 2.903 -0.130 1.00 0.00 C ATOM 0 H LEU A 60 -10.291 1.875 3.113 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.789 4.432 1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.664 2.476 3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.132 3.783 2.108 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.417 1.394 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.331 0.721 -0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.757 0.771 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.274 2.086 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.619 2.219 -0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.465 3.666 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.767 3.379 0.075 1.00 0.00 H new ATOM 962 N ARG A 61 -11.668 5.891 3.481 1.00 0.00 N ATOM 963 CA ARG A 61 -11.766 7.041 4.365 1.00 0.00 C ATOM 964 C ARG A 61 -11.116 6.809 5.739 1.00 0.00 C ATOM 965 O ARG A 61 -9.943 6.472 5.845 1.00 0.00 O ATOM 966 CB ARG A 61 -13.214 7.545 4.435 1.00 0.00 C ATOM 967 CG ARG A 61 -14.202 6.495 4.940 1.00 0.00 C ATOM 968 CD ARG A 61 -15.619 7.070 5.006 1.00 0.00 C ATOM 969 NE ARG A 61 -16.501 6.194 5.755 1.00 0.00 N ATOM 970 CZ ARG A 61 -16.779 4.973 5.266 1.00 0.00 C ATOM 971 NH1 ARG A 61 -16.257 4.585 4.108 1.00 0.00 N ATOM 972 NH2 ARG A 61 -17.575 4.151 5.944 1.00 0.00 N ATOM 0 H ARG A 61 -12.014 6.079 2.540 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.172 7.845 3.931 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.256 8.416 5.089 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.523 7.876 3.444 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.187 5.628 4.280 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.899 6.149 5.928 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.595 8.054 5.474 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.007 7.207 3.997 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.904 6.501 6.640 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.644 5.214 3.589 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.469 3.658 3.738 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.974 4.447 6.835 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.786 3.225 5.573 1.00 0.00 H new ATOM 986 N ASP A 62 -11.932 7.089 6.773 1.00 0.00 N ATOM 987 CA ASP A 62 -11.365 7.326 8.090 1.00 0.00 C ATOM 988 C ASP A 62 -12.437 7.854 9.058 1.00 0.00 C ATOM 989 O ASP A 62 -12.456 7.519 10.236 1.00 0.00 O ATOM 990 CB ASP A 62 -10.240 8.355 7.977 1.00 0.00 C ATOM 991 CG ASP A 62 -9.600 8.576 9.349 1.00 0.00 C ATOM 992 OD1 ASP A 62 -9.480 7.610 10.102 1.00 0.00 O ATOM 993 OD2 ASP A 62 -9.236 9.711 9.651 1.00 0.00 O ATOM 0 H ASP A 62 -12.948 7.153 6.716 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.977 6.384 8.477 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.489 8.010 7.267 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.633 9.296 7.593 1.00 0.00 H new ATOM 998 N GLY A 63 -13.316 8.702 8.488 1.00 0.00 N ATOM 999 CA GLY A 63 -14.356 9.305 9.302 1.00 0.00 C ATOM 1000 C GLY A 63 -14.892 8.313 10.338 1.00 0.00 C ATOM 1001 O GLY A 63 -14.347 8.153 11.424 1.00 0.00 O ATOM 0 H GLY A 63 -13.319 8.969 7.504 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -13.961 10.186 9.808 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -15.171 9.644 8.663 1.00 0.00 H new ATOM 1005 N ALA A 64 -16.005 7.676 9.931 1.00 0.00 N ATOM 1006 CA ALA A 64 -16.609 6.716 10.834 1.00 0.00 C ATOM 1007 C ALA A 64 -16.141 5.307 10.464 1.00 0.00 C ATOM 1008 O ALA A 64 -15.723 4.520 11.305 1.00 0.00 O ATOM 1009 CB ALA A 64 -18.133 6.807 10.743 1.00 0.00 C ATOM 0 H ALA A 64 -16.473 7.805 9.034 1.00 0.00 H new ATOM 0 HA ALA A 64 -16.306 6.937 11.857 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -18.582 6.084 11.424 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.455 7.812 11.018 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -18.450 6.591 9.723 1.00 0.00 H new ATOM 1015 N GLY A 65 -16.225 5.061 9.145 1.00 0.00 N ATOM 1016 CA GLY A 65 -15.720 3.792 8.648 1.00 0.00 C ATOM 1017 C GLY A 65 -14.218 3.574 8.938 1.00 0.00 C ATOM 1018 O GLY A 65 -13.681 2.505 8.675 1.00 0.00 O ATOM 0 H GLY A 65 -16.617 5.692 8.446 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.291 2.980 9.099 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.886 3.739 7.572 1.00 0.00 H new ATOM 1022 N LYS A 66 -13.570 4.624 9.482 1.00 0.00 N ATOM 1023 CA LYS A 66 -12.153 4.487 9.752 1.00 0.00 C ATOM 1024 C LYS A 66 -11.445 4.031 8.476 1.00 0.00 C ATOM 1025 O LYS A 66 -11.904 4.278 7.366 1.00 0.00 O ATOM 1026 CB LYS A 66 -11.938 3.500 10.902 1.00 0.00 C ATOM 1027 CG LYS A 66 -12.684 3.941 12.163 1.00 0.00 C ATOM 1028 CD LYS A 66 -12.362 3.073 13.383 1.00 0.00 C ATOM 1029 CE LYS A 66 -12.847 1.631 13.231 1.00 0.00 C ATOM 1030 NZ LYS A 66 -12.028 0.863 12.302 1.00 0.00 N ATOM 0 H LYS A 66 -13.989 5.522 9.726 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.731 5.445 10.056 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.281 2.510 10.602 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.873 3.417 11.118 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.431 4.978 12.385 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.757 3.909 11.974 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.285 3.073 13.549 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.821 3.514 14.268 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.839 1.144 14.206 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.880 1.633 12.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.112 -0.150 12.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.353 1.035 11.