USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=26 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 Single : A 1 GLY N :NH3+ 143:sc= 0.0213 (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 HD1:sc= -1.59 X(o=-1.6,f=-1.9) USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= -0.0115 (180deg=-0.15) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -171:sc= -6.63! (180deg=-7.02!) USER MOD Single : A 24 SER OG : rot -52:sc= 1.18 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -3.44! C(o=-3.4!,f=-6.3!) USER MOD Single : A 28 HIS : no HE2:sc= -0.646! C(o=-0.65!,f=-5.3!) USER MOD Single : A 37 SER OG : rot 148:sc= -0.432 USER MOD Single : A 39 SER OG : rot 180:sc= -0.0131 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -69:sc= -2.93! USER MOD Single : A 49 LYS NZ :NH3+ -120:sc= 0.799 (180deg=-2.25!) USER MOD Single : A 52 ASN : amide:sc= -0.025 X(o=-0.025,f=-0.069) USER MOD Single : A 55 GLN : amide:sc= -4.71! C(o=-4.7!,f=-8.7!) USER MOD Single : A 56 HIS : no HD1:sc= -4.44 X(o=-4.4,f=-4.2!) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0802) USER MOD Single : A 66 LYS NZ :NH3+ -142:sc= -1.8! (180deg=-3.54!) USER MOD Single : A 67 TYR OH : rot 45:sc= 0.0258 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.358 K(o=-0.36,f=-2.4!) USER MOD Single : A 76 SER OG : rot -26:sc= 0.114 USER MOD Single : A 78 ASN :FLIP amide:sc= 0.0398 F(o=-0.57,f=0.04) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= -11.5 K(o=-11,f=-13!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -138:sc= 0.642 USER MOD Single : A 88 SER OG : rot 121:sc= 0.275 USER MOD Single : A 90 SER OG : rot 180:sc= -0.577 USER MOD Single : A 92 ASN :FLIP amide:sc= -3.79! C(o=-4.4!,f=-3.8!) USER MOD Single : A 93 GLN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.2) USER MOD Single : A 102 GLN : amide:sc= -3.43! C(o=-3.4!,f=-4.6!) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.0522 F(o=-1.1!,f=-0.052) 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 :FLIP amide:sc= -0.0466 F(o=-1.8!,f=-0.047) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.491 9.715 4.949 1.00 0.00 N ATOM 2 CA GLY A 1 26.567 8.596 5.092 1.00 0.00 C ATOM 3 C GLY A 1 25.742 8.693 6.377 1.00 0.00 C ATOM 4 O GLY A 1 26.168 9.256 7.379 1.00 0.00 O ATOM 0 H1 GLY A 1 28.380 9.379 4.526 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.067 10.439 4.335 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.687 10.125 5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.897 8.567 4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.127 7.661 5.091 1.00 0.00 H new ATOM 10 N ILE A 2 24.534 8.112 6.271 1.00 0.00 N ATOM 11 CA ILE A 2 23.657 8.145 7.425 1.00 0.00 C ATOM 12 C ILE A 2 22.514 7.147 7.231 1.00 0.00 C ATOM 13 O ILE A 2 21.755 7.210 6.272 1.00 0.00 O ATOM 14 CB ILE A 2 23.101 9.557 7.614 1.00 0.00 C ATOM 15 CG1 ILE A 2 22.224 9.631 8.862 1.00 0.00 C ATOM 16 CG2 ILE A 2 22.321 10.000 6.375 1.00 0.00 C ATOM 17 CD1 ILE A 2 21.760 11.059 9.150 1.00 0.00 C ATOM 0 H ILE A 2 24.169 7.642 5.443 1.00 0.00 H new ATOM 0 HA ILE A 2 24.221 7.868 8.316 1.00 0.00 H new ATOM 0 HB ILE A 2 23.941 10.239 7.750 1.00 0.00 H new ATOM 0 HG12 ILE A 2 21.355 8.986 8.733 1.00 0.00 H new ATOM 0 HG13 ILE A 2 22.780 9.250 9.719 1.00 0.00 H new ATOM 0 HG21 ILE A 2 21.934 11.007 6.530 1.00 0.00 H new ATOM 0 HG22 ILE A 2 22.982 9.994 5.508 1.00 0.00 H new ATOM 0 HG23 ILE A 2 21.491 9.315 6.203 1.00 0.00 H new ATOM 0 HD11 ILE A 2 21.139 11.066 10.046 1.00 0.00 H new ATOM 0 HD12 ILE A 2 22.628 11.699 9.305 1.00 0.00 H new ATOM 0 HD13 ILE A 2 21.181 11.431 8.304 1.00 0.00 H new ATOM 29 N GLU A 3 22.449 6.225 8.209 1.00 0.00 N ATOM 30 CA GLU A 3 21.404 5.223 8.133 1.00 0.00 C ATOM 31 C GLU A 3 20.311 5.538 9.155 1.00 0.00 C ATOM 32 O GLU A 3 19.996 4.746 10.034 1.00 0.00 O ATOM 33 CB GLU A 3 21.995 3.837 8.396 1.00 0.00 C ATOM 34 CG GLU A 3 22.658 3.751 9.771 1.00 0.00 C ATOM 35 CD GLU A 3 23.228 2.348 9.986 1.00 0.00 C ATOM 36 OE1 GLU A 3 23.562 1.693 9.000 1.00 0.00 O ATOM 37 OE2 GLU A 3 23.328 1.925 11.138 1.00 0.00 O ATOM 0 H GLU A 3 23.074 6.162 9.012 1.00 0.00 H new ATOM 0 HA GLU A 3 20.965 5.233 7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 3 21.207 3.087 8.325 1.00 0.00 H new ATOM 0 HB3 GLU A 3 22.728 3.603 7.624 1.00 0.00 H new ATOM 0 HG2 GLU A 3 23.454 4.492 9.848 1.00 0.00 H new ATOM 0 HG3 GLU A 3 21.931 3.981 10.550 1.00 0.00 H new ATOM 44 N MET A 4 19.757 6.750 8.970 1.00 0.00 N ATOM 45 CA MET A 4 18.694 7.161 9.867 1.00 0.00 C ATOM 46 C MET A 4 17.691 6.018 10.031 1.00 0.00 C ATOM 47 O MET A 4 17.518 5.178 9.156 1.00 0.00 O ATOM 48 CB MET A 4 17.996 8.401 9.308 1.00 0.00 C ATOM 49 CG MET A 4 16.877 8.888 10.232 1.00 0.00 C ATOM 50 SD MET A 4 16.063 10.348 9.566 1.00 0.00 S ATOM 51 CE MET A 4 17.073 11.593 10.381 1.00 0.00 C ATOM 0 H MET A 4 20.017 7.420 8.246 1.00 0.00 H new ATOM 0 HA MET A 4 19.116 7.405 10.842 1.00 0.00 H new ATOM 0 HB2 MET A 4 18.726 9.198 9.170 1.00 0.00 H new ATOM 0 HB3 MET A 4 17.583 8.174 8.325 1.00 0.00 H new ATOM 0 HG2 MET A 4 16.145 8.092 10.369 1.00 0.00 H new ATOM 0 HG3 MET A 4 17.289 9.116 11.215 1.00 0.00 H new ATOM 0 HE1 MET A 4 16.726 12.586 10.096 1.00 0.00 H new ATOM 0 HE2 MET A 4 16.992 11.477 11.462 1.00 0.00 H new ATOM 0 HE3 MET A 4 18.114 11.472 10.080 1.00 0.00 H new ATOM 61 N LYS A 5 17.050 6.044 11.214 1.00 0.00 N ATOM 62 CA LYS A 5 16.081 5.006 11.515 1.00 0.00 C ATOM 63 C LYS A 5 15.234 4.702 10.269 1.00 0.00 C ATOM 64 O LYS A 5 14.777 5.601 9.575 1.00 0.00 O ATOM 65 CB LYS A 5 15.177 5.478 12.655 1.00 0.00 C ATOM 66 CG LYS A 5 14.160 4.411 13.065 1.00 0.00 C ATOM 67 CD LYS A 5 13.237 4.904 14.180 1.00 0.00 C ATOM 68 CE LYS A 5 12.218 3.839 14.588 1.00 0.00 C ATOM 69 NZ LYS A 5 11.331 4.297 15.649 1.00 0.00 N ATOM 0 H LYS A 5 17.185 6.746 11.942 1.00 0.00 H new ATOM 0 HA LYS A 5 16.603 4.097 11.815 1.00 0.00 H new ATOM 0 HB2 LYS A 5 15.790 5.744 13.516 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.650 6.381 12.348 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.563 4.126 12.199 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.686 3.516 13.398 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.834 5.187 15.047 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.713 5.800 13.848 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.624 3.556 13.719 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.745 2.944 14.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.659 3.541 15.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.893 4.542 16.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.807 5.135 15.326 1.00 0.00 H new ATOM 83 N PRO A 6 15.048 3.384 10.017 1.00 0.00 N ATOM 84 CA PRO A 6 14.245 2.919 8.896 1.00 0.00 C ATOM 85 C PRO A 6 12.925 3.676 8.746 1.00 0.00 C ATOM 86 O PRO A 6 12.079 3.688 9.632 1.00 0.00 O ATOM 87 CB PRO A 6 13.989 1.445 9.216 1.00 0.00 C ATOM 88 CG PRO A 6 15.154 1.027 10.119 1.00 0.00 C ATOM 89 CD PRO A 6 15.587 2.308 10.838 1.00 0.00 C ATOM 0 HA PRO A 6 14.760 3.079 7.949 1.00 0.00 H new ATOM 0 HB2 PRO A 6 13.032 1.311 9.720 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.958 0.843 8.308 1.00 0.00 H new ATOM 0 HG2 PRO A 6 14.845 0.262 10.831 1.00 0.00 H new ATOM 0 HG3 PRO A 6 15.973 0.607 9.535 1.00 0.00 H new ATOM 0 HD2 PRO A 6 15.192 2.347 11.853 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.672 2.373 10.915 1.00 0.00 H new ATOM 97 N HIS A 7 12.811 4.303 7.560 1.00 0.00 N ATOM 98 CA HIS A 7 11.595 5.049 7.300 1.00 0.00 C ATOM 99 C HIS A 7 10.413 4.073 7.218 1.00 0.00 C ATOM 100 O HIS A 7 10.511 3.012 6.613 1.00 0.00 O ATOM 101 CB HIS A 7 11.736 5.810 5.982 1.00 0.00 C ATOM 102 CG HIS A 7 10.487 6.622 5.731 1.00 0.00 C ATOM 103 ND1 HIS A 7 10.316 7.893 6.155 1.00 0.00 N ATOM 104 CD2 HIS A 7 9.329 6.223 5.043 1.00 0.00 C ATOM 105 CE1 HIS A 7 9.091 8.255 5.737 1.00 0.00 C ATOM 106 NE2 HIS A 7 8.471 7.268 5.063 1.00 0.00 N ATOM 0 H HIS A 7 13.508 4.304 6.815 1.00 0.00 H new ATOM 0 HA HIS A 7 11.419 5.762 8.105 1.00 0.00 H new ATOM 0 HB2 HIS A 7 12.607 6.465 6.020 1.00 0.00 H new ATOM 0 HB3 HIS A 7 11.898 5.111 5.162 1.00 0.00 H new ATOM 0 HD2 HIS A 7 9.156 5.261 4.584 1.00 0.00 H new ATOM 0 HE1 HIS A 7 8.654 9.226 5.921 1.00 0.00 H new ATOM 0 HE2 HIS A 7 7.539 7.302 4.650 1.00 0.00 H new ATOM 114 N PRO A 8 9.289 4.482 7.857 1.00 0.00 N ATOM 115 CA PRO A 8 8.049 3.716 7.833 1.00 0.00 C ATOM 116 C PRO A 8 7.682 3.141 6.450 1.00 0.00 C ATOM 117 O PRO A 8 8.419 2.355 5.869 1.00 0.00 O ATOM 118 CB PRO A 8 7.008 4.706 8.375 1.00 0.00 C ATOM 119 CG PRO A 8 7.805 5.663 9.262 1.00 0.00 C ATOM 120 CD PRO A 8 9.195 5.718 8.627 1.00 0.00 C ATOM 0 HA PRO A 8 8.123 2.809 8.433 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.510 5.239 7.565 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.232 4.193 8.943 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.345 6.651 9.292 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.853 5.302 10.289 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.306 6.594 7.988 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.976 5.775 9.385 1.00 0.00 H new ATOM 128 N TRP A 9 6.500 3.567 5.966 1.00 0.00 N ATOM 129 CA TRP A 9 6.047 3.061 4.675 1.00 0.00 C ATOM 130 C TRP A 9 5.078 4.030 3.969 1.00 0.00 C ATOM 131 O TRP A 9 4.308 3.630 3.104 1.00 0.00 O ATOM 132 CB TRP A 9 5.434 1.649 4.783 1.00 0.00 C ATOM 133 CG TRP A 9 4.525 1.472 5.987 1.00 0.00 C ATOM 134 CD1 TRP A 9 4.767 0.587 7.045 1.00 0.00 C ATOM 135 CD2 TRP A 9 3.285 2.146 6.287 1.00 0.00 C ATOM 136 NE1 TRP A 9 3.773 0.670 7.964 1.00 0.00 N ATOM 137 CE2 TRP A 9 2.830 1.606 7.565 1.00 0.00 C ATOM 138 CE3 TRP A 9 2.518 3.135 5.622 1.00 0.00 C ATOM 139 CZ2 TRP A 9 1.625 2.066 8.148 1.00 0.00 C ATOM 140 CZ3 TRP A 9 1.289 3.607 6.211 1.00 0.00 C ATOM 141 CH2 TRP A 9 0.842 3.073 7.476 1.00 0.00 C ATOM 0 H TRP A 9 5.875 4.227 6.428 1.00 0.00 H new ATOM 0 HA TRP A 9 6.940 2.986 4.055 1.00 0.00 H new ATOM 0 HB2 TRP A 9 4.867 1.437 3.876 1.00 0.00 H new ATOM 0 HB3 TRP A 9 6.239 0.915 4.835 1.00 0.00 H new ATOM 0 HD1 TRP A 9 5.623 -0.068 7.119 1.00 0.00 H new ATOM 0 HE1 TRP A 9 3.726 0.123 8.824 1.00 0.00 H new ATOM 0 HE3 TRP A 9 2.853 3.534 4.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.293 1.664 9.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.703 4.360 5.706 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -0.077 3.427 7.918 1.00 0.00 H new ATOM 152 N PHE A 10 5.168 5.316 4.364 1.00 0.00 N ATOM 153 CA PHE A 10 4.329 6.302 3.708 1.00 0.00 C ATOM 154 C PHE A 10 5.066 6.892 2.502 1.00 0.00 C ATOM 155 O PHE A 10 6.122 7.501 2.627 1.00 0.00 O ATOM 156 CB PHE A 10 3.988 7.425 4.690 1.00 0.00 C ATOM 157 CG PHE A 10 3.193 6.925 5.858 1.00 0.00 C ATOM 158 CD1 PHE A 10 3.860 6.347 6.996 1.00 0.00 C ATOM 159 CD2 PHE A 10 1.756 7.025 5.854 1.00 0.00 C ATOM 160 CE1 PHE A 10 3.098 5.872 8.121 1.00 0.00 C ATOM 161 CE2 PHE A 10 0.991 6.554 6.977 1.00 0.00 C ATOM 162 CZ PHE A 10 1.664 5.977 8.111 1.00 0.00 C ATOM 0 H PHE A 10 5.783 5.670 5.096 1.00 0.00 H new ATOM 0 HA PHE A 10 3.411 5.820 3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.909 7.886 5.048 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.424 8.201 4.172 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.937 6.270 7.005 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.250 7.456 5.003 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.603 5.437 8.971 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.086 6.633 6.969 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.091 5.623 8.955 1.00 0.00 H new ATOM 172 N PHE A 11 4.431 6.683 1.335 1.00 0.00 N ATOM 173 CA PHE A 11 4.986 7.273 0.132 1.00 0.00 C ATOM 174 C PHE A 11 3.990 8.296 -0.426 1.00 0.00 C ATOM 175 O PHE A 11 3.116 7.987 -1.224 1.00 0.00 O ATOM 176 CB PHE A 11 5.305 6.166 -0.876 1.00 0.00 C ATOM 177 CG PHE A 11 6.425 5.312 -0.362 1.00 0.00 C ATOM 178 CD1 PHE A 11 6.203 4.404 0.734 1.00 0.00 C ATOM 179 CD2 PHE A 11 7.735 5.405 -0.952 1.00 0.00 C ATOM 180 CE1 PHE A 11 7.284 3.602 1.242 1.00 0.00 C ATOM 181 CE2 PHE A 11 8.818 4.602 -0.448 1.00 0.00 C ATOM 182 CZ PHE A 11 8.592 3.703 0.652 1.00 0.00 C ATOM 0 H PHE A 11 3.578 6.137 1.212 1.00 0.00 H new ATOM 0 HA PHE A 11 5.917 7.796 0.350 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.420 5.554 -1.049 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.581 6.604 -1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.221 4.325 1.176 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.906 6.081 -1.777 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.114 2.925 2.066 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.799 4.674 -0.895 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.405 3.104 1.035 1.00 0.00 H new ATOM 192 N GLY A 12 4.194 9.526 0.081 1.00 0.00 N ATOM 193 CA GLY A 12 3.254 10.607 -0.168 1.00 0.00 C ATOM 194 C GLY A 12 2.656 10.564 -1.575 1.00 0.00 C ATOM 195 O GLY A 12 1.789 9.759 -1.891 1.00 0.00 O ATOM 0 H GLY A 12 4.995 9.783 0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.449 10.558 0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.759 11.562 -0.023 1.00 0.00 H new ATOM 199 N LYS A 13 3.148 11.520 -2.382 1.00 0.00 N ATOM 200 CA LYS A 13 2.541 11.663 -3.690 1.00 0.00 C ATOM 201 C LYS A 13 3.336 10.881 -4.735 1.00 0.00 C ATOM 202 O LYS A 13 3.943 11.441 -5.639 1.00 0.00 O ATOM 203 CB LYS A 13 2.463 13.145 -4.064 1.00 0.00 C ATOM 204 CG LYS A 13 3.835 13.820 -4.048 1.00 0.00 C ATOM 205 CD LYS A 13 3.736 15.304 -4.407 1.00 0.00 C ATOM 206 CE LYS A 13 3.246 15.512 -5.840 1.00 0.00 C ATOM 207 NZ LYS A 13 4.183 14.989 -6.828 1.00 0.00 N ATOM 0 H LYS A 13 3.912 12.159 -2.163 1.00 0.00 H new ATOM 0 HA LYS A 13 1.530 11.256 -3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.023 13.244 -5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.800 13.659 -3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.282 13.713 -3.060 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.497 13.318 -4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.056 15.800 -3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.712 15.773 -4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.280 15.024 -5.965 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.091 16.576 -6.