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.034 1.156 12.392 1.00 0.00 H new ATOM 1044 N TYR A 67 -10.307 3.353 8.705 1.00 0.00 N ATOM 1045 CA TYR A 67 -9.593 2.836 7.555 1.00 0.00 C ATOM 1046 C TYR A 67 -9.966 1.371 7.357 1.00 0.00 C ATOM 1047 O TYR A 67 -9.891 0.558 8.270 1.00 0.00 O ATOM 1048 CB TYR A 67 -8.085 2.968 7.766 1.00 0.00 C ATOM 1049 CG TYR A 67 -7.686 4.401 7.955 1.00 0.00 C ATOM 1050 CD1 TYR A 67 -7.723 5.318 6.845 1.00 0.00 C ATOM 1051 CD2 TYR A 67 -7.262 4.868 9.250 1.00 0.00 C ATOM 1052 CE1 TYR A 67 -7.339 6.693 7.027 1.00 0.00 C ATOM 1053 CE2 TYR A 67 -6.878 6.243 9.435 1.00 0.00 C ATOM 1054 CZ TYR A 67 -6.915 7.154 8.323 1.00 0.00 C ATOM 1055 OH TYR A 67 -6.546 8.473 8.499 1.00 0.00 O ATOM 0 H TYR A 67 -9.893 3.165 9.618 1.00 0.00 H new ATOM 0 HA TYR A 67 -9.868 3.408 6.669 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.785 2.387 8.638 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.557 2.551 6.908 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.040 4.972 5.872 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.232 4.184 10.085 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.369 7.378 6.192 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.562 6.590 10.408 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.288 8.619 9.433 1.00 0.00 H new ATOM 1065 N PHE A 68 -10.383 1.091 6.112 1.00 0.00 N ATOM 1066 CA PHE A 68 -10.784 -0.282 5.866 1.00 0.00 C ATOM 1067 C PHE A 68 -10.704 -0.601 4.369 1.00 0.00 C ATOM 1068 O PHE A 68 -10.814 0.271 3.516 1.00 0.00 O ATOM 1069 CB PHE A 68 -12.209 -0.494 6.383 1.00 0.00 C ATOM 1070 CG PHE A 68 -13.217 0.283 5.589 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -13.385 1.695 5.813 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -14.026 -0.381 4.600 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -14.356 2.440 5.056 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -14.999 0.360 3.841 1.00 0.00 C ATOM 1075 CZ PHE A 68 -15.163 1.771 4.070 1.00 0.00 C ATOM 0 H PHE A 68 -10.446 1.740 5.328 1.00 0.00 H new ATOM 0 HA PHE A 68 -10.108 -0.955 6.393 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.455 -1.555 6.342 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -12.263 -0.194 7.430 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.779 2.198 6.553 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -13.902 -1.440 4.427 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.479 3.499 5.228 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -15.605 -0.142 3.101 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.892 2.329 3.501 1.00 0.00 H new ATOM 1085 N LEU A 69 -10.503 -1.907 4.115 1.00 0.00 N ATOM 1086 CA LEU A 69 -10.422 -2.324 2.728 1.00 0.00 C ATOM 1087 C LEU A 69 -11.793 -2.810 2.245 1.00 0.00 C ATOM 1088 O LEU A 69 -12.236 -2.500 1.147 1.00 0.00 O ATOM 1089 CB LEU A 69 -9.393 -3.447 2.559 1.00 0.00 C ATOM 1090 CG LEU A 69 -7.979 -3.048 2.983 1.00 0.00 C ATOM 1091 CD1 LEU A 69 -7.846 -3.062 4.500 1.00 0.00 C ATOM 1092 CD2 LEU A 69 -6.946 -3.999 2.378 1.00 0.00 C ATOM 0 H LEU A 69 -10.401 -2.643 4.813 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.109 -1.467 2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.709 -4.310 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.376 -3.759 1.515 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.796 -2.038 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.832 -2.775 4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.555 -2.357 4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.055 -4.064 4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.947 -3.698 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.143 -5.015 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.011 -3.963 1.291 1.00 0.00 H new ATOM 1104 N TRP A 70 -12.431 -3.592 3.139 1.00 0.00 N ATOM 1105 CA TRP A 70 -13.719 -4.143 2.767 1.00 0.00 C ATOM 1106 C TRP A 70 -14.686 -4.071 3.952 1.00 0.00 C ATOM 1107 O TRP A 70 -15.564 -3.221 4.017 1.00 0.00 O ATOM 1108 CB TRP A 70 -13.553 -5.595 2.314 1.00 0.00 C ATOM 1109 CG TRP A 70 -12.648 -5.650 1.106 1.00 0.00 C ATOM 1110 CD1 TRP A 70 -11.254 -5.782 1.125 1.00 0.00 C ATOM 1111 CD2 TRP A 70 -13.041 -5.578 -0.277 1.00 0.00 C ATOM 1112 NE1 TRP A 70 -10.772 -5.796 -0.145 1.00 0.00 N ATOM 1113 CE2 TRP A 70 -11.812 -5.675 -1.057 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -14.291 -5.443 -0.929 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -11.861 -5.636 -2.472 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -14.347 -5.403 -2.370 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -13.131 -5.498 -3.142 1.00 0.00 C ATOM 0 H TRP A 70 -12.089 -3.838 4.068 1.00 0.00 H new ATOM 0 HA TRP A 70 -14.129 -3.558 1.944 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -13.133 -6.193 3.123 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -14.525 -6.024 2.072 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -10.651 -5.861 2.018 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -9.787 -5.883 -0.393 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -15.199 -5.370 -0.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -10.950 -5.709 -3.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -15.298 -5.302 -2.871 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -13.172 -5.466 -4.221 1.00 0.00 H new ATOM 1128 N VAL A 71 -14.474 -5.034 4.866 1.00 0.00 N ATOM 1129 CA VAL A 71 -15.375 -5.119 5.999 1.00 0.00 C ATOM 1130 C VAL A 71 -14.675 -4.588 7.252 1.00 0.00 C ATOM 1131 O VAL A 71 -14.809 -3.430 7.629 1.00 0.00 O ATOM 1132 CB VAL A 71 -15.807 -6.574 6.201 1.00 0.00 C ATOM 1133 CG1 VAL A 71 -16.635 -6.734 7.476 1.00 0.00 C ATOM 1134 CG2 VAL A 71 -16.580 -7.082 4.983 1.00 0.00 C ATOM 0 H VAL A 71 -13.724 -5.725 4.838 1.00 0.00 H new ATOM 0 HA VAL A 71 -16.261 -4.513 5.811 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.907 -7.178 6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -16.927 -7.778 7.592 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -16.041 -6.426 8.337 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -17.528 -6.113 7.410 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -16.878 -8.118 5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -17.468 -6.468 4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -15.946 -7.023 4.099 1.00 0.00 H new ATOM 1144 N VAL A 72 -13.934 -5.523 7.871 1.00 0.00 N ATOM 1145 CA VAL A 72 -13.251 -5.171 9.096 1.00 0.00 C ATOM 1146 C VAL A 72 -12.479 -3.864 8.904 1.00 0.00 C ATOM 1147 O VAL A 72 -11.761 -3.673 7.931 1.00 0.00 O ATOM 1148 CB VAL A 72 -12.310 -6.311 9.480 1.00 0.00 C ATOM 1149 CG1 VAL A 72 -13.100 -7.610 9.649 1.00 0.00 C ATOM 1150 CG2 VAL A 72 -11.206 -6.475 8.438 1.00 0.00 C ATOM 0 H VAL A 72 -13.804 -6.483 7.550 1.00 0.00 H new ATOM 0 HA VAL A 72 -13.973 -5.020 9.899 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.837 -6.068 10.431 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.420 -8.417 9.923 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.846 -7.483 10.433 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.598 -7.858 8.711 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.547 -7.292 8.731 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -11.651 -6.698 7.468 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.630 -5.552 8.369 1.00 0.00 H new ATOM 1160 N LYS A 73 -12.698 -2.978 9.892 1.00 0.00 N ATOM 1161 CA LYS A 73 -12.088 -1.668 9.777 1.00 0.00 C ATOM 1162 C LYS A 73 -10.863 -1.573 10.682 1.00 0.00 C ATOM 1163 O LYS A 73 -10.494 -2.511 11.380 1.00 0.00 O ATOM 1164 CB LYS A 73 -13.106 -0.592 10.152 1.00 0.00 C ATOM 1165 CG LYS A 73 -14.346 -0.664 9.266 1.00 0.00 C ATOM 1166 CD LYS A 73 -15.456 0.271 9.750 1.00 0.00 C ATOM 1167 CE LYS A 73 -16.700 0.186 8.865 1.00 0.00 C ATOM 1168 NZ LYS A 73 -16.446 0.645 7.504 1.00 0.00 N ATOM 0 H LYS A 73 -13.260 -3.141 10.727 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.769 -1.514 8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.396 -0.712 11.196 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.648 0.393 10.059 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.075 -0.405 8.243 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.718 -1.688 9.247 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.723 0.017 10.776 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.088 1.297 9.761 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.054 -0.845 8.838 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.497 0.785 9.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.124 1.394 7.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.478 1.019 7.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.555 -0.151 6.843 1.00 0.00 H new ATOM 1182 N PHE A 74 -10.257 -0.374 10.611 1.00 0.00 N ATOM 1183 CA PHE A 74 -9.026 -0.204 11.365 1.00 0.00 C ATOM 1184 C PHE A 74 -8.889 1.261 11.785 1.00 0.00 C ATOM 1185 O PHE A 74 -9.087 2.179 10.999 1.00 0.00 O ATOM 1186 CB PHE A 74 -7.786 -0.632 10.559 1.00 0.00 C ATOM 1187 CG PHE A 74 -7.976 -1.921 9.805 1.00 0.00 C ATOM 1188 CD1 PHE A 74 -7.845 -3.184 10.485 1.00 0.00 C ATOM 1189 CD2 PHE A 74 -8.313 -1.901 8.405 1.00 0.00 C ATOM 1190 CE1 PHE A 74 -8.052 -4.416 9.773 1.00 0.00 C ATOM 1191 CE2 PHE A 74 -8.524 -3.132 7.692 1.00 0.00 C ATOM 1192 CZ PHE A 74 -8.392 -4.390 8.376 1.00 0.00 C ATOM 0 H PHE A 74 -10.579 0.433 10.076 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.081 -0.847 12.243 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.531 0.158 9.853 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.940 -0.739 11.238 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.590 -3.206 11.534 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.408 -0.957 7.888 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.952 -5.360 10.287 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.781 -3.112 6.643 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.548 -5.315 7.841 1.00 0.00 H new ATOM 1202 N ASN A 75 -8.548 1.410 13.076 1.00 0.00 N ATOM 1203 CA ASN A 75 -8.428 2.762 13.603 1.00 0.00 C ATOM 1204 C ASN A 75 -7.217 3.536 13.039 1.00 0.00 C ATOM 1205 O ASN A 75 -7.053 4.718 13.316 1.00 0.00 O ATOM 1206 CB ASN A 75 -8.351 2.716 15.134 1.00 0.00 C ATOM 1207 CG ASN A 75 -7.022 2.129 15.633 1.00 0.00 C ATOM 1208 OD1 ASN A 75 -6.350 1.414 14.712 1.00 0.00 O flip ATOM 1209 ND2 ASN A 75 -6.635 2.320 16.780 1.00 0.00 N flip ATOM 0 H ASN A 75 -8.362 0.654 13.735 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.318 3.303 13.282 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.473 3.723 15.532 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.177 2.119 15.519 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.200 2.874 17.423 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.748 1.925 17.091 1.00 0.00 H new ATOM 1216 N SER A 76 -6.388 2.832 12.243 1.00 0.00 N ATOM 1217 CA SER A 76 -5.235 3.519 11.694 1.00 0.00 C ATOM 1218 C SER A 76 -4.596 2.664 10.599 1.00 0.00 C ATOM 1219 O SER A 76 -4.638 1.440 10.628 1.00 0.00 O ATOM 1220 CB SER A 76 -4.218 3.792 12.804 1.00 0.00 C ATOM 1221 OG SER A 76 -4.787 4.579 13.819 1.00 0.00 O ATOM 0 H SER A 76 -6.494 1.851 11.986 1.00 0.00 H new ATOM 0 HA SER A 76 -5.554 4.468 11.263 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.868 2.849 13.222 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.347 4.300 12.389 1.00 0.00 H new ATOM 0 HG SER A 76 -5.577 5.042 13.470 1.00 0.00 H new ATOM 1227 N LEU A 77 -4.007 3.393 9.633 1.00 0.00 N ATOM 1228 CA LEU A 77 -3.322 2.682 8.569 1.00 0.00 C ATOM 1229 C LEU A 77 -2.451 1.572 9.163 1.00 0.00 C ATOM 1230 O LEU A 77 -2.441 0.438 8.699 1.00 0.00 O ATOM 1231 CB LEU A 77 -2.444 3.652 7.778 1.00 0.00 C ATOM 1232 CG LEU A 77 -3.253 4.798 7.174 1.00 0.00 C ATOM 1233 CD1 LEU A 77 -2.338 5.770 6.430 1.00 0.00 C ATOM 1234 CD2 LEU A 77 -4.337 4.255 6.245 1.00 0.00 C ATOM 0 H LEU A 77 -3.995 4.411 9.575 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.063 2.241 7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.673 4.059 8.433 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.933 3.111 6.982 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.738 5.342 7.984 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.934 6.579 6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.605 6.183 7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.822 5.242 5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.904 5.085 5.823 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.874 3.685 5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.008 3.607 6.809 1.00 0.00 H new ATOM 1246 N ASN A 78 -1.731 1.984 10.221 1.00 0.00 N ATOM 1247 CA ASN A 78 -0.865 1.030 10.883 1.00 0.00 C ATOM 1248 C ASN A 78 -1.652 -0.214 11.291 1.00 0.00 C ATOM 1249 O ASN A 78 -1.184 -1.339 11.165 1.00 0.00 O ATOM 1250 CB ASN A 78 -0.282 1.662 12.142 1.00 0.00 C ATOM 1251 CG ASN A 78 0.712 0.700 12.796 1.00 0.00 C ATOM 1252 OD1 ASN A 78 1.290 -0.169 12.154 1.00 0.00 O ATOM 1253 ND2 ASN A 78 0.859 0.913 14.116 1.00 0.00 N ATOM 0 H ASN A 78 -1.736 2.926 10.611 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.071 0.749 10.192 1.00 0.00 H new ATOM 0 HB2 ASN A 78 0.216 2.599 11.892 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.082 1.903 12.842 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.492 0.326 14.660 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.338 1.661 14.573 1.00 0.00 H new ATOM 1260 N GLU A 79 -2.867 0.056 11.799 1.00 0.00 N ATOM 1261 CA GLU A 79 -3.653 -1.079 12.242 1.00 0.00 C ATOM 1262 C GLU A 79 -3.999 -2.004 11.060 1.00 0.00 C ATOM 1263 O GLU A 79 -4.099 -3.216 11.211 1.00 0.00 O ATOM 1264 CB GLU A 79 -4.918 -0.580 12.936 1.00 0.00 C ATOM 1265 CG GLU A 79 -5.808 -1.734 13.396 1.00 0.00 C ATOM 1266 CD GLU A 79 -5.047 -2.614 14.390 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -4.122 -2.113 15.029 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -5.384 -3.791 14.511 1.00 0.00 O ATOM 0 H GLU A 79 -3.290 0.978 11.904 