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.915 15.328 -7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.144 15.317 -6.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.159 13.949 -6.813 1.00 0.00 H new ATOM 221 N ILE A 14 3.271 9.548 -4.561 1.00 0.00 N ATOM 222 CA ILE A 14 3.885 8.721 -5.580 1.00 0.00 C ATOM 223 C ILE A 14 2.785 8.300 -6.560 1.00 0.00 C ATOM 224 O ILE A 14 1.735 7.814 -6.159 1.00 0.00 O ATOM 225 CB ILE A 14 4.524 7.498 -4.923 1.00 0.00 C ATOM 226 CG1 ILE A 14 5.689 6.973 -5.756 1.00 0.00 C ATOM 227 CG2 ILE A 14 3.481 6.409 -4.687 1.00 0.00 C ATOM 228 CD1 ILE A 14 6.855 7.960 -5.737 1.00 0.00 C ATOM 0 H ILE A 14 2.831 9.061 -3.780 1.00 0.00 H new ATOM 0 HA ILE A 14 4.665 9.265 -6.112 1.00 0.00 H new ATOM 0 HB ILE A 14 4.922 7.801 -3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 14 6.016 6.009 -5.366 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.363 6.808 -6.783 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.955 5.546 -4.219 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.697 6.792 -4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.045 6.110 -5.640 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.675 7.566 -6.337 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.530 8.915 -6.149 1.00 0.00 H new ATOM 0 HD13 ILE A 14 7.193 8.104 -4.711 1.00 0.00 H new ATOM 240 N PRO A 15 3.053 8.530 -7.865 1.00 0.00 N ATOM 241 CA PRO A 15 2.039 8.322 -8.887 1.00 0.00 C ATOM 242 C PRO A 15 1.671 6.839 -9.020 1.00 0.00 C ATOM 243 O PRO A 15 1.873 6.043 -8.110 1.00 0.00 O ATOM 244 CB PRO A 15 2.692 8.860 -10.167 1.00 0.00 C ATOM 245 CG PRO A 15 4.197 8.887 -9.884 1.00 0.00 C ATOM 246 CD PRO A 15 4.321 9.031 -8.367 1.00 0.00 C ATOM 0 HA PRO A 15 1.100 8.825 -8.655 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.465 8.221 -11.021 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.321 9.856 -10.407 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.679 7.974 -10.233 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.679 9.718 -10.399 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.161 8.455 -7.978 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.484 10.069 -8.076 1.00 0.00 H new ATOM 254 N ARG A 16 1.143 6.520 -10.214 1.00 0.00 N ATOM 255 CA ARG A 16 0.723 5.149 -10.424 1.00 0.00 C ATOM 256 C ARG A 16 1.854 4.385 -11.103 1.00 0.00 C ATOM 257 O ARG A 16 2.272 3.319 -10.668 1.00 0.00 O ATOM 258 CB ARG A 16 -0.536 5.117 -11.292 1.00 0.00 C ATOM 259 CG ARG A 16 -1.025 3.688 -11.531 1.00 0.00 C ATOM 260 CD ARG A 16 -2.283 3.654 -12.400 1.00 0.00 C ATOM 261 NE ARG A 16 -3.354 4.391 -11.756 1.00 0.00 N ATOM 262 CZ ARG A 16 -4.625 4.133 -12.116 1.00 0.00 C ATOM 263 NH1 ARG A 16 -4.887 3.216 -13.044 1.00 0.00 N ATOM 264 NH2 ARG A 16 -5.624 4.797 -11.542 1.00 0.00 N ATOM 0 H ARG A 16 1.007 7.158 -10.998 1.00 0.00 H new ATOM 0 HA ARG A 16 0.493 4.681 -9.467 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.324 5.695 -10.810 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.330 5.595 -12.249 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.236 3.110 -12.012 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.232 3.210 -10.573 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.071 4.086 -13.378 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.591 2.622 -12.568 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.148 5.091 -11.044 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.123 2.705 -13.486 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.852 3.024 -13.313 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.426 5.500 -10.830 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.588 4.603 -11.813 1.00 0.00 H new ATOM 278 N ALA A 17 2.334 5.025 -12.182 1.00 0.00 N ATOM 279 CA ALA A 17 3.489 4.459 -12.846 1.00 0.00 C ATOM 280 C ALA A 17 4.554 4.133 -11.798 1.00 0.00 C ATOM 281 O ALA A 17 4.821 2.981 -11.481 1.00 0.00 O ATOM 282 CB ALA A 17 4.037 5.462 -13.861 1.00 0.00 C ATOM 0 H ALA A 17 1.958 5.883 -12.585 1.00 0.00 H new ATOM 0 HA ALA A 17 3.208 3.546 -13.371 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.907 5.036 -14.361 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.269 5.688 -14.600 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.327 6.378 -13.347 1.00 0.00 H new ATOM 288 N LYS A 18 5.134 5.236 -11.290 1.00 0.00 N ATOM 289 CA LYS A 18 6.209 5.082 -10.330 1.00 0.00 C ATOM 290 C LYS A 18 5.868 3.998 -9.304 1.00 0.00 C ATOM 291 O LYS A 18 6.608 3.040 -9.120 1.00 0.00 O ATOM 292 CB LYS A 18 6.472 6.415 -9.632 1.00 0.00 C ATOM 293 CG LYS A 18 7.743 6.360 -8.785 1.00 0.00 C ATOM 294 CD LYS A 18 8.991 6.128 -9.638 1.00 0.00 C ATOM 295 CE LYS A 18 10.263 6.104 -8.789 1.00 0.00 C ATOM 296 NZ LYS A 18 11.460 5.886 -9.592 1.00 0.00 N ATOM 0 H LYS A 18 4.882 6.197 -11.523 1.00 0.00 H new ATOM 0 HA LYS A 18 7.111 4.774 -10.859 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.563 7.206 -10.377 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.622 6.670 -8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.850 7.293 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.654 5.561 -8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.894 5.184 -10.174 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.070 6.915 -10.388 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.356 7.047 -8.251 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.182 5.316 -8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.296 5.878 -8.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.385 4.974 -10.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.554 6.651 -10.290 1.00 0.00 H new ATOM 310 N ALA A 19 4.710 4.208 -8.646 1.00 0.00 N ATOM 311 CA ALA A 19 4.353 3.237 -7.628 1.00 0.00 C ATOM 312 C ALA A 19 4.523 1.815 -8.174 1.00 0.00 C ATOM 313 O ALA A 19 5.059 0.930 -7.518 1.00 0.00 O ATOM 314 CB ALA A 19 2.909 3.456 -7.174 1.00 0.00 C ATOM 0 H ALA A 19 4.060 4.981 -8.792 1.00 0.00 H new ATOM 0 HA ALA A 19 5.014 3.367 -6.771 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.652 2.722 -6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.805 4.460 -6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.239 3.343 -8.026 1.00 0.00 H new ATOM 320 N GLU A 20 4.031 1.666 -9.417 1.00 0.00 N ATOM 321 CA GLU A 20 4.106 0.355 -10.034 1.00 0.00 C ATOM 322 C GLU A 20 5.558 -0.045 -10.314 1.00 0.00 C ATOM 323 O GLU A 20 5.934 -1.203 -10.193 1.00 0.00 O ATOM 324 CB GLU A 20 3.326 0.358 -11.350 1.00 0.00 C ATOM 325 CG GLU A 20 1.815 0.411 -11.123 1.00 0.00 C ATOM 326 CD GLU A 20 1.088 0.441 -12.469 1.00 0.00 C ATOM 327 OE1 GLU A 20 1.758 0.387 -13.499 1.00 0.00 O ATOM 328 OE2 GLU A 20 -0.140 0.520 -12.471 1.00 0.00 O ATOM 0 H GLU A 20 3.602 2.401 -9.979 1.00 0.00 H new ATOM 0 HA GLU A 20 3.673 -0.367 -9.342 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.632 1.215 -11.950 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.575 -0.537 -11.921 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.494 -0.456 -10.546 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.557 1.295 -10.540 1.00 0.00 H new ATOM 335 N GLU A 21 6.341 0.973 -10.713 1.00 0.00 N ATOM 336 CA GLU A 21 7.688 0.650 -11.139 1.00 0.00 C ATOM 337 C GLU A 21 8.522 0.163 -9.953 1.00 0.00 C ATOM 338 O GLU A 21 8.734 -1.028 -9.764 1.00 0.00 O ATOM 339 CB GLU A 21 8.331 1.868 -11.801 1.00 0.00 C ATOM 340 CG GLU A 21 7.531 2.323 -13.022 1.00 0.00 C ATOM 341 CD GLU A 21 8.293 3.421 -13.767 1.00 0.00 C ATOM 342 OE1 GLU A 21 8.408 4.522 -13.231 1.00 0.00 O ATOM 343 OE2 GLU A 21 8.759 3.163 -14.876 1.00 0.00 O ATOM 0 H GLU A 21 6.078 1.958 -10.746 1.00 0.00 H new ATOM 0 HA GLU A 21 7.646 -0.157 -11.871 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.396 2.684 -11.081 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.351 1.626 -12.101 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.353 1.477 -13.686 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.555 2.694 -12.710 1.00 0.00 H new ATOM 350 N MET A 22 8.996 1.159 -9.185 1.00 0.00 N ATOM 351 CA MET A 22 9.882 0.801 -8.093 1.00 0.00 C ATOM 352 C MET A 22 9.342 -0.416 -7.334 1.00 0.00 C ATOM 353 O MET A 22 10.089 -1.299 -6.934 1.00 0.00 O ATOM 354 CB MET A 22 10.056 1.990 -7.148 1.00 0.00 C ATOM 355 CG MET A 22 8.742 2.394 -6.477 1.00 0.00 C ATOM 356 SD MET A 22 8.979 3.798 -5.376 1.00 0.00 S ATOM 357 CE MET A 22 7.393 3.723 -4.528 1.00 0.00 C ATOM 0 H MET A 22 8.792 2.152 -9.296 1.00 0.00 H new ATOM 0 HA MET A 22 10.855 0.537 -8.507 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.790 1.739 -6.383 1.00 0.00 H new ATOM 0 HB3 MET A 22 10.453 2.839 -7.705 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.004 2.646 -7.239 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.343 1.550 -5.914 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.270 4.611 -3.908 1.00 0.00 H new ATOM 0 HE2 MET A 22 6.589 3.679 -5.263 1.00 0.00 H new ATOM 0 HE3 MET A 22 7.358 2.833 -3.899 1.00 0.00 H new ATOM 367 N LEU A 23 8.006 -0.411 -7.164 1.00 0.00 N ATOM 368 CA LEU A 23 7.443 -1.513 -6.407 1.00 0.00 C ATOM 369 C LEU A 23 7.467 -2.813 -7.220 1.00 0.00 C ATOM 370 O LEU A 23 7.693 -3.891 -6.685 1.00 0.00 O ATOM 371 CB LEU A 23 6.013 -1.190 -5.983 1.00 0.00 C ATOM 372 CG LEU A 23 5.439 -2.258 -5.051 1.00 0.00 C ATOM 373 CD1 LEU A 23 6.268 -2.383 -3.774 1.00 0.00 C ATOM 374 CD2 LEU A 23 3.992 -1.918 -4.699 1.00 0.00 C ATOM 0 H LEU A 23 7.352 0.289 -7.514 1.00 0.00 H new ATOM 0 HA LEU A 23 8.056 -1.655 -5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.993 -0.222 -5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.383 -1.104 -6.868 1.00 0.00 H new ATOM 0 HG LEU A 23 5.472 -3.215 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.834 -3.150 -3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.291 -2.660 -4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.271 -1.429 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.590 -2.683 -4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.957 -0.949 -4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.395 -1.879 -5.610 1.00 0.00 H new ATOM 386 N SER A 24 7.228 -2.651 -8.535 1.00 0.00 N ATOM 387 CA SER A 24 7.270 -3.846 -9.366 1.00 0.00 C ATOM 388 C SER A 24 8.713 -4.338 -9.585 1.00 0.00 C ATOM 389 O SER A 24 9.030 -4.941 -10.603 1.00 0.00 O ATOM 390 CB SER A 24 6.604 -3.568 -10.714 1.00 0.00 C ATOM 391 OG SER A 24 6.649 -4.710 -11.531 1.00 0.00 O ATOM 0 H SER A 24 7.020 -1.772 -9.008 1.00 0.00 H new ATOM 0 HA SER A 24 6.726 -4.633 -8.844 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.568 -3.265 -10.559 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.107 -2.739 -11.211 1.00 0.00 H new ATOM 0 HG SER A 24 7.571 -5.039 -11.583 1.00 0.00 H new ATOM 397 N LYS A 25 9.558 -4.054 -8.575 1.00 0.00 N ATOM 398 CA LYS A 25 10.927 -4.525 -8.642 1.00 0.00 C ATOM 399 C LYS A 25 11.331 -5.125 -7.290 1.00 0.00 C ATOM 400 O LYS A 25 12.409 -4.869 -6.767 1.00 0.00 O ATOM 401 CB LYS A 25 11.840 -3.352 -8.998 1.00 0.00 C ATOM 402 CG LYS A 25 11.396 -2.681 -10.298 1.00 0.00 C ATOM 403 CD LYS A 25 12.240 -1.448 -10.625 1.00 0.00 C ATOM 404 CE LYS A 25 13.693 -1.815 -10.924 1.00 0.00 C ATOM 405 NZ LYS A 25 14.504 -0.647 -11.249 1.00 0.00 N ATOM 0 H LYS A 25 9.317 -3.521 -7.740 1.00 0.00 H new ATOM 0 HA LYS A 25 11.019 -5.296 -9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.832 -2.623 -8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.866 -3.704 -9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.467 -3.396 -11.117 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.348 -2.392 -10.217 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.812 -0.932 -11.484 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.206 -0.752 -9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.122 -2.323 -10.060 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.724 -2.519 -11.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.481 -0.946 -11.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.112 -0.175 -12.