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.067 -1.663 12.951 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.643 0.032 13.795 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.477 0.061 12.254 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.713 -1.344 13.861 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.122 -2.328 12.537 1.00 0.00 H new ATOM 1275 N LEU A 80 -4.153 -1.369 9.881 1.00 0.00 N ATOM 1276 CA LEU A 80 -4.355 -2.165 8.688 1.00 0.00 C ATOM 1277 C LEU A 80 -3.107 -3.018 8.460 1.00 0.00 C ATOM 1278 O LEU A 80 -3.168 -4.228 8.278 1.00 0.00 O ATOM 1279 CB LEU A 80 -4.594 -1.231 7.499 1.00 0.00 C ATOM 1280 CG LEU A 80 -5.057 -1.953 6.229 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -5.516 -0.930 5.188 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -3.967 -2.844 5.630 1.00 0.00 C ATOM 0 H LEU A 80 -4.141 -0.358 9.745 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.221 -2.817 8.799 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.342 -0.488 7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.673 -0.690 7.283 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.887 -2.600 6.512 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.844 -1.449 4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.343 -0.346 5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.688 -0.265 4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.348 -3.332 4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.100 -2.235 5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.675 -3.601 6.358 1.00 0.00 H new ATOM 1294 N VAL A 81 -1.975 -2.293 8.490 1.00 0.00 N ATOM 1295 CA VAL A 81 -0.709 -2.970 8.293 1.00 0.00 C ATOM 1296 C VAL A 81 -0.575 -4.116 9.300 1.00 0.00 C ATOM 1297 O VAL A 81 -0.710 -5.286 8.971 1.00 0.00 O ATOM 1298 CB VAL A 81 0.434 -1.967 8.465 1.00 0.00 C ATOM 1299 CG1 VAL A 81 1.792 -2.657 8.331 1.00 0.00 C ATOM 1300 CG2 VAL A 81 0.306 -0.827 7.456 1.00 0.00 C ATOM 0 H VAL A 81 -1.921 -1.286 8.642 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.665 -3.386 7.286 1.00 0.00 H new ATOM 0 HB VAL A 81 0.367 -1.547 9.468 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.587 -1.922 8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.885 -3.428 9.096 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.873 -3.113 7.344 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.128 -0.125 7.595 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.341 -1.231 6.444 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.642 -0.311 7.608 1.00 0.00 H new ATOM 1310 N ASP A 82 -0.295 -3.683 10.542 1.00 0.00 N ATOM 1311 CA ASP A 82 -0.117 -4.636 11.624 1.00 0.00 C ATOM 1312 C ASP A 82 -1.035 -5.852 11.451 1.00 0.00 C ATOM 1313 O ASP A 82 -0.620 -6.997 11.585 1.00 0.00 O ATOM 1314 CB ASP A 82 -0.429 -3.948 12.953 1.00 0.00 C ATOM 1315 CG ASP A 82 -0.191 -4.919 14.111 1.00 0.00 C ATOM 1316 OD1 ASP A 82 0.647 -5.809 13.968 1.00 0.00 O ATOM 1317 OD2 ASP A 82 -0.850 -4.778 15.139 1.00 0.00 O ATOM 0 H ASP A 82 -0.191 -2.703 10.806 1.00 0.00 H new ATOM 0 HA ASP A 82 0.915 -4.985 11.611 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.200 -3.066 13.072 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.464 -3.606 12.961 1.00 0.00 H new ATOM 1322 N TYR A 83 -2.307 -5.525 11.166 1.00 0.00 N ATOM 1323 CA TYR A 83 -3.290 -6.594 11.150 1.00 0.00 C ATOM 1324 C TYR A 83 -3.115 -7.514 9.932 1.00 0.00 C ATOM 1325 O TYR A 83 -3.373 -8.710 9.997 1.00 0.00 O ATOM 1326 CB TYR A 83 -4.698 -5.998 11.174 1.00 0.00 C ATOM 1327 CG TYR A 83 -5.739 -7.066 11.341 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -5.926 -7.701 12.620 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -6.557 -7.464 10.225 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -6.923 -8.725 12.784 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -7.556 -8.489 10.385 1.00 0.00 C ATOM 1332 CZ TYR A 83 -7.737 -9.118 11.666 1.00 0.00 C ATOM 1333 OH TYR A 83 -8.694 -10.102 11.820 1.00 0.00 O ATOM 0 H TYR A 83 -2.653 -4.589 10.957 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.139 -7.206 12.039 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.777 -5.279 11.990 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.880 -5.451 10.249 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -5.315 -7.407 13.460 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.421 -6.992 9.263 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -7.060 -9.198 13.745 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.168 -8.785 9.545 1.00 0.00 H new ATOM 0 HH TYR A 83 -9.156 -10.246 10.968 1.00 0.00 H new ATOM 1343 N HIS A 84 -2.662 -6.894 8.825 1.00 0.00 N ATOM 1344 CA HIS A 84 -2.499 -7.694 7.621 1.00 0.00 C ATOM 1345 C HIS A 84 -1.043 -8.150 7.387 1.00 0.00 C ATOM 1346 O HIS A 84 -0.780 -8.934 6.483 1.00 0.00 O ATOM 1347 CB HIS A 84 -2.991 -6.907 6.406 1.00 0.00 C ATOM 1348 CG HIS A 84 -4.486 -6.715 6.503 1.00 0.00 C ATOM 1349 ND1 HIS A 84 -5.136 -5.611 6.077 1.00 0.00 N ATOM 1350 CD2 HIS A 84 -5.430 -7.612 7.028 1.00 0.00 C ATOM 1351 CE1 HIS A 84 -6.438 -5.833 6.334 1.00 0.00 C ATOM 1352 NE2 HIS A 84 -6.646 -7.031 6.908 1.00 0.00 N ATOM 0 H HIS A 84 -2.419 -5.906 8.748 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.096 -8.595 7.760 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.491 -5.939 6.359 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -2.741 -7.440 5.488 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -5.224 -8.585 7.449 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.225 -5.130 6.106 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.542 -7.424 7.196 1.00 0.00 H new ATOM 1360 N ARG A 85 -0.117 -7.642 8.225 1.00 0.00 N ATOM 1361 CA ARG A 85 1.252 -8.088 8.039 1.00 0.00 C ATOM 1362 C ARG A 85 1.477 -9.440 8.730 1.00 0.00 C ATOM 1363 O ARG A 85 2.518 -9.688 9.327 1.00 0.00 O ATOM 1364 CB ARG A 85 2.209 -7.038 8.601 1.00 0.00 C ATOM 1365 CG ARG A 85 1.979 -6.792 10.091 1.00 0.00 C ATOM 1366 CD ARG A 85 2.976 -5.785 10.664 1.00 0.00 C ATOM 1367 NE ARG A 85 4.330 -6.289 10.525 1.00 0.00 N ATOM 1368 CZ ARG A 85 4.776 -7.197 11.414 1.00 0.00 C ATOM 1369 NH1 ARG A 85 3.987 -7.619 12.398 1.00 0.00 N ATOM 1370 NH2 ARG A 85 6.013 -7.675 11.306 1.00 0.00 N ATOM 0 H ARG A 85 -0.283 -6.974 8.978 1.00 0.00 H new ATOM 0 HA ARG A 85 1.443 -8.216 6.974 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.237 -7.363 8.442 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.082 -6.103 8.055 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.964 -6.426 10.246 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.064 -7.735 10.632 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.880 -4.831 10.146 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.755 -5.600 11.715 1.00 0.00 H new ATOM 0 HE ARG A 85 4.932 -5.962 9.769 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.038 -7.255 12.483 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.331 -8.307 13.068 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.620 -7.354 10.552 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.354 -8.363 11.977 1.00 0.00 H new ATOM 1384 N SER A 86 0.437 -10.288 8.614 1.00 0.00 N ATOM 1385 CA SER A 86 0.540 -11.597 9.229 1.00 0.00 C ATOM 1386 C SER A 86 -0.286 -12.606 8.428 1.00 0.00 C ATOM 1387 O SER A 86 0.238 -13.451 7.714 1.00 0.00 O ATOM 1388 CB SER A 86 0.048 -11.529 10.675 1.00 0.00 C ATOM 1389 OG SER A 86 -1.292 -11.111 10.729 1.00 0.00 O ATOM 0 H SER A 86 -0.436 -10.093 8.124 1.00 0.00 H new ATOM 0 HA SER A 86 1.581 -11.919 9.231 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.147 -12.508 11.144 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.672 -10.839 11.244 1.00 0.00 H new ATOM 0 HG SER A 86 -1.586 -11.076 11.663 1.00 0.00 H new ATOM 1395 N THR A 87 -1.612 -12.460 8.608 1.00 0.00 N ATOM 1396 CA THR A 87 -2.508 -13.377 7.930 1.00 0.00 C ATOM 1397 C THR A 87 -2.786 -12.912 6.494 1.00 0.00 C ATOM 1398 O THR A 87 -3.896 -13.028 5.988 1.00 0.00 O ATOM 1399 CB THR A 87 -3.817 -13.469 8.712 1.00 0.00 C ATOM 1400 OG1 THR A 87 -4.438 -12.210 8.732 1.00 0.00 O ATOM 1401 CG2 THR A 87 -3.585 -13.943 10.148 1.00 0.00 C ATOM 0 H THR A 87 -2.057 -11.750 9.189 1.00 0.00 H new ATOM 0 HA THR A 87 -2.037 -14.359 7.881 1.00 0.00 H new ATOM 0 HB THR A 87 -4.456 -14.199 8.215 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.279 -12.268 9.232 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.539 -13.996 10.672 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.123 -14.930 10.135 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.927 -13.241 10.661 1.00 0.00 H new ATOM 1409 N SER A 88 -1.714 -12.384 5.875 1.00 0.00 N ATOM 1410 CA SER A 88 -1.864 -11.968 4.492 1.00 0.00 C ATOM 1411 C SER A 88 -3.126 -11.112 4.339 1.00 0.00 C ATOM 1412 O SER A 88 -3.743 -10.693 5.310 1.00 0.00 O ATOM 1413 CB SER A 88 -1.937 -13.210 3.603 1.00 0.00 C ATOM 1414 OG SER A 88 -2.093 -12.859 2.252 1.00 0.00 O ATOM 0 H SER A 88 -0.792 -12.246 6.289 1.00 0.00 H new ATOM 0 HA SER A 88 -1.008 -11.365 4.189 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.030 -13.802 3.725 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.771 -13.837 3.917 1.00 0.00 H new ATOM 0 HG SER A 88 -2.836 -13.368 1.866 1.00 0.00 H new ATOM 1420 N VAL A 89 -3.461 -10.886 3.055 1.00 0.00 N ATOM 1421 CA VAL A 89 -4.618 -10.052 2.787 1.00 0.00 C ATOM 1422 C VAL A 89 -5.247 -10.435 1.440 1.00 0.00 C ATOM 1423 O VAL A 89 -5.622 -9.590 0.635 1.00 0.00 O ATOM 1424 CB VAL A 89 -4.195 -8.581 2.796 1.00 0.00 C ATOM 1425 CG1 VAL A 89 -3.187 -8.294 1.682 1.00 0.00 C ATOM 1426 CG2 VAL A 89 -5.405 -7.649 2.697 1.00 0.00 C ATOM 0 H VAL A 89 -2.972 -11.251 2.238 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.368 -10.207 3.563 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.707 -8.384 3.751 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.903 -7.242 1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.301 -8.913 1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.638 -8.522 0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.068 -6.613 2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.942 -7.848 1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.068 -7.822 3.545 1.00 0.00 H new ATOM 1436 N SER A 90 -5.336 -11.765 1.257 1.00 0.00 N ATOM 1437 CA SER A 90 -5.960 -12.275 0.051 1.00 0.00 C ATOM 1438 C SER A 90 -5.901 -13.800 0.074 1.00 0.00 C ATOM 1439 O SER A 90 -4.837 -14.402 -0.002 1.00 0.00 O ATOM 1440 CB SER A 90 -5.223 -11.765 -1.185 1.00 0.00 C ATOM 1441 OG SER A 90 -5.934 -12.085 -2.354 1.00 0.00 O ATOM 0 H SER A 90 -4.995 -12.472 1.908 1.00 0.00 H new ATOM 0 HA SER A 90 -6.995 -11.934 0.011 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.092 -10.685 -1.117 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.226 -12.205 -1.228 1.00 0.00 H new ATOM 0 HG SER A 90 -5.447 -11.749 -3.135 1.00 0.00 H new ATOM 1447 N ARG A 91 -7.105 -14.383 0.209 1.00 0.00 N ATOM 1448 CA ARG A 91 -7.123 -15.827 0.403 1.00 0.00 C ATOM 1449 C ARG A 91 -6.356 -16.277 1.672 1.00 0.00 C ATOM 1450 O ARG A 91 -6.279 -17.464 1.960 1.00 0.00 O ATOM 1451 CB ARG A 91 -6.536 -16.503 -0.835 1.00 0.00 C ATOM 1452 CG ARG A 91 -7.273 -16.079 -2.106 1.00 0.00 C ATOM 1453 CD ARG A 91 -6.644 -16.684 -3.360 1.00 0.00 C ATOM 1454 NE ARG A 91 -6.692 -18.132 -3.295 1.00 0.00 N ATOM 1455 CZ ARG A 91 -6.331 -18.841 -4.382 1.00 0.00 C ATOM 1456 NH1 ARG A 91 -5.938 -18.217 -5.490 1.00 0.00 N ATOM 1457 NH2 ARG A 91 -6.369 -20.170 -4.349 1.00 0.00 N ATOM 0 H ARG A 91 -8.010 -13.913 0.189 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.161 -16.127 0.548 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.480 -16.249 -0.923 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.595 -17.586 -0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.317 -16.386 -2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.265 -14.992 -2.184 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.174 -16.335 -4.246 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.610 -16.351 -3.454 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.993 -18.604 -2.443 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.909 -17.198 -5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.666 -18.758 -6.311 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.671 -20.651 -3.502 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.096 -20.709 -5.171 1.00 0.00 H new ATOM 1471 N ASN A 92 -5.808 -15.282 2.406 1.00 0.00 N ATOM 1472 CA ASN A 92 -5.109 -15.567 3.648 1.00 0.00 C ATOM 1473 C ASN A 92 -4.052 -16.665 3.468 1.00 0.00 C ATOM 1474 O ASN A 92 -3.808 -17.471 4.358 1.00 0.00 O ATOM 1475 CB ASN A 92 -6.102 -15.937 4.750 1.00 0.00 C ATOM 1476 CG ASN A 92 -6.773 -17.280 4.463 1.00 0.00 C ATOM 1477 OD1 ASN A 92 -7.956 -17.154 3.836 1.00 0.00 O flip ATOM 1478 ND2 ASN A 92 -6.260 -18.343 4.790 1.00 0.00 N flip ATOM 0 H ASN A 92 -5.843 -14.295 2.153 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.583 -14.660 3.947 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -5.585 -15.984 5.708 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -6.861 -15.159 4.835 