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.498 0.014 -10.446 1.00 0.00 H new ATOM 419 N GLN A 26 10.385 -5.922 -6.757 1.00 0.00 N ATOM 420 CA GLN A 26 10.599 -6.458 -5.428 1.00 0.00 C ATOM 421 C GLN A 26 10.800 -7.971 -5.497 1.00 0.00 C ATOM 422 O GLN A 26 10.221 -8.672 -6.318 1.00 0.00 O ATOM 423 CB GLN A 26 9.410 -6.084 -4.544 1.00 0.00 C ATOM 424 CG GLN A 26 9.318 -4.570 -4.372 1.00 0.00 C ATOM 425 CD GLN A 26 10.468 -4.066 -3.497 1.00 0.00 C ATOM 426 OE1 GLN A 26 11.483 -4.727 -3.315 1.00 0.00 O ATOM 427 NE2 GLN A 26 10.228 -2.855 -2.963 1.00 0.00 N ATOM 0 H GLN A 26 9.512 -6.191 -7.210 1.00 0.00 H new ATOM 0 HA GLN A 26 11.502 -6.031 -4.992 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.488 -6.461 -4.988 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.512 -6.560 -3.569 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.353 -4.083 -5.347 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.363 -4.306 -3.918 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.353 -2.372 -3.167 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.921 -2.420 -2.354 1.00 0.00 H new ATOM 436 N ARG A 27 11.694 -8.404 -4.591 1.00 0.00 N ATOM 437 CA ARG A 27 12.118 -9.792 -4.638 1.00 0.00 C ATOM 438 C ARG A 27 11.124 -10.687 -3.895 1.00 0.00 C ATOM 439 O ARG A 27 11.301 -11.029 -2.732 1.00 0.00 O ATOM 440 CB ARG A 27 13.508 -9.924 -4.018 1.00 0.00 C ATOM 441 CG ARG A 27 14.542 -9.071 -4.753 1.00 0.00 C ATOM 442 CD ARG A 27 15.936 -9.208 -4.141 1.00 0.00 C ATOM 443 NE ARG A 27 16.882 -8.386 -4.871 1.00 0.00 N ATOM 444 CZ ARG A 27 18.193 -8.683 -4.791 1.00 0.00 C ATOM 445 NH1 ARG A 27 18.605 -9.713 -4.055 1.00 0.00 N ATOM 446 NH2 ARG A 27 19.081 -7.944 -5.449 1.00 0.00 N ATOM 0 H ARG A 27 12.114 -7.836 -3.855 1.00 0.00 H new ATOM 0 HA ARG A 27 12.154 -10.113 -5.679 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.469 -9.625 -2.971 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.818 -10.969 -4.039 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.576 -9.366 -5.802 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.235 -8.025 -4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.913 -8.907 -3.094 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.252 -10.251 -4.167 1.00 0.00 H new ATOM 0 HE ARG A 27 16.561 -7.598 -5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.926 -10.282 -3.548 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.599 -9.934 -3.998 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.769 -7.154 -6.013 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.074 -8.167 -5.390 1.00 0.00 H new ATOM 460 N HIS A 28 10.092 -11.059 -4.676 1.00 0.00 N ATOM 461 CA HIS A 28 9.115 -12.026 -4.201 1.00 0.00 C ATOM 462 C HIS A 28 8.086 -11.359 -3.292 1.00 0.00 C ATOM 463 O HIS A 28 6.882 -11.551 -3.410 1.00 0.00 O ATOM 464 CB HIS A 28 9.813 -13.190 -3.496 1.00 0.00 C ATOM 465 CG HIS A 28 8.825 -14.311 -3.273 1.00 0.00 C ATOM 466 ND1 HIS A 28 7.498 -14.127 -3.102 1.00 0.00 N ATOM 467 CD2 HIS A 28 9.093 -15.689 -3.207 1.00 0.00 C ATOM 468 CE1 HIS A 28 6.976 -15.355 -2.938 1.00 0.00 C ATOM 469 NE2 HIS A 28 7.914 -16.318 -2.996 1.00 0.00 N ATOM 0 H HIS A 28 9.924 -10.706 -5.618 1.00 0.00 H new ATOM 0 HA HIS A 28 8.580 -12.428 -5.061 1.00 0.00 H new ATOM 0 HB2 HIS A 28 10.650 -13.544 -4.098 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.223 -12.858 -2.542 1.00 0.00 H new ATOM 0 HD1 HIS A 28 6.995 -13.239 -3.098 1.00 0.00 H new ATOM 0 HD2 HIS A 28 10.060 -16.159 -3.306 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.925 -15.546 -2.778 1.00 0.00 H new ATOM 477 N ASP A 29 8.662 -10.549 -2.396 1.00 0.00 N ATOM 478 CA ASP A 29 7.825 -9.763 -1.509 1.00 0.00 C ATOM 479 C ASP A 29 6.740 -9.093 -2.347 1.00 0.00 C ATOM 480 O ASP A 29 6.819 -9.087 -3.569 1.00 0.00 O ATOM 481 CB ASP A 29 8.705 -8.743 -0.780 1.00 0.00 C ATOM 482 CG ASP A 29 9.857 -9.467 -0.081 1.00 0.00 C ATOM 483 OD1 ASP A 29 9.590 -10.260 0.820 1.00 0.00 O ATOM 484 OD2 ASP A 29 11.007 -9.229 -0.445 1.00 0.00 O ATOM 0 H ASP A 29 9.667 -10.428 -2.274 1.00 0.00 H new ATOM 0 HA ASP A 29 7.340 -10.383 -0.755 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.097 -8.013 -1.489 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.112 -8.192 -0.050 1.00 0.00 H new ATOM 489 N GLY A 30 5.708 -8.564 -1.659 1.00 0.00 N ATOM 490 CA GLY A 30 5.647 -8.466 -0.209 1.00 0.00 C ATOM 491 C GLY A 30 5.823 -7.010 0.241 1.00 0.00 C ATOM 492 O GLY A 30 5.164 -6.537 1.158 1.00 0.00 O ATOM 0 H GLY A 30 4.879 -8.187 -2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.691 -8.849 0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.425 -9.087 0.236 1.00 0.00 H new ATOM 496 N ALA A 31 6.745 -6.333 -0.469 1.00 0.00 N ATOM 497 CA ALA A 31 6.983 -4.942 -0.143 1.00 0.00 C ATOM 498 C ALA A 31 5.756 -4.118 -0.532 1.00 0.00 C ATOM 499 O ALA A 31 5.028 -4.448 -1.460 1.00 0.00 O ATOM 500 CB ALA A 31 8.226 -4.446 -0.877 1.00 0.00 C ATOM 0 H ALA A 31 7.305 -6.714 -1.232 1.00 0.00 H new ATOM 0 HA ALA A 31 7.153 -4.835 0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.401 -3.399 -0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.088 -5.040 -0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.077 -4.544 -1.952 1.00 0.00 H new ATOM 506 N PHE A 32 5.559 -3.045 0.255 1.00 0.00 N ATOM 507 CA PHE A 32 4.328 -2.306 0.045 1.00 0.00 C ATOM 508 C PHE A 32 4.536 -0.810 0.294 1.00 0.00 C ATOM 509 O PHE A 32 5.488 -0.383 0.937 1.00 0.00 O ATOM 510 CB PHE A 32 3.257 -2.838 0.997 1.00 0.00 C ATOM 511 CG PHE A 32 3.639 -2.604 2.429 1.00 0.00 C ATOM 512 CD1 PHE A 32 4.545 -3.503 3.096 1.00 0.00 C ATOM 513 CD2 PHE A 32 3.105 -1.474 3.147 1.00 0.00 C ATOM 514 CE1 PHE A 32 4.916 -3.276 4.467 1.00 0.00 C ATOM 515 CE2 PHE A 32 3.474 -1.244 4.518 1.00 0.00 C ATOM 516 CZ PHE A 32 4.381 -2.146 5.178 1.00 0.00 C ATOM 0 H PHE A 32 6.186 -2.700 0.982 1.00 0.00 H new ATOM 0 HA PHE A 32 4.013 -2.439 -0.990 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.305 -2.350 0.787 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.112 -3.905 0.826 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.948 -4.352 2.564 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.424 -0.797 2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.596 -3.954 4.962 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.071 -0.396 5.051 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.660 -1.974 6.207 1.00 0.00 H new ATOM 526 N LEU A 33 3.558 -0.058 -0.243 1.00 0.00 N ATOM 527 CA LEU A 33 3.519 1.353 0.088 1.00 0.00 C ATOM 528 C LEU A 33 2.071 1.839 0.061 1.00 0.00 C ATOM 529 O LEU A 33 1.233 1.346 -0.684 1.00 0.00 O ATOM 530 CB LEU A 33 4.410 2.180 -0.850 1.00 0.00 C ATOM 531 CG LEU A 33 4.056 2.055 -2.336 1.00 0.00 C ATOM 532 CD1 LEU A 33 2.876 2.949 -2.730 1.00 0.00 C ATOM 533 CD2 LEU A 33 5.271 2.403 -3.197 1.00 0.00 C ATOM 0 H LEU A 33 2.828 -0.391 -0.872 1.00 0.00 H new ATOM 0 HA LEU A 33 3.919 1.490 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.345 3.229 -0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.447 1.874 -0.709 1.00 0.00 H new ATOM 0 HG LEU A 33 3.760 1.020 -2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.664 2.825 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.997 2.669 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.126 3.991 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.008 2.311 -4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.583 3.426 -2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.088 1.720 -2.966 1.00 0.00 H new ATOM 545 N ILE A 34 1.842 2.833 0.937 1.00 0.00 N ATOM 546 CA ILE A 34 0.540 3.467 0.923 1.00 0.00 C ATOM 547 C ILE A 34 0.712 4.914 0.465 1.00 0.00 C ATOM 548 O ILE A 34 1.309 5.743 1.139 1.00 0.00 O ATOM 549 CB ILE A 34 -0.098 3.403 2.311 1.00 0.00 C ATOM 550 CG1 ILE A 34 -0.336 1.949 2.721 1.00 0.00 C ATOM 551 CG2 ILE A 34 -1.409 4.190 2.334 1.00 0.00 C ATOM 552 CD1 ILE A 34 -1.009 1.839 4.089 1.00 0.00 C ATOM 0 H ILE A 34 2.508 3.190 1.622 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.123 2.945 0.234 1.00 0.00 H new ATOM 0 HB ILE A 34 0.586 3.856 3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.957 1.459 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.616 1.419 2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.850 4.134 3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.212 5.232 2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.101 3.766 1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.158 0.788 4.338 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.376 2.305 4.844 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.974 2.345 4.062 1.00 0.00 H new ATOM 564 N ARG A 35 0.171 5.137 -0.744 1.00 0.00 N ATOM 565 CA ARG A 35 0.452 6.408 -1.381 1.00 0.00 C ATOM 566 C ARG A 35 -0.670 7.410 -1.118 1.00 0.00 C ATOM 567 O ARG A 35 -1.854 7.105 -1.200 1.00 0.00 O ATOM 568 CB ARG A 35 0.635 6.188 -2.881 1.00 0.00 C ATOM 569 CG ARG A 35 -0.594 5.525 -3.498 1.00 0.00 C ATOM 570 CD ARG A 35 -0.407 5.227 -4.984 1.00 0.00 C ATOM 571 NE ARG A 35 -0.368 6.467 -5.736 1.00 0.00 N ATOM 572 CZ ARG A 35 -0.686 6.447 -7.043 1.00 0.00 C ATOM 573 NH1 ARG A 35 -1.007 5.301 -7.638 1.00 0.00 N ATOM 574 NH2 ARG A 35 -0.678 7.577 -7.744 1.00 0.00 N ATOM 0 H ARG A 35 -0.425 4.492 -1.263 1.00 0.00 H new ATOM 0 HA ARG A 35 1.369 6.822 -0.961 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.820 7.144 -3.371 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.513 5.566 -3.055 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.808 4.597 -2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.459 6.175 -3.366 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.517 4.669 -5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.223 4.599 -5.343 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.104 7.341 -5.281 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.013 4.433 -7.103 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.247 5.291 -8.629 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.431 8.457 -7.291 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.919 7.564 -8.735 1.00 0.00 H new ATOM 588 N GLU A 36 -0.197 8.628 -0.799 1.00 0.00 N ATOM 589 CA GLU A 36 -1.143 9.704 -0.578 1.00 0.00 C ATOM 590 C GLU A 36 -1.554 10.305 -1.923 1.00 0.00 C ATOM 591 O GLU A 36 -0.728 10.714 -2.729 1.00 0.00 O ATOM 592 CB GLU A 36 -0.508 10.779 0.304 1.00 0.00 C ATOM 593 CG GLU A 36 -1.464 11.944 0.562 1.00 0.00 C ATOM 594 CD GLU A 36 -0.783 12.988 1.449 1.00 0.00 C ATOM 595 OE1 GLU A 36 0.445 13.058 1.436 1.00 0.00 O ATOM 596 OE2 GLU A 36 -1.488 13.714 2.148 1.00 0.00 O ATOM 0 H GLU A 36 0.788 8.873 -0.695 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.027 9.312 -0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.208 10.338 1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.398 11.152 -0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.763 12.397 -0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.372 11.581 1.044 1.00 0.00 H new ATOM 603 N SER A 37 -2.886 10.324 -2.102 1.00 0.00 N ATOM 604 CA SER A 37 -3.405 10.866 -3.342 1.00 0.00 C ATOM 605 C SER A 37 -2.956 12.320 -3.499 1.00 0.00 C ATOM 606 O SER A 37 -3.045 13.131 -2.586 1.00 0.00 O ATOM 607 CB SER A 37 -4.930 10.782 -3.340 1.00 0.00 C ATOM 608 OG SER A 37 -5.459 11.304 -4.533 1.00 0.00 O ATOM 0 H SER A 37 -3.581 9.987 -1.436 1.00 0.00 H new ATOM 0 HA SER A 37 -3.019 10.286 -4.181 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.242 9.744 -3.222 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.328 11.333 -2.488 1.00 0.00 H new ATOM 0 HG SER A 37 -6.282 10.824 -4.764 1.00 0.00 H new ATOM 614 N GLU A 38 -2.462 12.579 -4.721 1.00 0.00 N ATOM 615 CA GLU A 38 -1.971 13.913 -5.008 1.00 0.00 C ATOM 616 C GLU A 38 -2.919 14.966 -4.427 1.00 0.00 C ATOM 617 O GLU A 38 -2.498 15.957 -3.844 1.00 0.00 O ATOM 618 CB GLU A 38 -1.852 14.099 -6.522 1.00 0.00 C ATOM 619 CG GLU A 38 -1.289 15.470 -6.886 1.00 0.00 C ATOM 620 CD GLU A 38 -1.192 15.607 -8.406 1.00 0.00 C ATOM 621 OE1 GLU A 38 -2.170 16.029 -9.021 1.00 0.00 O ATOM 622 OE2 GLU A 38 -0.138 15.296 -8.958 1.00 0.00 O ATOM 0 H GLU A 38 -2.398 11.908 -5.487 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.990 14.036 -4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.208 13.322 -6.933 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.833 13.976 -6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.929 16.254 -6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.304 15.599 -6.437 1.00 0.00 H new ATOM 629 N SER A 39 -4.219 14.683 -4.625 1.00 0.00 N ATOM 630 CA SER A 39 -5.196 15.644 -4.150 1.00 0.00 C ATOM 631 C SER A 39 -6.448 14.922 -3.646 1.00 0.00 C ATOM 632 O SER A 39 -7.512 14.972 -4.251 1.00 0.00 O ATOM 633 CB SER A 39 -5.563 16.601 -5.284 1.00 0.00 C ATOM 634 OG SER A 39 -4.425 17.283 -5.747 1.00 0.00 O ATOM 0 H SER A 39 -4.589 13.849 -5.082 1.00 0.00 H new ATOM 0 HA SER A 39 -4.767 16.211 -3.324 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.018 16.044 -6.103 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.306 17.318 -4.935 1.00 0.00 H new ATOM 0 HG SER A 39 -4.680 17.889 -6.473 1.00 0.00 H new ATOM 640 N ALA A 40 -6.244 14.266 -2.489 1.00 0.00 N ATOM 641 CA ALA A 40 -7.364 13.585 -1.868 1.00 0.00 C ATOM 642 C ALA A 40 -6.883 12.895 -0.582 1.00 0.00 C ATOM 643 O ALA A 40 -6.269 11.836 -0.621 1.00 0.00 O ATOM 644 CB ALA A 40 -7.938 12.547 -2.832 1.00 0.00 C ATOM 0 H ALA A 40 -5.354 14.200 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.143 14.308 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.779 12.038 -2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.277 13.043 -3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.167 11.818 -3.083 1.00 0.00 H new ATOM 650 N PRO A 41 -7.182 13.548 0.568 1.00 0.00 N ATOM 651 CA PRO A 41 -6.732 13.058 1.869 1.00 0.00 C ATOM 652 C PRO A 41 -7.469 11.811 2.390 1.00 0.00 C ATOM 653 O PRO A 41 -7.127 11.259 3.428 1.00 0.00 O ATOM 654 CB PRO A 41 -7.020 14.227 2.808 1.00 0.00 C ATOM 655 CG PRO A 41 -8.141 15.023 2.136 1.00 0.00 C ATOM 656 CD PRO A 41 -7.950 14.785 0.637 1.00 0.00 C ATOM 0 HA PRO A 41 -5.689 12.747 1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.325 13.874 3.793 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.132 14.843 2.952 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.121 14.682 2.468 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.073 16.083 2.379 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.907 14.689 0.124 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.417 15.612 0.167 1.00 0.00 H new ATOM 664 N GLY A 42 -8.484 11.400 1.609 1.00 0.00 N ATOM 665 CA GLY A 42 -9.221 10.212 1.992 1.00 0.00 C ATOM 666 C GLY A 42 -8.974 9.072 0.999 1.00 0.00 C ATOM 667 O GLY A 42 -9.879 8.332 0.632 1.00 0.00 O ATOM 0 H GLY A 42 -8.793 11.856 0.751 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.921 9.900 2.992 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.286 10.438 2.035 1.00 0.00 H new ATOM 671 N ASP A 43 -7.696 8.985 0.585 1.00 0.00 N ATOM 672 CA ASP A 43 -7.362 7.945 -0.368 1.00 0.00 C ATOM 673 C ASP A 43 -5.971 7.384 -0.063 1.00 0.00 C ATOM 674 O ASP A 43 -4.950 8.011 -0.317 1.00 0.00 O ATOM 675 CB ASP A 43 -7.396 8.519 -1.786 1.00 0.00 C ATOM 676 CG ASP A 43 -7.079 7.419 -2.801 1.00 0.00 C ATOM 677 OD1 ASP A 43 -6.071 6.735 -2.629 1.00 0.00 O ATOM 678 OD2 ASP A 43 -7.843 7.259 -3.750 1.00 0.00 O ATOM 0 H ASP A 43 -6.929 9.588 0.881 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.091 7.138 -0.290 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.378 8.944 -1.992 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.673 9.329 -1.877 1.00 0.00 H new ATOM 683 N PHE A 44 -6.011 6.157 0.486 1.00 0.00 N ATOM 684 CA PHE A 44 -4.759 5.495 0.796 1.00 0.00 C ATOM 685 C PHE A 44 -4.814 4.047 0.306 1.00 0.00 C ATOM 686 O PHE A 44 -5.488 3.200 0.877 1.00 0.00 O ATOM 687 CB PHE A 44 -4.528 5.519 2.308 1.00 0.00 C ATOM 688 CG PHE A 44 -4.448 6.922 2.832 1.00 0.00 C ATOM 689 CD1 PHE A 44 -3.746 7.936 2.089 1.00 0.00 C ATOM 690 CD2 PHE A 44 -5.074 7.265 4.083 1.00 0.00 C ATOM 691 CE1 PHE A 44 -3.669 9.283 2.591 1.00 0.00 C ATOM 692 CE2 PHE A 44 -4.999 8.610 4.589 1.00 0.00 C ATOM 693 CZ PHE A 44 -4.296 9.618 3.842 1.00 0.00 C ATOM 0 H PHE A 44 -6.858 5.635 0.710 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.940 6.014 0.299 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.338 4.989 2.809 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.606 4.989 2.544 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.275 7.685 1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.603 6.509 4.644 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.142 10.040 2.030 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.470 8.862 5.528 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.239 10.628 4.221 1.00 0.00 H new ATOM 703 N SER A 45 -4.062 3.823 -0.786 1.00 0.00 N ATOM 704 CA SER A 45 -4.063 2.483 -1.341 1.00 0.00 C ATOM 705 C SER A 45 -2.752 1.772 -0.990 1.00 0.00 C ATOM 706 O SER A 45 -1.659 2.268 -1.236 1.00 0.00 O ATOM 707 CB SER A 45 -4.253 2.548 -2.857 1.00 0.00 C ATOM 708 OG SER A 45 -3.215 3.279 -3.457 1.00 0.00 O ATOM 0 H SER A 45 -3.484 4.512 -1.268 1.00 0.00 H new ATOM 0 HA SER A 45 -4.889 1.916 -0.913 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.279 1.539 -3.269 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.212 3.012 -3.089 1.00 0.00 H new ATOM 0 HG SER A 45 -3.353 3.308 -4.427 1.00 0.00 H new ATOM 714 N LEU A 46 -2.950 0.581 -0.394 1.00 0.00 N ATOM 715 CA LEU A 46 -1.797 -0.204 0.001 1.00 0.00 C ATOM 716 C LEU A 46 -1.404 -1.138 -1.145 1.00 0.00 C ATOM 717 O LEU A 46 -2.143 -2.037 -1.529 1.00 0.00 O ATOM 718 CB LEU A 46 -2.143 -1.012 1.253 1.00 0.00 C ATOM 719 CG LEU A 46 -0.907 -1.541 1.986 1.00 0.00 C ATOM 720 CD1 LEU A 46 -1.306 -2.124 3.341 1.00 0.00 C ATOM 721 CD2 LEU A 46 -0.156 -2.588 1.161 1.00 0.00 C ATOM 0 H LEU A 46 -3.859 0.167 -0.188 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.956 0.453 0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.722 -0.387 1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.779 -1.852 0.972 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.232 -0.699 2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.418 -2.497 3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.775 -1.349 3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.010 -2.943 3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.713 -2.936 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.816 -3.431 0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.170 -2.144 0.220 1.00 0.00 H new ATOM 733 N SER A 47 -0.198 -0.856 -1.664 1.00 0.00 N ATOM 734 CA SER A 47 0.266 -1.654 -2.782 1.00 0.00 C ATOM 735 C SER A 47 1.187 -2.769 -2.283 1.00 0.00 C ATOM 736 O SER A 47 1.914 -2.617 -1.308 1.00 0.00 O ATOM 737 CB SER A 47 1.018 -0.757 -3.762 1.00 0.00 C ATOM 738 OG SER A 47 2.176 -0.252 -3.154 1.00 0.00 O ATOM 0 H SER A 47 0.434 -0.123 -1.342 1.00 0.00 H new ATOM 0 HA SER A 47 -0.589 -2.106 -3.285 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.283 -1.322 -4.656 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.377 0.064 -4.082 1.00 0.00 H new ATOM 0 HG SER A 47 1.926 0.382 -2.450 1.00 0.00 H new ATOM 744 N VAL A 48 1.105 -3.895 -3.015 1.00 0.00 N ATOM 745 CA VAL A 48 1.955 -5.008 -2.633 1.00 0.00 C ATOM 746 C VAL A 48 2.415 -5.775 -3.875 1.00 0.00 C ATOM 747 O VAL A 48 1.640 -6.089 -4.770 1.00 0.00 O ATOM 748 CB VAL A 48 1.199 -5.952 -1.698 1.00 0.00 C ATOM 749 CG1 VAL A 48 2.097 -7.115 -1.268 1.00 0.00 C ATOM 750 CG2 VAL A 48 0.664 -5.200 -0.480 1.00 0.00 C ATOM 0 H VAL A 48 0.498 -4.045 -3.821 1.00 0.00 H new ATOM 0 HA VAL A 48 2.829 -4.614 -2.114 1.00 0.00 H new ATOM 0 HB VAL A 48 0.347 -6.360 -2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.542 -7.777 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.418 -7.672 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.971 -6.726 -0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.130 -5.893 0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.495 -4.756 0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.016 -4.413 -0.808 1.00 0.00 H new ATOM 760 N LYS A 49 3.728 -6.061 -3.850 1.00 0.00 N ATOM 761 CA LYS A 49 4.271 -6.899 -4.902 1.00 0.00 C ATOM 762 C LYS A 49 3.875 -8.351 -4.617 1.00 0.00 C ATOM 763 O LYS A 49 4.511 -9.047 -3.836 1.00 0.00 O ATOM 764 CB LYS A 49 5.795 -6.760 -4.911 1.00 0.00 C ATOM 765 CG LYS A 49 6.453 -7.606 -6.003 1.00 0.00 C ATOM 766 CD LYS A 49 6.725 -6.792 -7.269 1.00 0.00 C ATOM 767 CE LYS A 49 7.285 -7.651 -8.401 1.00 0.00 C ATOM 768 NZ LYS A 49 6.300 -8.590 -8.921 1.00 0.00 N ATOM 0 H LYS A 49 4.393 -5.739 -3.147 1.00 0.00 H new ATOM 0 HA LYS A 49 3.881 -6.599 -5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.060 -5.713 -5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.190 -7.056 -3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.390 -8.018 -5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.808 -8.451 -6.246 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.801 -6.318 -7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.429 -5.992 -7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.629 -7.005 -9.208 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.154 -8.202 -8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.649 -9.562 -8.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.405 -8.477 -8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.141 -8.402 -9.932 1.00 0.00 H new ATOM 782 N PHE A 50 2.778 -8.756 -5.283 1.00 0.00 N ATOM 783 CA PHE A 50 2.250 -10.068 -4.955 1.00 0.00 C ATOM 784 C PHE A 50 3.171 -11.170 -5.485 1.00 0.00 C ATOM 785 O PHE A 50 3.469 -12.149 -4.811 1.00 0.00 O ATOM 786 CB PHE A 50 0.833 -10.216 -5.519 1.00 0.00 C ATOM 787 CG PHE A 50 0.282 -11.593 -5.291 1.00 0.00 C ATOM 788 CD1 PHE A 50 0.456 -12.248 -4.019 1.00 0.00 C ATOM 789 CD2 PHE A 50 -0.421 -12.271 -6.348 1.00 0.00 C ATOM 790 CE1 PHE A 50 -0.068 -13.571 -3.808 1.00 0.00 C ATOM 791 CE2 PHE A 50 -0.946 -13.593 -6.141 1.00 0.00 C ATOM 792 CZ PHE A 50 -0.768 -14.244 -4.870 1.00 0.00 C ATOM 0 H PHE A 50 2.278 -8.229 -5.999 1.00 0.00 H new ATOM 0 HA PHE A 50 2.203 -10.169 -3.871 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.178 -9.481 -5.052 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.843 -10.001 -6.588 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.982 -11.744 -3.222 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.555 -11.784 -7.302 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.064 -14.059 -2.853 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.473 -14.097 -6.938 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.160 -15.238 -4.713 1.00 0.00 H new ATOM 802 N GLY A 51 3.593 -10.935 -6.734 1.00 0.00 N ATOM 803 CA GLY A 51 4.430 -11.931 -7.375 1.00 0.00 C ATOM 804 C GLY A 51 5.066 -11.354 -8.638 1.00 0.00 C ATOM 805 O GLY A 51 6.264 -11.114 -8.718 1.00 0.00 O ATOM 0 H GLY A 51 3.378 -10.107 -7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.208 -12.261 -6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.835 -12.809 -7.627 1.00 0.00 H new ATOM 809 N ASN A 52 4.161 -11.157 -9.610 1.00 0.00 N ATOM 810 CA ASN A 52 4.583 -10.549 -10.861 1.00 0.00 C ATOM 811 C ASN A 52 3.897 -9.189 -11.097 1.00 0.00 C ATOM 812 O ASN A 52 4.420 -8.331 -11.798 1.00 0.00 O ATOM 813 CB ASN A 52 4.250 -11.495 -12.014 1.00 0.00 C ATOM 814 CG ASN A 52 4.764 -10.912 -13.333 1.00 0.00 C ATOM 815 OD1 ASN A 52 5.915 -10.512 -13.459 1.00 0.00 O ATOM 816 ND2 ASN A 52 3.828 -10.890 -14.298 1.00 0.00 N ATOM 0 H ASN A 52 3.173 -11.402 -9.551 1.00 0.00 H new ATOM 0 HA ASN A 52 5.658 -10.374 -10.808 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.702 -12.471 -11.837 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.172 -11.649 -12.070 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.055 -10.519 -15.221 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.891 -11.244 -14.108 1.00 0.00 H new ATOM 823 N ASP A 53 2.704 -9.043 -10.484 1.00 0.00 N ATOM 824 CA ASP A 53 1.959 -7.820 -10.708 1.00 0.00 C ATOM 825 C ASP A 53 1.857 -7.016 -9.411 1.00 0.00 C ATOM 826 O ASP A 53 1.910 -7.546 -8.308 1.00 0.00 O ATOM 827 CB ASP A 53 0.561 -8.152 -11.229 1.00 0.00 C ATOM 828 CG ASP A 53 0.666 -8.957 -12.527 1.00 0.00 C ATOM 829 OD1 ASP A 53 0.810 -8.349 -13.585 1.00 0.00 O ATOM 830 OD2 ASP A 53 0.597 -10.184 -12.463 1.00 0.00 O ATOM 0 H ASP A 53 2.267 -9.725 -9.865 1.00 0.00 H new ATOM 0 HA ASP A 53 2.484 -7.219 -11.451 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.011 -8.722 -10.481 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.001 -7.233 -11.405 1.00 0.00 H new ATOM 835 N VAL A 54 1.709 -5.698 -9.635 1.00 0.00 N ATOM 836 CA VAL A 54 1.556 -4.811 -8.499 1.00 0.00 C ATOM 837 C VAL A 54 0.112 -4.869 -7.994 1.00 0.00 C ATOM 838 O VAL A 54 -0.846 -4.777 -8.752 1.00 0.00 O ATOM 839 CB VAL A 54 1.931 -3.386 -8.904 1.00 0.00 C ATOM 840 CG1 VAL A 54 1.594 -2.401 -7.785 1.00 0.00 C ATOM 841 CG2 VAL A 54 3.413 -3.305 -9.271 1.00 0.00 C ATOM 0 H VAL A 54 1.694 -5.252 -10.552 1.00 0.00 H new ATOM 0 HA VAL A 54 2.219 -5.127 -7.694 1.00 0.00 H new ATOM 0 HB VAL A 54 1.347 -3.113 -9.783 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.869 -1.392 -8.093 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.525 -2.438 -7.577 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.148 -2.669 -6.885 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.662 -2.283 -9.557 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.017 -3.599 -8.413 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.618 -3.975 -10.106 1.00 0.00 H new ATOM 851 N GLN A 55 0.035 -5.043 -6.663 1.00 0.00 N ATOM 852 CA GLN A 55 -1.268 -5.195 -6.048 1.00 0.00 C ATOM 853 C GLN A 55 -1.690 -3.879 -5.392 1.00 0.00 C ATOM 854 O GLN A 55 -0.891 -2.974 -5.189 1.00 0.00 O ATOM 855 CB GLN A 55 -1.198 -6.324 -5.021 1.00 0.00 C ATOM 856 CG GLN A 55 -2.538 -6.619 -4.351 1.00 0.00 C ATOM 857 CD GLN A 55 -2.370 -7.851 -3.460 1.00 0.00 C ATOM 858 OE1 GLN A 55 -2.166 -7.758 -2.255 1.00 0.00 O ATOM 859 NE2 GLN A 55 -2.456 -9.006 -4.144 1.00 0.00 N ATOM 0 H GLN A 55 0.831 -5.079 -6.026 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.014 -5.447 -6.802 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.838 -7.229 -5.511 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.467 -6.064 -4.255 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.862 -5.764 -3.758 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.307 -6.796 -5.103 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.629 -8.992 -5.149 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.349 -9.896 -3.657 1.00 0.00 H new ATOM 868 N HIS A 56 -3.001 -3.836 -5.096 1.00 0.00 N ATOM 869 CA HIS A 56 -3.539 -2.606 -4.551 1.00 0.00 C ATOM 870 C HIS A 56 -4.724 -2.896 -3.626 1.00 0.00 C ATOM 871 O HIS A 56 -5.563 -3.747 -3.893 1.00 0.00 O ATOM 872 CB HIS A 56 -4.003 -1.706 -5.697 1.00 0.00 C ATOM 873 CG HIS A 56 -2.829 -1.346 -6.576 1.00 0.00 C ATOM 874 ND1 HIS A 56 -2.729 -1.694 -7.877 1.00 0.00 N ATOM 875 CD2 HIS A 56 -1.684 -0.615 -6.221 1.00 0.00 C ATOM 876 CE1 HIS A 56 -1.556 -1.188 -8.301 1.00 0.00 C ATOM 877 NE2 HIS A 56 -0.904 -0.531 -7.323 1.00 0.00 N ATOM 0 H HIS A 56 -3.666 -4.600 -5.220 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.759 -2.109 -3.975 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.766 -2.216 -6.285 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.460 -0.801 -5.298 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.466 -0.197 -5.249 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.181 -1.296 -9.308 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.001 -0.063 -7.398 1.00 0.00 H new ATOM 885 N PHE A 57 -4.731 -2.111 -2.533 1.00 0.00 N ATOM 886 CA PHE A 57 -5.866 -2.181 -1.632 1.00 0.00 C ATOM 887 C PHE A 57 -6.285 -0.766 -1.233 1.00 0.00 C ATOM 888 O PHE A 57 -5.578 -0.061 -0.524 1.00 0.00 O ATOM 889 CB PHE A 57 -5.507 -2.971 -0.375 1.00 0.00 C ATOM 890 CG PHE A 57 -5.194 -4.401 -0.695 1.00 0.00 C ATOM 891 CD1 PHE A 57 -6.015 -5.130 -1.628 1.00 0.00 C ATOM 892 CD2 PHE A 57 -4.076 -5.059 -0.069 1.00 0.00 C ATOM 893 CE1 PHE A 57 -5.724 -6.507 -1.931 1.00 0.00 C ATOM 894 CE2 PHE A 57 -3.782 -6.435 -0.370 1.00 0.00 C ATOM 895 CZ PHE A 57 -4.607 -7.159 -1.301 1.00 0.00 C ATOM 0 H PHE A 57 -3.996 -1.455 -2.271 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.686 -2.685 -2.143 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.648 -2.510 0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.336 -2.928 0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.853 -4.641 -2.102 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.456 -4.517 0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.343 -7.050 -2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.943 -6.924 0.102 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.387 -8.192 -1.527 1.00 0.00 H new ATOM 905 N LYS A 58 -7.482 -0.404 -1.726 1.00 0.00 N ATOM 906 CA LYS A 58 -7.959 0.920 -1.382 1.00 0.00 C ATOM 907 C LYS A 58 -8.430 0.940 0.071 1.00 0.00 C ATOM 908 O LYS A 58 -9.390 0.281 0.452 1.00 0.00 O ATOM 909 CB LYS A 58 -9.103 1.329 -2.310 1.00 0.00 C ATOM 910 CG LYS A 58 -8.647 1.406 -3.766 1.00 0.00 C ATOM 911 CD LYS A 58 -9.738 1.958 -4.680 1.00 0.00 C ATOM 912 CE LYS A 58 -10.984 1.071 -4.684 1.00 0.00 C ATOM 913 NZ LYS A 58 -10.721 -0.251 -5.237 1.00 0.00 N ATOM 0 H LYS A 58 -8.089 -0.970 -2.319 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.142 1.631 -1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.918 0.611 -2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.495 2.297 -2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.762 2.038 -3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.356 0.413 -4.108 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.009 2.963 -4.355 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.351 2.045 -5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.357 0.968 -3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.770 1.555 -5.