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.357 -18.349 5.264 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.736 -19.222 4.589 1.00 0.00 H new ATOM 1485 N GLN A 93 -3.435 -16.633 2.272 1.00 0.00 N ATOM 1486 CA GLN A 93 -2.343 -17.561 2.050 1.00 0.00 C ATOM 1487 C GLN A 93 -1.604 -17.223 0.752 1.00 0.00 C ATOM 1488 O GLN A 93 -1.484 -18.044 -0.150 1.00 0.00 O ATOM 1489 CB GLN A 93 -2.881 -18.991 2.003 1.00 0.00 C ATOM 1490 CG GLN A 93 -3.869 -19.211 0.855 1.00 0.00 C ATOM 1491 CD GLN A 93 -4.402 -20.645 0.900 1.00 0.00 C ATOM 1492 OE1 GLN A 93 -5.335 -20.966 1.624 1.00 0.00 O ATOM 1493 NE2 GLN A 93 -3.747 -21.474 0.067 1.00 0.00 N ATOM 0 H GLN A 93 -3.664 -16.011 1.496 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.635 -17.476 2.875 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -2.047 -19.686 1.898 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.371 -19.222 2.949 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.695 -18.503 0.932 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.378 -19.025 -0.100 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.978 -21.122 -0.503 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.020 -22.455 0.005 1.00 0.00 H new ATOM 1502 N GLN A 94 -1.111 -15.971 0.714 1.00 0.00 N ATOM 1503 CA GLN A 94 -0.379 -15.600 -0.484 1.00 0.00 C ATOM 1504 C GLN A 94 0.257 -14.209 -0.351 1.00 0.00 C ATOM 1505 O GLN A 94 1.332 -13.950 -0.879 1.00 0.00 O ATOM 1506 CB GLN A 94 -1.321 -15.630 -1.687 1.00 0.00 C ATOM 1507 CG GLN A 94 -0.590 -15.312 -2.991 1.00 0.00 C ATOM 1508 CD GLN A 94 -1.570 -15.370 -4.165 1.00 0.00 C ATOM 1509 OE1 GLN A 94 -2.329 -14.443 -4.421 1.00 0.00 O ATOM 1510 NE2 GLN A 94 -1.491 -16.519 -4.858 1.00 0.00 N ATOM 0 H GLN A 94 -1.200 -15.260 1.439 1.00 0.00 H new ATOM 0 HA GLN A 94 0.427 -16.320 -0.626 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.784 -16.614 -1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -2.125 -14.910 -1.537 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.137 -14.322 -2.932 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.220 -16.024 -3.147 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.828 -17.241 -4.575 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.094 -16.669 -5.667 1.00 0.00 H new ATOM 1519 N ILE A 95 -0.467 -13.332 0.369 1.00 0.00 N ATOM 1520 CA ILE A 95 0.024 -11.968 0.449 1.00 0.00 C ATOM 1521 C ILE A 95 0.708 -11.723 1.795 1.00 0.00 C ATOM 1522 O ILE A 95 0.341 -12.280 2.822 1.00 0.00 O ATOM 1523 CB ILE A 95 -1.132 -10.983 0.273 1.00 0.00 C ATOM 1524 CG1 ILE A 95 -2.017 -11.379 -0.907 1.00 0.00 C ATOM 1525 CG2 ILE A 95 -0.617 -9.552 0.113 1.00 0.00 C ATOM 1526 CD1 ILE A 95 -1.313 -11.192 -2.250 1.00 0.00 C ATOM 0 H ILE A 95 -1.334 -13.533 0.868 1.00 0.00 H new ATOM 0 HA ILE A 95 0.751 -11.816 -0.349 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.741 -11.021 1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.317 -12.421 -0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -2.928 -10.781 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.461 -8.873 -0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.050 -9.268 0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.027 -9.493 -0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.984 -11.487 -3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.036 -10.145 -2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.416 -11.810 -2.280 1.00 0.00 H new ATOM 1538 N PHE A 96 1.724 -10.848 1.707 1.00 0.00 N ATOM 1539 CA PHE A 96 2.423 -10.460 2.916 1.00 0.00 C ATOM 1540 C PHE A 96 2.949 -9.032 2.754 1.00 0.00 C ATOM 1541 O PHE A 96 3.495 -8.665 1.721 1.00 0.00 O ATOM 1542 CB PHE A 96 3.578 -11.426 3.181 1.00 0.00 C ATOM 1543 CG PHE A 96 3.084 -12.835 3.336 1.00 0.00 C ATOM 1544 CD1 PHE A 96 2.634 -13.308 4.620 1.00 0.00 C ATOM 1545 CD2 PHE A 96 3.056 -13.723 2.203 1.00 0.00 C ATOM 1546 CE1 PHE A 96 2.158 -14.657 4.771 1.00 0.00 C ATOM 1547 CE2 PHE A 96 2.581 -15.074 2.350 1.00 0.00 C ATOM 1548 CZ PHE A 96 2.132 -15.540 3.635 1.00 0.00 C ATOM 0 H PHE A 96 2.060 -10.418 0.845 1.00 0.00 H new ATOM 0 HA PHE A 96 1.740 -10.497 3.765 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.292 -11.377 2.359 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.109 -11.123 4.083 1.00 0.00 H new ATOM 0 HD1 PHE A 96 2.654 -12.647 5.474 1.00 0.00 H new ATOM 0 HD2 PHE A 96 3.393 -13.374 1.238 1.00 0.00 H new ATOM 0 HE1 PHE A 96 1.821 -15.007 5.736 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.562 -15.736 1.497 1.00 0.00 H new ATOM 0 HZ PHE A 96 1.775 -16.553 3.747 1.00 0.00 H new ATOM 1558 N LEU A 97 2.745 -8.252 3.828 1.00 0.00 N ATOM 1559 CA LEU A 97 3.192 -6.874 3.735 1.00 0.00 C ATOM 1560 C LEU A 97 4.638 -6.771 4.222 1.00 0.00 C ATOM 1561 O LEU A 97 4.963 -7.068 5.366 1.00 0.00 O ATOM 1562 CB LEU A 97 2.284 -5.966 4.564 1.00 0.00 C ATOM 1563 CG LEU A 97 0.832 -6.013 4.084 1.00 0.00 C ATOM 1564 CD1 LEU A 97 -0.056 -5.134 4.964 1.00 0.00 C ATOM 1565 CD2 LEU A 97 0.729 -5.582 2.620 1.00 0.00 C ATOM 0 H LEU A 97 2.306 -8.533 4.705 1.00 0.00 H new ATOM 0 HA LEU A 97 3.143 -6.550 2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.329 -6.266 5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.650 -4.941 4.510 1.00 0.00 H new ATOM 0 HG LEU A 97 0.483 -7.043 4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.084 -5.181 4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.014 -5.489 5.994 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.296 -4.103 4.921 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.312 -5.623 2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.101 -4.563 2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.325 -6.252 2.001 1.00 0.00 H new ATOM 1577 N ARG A 98 5.479 -6.336 3.265 1.00 0.00 N ATOM 1578 CA ARG A 98 6.892 -6.252 3.578 1.00 0.00 C ATOM 1579 C ARG A 98 7.392 -4.817 3.391 1.00 0.00 C ATOM 1580 O ARG A 98 6.919 -4.065 2.546 1.00 0.00 O ATOM 1581 CB ARG A 98 7.674 -7.205 2.674 1.00 0.00 C ATOM 1582 CG ARG A 98 9.169 -7.201 2.997 1.00 0.00 C ATOM 1583 CD ARG A 98 9.447 -7.718 4.409 1.00 0.00 C ATOM 1584 NE ARG A 98 10.874 -7.711 4.671 1.00 0.00 N ATOM 1585 CZ ARG A 98 11.611 -8.767 4.275 1.00 0.00 C ATOM 1586 NH1 ARG A 98 11.035 -9.794 3.658 1.00 0.00 N ATOM 1587 NH2 ARG A 98 12.921 -8.783 4.502 1.00 0.00 N ATOM 0 H ARG A 98 5.212 -6.054 2.322 1.00 0.00 H new ATOM 0 HA ARG A 98 7.045 -6.538 4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.281 -8.216 2.786 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.527 -6.920 1.632 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.699 -7.820 2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.560 -6.188 2.897 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.932 -7.095 5.141 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.054 -8.729 4.518 1.00 0.00 H new ATOM 0 HE ARG A 98 11.311 -6.921 5.146 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.030 -9.785 3.482 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.598 -10.591 3.360 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.366 -7.997 4.975 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.481 -9.582 4.203 1.00 0.00 H new ATOM 1601 N ASP A 99 8.379 -4.501 4.249 1.00 0.00 N ATOM 1602 CA ASP A 99 8.973 -3.181 4.165 1.00 0.00 C ATOM 1603 C ASP A 99 9.606 -2.995 2.786 1.00 0.00 C ATOM 1604 O ASP A 99 10.545 -3.682 2.403 1.00 0.00 O ATOM 1605 CB ASP A 99 10.030 -3.020 5.258 1.00 0.00 C ATOM 1606 CG ASP A 99 9.390 -3.220 6.633 1.00 0.00 C ATOM 1607 OD1 ASP A 99 8.203 -2.931 6.776 1.00 0.00 O ATOM 1608 OD2 ASP A 99 10.085 -3.669 7.544 1.00 0.00 O ATOM 0 H ASP A 99 8.758 -5.115 4.970 1.00 0.00 H new ATOM 0 HA ASP A 99 8.202 -2.424 4.308 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.831 -3.744 5.111 1.00 0.00 H new ATOM 0 HB3 ASP A 99 10.481 -2.029 5.197 1.00 0.00 H new ATOM 1613 N ILE A 100 9.018 -2.019 2.073 1.00 0.00 N ATOM 1614 CA ILE A 100 9.492 -1.747 0.729 1.00 0.00 C ATOM 1615 C ILE A 100 10.867 -1.058 0.741 1.00 0.00 C ATOM 1616 O ILE A 100 11.177 -0.236 -0.112 1.00 0.00 O ATOM 1617 CB ILE A 100 8.473 -0.836 0.056 1.00 0.00 C ATOM 1618 CG1 ILE A 100 8.692 -0.768 -1.452 1.00 0.00 C ATOM 1619 CG2 ILE A 100 8.547 0.553 0.684 1.00 0.00 C ATOM 1620 CD1 ILE A 100 7.651 0.118 -2.131 1.00 0.00 C ATOM 0 H ILE A 100 8.247 -1.434 2.397 1.00 0.00 H new ATOM 0 HA ILE A 100 9.603 -2.688 0.189 1.00 0.00 H new ATOM 0 HB ILE A 100 7.477 -1.249 0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.690 -0.381 -1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.646 -1.772 -1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.819 1.208 0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.326 0.483 1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 100 9.548 0.961 0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.839 0.143 -3.204 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.655 -0.284 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.715 1.129 -1.728 1.00 0.00 H new ATOM 1632 N GLU A 101 11.660 -1.420 1.766 1.00 0.00 N ATOM 1633 CA GLU A 101 12.925 -0.734 1.918 1.00 0.00 C ATOM 1634 C GLU A 101 13.949 -1.672 2.561 1.00 0.00 C ATOM 1635 O GLU A 101 13.722 -2.262 3.610 1.00 0.00 O ATOM 1636 CB GLU A 101 12.702 0.513 2.772 1.00 0.00 C ATOM 1637 CG GLU A 101 12.134 1.671 1.951 1.00 0.00 C ATOM 1638 CD GLU A 101 13.107 2.041 0.830 1.00 0.00 C ATOM 1639 OE1 GLU A 101 14.022 2.824 1.081 1.00 0.00 O ATOM 1640 OE2 GLU A 101 12.936 1.547 -0.282 1.00 0.00 O ATOM 0 H GLU A 101 11.453 -2.142 2.456 1.00 0.00 H new ATOM 0 HA GLU A 101 13.315 -0.433 0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.019 0.277 3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.646 0.817 3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.169 1.390 1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.961 2.534 2.594 1.00 0.00 H new ATOM 1647 N GLN A 102 15.086 -1.763 1.848 1.00 0.00 N ATOM 1648 CA GLN A 102 16.143 -2.632 2.331 1.00 0.00 C ATOM 1649 C GLN A 102 16.674 -2.113 3.669 1.00 0.00 C ATOM 1650 O GLN A 102 17.016 -0.947 3.823 1.00 0.00 O ATOM 1651 CB GLN A 102 17.273 -2.686 1.303 1.00 0.00 C ATOM 1652 CG GLN A 102 18.408 -3.608 1.749 1.00 0.00 C ATOM 1653 CD GLN A 102 17.879 -5.031 1.939 1.00 0.00 C ATOM 1654 OE1 GLN A 102 16.871 -5.427 1.367 1.00 0.00 O ATOM 1655 NE2 GLN A 102 18.625 -5.761 2.786 1.00 0.00 N ATOM 0 H GLN A 102 15.281 -1.267 0.978 1.00 0.00 H new ATOM 0 HA GLN A 102 15.745 -3.636 2.477 1.00 0.00 H new ATOM 0 HB2 GLN A 102 16.878 -3.033 0.348 1.00 0.00 H new ATOM 0 HB3 GLN A 102 17.664 -1.682 1.141 1.00 0.00 H new ATOM 0 HG2 GLN A 102 19.205 -3.603 1.006 1.00 0.00 H new ATOM 0 HG3 GLN A 102 18.839 -3.244 2.681 1.00 0.00 H new ATOM 0 HE21 GLN A 102 19.452 -5.351 3.220 1.00 0.00 H new ATOM 0 HE22 GLN A 102 18.364 -6.725 2.995 1.00 0.00 H new ATOM 1664 N VAL A 103 16.716 -3.065 4.620 1.00 0.00 N ATOM 1665 CA VAL A 103 17.217 -2.705 5.932 1.00 0.00 C ATOM 1666 C VAL A 103 18.537 -1.937 5.781 1.00 0.00 C ATOM 1667 O VAL A 103 19.395 -2.299 4.985 1.00 0.00 O ATOM 1668 CB VAL A 103 17.443 -3.979 6.749 1.00 0.00 C ATOM 1669 CG1 VAL A 103 18.472 -4.881 6.069 1.00 0.00 C ATOM 1670 CG2 VAL A 103 17.873 -3.647 8.178 1.00 0.00 C ATOM 0 H VAL A 103 16.423 -4.035 4.504 1.00 0.00 H new ATOM 0 HA VAL A 103 16.494 -2.071 6.445 1.00 0.00 H new ATOM 0 HB VAL A 103 16.497 -4.518 6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 103 18.618 -5.781 6.666 1.00 0.00 H new ATOM 0 HG12 VAL A 103 18.114 -5.158 5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 103 19.419 -4.349 5.978 1.00 0.00 H new ATOM 0 HG21 VAL A 103 18.027 -4.571 8.736 1.00 0.00 H new ATOM 0 HG22 VAL A 103 18.802 -3.078 8.155 1.00 0.00 H new ATOM 0 HG23 VAL A 103 17.097 -3.055 8.663 1.00 0.00 H new ATOM 1680 N PRO A 104 18.667 -0.857 6.590 1.00 0.00 N ATOM 1681 CA PRO A 104 19.878 -0.042 6.614 1.00 0.00 C ATOM 1682 C PRO A 104 21.203 -0.809 6.732 1.00 0.00 C ATOM 1683 O PRO A 104 22.280 -0.227 6.678 1.00 0.00 O ATOM 1684 CB PRO A 104 19.702 0.826 7.860 1.00 0.00 C ATOM 1685 CG PRO A 104 18.192 0.902 8.091 1.00 0.00 C ATOM 1686 CD PRO A 104 17.632 -0.397 7.510 1.00 0.00 C ATOM 0 HA PRO A 104 19.967 0.489 5.666 1.00 0.00 H new ATOM 0 HB2 PRO A 104 20.209 0.388 8.719 1.00 0.00 H new ATOM 0 HB3 PRO A 104 20.127 1.818 7.711 1.00 0.00 H new ATOM 0 HG2 PRO A 104 17.960 0.991 9.152 1.00 0.00 H new ATOM 0 HG3 PRO A 104 17.761 1.773 7.596 1.00 0.00 H new ATOM 0 HD2 PRO A 104 17.440 -1.132 8.292 1.00 0.00 H new ATOM 0 HD3 PRO A 104 16.688 -0.227 6.993 1.00 0.00 H new ATOM 1694 N GLN A 105 21.065 -2.138 6.893 1.00 0.00 N ATOM 1695 CA GLN A 105 22.266 -2.937 7.035 1.00 0.00 C ATOM 1696 C GLN A 105 23.083 -2.440 8.230 1.00 0.00 C ATOM 1697 O GLN A 105 23.036 -1.276 8.609 1.00 0.00 O ATOM 1698 CB GLN A 105 23.095 -2.863 5.752 1.00 0.00 C ATOM 1699 CG GLN A 105 22.311 -3.366 4.539 1.00 0.00 C ATOM 1700 CD GLN A 105 23.186 -3.290 3.286 1.00 0.00 C ATOM 1701 OE1 GLN A 105 23.169 -2.316 2.543 1.00 0.00 O ATOM 1702 NE2 GLN A 105 23.940 -4.389 3.103 1.00 0.00 N ATOM 0 H GLN A 105 20.181 -2.646 6.925 1.00 0.00 H new ATOM 0 HA GLN A 105 21.988 -3.976 7.211 1.00 0.00 H new ATOM 0 HB2 GLN