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.618 -0.767 -5.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.264 -0.154 -6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.094 -0.777 -4.596 1.00 0.00 H new ATOM 927 N VAL A 59 -7.695 1.758 0.847 1.00 0.00 N ATOM 928 CA VAL A 59 -8.135 1.970 2.210 1.00 0.00 C ATOM 929 C VAL A 59 -9.239 3.028 2.192 1.00 0.00 C ATOM 930 O VAL A 59 -9.005 4.204 1.939 1.00 0.00 O ATOM 931 CB VAL A 59 -6.957 2.418 3.073 1.00 0.00 C ATOM 932 CG1 VAL A 59 -7.393 2.578 4.528 1.00 0.00 C ATOM 933 CG2 VAL A 59 -5.799 1.426 2.966 1.00 0.00 C ATOM 0 H VAL A 59 -6.847 2.250 0.565 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.524 1.046 2.638 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.612 3.385 2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.542 2.898 5.130 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.183 3.326 4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.765 1.625 4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.971 1.765 3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.129 0.444 3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.470 1.361 1.929 1.00 0.00 H new ATOM 943 N LEU A 60 -10.458 2.516 2.433 1.00 0.00 N ATOM 944 CA LEU A 60 -11.611 3.331 2.121 1.00 0.00 C ATOM 945 C LEU A 60 -12.140 4.075 3.347 1.00 0.00 C ATOM 946 O LEU A 60 -11.865 3.744 4.495 1.00 0.00 O ATOM 947 CB LEU A 60 -12.703 2.426 1.565 1.00 0.00 C ATOM 948 CG LEU A 60 -12.246 1.685 0.306 1.00 0.00 C ATOM 949 CD1 LEU A 60 -13.355 0.781 -0.230 1.00 0.00 C ATOM 950 CD2 LEU A 60 -11.777 2.660 -0.775 1.00 0.00 C ATOM 0 H LEU A 60 -10.652 1.593 2.821 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.314 4.083 1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.997 1.702 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.586 3.022 1.335 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.398 1.059 0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.004 0.266 -1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.625 0.047 0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.228 1.384 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.459 2.102 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.596 3.327 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.941 3.248 -0.397 1.00 0.00 H new ATOM 962 N ARG A 61 -12.938 5.098 2.987 1.00 0.00 N ATOM 963 CA ARG A 61 -13.645 5.875 3.985 1.00 0.00 C ATOM 964 C ARG A 61 -12.663 6.810 4.710 1.00 0.00 C ATOM 965 O ARG A 61 -11.864 7.495 4.085 1.00 0.00 O ATOM 966 CB ARG A 61 -14.401 4.925 4.922 1.00 0.00 C ATOM 967 CG ARG A 61 -15.502 5.625 5.725 1.00 0.00 C ATOM 968 CD ARG A 61 -16.540 6.271 4.809 1.00 0.00 C ATOM 969 NE ARG A 61 -17.589 6.891 5.597 1.00 0.00 N ATOM 970 CZ ARG A 61 -17.403 8.145 6.050 1.00 0.00 C ATOM 971 NH1 ARG A 61 -16.275 8.796 5.781 1.00 0.00 N ATOM 972 NH2 ARG A 61 -18.351 8.736 6.771 1.00 0.00 N ATOM 0 H ARG A 61 -13.099 5.392 2.023 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.391 6.520 3.521 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.843 4.120 4.335 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.693 4.464 5.611 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.992 4.903 6.379 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.058 6.386 6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.062 7.018 4.176 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.969 5.519 4.147 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.451 6.386 5.804 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.545 8.345 5.229 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.140 9.746 6.127 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.217 8.239 6.980 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.212 9.686 7.115 1.00 0.00 H new ATOM 986 N ASP A 62 -12.790 6.787 6.051 1.00 0.00 N ATOM 987 CA ASP A 62 -12.016 7.663 6.916 1.00 0.00 C ATOM 988 C ASP A 62 -12.880 8.853 7.340 1.00 0.00 C ATOM 989 O ASP A 62 -12.890 9.902 6.707 1.00 0.00 O ATOM 990 CB ASP A 62 -10.742 8.157 6.227 1.00 0.00 C ATOM 991 CG ASP A 62 -9.827 8.821 7.258 1.00 0.00 C ATOM 992 OD1 ASP A 62 -9.928 8.482 8.436 1.00 0.00 O ATOM 993 OD2 ASP A 62 -9.028 9.671 6.871 1.00 0.00 O ATOM 0 H ASP A 62 -13.427 6.165 6.549 1.00 0.00 H new ATOM 0 HA ASP A 62 -11.714 7.093 7.795 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.226 7.323 5.752 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.994 8.866 5.439 1.00 0.00 H new ATOM 998 N GLY A 63 -13.596 8.615 8.453 1.00 0.00 N ATOM 999 CA GLY A 63 -14.454 9.675 8.948 1.00 0.00 C ATOM 1000 C GLY A 63 -15.584 9.103 9.811 1.00 0.00 C ATOM 1001 O GLY A 63 -15.933 9.642 10.854 1.00 0.00 O ATOM 0 H GLY A 63 -13.594 7.749 8.991 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -13.866 10.382 9.533 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.876 10.229 8.109 1.00 0.00 H new ATOM 1005 N ALA A 64 -16.120 7.975 9.311 1.00 0.00 N ATOM 1006 CA ALA A 64 -17.182 7.330 10.060 1.00 0.00 C ATOM 1007 C ALA A 64 -16.806 5.869 10.309 1.00 0.00 C ATOM 1008 O ALA A 64 -16.884 5.357 11.420 1.00 0.00 O ATOM 1009 CB ALA A 64 -18.491 7.415 9.274 1.00 0.00 C ATOM 0 H ALA A 64 -15.847 7.521 8.440 1.00 0.00 H new ATOM 0 HA ALA A 64 -17.317 7.833 11.018 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -19.287 6.930 9.839 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.749 8.461 9.109 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -18.371 6.915 8.313 1.00 0.00 H new ATOM 1015 N GLY A 65 -16.378 5.246 9.197 1.00 0.00 N ATOM 1016 CA GLY A 65 -15.886 3.884 9.317 1.00 0.00 C ATOM 1017 C GLY A 65 -14.350 3.812 9.224 1.00 0.00 C ATOM 1018 O GLY A 65 -13.787 2.814 8.792 1.00 0.00 O ATOM 0 H GLY A 65 -16.365 5.645 8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.211 3.464 10.269 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.325 3.270 8.531 1.00 0.00 H new ATOM 1022 N LYS A 66 -13.713 4.927 9.644 1.00 0.00 N ATOM 1023 CA LYS A 66 -12.265 5.009 9.584 1.00 0.00 C ATOM 1024 C LYS A 66 -11.738 4.285 8.333 1.00 0.00 C ATOM 1025 O LYS A 66 -12.322 4.363 7.258 1.00 0.00 O ATOM 1026 CB LYS A 66 -11.661 4.459 10.881 1.00 0.00 C ATOM 1027 CG LYS A 66 -12.290 5.108 12.115 1.00 0.00 C ATOM 1028 CD LYS A 66 -11.478 4.861 13.389 1.00 0.00 C ATOM 1029 CE LYS A 66 -10.377 5.909 13.571 1.00 0.00 C ATOM 1030 NZ LYS A 66 -9.410 5.909 12.482 1.00 0.00 N ATOM 0 H LYS A 66 -14.178 5.755 10.017 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.958 6.051 9.497 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -11.808 3.380 10.922 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.585 4.635 10.885 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.382 6.181 11.949 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.299 4.719 12.251 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.142 4.877 14.253 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.032 3.867 13.349 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.831 6.897 13.647 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.858 5.724 14.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.458 6.079 12.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.431 4.988 12.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.650 6.660 11.804 1.00 0.00 H new ATOM 1044 N TYR A 67 -10.611 3.583 8.542 1.00 0.00 N ATOM 1045 CA TYR A 67 -10.016 2.878 7.421 1.00 0.00 C ATOM 1046 C TYR A 67 -10.490 1.425 7.407 1.00 0.00 C ATOM 1047 O TYR A 67 -10.433 0.722 8.409 1.00 0.00 O ATOM 1048 CB TYR A 67 -8.494 2.909 7.560 1.00 0.00 C ATOM 1049 CG TYR A 67 -7.965 4.310 7.504 1.00 0.00 C ATOM 1050 CD1 TYR A 67 -8.406 5.218 6.477 1.00 0.00 C ATOM 1051 CD2 TYR A 67 -7.008 4.757 8.482 1.00 0.00 C ATOM 1052 CE1 TYR A 67 -7.893 6.562 6.427 1.00 0.00 C ATOM 1053 CE2 TYR A 67 -6.494 6.099 8.437 1.00 0.00 C ATOM 1054 CZ TYR A 67 -6.937 7.003 7.409 1.00 0.00 C ATOM 1055 OH TYR A 67 -6.448 8.292 7.365 1.00 0.00 O ATOM 0 H TYR A 67 -10.123 3.496 9.433 1.00 0.00 H new ATOM 0 HA TYR A 67 -10.316 3.362 6.492 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.204 2.447 8.504 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.043 2.317 6.764 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -9.125 4.889 5.741 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.674 4.080 9.254 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.225 7.239 5.654 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.776 6.428 9.174 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.188 8.918 7.218 1.00 0.00 H new ATOM 1065 N PHE A 68 -10.946 1.015 6.208 1.00 0.00 N ATOM 1066 CA PHE A 68 -11.307 -0.387 6.109 1.00 0.00 C ATOM 1067 C PHE A 68 -11.069 -0.909 4.689 1.00 0.00 C ATOM 1068 O PHE A 68 -11.367 -0.257 3.696 1.00 0.00 O ATOM 1069 CB PHE A 68 -12.764 -0.602 6.525 1.00 0.00 C ATOM 1070 CG PHE A 68 -13.730 -0.020 5.536 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -13.963 -0.676 4.275 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -14.444 1.192 5.846 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -14.900 -0.127 3.331 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -15.383 1.742 4.905 1.00 0.00 C ATOM 1075 CZ PHE A 68 -15.610 1.083 3.647 1.00 0.00 C ATOM 0 H PHE A 68 -11.062 1.585 5.370 1.00 0.00 H new ATOM 0 HA PHE A 68 -10.670 -0.950 6.791 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.955 -1.670 6.631 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -12.931 -0.149 7.502 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -13.431 -1.585 4.037 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -14.274 1.690 6.789 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.070 -0.623 2.387 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -15.917 2.650 5.143 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.314 1.497 2.940 1.00 0.00 H new ATOM 1085 N LEU A 69 -10.516 -2.135 4.679 1.00 0.00 N ATOM 1086 CA LEU A 69 -10.306 -2.806 3.409 1.00 0.00 C ATOM 1087 C LEU A 69 -11.614 -3.458 2.951 1.00 0.00 C ATOM 1088 O LEU A 69 -12.017 -3.354 1.799 1.00 0.00 O ATOM 1089 CB LEU A 69 -9.230 -3.878 3.579 1.00 0.00 C ATOM 1090 CG LEU A 69 -7.849 -3.274 3.834 1.00 0.00 C ATOM 1091 CD1 LEU A 69 -7.001 -4.205 4.699 1.00 0.00 C ATOM 1092 CD2 LEU A 69 -7.131 -2.980 2.519 1.00 0.00 C ATOM 0 H LEU A 69 -10.221 -2.654 5.506 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.985 -2.082 2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.498 -4.531 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.194 -4.499 2.684 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.990 -2.335 4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.023 -3.755 4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.497 -4.364 5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.877 -5.161 4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.151 -2.551 2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.010 -3.905 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.719 -2.273 1.933 1.00 0.00 H new ATOM 1104 N TRP A 70 -12.242 -4.132 3.932 1.00 0.00 N ATOM 1105 CA TRP A 70 -13.472 -4.828 3.606 1.00 0.00 C ATOM 1106 C TRP A 70 -14.569 -4.445 4.604 1.00 0.00 C ATOM 1107 O TRP A 70 -15.369 -3.547 4.370 1.00 0.00 O ATOM 1108 CB TRP A 70 -13.237 -6.340 3.633 1.00 0.00 C ATOM 1109 CG TRP A 70 -12.195 -6.712 2.605 1.00 0.00 C ATOM 1110 CD1 TRP A 70 -12.004 -6.097 1.362 1.00 0.00 C ATOM 1111 CD2 TRP A 70 -11.213 -7.761 2.706 1.00 0.00 C ATOM 1112 NE1 TRP A 70 -10.979 -6.693 0.700 1.00 0.00 N ATOM 1113 CE2 TRP A 70 -10.446 -7.723 1.464 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -10.907 -8.716 3.704 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -9.391 -8.643 1.251 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -9.833 -9.656 3.492 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -9.074 -9.620 2.265 1.00 0.00 C ATOM 0 H TRP A 70 -11.931 -4.202 4.901 1.00 0.00 H new ATOM 0 HA TRP A 70 -13.792 -4.539 2.605 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -12.909 -6.649 4.625 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -14.169 -6.866 3.427 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.587 -5.270 0.985 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -10.648 -6.423 -0.226 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -11.476 -8.741 4.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -8.825 -8.614 0.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.597 -10.387 4.252 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.270 -10.323 2.106 1.00 0.00 H new ATOM 1128 N VAL A 71 -14.559 -5.200 5.718 1.00 0.00 N ATOM 1129 CA VAL A 71 -15.591 -4.979 6.712 1.00 0.00 C ATOM 1130 C VAL A 71 -14.989 -4.270 7.926 1.00 0.00 C ATOM 1131 O VAL A 71 -15.047 -3.054 8.063 1.00 0.00 O ATOM 1132 CB VAL A 71 -16.199 -6.323 7.124 1.00 0.00 C ATOM 1133 CG1 VAL A 71 -17.179 -6.151 8.285 1.00 0.00 C ATOM 1134 CG2 VAL A 71 -16.877 -6.998 5.932 1.00 0.00 C ATOM 0 H VAL A 71 -13.880 -5.929 5.935 1.00 0.00 H new ATOM 0 HA VAL A 71 -16.377 -4.351 6.293 1.00 0.00 H new ATOM 0 HB VAL A 71 -15.390 -6.969 7.465 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -17.595 -7.121 8.556 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -16.656 -5.728 9.143 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -17.985 -5.482 7.985 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -17.302 -7.951 6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -17.671 -6.354 5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -16.142 -7.171 5.145 1.00 0.00 H new ATOM 1144 N VAL A 72 -14.420 -5.122 8.796 1.00 0.00 N ATOM 1145 CA VAL A 72 -13.848 -4.591 10.016 1.00 0.00 C ATOM 1146 C VAL A 72 -12.914 -3.425 9.689 1.00 0.00 C ATOM 1147 O VAL A 72 -12.051 -3.508 8.822 1.00 0.00 O ATOM 1148 CB VAL A 72 -13.094 -5.707 10.735 1.00 0.00 C ATOM 1149 CG1 VAL A 72 -14.034 -6.878 11.024 1.00 0.00 C ATOM 1150 CG2 VAL A 72 -11.890 -6.162 9.912 1.00 0.00 C ATOM 0 H VAL A 72 -14.351 -6.133 8.676 1.00 0.00 H new ATOM 0 HA VAL A 72 -14.638 -4.218 10.668 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.723 -5.322 11.685 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.485 -7.667 11.537 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.855 -6.538 11.655 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -14.433 -7.264 10.086 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -11.367 -6.958 10.442 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -12.230 -6.533 8.945 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.214 -5.321 9.761 1.00 0.00 H new ATOM 1160 N LYS A 73 -13.161 -2.334 10.435 1.00 0.00 N ATOM 1161 CA LYS A 73 -12.383 -1.138 10.180 1.00 0.00 C ATOM 1162 C LYS A 73 -11.031 -1.236 10.885 1.00 0.00 C ATOM 1163 O LYS A 73 -10.642 -2.274 11.407 1.00 0.00 O ATOM 1164 CB LYS A 73 -13.122 0.100 10.694 1.00 0.00 C ATOM 1165 CG LYS A 73 -14.440 0.373 9.967 1.00 0.00 C ATOM 1166 CD LYS A 73 -15.587 -0.522 10.443 1.00 0.00 C ATOM 1167 CE LYS A 73 -16.919 -0.119 9.808 1.00 0.00 C ATOM 1168 NZ LYS A 73 -18.023 -0.958 10.258 1.00 0.00 N ATOM 0 H LYS A 73 -13.857 -2.266 11.178 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.234 -1.049 9.104 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.323 -0.023 11.758 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.473 0.969 10.590 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.718 1.417 10.112 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.294 0.227 8.897 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.365 -1.560 10.196 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.668 -0.463 11.528 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.134 0.922 10.050 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.836 -0.183 8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.904 -0.647 9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.832 -1.948 10.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.122 -0.878 11.290 1.00 0.00 H new ATOM 1182 N PHE A 74 -10.361 -0.071 10.873 1.00 0.00 N ATOM 1183 CA PHE A 74 -9.091 0.001 11.570 1.00 0.00 C ATOM 1184 C PHE A 74 -8.909 1.419 12.112 1.00 0.00 C ATOM 1185 O PHE A 74 -9.148 2.407 11.429 1.00 0.00 O ATOM 1186 CB PHE A 74 -7.923 -0.346 10.640 1.00 0.00 C ATOM 1187 CG PHE A 74 -8.134 -1.632 9.892 1.00 0.00 C ATOM 1188 CD1 PHE A 74 -7.862 -2.895 10.529 1.00 0.00 C ATOM 1189 CD2 PHE A 74 -8.613 -1.612 8.533 1.00 0.00 C ATOM 1190 CE1 PHE A 74 -8.064 -4.128 9.815 1.00 0.00 C ATOM 1191 CE2 PHE A 74 -8.816 -2.843 7.816 1.00 0.00 C ATOM 1192 CZ PHE A 74 -8.541 -4.101 8.458 1.00 0.00 C ATOM 0 H PHE A 74 -10.666 0.786 10.411 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.097 -0.723 12.385 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.781 0.465 9.926 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.007 -0.419 11.227 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.505 -2.917 11.548 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.821 -0.668 8.050 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.858 -5.072 10.297 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.174 -2.823 6.797 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.693 -5.026 7.921 1.00 0.00 H new ATOM 1202 N ASN A 75 -8.479 1.447 13.385 1.00 0.00 N ATOM 1203 CA ASN A 75 -8.284 2.745 14.007 1.00 0.00 C ATOM 1204 C ASN A 75 -7.275 3.621 13.233 1.00 0.00 C ATOM 1205 O ASN A 75 -7.285 4.840 13.346 1.00 0.00 O ATOM 1206 CB ASN A 75 -7.815 2.554 15.448 1.00 0.00 C ATOM 1207 CG ASN A 75 -8.803 1.661 16.202 1.00 0.00 C ATOM 1208 OD1 ASN A 75 -9.844 1.271 15.689 1.00 0.00 O ATOM 1209 ND2 ASN A 75 -8.398 1.367 17.450 1.00 0.00 N ATOM 0 H ASN A 75 -8.273 0.634 13.965 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.240 3.268 13.991 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.822 2.104 15.460 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.733 3.521 15.944 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.976 0.776 18.048 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.513 1.735 17.799 1.00 0.00 H new ATOM 1216 N SER A 76 -6.416 2.944 12.444 1.00 0.00 N ATOM 1217 CA SER A 76 -5.477 3.693 11.634 1.00 0.00 C ATOM 1218 C SER A 76 -4.829 2.747 10.622 1.00 0.00 C ATOM 1219 O SER A 76 -4.848 1.532 10.775 1.00 0.00 O ATOM 1220 CB SER A 76 -4.406 4.331 12.519 1.00 0.00 C ATOM 1221 OG SER A 76 -4.990 5.180 13.475 1.00 0.00 O ATOM 0 H SER A 76 -6.363 1.929 12.361 1.00 0.00 H new ATOM 0 HA SER A 76 -6.004 4.488 11.107 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.831 3.553 13.020 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.707 4.896 11.902 1.00 0.00 H new ATOM 0 HG SER A 76 -5.848 5.512 13.137 1.00 0.00 H new ATOM 1227 N LEU A 77 -4.258 3.380 9.583 1.00 0.00 N ATOM 1228 CA LEU A 77 -3.567 2.563 8.603 1.00 0.00 C ATOM 1229 C LEU A 77 -2.674 1.529 9.305 1.00 0.00 C ATOM 1230 O LEU A 77 -2.590 0.375 8.905 1.00 0.00 O ATOM 1231 CB LEU A 77 -2.717 3.453 7.695 1.00 0.00 C ATOM 1232 CG LEU A 77 -3.563 4.489 6.957 1.00 0.00 C ATOM 1233 CD1 LEU A 77 -2.675 5.429 6.143 1.00 0.00 C ATOM 1234 CD2 LEU A 77 -4.592 3.806 6.058 1.00 0.00 C ATOM 0 H LEU A 77 -4.263 4.386 9.414 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.306 2.035 8.000 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.960 3.961 8.291 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.189 2.833 6.970 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.099 5.082 7.698 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.297 6.159 5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.986 5.947 6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.108 4.852 5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.183 4.562 5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.079 3.184 5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.249 3.183 6.665 1.00 0.00 H new ATOM 1246 N ASN A 78 -2.022 2.023 10.375 1.00 0.00 N ATOM 1247 CA ASN A 78 -1.136 1.152 11.124 1.00 0.00 C ATOM 1248 C ASN A 78 -1.862 -0.122 11.568 1.00 0.00 C ATOM 1249 O ASN A 78 -1.300 -1.209 11.565 1.00 0.00 O ATOM 1250 CB ASN A 78 -0.621 1.898 12.353 1.00 0.00 C ATOM 1251 CG ASN A 78 0.121 3.164 11.923 1.00 0.00 C ATOM 1252 OD1 ASN A 78 -0.658 4.261 11.935 1.00 0.00 O flip ATOM 1253 ND2 ASN A 78 1.306 3.146 11.616 1.00 0.00 N flip ATOM 0 H ASN A 78 -2.094 2.981 10.719 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.304 0.866 10.480 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.454 2.159 13.006 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.045 1.254 12.927 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.824 2.268 11.634 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.775 4.009 11.342 1.00 0.00 H new ATOM 1260 N GLU A 79 -3.139 0.078 11.947 1.00 0.00 N ATOM 1261 CA GLU A 79 -3.921 -1.074 12.351 1.00 0.00 C ATOM 1262 C GLU A 79 -4.243 -1.987 11.152 1.00 0.00 C ATOM 1263 O GLU A 79 -4.407 -3.192 11.302 1.00 0.00 O ATOM 1264 CB GLU A 79 -5.198 -0.582 13.016 1.00 0.00 C ATOM 1265 CG GLU A 79 -4.973 -0.151 14.467 1.00 0.00 C ATOM 1266 CD GLU A 79 -3.961 0.993 14.536 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -2.763 0.725 14.455 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -4.382 2.140 14.679 1.00 0.00 O ATOM 0 H GLU A 79 -3.618 0.978 11.978 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.342 -1.672 13.056 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.599 0.258 12.449 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.947 -1.373 12.987 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.918 0.165 14.909 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.614 -0.998 15.052 1.00 0.00 H new ATOM 1275 N LEU A 80 -4.311 -1.356 9.963 1.00 0.00 N ATOM 1276 CA LEU A 80 -4.527 -2.157 8.773 1.00 0.00 C ATOM 1277 C LEU A 80 -3.291 -3.022 8.530 1.00 0.00 C ATOM 1278 O LEU A 80 -3.368 -4.229 8.338 1.00 0.00 O ATOM 1279 CB LEU A 80 -4.792 -1.231 7.585 1.00 0.00 C ATOM 1280 CG LEU A 80 -5.160 -1.980 6.302 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -5.917 -1.052 5.354 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -3.929 -2.550 5.590 1.00 0.00 C ATOM 0 H LEU A 80 -4.224 -0.350 9.816 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.391 -2.809 8.900 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.600 -0.545 7.841 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.905 -0.625 7.401 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.795 -2.819 6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.175 -1.593 4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.828 -0.702 5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.289 -0.198 5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.241 -3.072 4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.253 -1.737 5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.416 -3.247 6.253 1.00 0.00 H new ATOM 1294 N VAL A 81 -2.150 -2.312 8.566 1.00 0.00 N ATOM 1295 CA VAL A 81 -0.887 -3.007 8.402 1.00 0.00 C ATOM 1296 C VAL A 81 -0.692 -4.056 9.508 1.00 0.00 C ATOM 1297 O VAL A 81 -0.161 -5.135 9.278 1.00 0.00 O ATOM 1298 CB VAL A 81 0.251 -1.984 8.433 1.00 0.00 C ATOM 1299 CG1 VAL A 81 1.614 -2.668 8.355 1.00 0.00 C ATOM 1300 CG2 VAL A 81 0.091 -0.967 7.303 1.00 0.00 C ATOM 0 H VAL A 81 -2.086 -1.303 8.701 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.887 -3.529 7.445 1.00 0.00 H new ATOM 0 HB VAL A 81 0.199 -1.455 9.384 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.401 -1.914 8.379 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.731 -3.343 9.203 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.684 -3.236 7.427 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.909 -0.248 7.342 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.107 -1.484 6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.858 -0.443 7.417 1.00 0.00 H new ATOM 1310 N ASP A 82 -1.156 -3.673 10.714 1.00 0.00 N ATOM 1311 CA ASP A 82 -1.015 -4.584 11.835 1.00 0.00 C ATOM 1312 C ASP A 82 -1.965 -5.784 11.697 1.00 0.00 C ATOM 1313 O ASP A 82 -1.633 -6.904 12.065 1.00 0.00 O ATOM 1314 CB ASP A 82 -1.302 -3.839 13.139 1.00 0.00 C ATOM 1315 CG ASP A 82 -1.108 -4.781 14.329 1.00 0.00 C ATOM 1316 OD1 ASP A 82 0.026 -4.928 14.782 1.00 0.00 O ATOM 1317 OD2 ASP A 82 -2.094 -5.352 14.793 1.00 0.00 O ATOM 0 H ASP A 82 -1.608 -2.782 10.919 1.00 0.00 H new ATOM 0 HA ASP A 82 0.007 -4.962 11.846 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.637 -2.980 13.231 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.322 -3.454 13.131 1.00 0.00 H new ATOM 1322 N TYR A 83 -3.158 -5.482 11.148 1.00 0.00 N ATOM 1323 CA TYR A 83 -4.120 -6.556 10.984 1.00 0.00 C ATOM 1324 C TYR A 83 -3.491 -7.695 10.178 1.00 0.00 C ATOM 1325 O TYR A 83 -3.592 -8.865 10.525 1.00 0.00 O ATOM 1326 CB TYR A 83 -5.365 -6.030 10.270 1.00 0.00 C ATOM 1327 CG TYR A 83 -6.385 -7.113 10.074 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -6.522 -8.170 11.044 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -7.235 -7.104 8.911 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -7.500 -9.209 10.853 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -8.214 -8.141 8.718 1.00 0.00 C ATOM 1332 CZ TYR A 83 -8.345 -9.193 9.690 1.00 0.00 C ATOM 1333 OH TYR A 83 -9.283 -10.189 9.505 1.00 0.00 O ATOM 0 H TYR A 83 -3.455 -4.559 10.832 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.409 -6.935 11.964 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.802 -5.217 10.850 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.083 -5.615 9.302 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -5.888 -8.183 11.918 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.137 -6.315 8.180 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -7.599 -9.999 11.582 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.849 -8.129 7.845 1.00 0.00 H new ATOM 0 HH TYR A 83 -9.771 -10.028 8.670 1.00 0.00 H new ATOM 1343 N HIS A 84 -2.832 -7.266 9.086 1.00 0.00 N ATOM 1344 CA HIS A 84 -2.164 -8.255 8.254 1.00 0.00 C ATOM 1345 C HIS A 84 -1.018 -8.984 8.998 1.00 0.00 C ATOM 1346 O HIS A 84 -0.476 -9.958 8.493 1.00 0.00 O ATOM 1347 CB HIS A 84 -1.644 -7.574 6.984 1.00 0.00 C ATOM 1348 CG HIS A 84 -0.934 -8.578 6.108 1.00 0.00 C ATOM 1349 ND1 HIS A 84 -1.529 -9.279 5.120 1.00 0.00 N ATOM 1350 CD2 HIS A 84 0.420 -8.948 6.164 1.00 0.00 C ATOM 1351 CE1 HIS A 84 -0.565 -10.051 4.591 1.00 0.00 C ATOM 1352 NE2 HIS A 84 0.622 -9.874 5.201 1.00 0.00 N ATOM 0 H HIS A 84 -2.754 -6.296 8.780 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.892 -9.022 7.992 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.474 -7.126 6.437 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -0.963 -6.765 7.249 