A 105 23.408 -1.833 5.581 1.00 0.00 H new ATOM 0 HB3 GLN A 105 24.002 -3.456 5.870 1.00 0.00 H new ATOM 0 HG2 GLN A 105 21.987 -4.393 4.705 1.00 0.00 H new ATOM 0 HG3 GLN A 105 21.411 -2.766 4.402 1.00 0.00 H new ATOM 0 HE21 GLN A 105 23.893 -5.157 3.773 1.00 0.00 H new ATOM 0 HE22 GLN A 105 24.559 -4.454 2.295 1.00 0.00 H new ATOM 1711 N GLN A 106 23.823 -3.409 8.799 1.00 0.00 N ATOM 1712 CA GLN A 106 24.621 -3.067 9.961 1.00 0.00 C ATOM 1713 C GLN A 106 25.831 -4.005 10.093 1.00 0.00 C ATOM 1714 O GLN A 106 26.971 -3.558 10.122 1.00 0.00 O ATOM 1715 CB GLN A 106 23.755 -3.067 11.221 1.00 0.00 C ATOM 1716 CG GLN A 106 23.396 -1.649 11.664 1.00 0.00 C ATOM 1717 CD GLN A 106 22.536 -1.703 12.928 1.00 0.00 C ATOM 1718 OE1 GLN A 106 21.658 -2.723 12.923 1.00 0.00 O flip ATOM 1719 NE2 GLN A 106 22.667 -0.891 13.836 1.00 0.00 N flip ATOM 0 H GLN A 106 23.878 -4.378 8.486 1.00 0.00 H new ATOM 0 HA GLN A 106 25.013 -2.058 9.831 1.00 0.00 H new ATOM 0 HB2 GLN A 106 22.841 -3.631 11.034 1.00 0.00 H new ATOM 0 HB3 GLN A 106 24.285 -3.576 12.026 1.00 0.00 H new ATOM 0 HG2 GLN A 106 24.304 -1.077 11.855 1.00 0.00 H new ATOM 0 HG3 GLN A 106 22.857 -1.135 10.868 1.00 0.00 H new ATOM 0 HE21 GLN A 106 23.359 -0.146 13.758 1.00 0.00 H new ATOM 0 HE22 GLN A 106 22.084 -0.960 14.670 1.00 0.00 H new ATOM 1728 N PRO A 107 25.546 -5.327 10.171 1.00 0.00 N ATOM 1729 CA PRO A 107 26.594 -6.328 10.296 1.00 0.00 C ATOM 1730 C PRO A 107 27.751 -6.136 9.313 1.00 0.00 C ATOM 1731 O PRO A 107 27.579 -6.143 8.100 1.00 0.00 O ATOM 1732 CB PRO A 107 25.875 -7.653 10.038 1.00 0.00 C ATOM 1733 CG PRO A 107 24.416 -7.385 10.411 1.00 0.00 C ATOM 1734 CD PRO A 107 24.202 -5.893 10.139 1.00 0.00 C ATOM 0 HA PRO A 107 27.069 -6.270 11.276 1.00 0.00 H new ATOM 0 HB2 PRO A 107 25.967 -7.957 8.995 1.00 0.00 H new ATOM 0 HB3 PRO A 107 26.297 -8.456 10.642 1.00 0.00 H new ATOM 0 HG2 PRO A 107 23.738 -7.996 9.815 1.00 0.00 H new ATOM 0 HG3 PRO A 107 24.226 -7.626 11.457 1.00 0.00 H new ATOM 0 HD2 PRO A 107 23.724 -5.729 9.173 1.00 0.00 H new ATOM 0 HD3 PRO A 107 23.560 -5.439 10.894 1.00 0.00 H new ATOM 1742 N THR A 108 28.935 -5.971 9.930 1.00 0.00 N ATOM 1743 CA THR A 108 30.131 -5.818 9.123 1.00 0.00 C ATOM 1744 C THR A 108 30.054 -4.529 8.303 1.00 0.00 C ATOM 1745 O THR A 108 29.234 -4.380 7.405 1.00 0.00 O ATOM 1746 CB THR A 108 30.292 -7.025 8.198 1.00 0.00 C ATOM 1747 OG1 THR A 108 30.326 -8.202 8.967 1.00 0.00 O ATOM 1748 CG2 THR A 108 31.569 -6.930 7.362 1.00 0.00 C ATOM 0 H THR A 108 29.076 -5.942 10.940 1.00 0.00 H new ATOM 0 HA THR A 108 30.998 -5.759 9.782 1.00 0.00 H new ATOM 0 HB THR A 108 29.442 -7.041 7.516 1.00 0.00 H new ATOM 0 HG1 THR A 108 30.427 -8.977 8.375 1.00 0.00 H new ATOM 0 HG21 THR A 108 31.648 -7.806 6.718 1.00 0.00 H new ATOM 0 HG22 THR A 108 31.536 -6.030 6.748 1.00 0.00 H new ATOM 0 HG23 THR A 108 32.434 -6.887 8.023 1.00 0.00 H new ATOM 1756 N TYR A 109 30.973 -3.620 8.676 1.00 0.00 N ATOM 1757 CA TYR A 109 31.043 -2.362 7.956 1.00 0.00 C ATOM 1758 C TYR A 109 32.144 -1.490 8.561 1.00 0.00 C ATOM 1759 O TYR A 109 32.004 -0.926 9.639 1.00 0.00 O ATOM 1760 CB TYR A 109 29.698 -1.637 8.038 1.00 0.00 C ATOM 1761 CG TYR A 109 29.736 -0.330 7.304 1.00 0.00 C ATOM 1762 CD1 TYR A 109 30.516 -0.192 6.101 1.00 0.00 C ATOM 1763 CD2 TYR A 109 28.989 0.799 7.797 1.00 0.00 C ATOM 1764 CE1 TYR A 109 30.552 1.062 5.397 1.00 0.00 C ATOM 1765 CE2 TYR A 109 29.022 2.056 7.096 1.00 0.00 C ATOM 1766 CZ TYR A 109 29.804 2.186 5.895 1.00 0.00 C ATOM 1767 OH TYR A 109 29.837 3.389 5.221 1.00 0.00 O ATOM 0 H TYR A 109 31.643 -3.734 9.437 1.00 0.00 H new ATOM 0 HA TYR A 109 31.273 -2.558 6.909 1.00 0.00 H new ATOM 0 HB2 TYR A 109 28.916 -2.269 7.618 1.00 0.00 H new ATOM 0 HB3 TYR A 109 29.440 -1.462 9.083 1.00 0.00 H new ATOM 0 HD1 TYR A 109 31.077 -1.035 5.725 1.00 0.00 H new ATOM 0 HD2 TYR A 109 28.401 0.702 8.698 1.00 0.00 H new ATOM 0 HE1 TYR A 109 31.140 1.160 4.496 1.00 0.00 H new ATOM 0 HE2 TYR A 109 28.461 2.900 7.471 1.00 0.00 H new ATOM 0 HH TYR A 109 29.277 4.042 5.690 1.00 0.00 H new ATOM 1777 N VAL A 110 33.244 -1.418 7.789 1.00 0.00 N ATOM 1778 CA VAL A 110 34.355 -0.617 8.265 1.00 0.00 C ATOM 1779 C VAL A 110 35.393 -0.460 7.152 1.00 0.00 C ATOM 1780 O VAL A 110 36.579 -0.715 7.330 1.00 0.00 O ATOM 1781 CB VAL A 110 34.976 -1.276 9.497 1.00 0.00 C ATOM 1782 CG1 VAL A 110 35.532 -2.654 9.145 1.00 0.00 C ATOM 1783 CG2 VAL A 110 36.061 -0.388 10.109 1.00 0.00 C ATOM 0 H VAL A 110 33.374 -1.879 6.888 1.00 0.00 H new ATOM 0 HA VAL A 110 33.997 0.373 8.546 1.00 0.00 H new ATOM 0 HB VAL A 110 34.193 -1.404 10.244 1.00 0.00 H new ATOM 0 HG11 VAL A 110 35.970 -3.108 10.034 1.00 0.00 H new ATOM 0 HG12 VAL A 110 34.726 -3.287 8.774 1.00 0.00 H new ATOM 0 HG13 VAL A 110 36.297 -2.552 8.375 1.00 0.00 H new ATOM 0 HG21 VAL A 110 36.485 -0.882 10.983 1.00 0.00 H new ATOM 0 HG22 VAL A 110 36.847 -0.214 9.374 1.00 0.00 H new ATOM 0 HG23 VAL A 110 35.625 0.566 10.407 1.00 0.00 H new ATOM 1793 N GLN A 111 34.862 -0.028 5.996 1.00 0.00 N ATOM 1794 CA GLN A 111 35.750 0.163 4.866 1.00 0.00 C ATOM 1795 C GLN A 111 36.136 1.640 4.757 1.00 0.00 C ATOM 1796 O GLN A 111 35.296 2.522 4.627 1.00 0.00 O ATOM 1797 CB GLN A 111 35.059 -0.302 3.584 1.00 0.00 C ATOM 1798 CG GLN A 111 33.788 0.499 3.295 1.00 0.00 C ATOM 1799 CD GLN A 111 33.135 -0.011 2.009 1.00 0.00 C ATOM 1800 OE1 GLN A 111 33.788 -0.232 0.995 1.00 0.00 O ATOM 1801 NE2 GLN A 111 31.808 -0.186 2.127 1.00 0.00 N ATOM 0 H GLN A 111 33.877 0.182 5.834 1.00 0.00 H new ATOM 0 HA GLN A 111 36.655 -0.427 5.011 1.00 0.00 H new ATOM 0 HB2 GLN A 111 35.748 -0.204 2.745 1.00 0.00 H new ATOM 0 HB3 GLN A 111 34.809 -1.360 3.670 1.00 0.00 H new ATOM 0 HG2 GLN A 111 33.092 0.407 4.129 1.00 0.00 H new ATOM 0 HG3 GLN A 111 34.029 1.557 3.196 1.00 0.00 H new ATOM 0 HE21 GLN A 111 31.343 0.023 3.010 1.00 0.00 H new ATOM 0 HE22 GLN A 111 31.266 -0.528 1.333 1.00 0.00 H new ATOM 1810 N ALA A 112 37.465 1.841 4.822 1.00 0.00 N ATOM 1811 CA ALA A 112 37.954 3.203 4.729 1.00 0.00 C ATOM 1812 C ALA A 112 38.368 3.505 3.288 1.00 0.00 C ATOM 1813 O ALA A 112 39.552 3.381 2.979 1.00 0.00 O ATOM 1814 CB ALA A 112 39.145 3.390 5.670 1.00 0.00 C ATOM 1815 OXT ALA A 112 37.503 3.866 2.491 1.00 0.00 O ATOM 0 H ALA A 112 38.174 1.116 4.932 1.00 0.00 H new ATOM 0 HA ALA A 112 37.162 3.892 5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 112 39.509 4.415 5.597 1.00 0.00 H new ATOM 0 HB2 ALA A 112 38.834 3.188 6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 112 39.942 2.701 5.390 1.00 0.00 H new TER 1821 ALA A 112