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -2.507 -9.232 4.834 1.00 0.00 H new ATOM 0 HD2 HIS A 84 1.161 -8.564 6.849 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.724 -10.735 3.771 1.00 0.00 H new ATOM 1360 N ARG A 85 -0.677 -8.480 10.202 1.00 0.00 N ATOM 1361 CA ARG A 85 0.358 -9.164 10.953 1.00 0.00 C ATOM 1362 C ARG A 85 -0.239 -10.401 11.632 1.00 0.00 C ATOM 1363 O ARG A 85 -0.029 -10.663 12.810 1.00 0.00 O ATOM 1364 CB ARG A 85 0.954 -8.202 11.984 1.00 0.00 C ATOM 1365 CG ARG A 85 2.138 -8.780 12.769 1.00 0.00 C ATOM 1366 CD ARG A 85 3.420 -8.888 11.939 1.00 0.00 C ATOM 1367 NE ARG A 85 3.300 -9.925 10.933 1.00 0.00 N ATOM 1368 CZ ARG A 85 3.380 -11.213 11.318 1.00 0.00 C ATOM 1369 NH1 ARG A 85 3.566 -11.521 12.599 1.00 0.00 N ATOM 1370 NH2 ARG A 85 3.272 -12.182 10.413 1.00 0.00 N ATOM 0 H ARG A 85 -1.082 -7.653 10.642 1.00 0.00 H new ATOM 0 HA ARG A 85 1.155 -9.491 10.285 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.278 -7.295 11.474 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.174 -7.911 12.687 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.329 -8.152 13.640 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.870 -9.769 13.141 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.628 -7.932 11.458 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.264 -9.106 12.593 1.00 0.00 H new ATOM 0 HE ARG A 85 3.158 -9.684 9.952 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.649 -10.780 13.295 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.626 -12.498 12.885 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.129 -11.949 9.430 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.332 -13.158 10.702 1.00 0.00 H new ATOM 1384 N SER A 86 -1.000 -11.135 10.801 1.00 0.00 N ATOM 1385 CA SER A 86 -1.624 -12.342 11.313 1.00 0.00 C ATOM 1386 C SER A 86 -1.720 -13.399 10.208 1.00 0.00 C ATOM 1387 O SER A 86 -1.478 -14.580 10.426 1.00 0.00 O ATOM 1388 CB SER A 86 -3.016 -12.014 11.851 1.00 0.00 C ATOM 1389 OG SER A 86 -3.625 -13.164 12.381 1.00 0.00 O ATOM 0 H SER A 86 -1.185 -10.920 9.821 1.00 0.00 H new ATOM 0 HA SER A 86 -1.014 -12.742 12.123 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.942 -11.247 12.622 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.634 -11.604 11.052 1.00 0.00 H new ATOM 0 HG SER A 86 -4.515 -12.935 12.722 1.00 0.00 H new ATOM 1395 N THR A 87 -2.085 -12.900 9.011 1.00 0.00 N ATOM 1396 CA THR A 87 -2.215 -13.823 7.899 1.00 0.00 C ATOM 1397 C THR A 87 -1.870 -13.102 6.588 1.00 0.00 C ATOM 1398 O THR A 87 -1.023 -12.218 6.550 1.00 0.00 O ATOM 1399 CB THR A 87 -3.637 -14.387 7.878 1.00 0.00 C ATOM 1400 OG1 THR A 87 -3.743 -15.372 6.881 1.00 0.00 O ATOM 1401 CG2 THR A 87 -4.679 -13.295 7.633 1.00 0.00 C ATOM 0 H THR A 87 -2.282 -11.920 8.807 1.00 0.00 H new ATOM 0 HA THR A 87 -1.520 -14.655 8.013 1.00 0.00 H new ATOM 0 HB THR A 87 -3.834 -14.824 8.857 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.593 -15.266 6.406 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.675 -13.738 7.626 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.619 -12.550 8.426 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.487 -12.818 6.672 1.00 0.00 H new ATOM 1409 N SER A 88 -2.577 -13.533 5.526 1.00 0.00 N ATOM 1410 CA SER A 88 -2.318 -12.924 4.236 1.00 0.00 C ATOM 1411 C SER A 88 -3.276 -11.749 4.020 1.00 0.00 C ATOM 1412 O SER A 88 -4.248 -11.571 4.745 1.00 0.00 O ATOM 1413 CB SER A 88 -2.502 -13.963 3.130 1.00 0.00 C ATOM 1414 OG SER A 88 -3.820 -14.450 3.121 1.00 0.00 O ATOM 0 H SER A 88 -3.291 -14.261 5.542 1.00 0.00 H new ATOM 0 HA SER A 88 -1.293 -12.555 4.208 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.267 -13.518 2.163 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.805 -14.788 3.279 1.00 0.00 H new ATOM 0 HG SER A 88 -4.228 -14.274 2.248 1.00 0.00 H new ATOM 1420 N VAL A 89 -2.940 -10.963 2.979 1.00 0.00 N ATOM 1421 CA VAL A 89 -3.831 -9.853 2.671 1.00 0.00 C ATOM 1422 C VAL A 89 -5.136 -10.339 2.022 1.00 0.00 C ATOM 1423 O VAL A 89 -6.194 -9.743 2.187 1.00 0.00 O ATOM 1424 CB VAL A 89 -3.161 -8.881 1.695 1.00 0.00 C ATOM 1425 CG1 VAL A 89 -1.792 -8.440 2.191 1.00 0.00 C ATOM 1426 CG2 VAL A 89 -3.034 -9.499 0.303 1.00 0.00 C ATOM 0 H VAL A 89 -2.119 -11.069 2.382 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.054 -9.358 3.616 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.802 -8.001 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.349 -7.751 1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.897 -7.940 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.147 -9.312 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.555 -8.787 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.431 -10.405 0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.025 -9.746 -0.077 1.00 0.00 H new ATOM 1436 N SER A 90 -4.983 -11.429 1.246 1.00 0.00 N ATOM 1437 CA SER A 90 -6.053 -11.783 0.342 1.00 0.00 C ATOM 1438 C SER A 90 -6.093 -13.302 0.150 1.00 0.00 C ATOM 1439 O SER A 90 -5.294 -14.046 0.704 1.00 0.00 O ATOM 1440 CB SER A 90 -5.783 -11.070 -0.982 1.00 0.00 C ATOM 1441 OG SER A 90 -6.598 -11.575 -2.010 1.00 0.00 O ATOM 0 H SER A 90 -4.167 -12.041 1.235 1.00 0.00 H new ATOM 0 HA SER A 90 -7.021 -11.479 0.740 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.962 -10.001 -0.865 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.734 -11.189 -1.255 1.00 0.00 H new ATOM 0 HG SER A 90 -6.405 -11.099 -2.845 1.00 0.00 H new ATOM 1447 N ARG A 91 -7.088 -13.698 -0.666 1.00 0.00 N ATOM 1448 CA ARG A 91 -7.296 -15.117 -0.899 1.00 0.00 C ATOM 1449 C ARG A 91 -5.960 -15.859 -0.983 1.00 0.00 C ATOM 1450 O ARG A 91 -5.800 -16.954 -0.458 1.00 0.00 O ATOM 1451 CB ARG A 91 -8.082 -15.310 -2.197 1.00 0.00 C ATOM 1452 CG ARG A 91 -9.431 -14.593 -2.161 1.00 0.00 C ATOM 1453 CD ARG A 91 -10.371 -15.194 -1.116 1.00 0.00 C ATOM 1454 NE ARG A 91 -10.620 -16.592 -1.417 1.00 0.00 N ATOM 1455 CZ ARG A 91 -11.721 -17.178 -0.911 1.00 0.00 C ATOM 1456 NH1 ARG A 91 -12.563 -16.481 -0.150 1.00 0.00 N ATOM 1457 NH2 ARG A 91 -11.970 -18.458 -1.172 1.00 0.00 N ATOM 0 H ARG A 91 -7.732 -13.074 -1.153 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.861 -15.529 -0.063 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -7.495 -14.936 -3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.242 -16.374 -2.369 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.274 -13.537 -1.943 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.898 -14.650 -3.144 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -9.932 -15.100 -0.123 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.312 -14.644 -1.102 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.972 -17.121 -2.001 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.375 -15.499 0.051 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.396 -16.929 0.231 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -11.327 -18.994 -1.755 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -12.804 -18.904 -0.789 1.00 0.00 H new ATOM 1471 N ASN A 92 -5.016 -15.190 -1.667 1.00 0.00 N ATOM 1472 CA ASN A 92 -3.712 -15.811 -1.783 1.00 0.00 C ATOM 1473 C ASN A 92 -3.042 -15.850 -0.409 1.00 0.00 C ATOM 1474 O ASN A 92 -2.367 -14.916 0.007 1.00 0.00 O ATOM 1475 CB ASN A 92 -2.850 -15.021 -2.766 1.00 0.00 C ATOM 1476 CG ASN A 92 -3.526 -14.979 -4.138 1.00 0.00 C ATOM 1477 OD1 ASN A 92 -4.443 -14.000 -4.241 1.00 0.00 O flip ATOM 1478 ND2 ASN A 92 -3.232 -15.765 -5.029 1.00 0.00 N flip ATOM 0 H ASN A 92 -5.128 -14.281 -2.116 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.825 -16.830 -2.154 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.697 -14.007 -2.395 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.865 -15.481 -2.850 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.523 -16.479 -4.865 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.696 -15.706 -5.935 1.00 0.00 H new ATOM 1485 N GLN A 93 -3.271 -16.997 0.254 1.00 0.00 N ATOM 1486 CA GLN A 93 -2.657 -17.171 1.556 1.00 0.00 C ATOM 1487 C GLN A 93 -1.148 -17.370 1.394 1.00 0.00 C ATOM 1488 O GLN A 93 -0.622 -18.469 1.526 1.00 0.00 O ATOM 1489 CB GLN A 93 -3.276 -18.381 2.256 1.00 0.00 C ATOM 1490 CG GLN A 93 -4.786 -18.224 2.440 1.00 0.00 C ATOM 1491 CD GLN A 93 -5.358 -19.464 3.130 1.00 0.00 C ATOM 1492 OE1 GLN A 93 -5.313 -20.573 2.612 1.00 0.00 O ATOM 1493 NE2 GLN A 93 -5.899 -19.195 4.333 1.00 0.00 N ATOM 0 H GLN A 93 -3.846 -17.772 -0.077 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.832 -16.282 2.162 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.073 -19.280 1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.804 -18.518 3.229 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.998 -17.336 3.035 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.266 -18.082 1.472 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.895 -18.240 4.692 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -6.313 -19.946 4.885 1.00 0.00 H new ATOM 1502 N GLN A 94 -0.498 -16.228 1.104 1.00 0.00 N ATOM 1503 CA GLN A 94 0.939 -16.265 0.912 1.00 0.00 C ATOM 1504 C GLN A 94 1.442 -14.851 0.602 1.00 0.00 C ATOM 1505 O GLN A 94 2.201 -14.623 -0.331 1.00 0.00 O ATOM 1506 CB GLN A 94 1.286 -17.220 -0.232 1.00 0.00 C ATOM 1507 CG GLN A 94 2.795 -17.407 -0.395 1.00 0.00 C ATOM 1508 CD GLN A 94 3.391 -17.968 0.897 1.00 0.00 C ATOM 1509 OE1 GLN A 94 2.738 -18.669 1.660 1.00 0.00 O ATOM 1510 NE2 GLN A 94 4.671 -17.600 1.089 1.00 0.00 N ATOM 0 H GLN A 94 -0.934 -15.311 1.003 1.00 0.00 H new ATOM 0 HA GLN A 94 1.423 -16.625 1.820 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.820 -18.188 -0.048 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.867 -16.836 -1.162 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.999 -18.084 -1.224 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.264 -16.454 -0.639 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.141 -17.012 0.401 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.171 -17.909 1.923 1.00 0.00 H new ATOM 1519 N ILE A 95 0.949 -13.923 1.441 1.00 0.00 N ATOM 1520 CA ILE A 95 1.291 -12.534 1.207 1.00 0.00 C ATOM 1521 C ILE A 95 1.729 -11.875 2.518 1.00 0.00 C ATOM 1522 O ILE A 95 1.052 -11.939 3.535 1.00 0.00 O ATOM 1523 CB ILE A 95 0.083 -11.819 0.601 1.00 0.00 C ATOM 1524 CG1 ILE A 95 -0.299 -12.488 -0.718 1.00 0.00 C ATOM 1525 CG2 ILE A 95 0.382 -10.334 0.388 1.00 0.00 C ATOM 1526 CD1 ILE A 95 -1.530 -11.860 -1.372 1.00 0.00 C ATOM 0 H ILE A 95 0.345 -14.106 2.242 1.00 0.00 H new ATOM 0 HA ILE A 95 2.124 -12.466 0.508 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.756 -11.893 1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.543 -12.426 -1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.489 -13.547 -0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.491 -9.845 -0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.621 -9.870 1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.230 -10.227 -0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.751 -12.379 -2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.383 -11.945 -0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.335 -10.808 -1.579 1.00 0.00 H new ATOM 1538 N PHE A 96 2.917 -11.249 2.414 1.00 0.00 N ATOM 1539 CA PHE A 96 3.470 -10.611 3.594 1.00 0.00 C ATOM 1540 C PHE A 96 3.824 -9.154 3.282 1.00 0.00 C ATOM 1541 O PHE A 96 4.333 -8.826 2.218 1.00 0.00 O ATOM 1542 CB PHE A 96 4.720 -11.360 4.052 1.00 0.00 C ATOM 1543 CG PHE A 96 5.322 -10.712 5.264 1.00 0.00 C ATOM 1544 CD1 PHE A 96 6.223 -9.598 5.116 1.00 0.00 C ATOM 1545 CD2 PHE A 96 5.001 -11.195 6.583 1.00 0.00 C ATOM 1546 CE1 PHE A 96 6.797 -8.969 6.276 1.00 0.00 C ATOM 1547 CE2 PHE A 96 5.574 -10.568 7.744 1.00 0.00 C ATOM 1548 CZ PHE A 96 6.472 -9.455 7.590 1.00 0.00 C ATOM 0 H PHE A 96 3.478 -11.179 1.565 1.00 0.00 H new ATOM 0 HA PHE A 96 2.727 -10.635 4.391 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.465 -12.396 4.278 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.452 -11.380 3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.469 -9.233 4.130 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.328 -12.031 6.700 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.471 -8.133 6.160 1.00 0.00 H new ATOM 0 HE2 PHE A 96 5.330 -10.933 8.731 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.902 -8.984 8.461 1.00 0.00 H new ATOM 1558 N LEU A 97 3.518 -8.307 4.283 1.00 0.00 N ATOM 1559 CA LEU A 97 3.840 -6.904 4.108 1.00 0.00 C ATOM 1560 C LEU A 97 5.235 -6.619 4.667 1.00 0.00 C ATOM 1561 O LEU A 97 5.446 -6.544 5.871 1.00 0.00 O ATOM 1562 CB LEU A 97 2.807 -6.038 4.832 1.00 0.00 C ATOM 1563 CG LEU A 97 1.391 -6.255 4.299 1.00 0.00 C ATOM 1564 CD1 LEU A 97 0.375 -5.474 5.133 1.00 0.00 C ATOM 1565 CD2 LEU A 97 1.302 -5.859 2.824 1.00 0.00 C ATOM 0 H LEU A 97 3.075 -8.560 5.166 1.00 0.00 H new ATOM 0 HA LEU A 97 3.824 -6.665 3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.830 -6.264 5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.077 -4.988 4.723 1.00 0.00 H new ATOM 0 HG LEU A 97 1.154 -7.316 4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.627 -5.642 4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.417 -5.812 6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.609 -4.410 5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.286 -6.021 2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.562 -4.806 2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.994 -6.467 2.242 1.00 0.00 H new ATOM 1577 N ARG A 98 6.167 -6.453 3.709 1.00 0.00 N ATOM 1578 CA ARG A 98 7.525 -6.151 4.119 1.00 0.00 C ATOM 1579 C ARG A 98 7.843 -4.690 3.773 1.00 0.00 C ATOM 1580 O ARG A 98 7.211 -4.077 2.920 1.00 0.00 O ATOM 1581 CB ARG A 98 8.482 -7.112 3.405 1.00 0.00 C ATOM 1582 CG ARG A 98 9.941 -7.006 3.864 1.00 0.00 C ATOM 1583 CD ARG A 98 10.191 -7.649 5.230 1.00 0.00 C ATOM 1584 NE ARG A 98 9.553 -6.887 6.289 1.00 0.00 N ATOM 1585 CZ ARG A 98 10.228 -5.890 6.892 1.00 0.00 C ATOM 1586 NH1 ARG A 98 11.476 -5.604 6.532 1.00 0.00 N ATOM 1587 NH2 ARG A 98 9.642 -5.186 7.857 1.00 0.00 N ATOM 0 H ARG A 98 6.007 -6.520 2.704 1.00 0.00 H new ATOM 0 HA ARG A 98 7.641 -6.280 5.195 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.137 -8.134 3.563 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.436 -6.922 2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.584 -7.481 3.123 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.226 -5.955 3.907 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.809 -8.670 5.231 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.263 -7.710 5.416 1.00 0.00 H new ATOM 0 HE ARG A 98 8.599 -7.106 6.575 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.930 -6.142 5.793 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.979 -4.847 6.994 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.685 -5.402 8.137 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.149 -4.430 8.317 1.00 0.00 H new ATOM 1601 N ASP A 99 8.856 -4.174 4.494 1.00 0.00 N ATOM 1602 CA ASP A 99 9.273 -2.818 4.190 1.00 0.00 C ATOM 1603 C ASP A 99 9.741 -2.743 2.735 1.00 0.00 C ATOM 1604 O ASP A 99 10.304 -3.682 2.186 1.00 0.00 O ATOM 1605 CB ASP A 99 10.384 -2.384 5.148 1.00 0.00 C ATOM 1606 CG ASP A 99 11.609 -3.291 5.004 1.00 0.00 C ATOM 1607 OD1 ASP A 99 11.587 -4.182 4.158 1.00 0.00 O ATOM 1608 OD2 ASP A 99 12.573 -3.095 5.743 1.00 0.00 O ATOM 0 H ASP A 99 9.364 -4.648 5.241 1.00 0.00 H new ATOM 0 HA ASP A 99 8.431 -2.138 4.320 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.664 -1.351 4.943 1.00 0.00 H new ATOM 0 HB3 ASP A 99 10.019 -2.418 6.175 1.00 0.00 H new ATOM 1613 N ILE A 100 9.448 -1.570 2.147 1.00 0.00 N ATOM 1614 CA ILE A 100 9.759 -1.405 0.739 1.00 0.00 C ATOM 1615 C ILE A 100 11.074 -0.632 0.527 1.00 0.00 C ATOM 1616 O ILE A 100 11.247 0.068 -0.462 1.00 0.00 O ATOM 1617 CB ILE A 100 8.603 -0.643 0.099 1.00 0.00 C ATOM 1618 CG1 ILE A 100 8.643 -0.723 -1.424 1.00 0.00 C ATOM 1619 CG2 ILE A 100 8.634 0.808 0.567 1.00 0.00 C ATOM 1620 CD1 ILE A 100 7.545 0.127 -2.058 1.00 0.00 C ATOM 0 H ILE A 100 9.018 -0.767 2.606 1.00 0.00 H new ATOM 0 HA ILE A 100 9.890 -2.386 0.283 1.00 0.00 H new ATOM 0 HB ILE A 100 7.669 -1.107 0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.616 -0.387 -1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.528 -1.760 -1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.809 1.355 0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.537 0.842 1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 100 9.579 1.265 0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.603 0.046 -3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.571 -0.226 -1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.676 1.168 -1.764 1.00 0.00 H new ATOM 1632 N GLU A 101 11.977 -0.781 1.514 1.00 0.00 N ATOM 1633 CA GLU A 101 13.207 -0.024 1.418 1.00 0.00 C ATOM 1634 C GLU A 101 14.347 -0.786 2.098 1.00 0.00 C ATOM 1635 O GLU A 101 14.349 -1.011 3.303 1.00 0.00 O ATOM 1636 CB GLU A 101 12.993 1.342 2.068 1.00 0.00 C ATOM 1637 CG GLU A 101 12.291 2.319 1.125 1.00 0.00 C ATOM 1638 CD GLU A 101 13.141 2.531 -0.130 1.00 0.00 C ATOM 1639 OE1 GLU A 101 14.322 2.843 0.007 1.00 0.00 O ATOM 1640 OE2 GLU A 101 12.611 2.381 -1.230 1.00 0.00 O ATOM 0 H GLU A 101 11.878 -1.382 2.332 1.00 0.00 H new ATOM 0 HA GLU A 101 13.481 0.118 0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.400 1.223 2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.956 1.756 2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.310 1.931 0.850 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.127 3.271 1.629 1.00 0.00 H new ATOM 1647 N GLN A 102 15.313 -1.152 1.238 1.00 0.00 N ATOM 1648 CA GLN A 102 16.476 -1.847 1.751 1.00 0.00 C ATOM 1649 C GLN A 102 17.712 -1.412 0.958 1.00 0.00 C ATOM 1650 O GLN A 102 17.807 -1.614 -0.247 1.00 0.00 O ATOM 1651 CB GLN A 102 16.254 -3.356 1.629 1.00 0.00 C ATOM 1652 CG GLN A 102 17.364 -4.176 2.293 1.00 0.00 C ATOM 1653 CD GLN A 102 18.699 -3.958 1.576 1.00 0.00 C ATOM 1654 OE1 GLN A 102 19.600 -3.295 2.076 1.00 0.00 O ATOM 1655 NE2 GLN A 102 18.758 -4.566 0.378 1.00 0.00 N ATOM 0 H GLN A 102 15.305 -0.983 0.232 1.00 0.00 H new ATOM 0 HA GLN A 102 16.632 -1.601 2.802 1.00 0.00 H new ATOM 0 HB2 GLN A 102 15.297 -3.615 2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 102 16.191 -3.625 0.575 1.00 0.00 H new ATOM 0 HG2 GLN A 102 17.457 -3.890 3.341 1.00 0.00 H new ATOM 0 HG3 GLN A 102 17.103 -5.234 2.273 1.00 0.00 H new ATOM 0 HE21 GLN A 102 17.959 -5.100 0.037 1.00 0.00 H new ATOM 0 HE22 GLN A 102 19.602 -4.493 -0.190 1.00 0.00 H new ATOM 1664 N VAL A 103 18.642 -0.799 1.713 1.00 0.00 N ATOM 1665 CA VAL A 103 19.840 -0.318 1.046 1.00 0.00 C ATOM 1666 C VAL A 103 21.013 -0.222 2.034 1.00 0.00 C ATOM 1667 O VAL A 103 22.015 -0.912 1.893 1.00 0.00 O ATOM 1668 CB VAL A 103 19.615 0.990 0.275 1.00 0.00 C ATOM 1669 CG1 VAL A 103 19.911 0.771 -1.206 1.00 0.00 C ATOM 1670 CG2 VAL A 103 18.194 1.542 0.441 1.00 0.00 C ATOM 0 H VAL A 103 18.588 -0.637 2.719 1.00 0.00 H new ATOM 0 HA VAL A 103 20.103 -1.056 0.288 1.00 0.00 H new ATOM 0 HB VAL A 103 20.297 1.730 0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 103 19.750 1.701 -1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.947 0.454 -1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 103 19.248 0.001 -1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 103 18.095 2.467 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 103 17.474 0.811 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 103 18.002 1.741 1.495 1.00 0.00 H new ATOM 1680 N PRO A 104 20.845 0.658 3.050 1.00 0.00 N ATOM 1681 CA PRO A 104 21.832 0.807 4.110 1.00 0.00 C ATOM 1682 C PRO A 104 22.373 -0.524 4.638 1.00 0.00 C ATOM 1683 O PRO A 104 21.653 -1.340 5.199 1.00 0.00 O ATOM 1684 CB PRO A 104 21.071 1.549 5.212 1.00 0.00 C ATOM 1685 CG PRO A 104 19.966 2.319 4.483 1.00 0.00 C ATOM 1686 CD PRO A 104 19.681 1.519 3.213 1.00 0.00 C ATOM 0 HA PRO A 104 22.716 1.331 3.748 1.00 0.00 H new ATOM 0 HB2 PRO A 104 20.653 0.853 5.940 1.00 0.00 H new ATOM 0 HB3 PRO A 104 21.728 2.225 5.759 1.00 0.00 H new ATOM 0 HG2 PRO A 104 19.073 2.404 5.102 1.00 0.00 H new ATOM 0 HG3 PRO A 104 20.286 3.333 4.244 1.00 0.00 H new ATOM 0 HD2 PRO A 104 18.766 0.934 3.310 1.00 0.00 H new ATOM 0 HD3 PRO A 104 19.550 2.175 2.353 1.00 0.00 H new ATOM 1694 N GLN A 105 23.694 -0.670 4.429 1.00 0.00 N ATOM 1695 CA GLN A 105 24.357 -1.858 4.932 1.00 0.00 C ATOM 1696 C GLN A 105 25.857 -1.585 5.058 1.00 0.00 C ATOM 1697 O GLN A 105 26.663 -2.010 4.238 1.00 0.00 O ATOM 1698 CB GLN A 105 24.122 -3.036 3.985 1.00 0.00 C ATOM 1699 CG GLN A 105 22.636 -3.349 3.810 1.00 0.00 C ATOM 1700 CD GLN A 105 22.468 -4.596 2.941 1.00 0.00 C ATOM 1701 OE1 GLN A 105 23.234 -4.851 2.019 1.00 0.00 O ATOM 1702 NE2 GLN A 105 21.418 -5.353 3.306 1.00 0.00 N ATOM 0 H GLN A 105 24.291 -0.005 3.936 1.00 0.00 H new ATOM 0 HA GLN A 105 23.948 -2.110 5.910 1.00 0.00 H new ATOM 0 HB2 GLN A 105 24.561 -2.812 3.013 1.00 0.00 H new ATOM 0 HB3 GLN A 105 24.634 -3.918 4.370 1.00 0.00 H new ATOM 0 HG2 GLN A 105 22.171 -3.507 4.783 1.00 0.00 H new ATOM 0 HG3 GLN A 105 22.128 -2.502 3.349 1.00 0.00 H new ATOM 0 HE21 GLN A 105 20.830 -5.066 4.088 1.00 0.00 H new ATOM 0 HE22 GLN A 105 21.210 -6.214 2.801 1.00 0.00 H new ATOM 1711 N GLN A 106 26.170 -0.850 6.141 1.00 0.00 N ATOM 1712 CA GLN A 106 27.559 -0.483 6.349 1.00 0.00 C ATOM 1713 C GLN A 106 28.068 -0.886 7.745 1.00 0.00 C ATOM 1714 O GLN A 106 29.167 -1.410 7.876 1.00 0.00 O ATOM 1715 CB GLN A 106 27.756 1.015 6.105 1.00 0.00 C ATOM 1716 CG GLN A 106 27.214 1.442 4.741 1.00 0.00 C ATOM 1717 CD GLN A 106 27.327 2.960 4.601 1.00 0.00 C ATOM 1718 OE1 GLN A 106 26.866 3.616 5.681 1.00 0.00 O flip ATOM 1719 NE2 GLN A 106 27.797 3.487 3.600 1.00 0.00 N flip ATOM 0 H GLN A 106 25.510 -0.519 6.845 1.00 0.00 H new ATOM 0 HA GLN A 106 28.155 -1.039 5.625 1.00 0.00 H new ATOM 0 HB2 GLN A 106 27.253 1.581 6.890 1.00 0.00 H new ATOM 0 HB3 GLN A 106 28.817 1.257 6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 106 27.773 0.950 3.945 1.00 0.00 H new ATOM 0 HG3 GLN A 106 26.174 1.133 4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 106 28.124 2.910 2.825 1.00 0.00 H new ATOM 0 HE22 GLN A 106 27.862 4.503 3.541 1.00 0.00 H new ATOM 1728 N PRO A 107 27.247 -0.622 8.796 1.00 0.00 N ATOM 1729 CA PRO A 107 27.665 -0.903 10.163 1.00 0.00 C ATOM 1730 C PRO A 107 28.203 -2.323 10.357 1.00 0.00 C ATOM 1731 O PRO A 107 27.516 -3.312 10.140 1.00 0.00 O ATOM 1732 CB PRO A 107 26.403 -0.682 10.997 1.00 0.00 C ATOM 1733 CG PRO A 107 25.545 0.272 10.163 1.00 0.00 C ATOM 1734 CD PRO A 107 25.908 -0.047 8.711 1.00 0.00 C ATOM 0 HA PRO A 107 28.495 -0.259 10.453 1.00 0.00 H new ATOM 0 HB2 PRO A 107 25.883 -1.621 11.183 1.00 0.00 H new ATOM 0 HB3 PRO A 107 26.642 -0.251 11.969 1.00 0.00 H new ATOM 0 HG2 PRO A 107 24.483 0.114 10.349 1.00 0.00 H new ATOM 0 HG3 PRO A 107 25.760 1.313 10.405 1.00 0.00 H new ATOM 0 HD2 PRO A 107 25.201 -0.748 8.268 1.00 0.00 H new ATOM 0 HD3 PRO A 107 25.898 0.850 8.091 1.00 0.00 H new ATOM 1742 N THR A 108 29.479 -2.342 10.785 1.00 0.00 N ATOM 1743 CA THR A 108 30.107 -3.626 11.032 1.00 0.00 C ATOM 1744 C THR A 108 29.988 -4.512 9.791 1.00 0.00 C ATOM 1745 O THR A 108 28.928 -5.032 9.466 1.00 0.00 O ATOM 1746 CB THR A 108 29.440 -4.303 12.229 1.00 0.00 C ATOM 1747 OG1 THR A 108 29.533 -3.463 13.351 1.00 0.00 O ATOM 1748 CG2 THR A 108 30.085 -5.651 12.547 1.00 0.00 C ATOM 0 H THR A 108 30.060 -1.521 10.956 1.00 0.00 H new ATOM 0 HA THR A 108 31.163 -3.473 11.253 1.00 0.00 H new ATOM 0 HB THR A 108 28.395 -4.482 11.976 1.00 0.00 H new ATOM 0 HG1 THR A 108 29.104 -3.895 14.119 1.00 0.00 H new ATOM 0 HG21 THR A 108 29.584 -6.101 13.404 1.00 0.00 H new ATOM 0 HG22 THR A 108 29.993 -6.311 11.684 1.00 0.00 H new ATOM 0 HG23 THR A 108 31.140 -5.504 12.780 1.00 0.00 H new ATOM 1756 N TYR A 109 31.153 -4.654 9.133 1.00 0.00 N ATOM 1757 CA TYR A 109 31.184 -5.493 7.951 1.00 0.00 C ATOM 1758 C TYR A 109 32.604 -5.527 7.384 1.00 0.00 C ATOM 1759 O TYR A 109 33.143 -4.525 6.929 1.00 0.00 O ATOM 1760 CB TYR A 109 30.207 -4.955 6.905 1.00 0.00 C ATOM 1761 CG TYR A 109 30.136 -5.855 5.707 1.00 0.00 C ATOM 1762 CD1 TYR A 109 29.248 -6.989 5.706 1.00 0.00 C ATOM 1763 CD2 TYR A 109 30.953 -5.593 4.550 1.00 0.00 C ATOM 1764 CE1 TYR A 109 29.175 -7.855 4.558 1.00 0.00 C ATOM 1765 CE2 TYR A 109 30.882 -6.456 3.401 1.00 0.00 C ATOM 1766 CZ TYR A 109 29.993 -7.586 3.406 1.00 0.00 C ATOM 1767 OH TYR A 109 29.924 -8.415 2.304 1.00 0.00 O ATOM 0 H TYR A 109 32.038 -4.217 9.392 1.00 0.00 H new ATOM 0 HA TYR A 109 30.885 -6.506 8.218 1.00 0.00 H new ATOM 0 HB2 TYR A 109 29.216 -4.857 7.347 1.00 0.00 H new ATOM 0 HB3 TYR A 109 30.517 -3.957 6.594 1.00 0.00 H new ATOM 0 HD1 TYR A 109 28.634 -7.191 6.571 1.00 0.00 H new ATOM 0 HD2 TYR A 109 31.622 -4.745 4.545 1.00 0.00 H new ATOM 0 HE1 TYR A 109 28.508 -8.704 4.562 1.00 0.00 H new ATOM 0 HE2 TYR A 109 31.496 -6.255 2.535 1.00 0.00 H new ATOM 0 HH TYR A 109 30.540 -8.092 1.613 1.00 0.00 H new ATOM 1777 N VAL A 110 33.170 -6.746 7.448 1.00 0.00 N ATOM 1778 CA VAL A 110 34.528 -6.896 6.963 1.00 0.00 C ATOM 1779 C VAL A 110 34.543 -6.865 5.434 1.00 0.00 C ATOM 1780 O VAL A 110 33.873 -7.642 4.764 1.00 0.00 O ATOM 1781 CB VAL A 110 35.116 -8.212 7.471 1.00 0.00 C ATOM 1782 CG1 VAL A 110 34.276 -9.392 6.989 1.00 0.00 C ATOM 1783 CG2 VAL A 110 36.572 -8.363 7.032 1.00 0.00 C ATOM 0 H VAL A 110 32.728 -7.590 7.811 1.00 0.00 H new ATOM 0 HA VAL A 110 35.135 -6.071 7.336 1.00 0.00 H new ATOM 0 HB VAL A 110 35.095 -8.200 8.561 1.00 0.00 H new ATOM 0 HG11 VAL A 110 34.708 -10.322 7.359 1.00 0.00 H new ATOM 0 HG12 VAL A 110 33.257 -9.291 7.364 1.00 0.00 H new ATOM 0 HG13 VAL A 110 34.262 -9.407 5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 110 36.969 -9.307 7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 110 36.627 -8.352 5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 110 37.161 -7.538 7.434 1.00 0.00 H new ATOM 1793 N GLN A 111 35.355 -5.915 4.935 1.00 0.00 N ATOM 1794 CA GLN A 111 35.460 -5.792 3.494 1.00 0.00 C ATOM 1795 C GLN A 111 36.647 -4.897 3.138 1.00 0.00 C ATOM 1796 O GLN A 111 36.728 -3.740 3.532 1.00 0.00 O ATOM 1797 CB GLN A 111 34.167 -5.203 2.931 1.00 0.00 C ATOM 1798 CG GLN A 111 34.211 -5.087 1.406 1.00 0.00 C ATOM 1799 CD GLN A 111 32.897 -4.495 0.889 1.00 0.00 C ATOM 1800 OE1 GLN A 111 32.391 -3.547 1.699 1.00 0.00 O flip ATOM 1801 NE2 GLN A 111 32.383 -4.876 -0.155 1.00 0.00 N flip ATOM 0 H GLN A 111 35.914 -5.261 5.483 1.00 0.00 H new ATOM 0 HA GLN A 111 35.618 -6.778 3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 111 33.325 -5.830 3.223 1.00 0.00 H new ATOM 0 HB3 GLN A 111 33.997 -4.218 3.366 1.00 0.00 H new ATOM 0 HG2 GLN A 111 35.047 -4.456 1.105 1.00 0.00 H new ATOM 0 HG3 GLN A 111 34.377 -6.069 0.963 1.00 0.00 H new ATOM 0 HE21 GLN A 111 32.835 -5.602 -0.711 1.00 0.00 H new ATOM 0 HE22 GLN A 111 31.503 -4.467 -0.469 1.00 0.00 H new ATOM 1810 N ALA A 112 37.559 -5.514 2.365 1.00 0.00 N ATOM 1811 CA ALA A 112 38.731 -4.763 1.957 1.00 0.00 C ATOM 1812 C ALA A 112 38.672 -4.495 0.452 1.00 0.00 C ATOM 1813 O ALA A 112 37.915 -3.618 0.041 1.00 0.00 O ATOM 1814 CB ALA A 112 39.995 -5.550 2.304 1.00 0.00 C ATOM 1815 OXT ALA A 112 39.388 -5.164 -0.292 1.00 0.00 O ATOM 0 H ALA A 112 37.505 -6.477 2.032 1.00 0.00 H new ATOM 0 HA ALA A 112 38.753 -3.810 2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 112 40.873 -4.982 1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 112 40.033 -5.722 3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 112 39.981 -6.508 1.784 1.00 0.00 H new TER 1821 ALA A 112