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 Set 1.1: A 28 HIS : no HE2:sc= -4.47! C(o=-4.5!,f=-5.7!) USER MOD Set 1.2: A 94 GLN : amide:sc= 0 X(o=-4.5,f=-4.2) USER MOD Set 2.1: A 76 SER OG : rot -111:sc= 1.1 USER MOD Set 2.2: A 78 ASN : amide:sc= 1.21 K(o=2.3,f=-2.1!) USER MOD Set 3.1: A 18 LYS NZ :NH3+ -125:sc= -1.01 (180deg=-1.17) USER MOD Set 3.2: A 22 MET CE :methyl -122:sc= -3.22! (180deg=-4.36!) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0488 (180deg=0) USER MOD Single : A 4 MET CE :methyl -156:sc= 0 (180deg=-0.0515) USER MOD Single : A 5 LYS NZ :NH3+ 168:sc= -1.18 (180deg=-1.48) USER MOD Single : A 7 HIS : no HD1:sc= -3.48 K(o=-3.5,f=-1.9) USER MOD Single : A 13 LYS NZ :NH3+ 171:sc=-0.00138 (180deg=-0.0834) USER MOD Single : A 24 SER OG : rot -58:sc= 1.14 USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= -0.0713 (180deg=-0.421) USER MOD Single : A 26 GLN : amide:sc= -1.75! C(o=-1.7!,f=-5.1!) USER MOD Single : A 37 SER OG : rot 61:sc= -0.866 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -110:sc= 0.909 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -113:sc= -5.31! (180deg=-6.6!) USER MOD Single : A 52 ASN : amide:sc= -0.0361 X(o=-0.036,f=-0.27) USER MOD Single : A 55 GLN : amide:sc= -5.04! C(o=-5!,f=-3!) USER MOD Single : A 56 HIS : no HD1:sc= -0.549 K(o=-0.55,f=-4.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -134:sc= -3.5! (180deg=-6.41!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 162:sc= -5.58! (180deg=-7.26!) USER MOD Single : A 75 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.42) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= -2.38 K(o=-2.4,f=-8.8!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -150:sc= -1.21! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -1.42 K(o=-1.4,f=-6.2!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN : amide:sc= -1.05 K(o=-1,f=-0.42) USER MOD Single : A 105 GLN : amide:sc= -1.36! K(o=-1.4!,f=-0.042) USER MOD Single : A 106 GLN : amide:sc= -3.57! K(o=-3.6!,f=-0.36) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.403 4.455 3.012 1.00 0.00 N ATOM 2 CA GLY A 1 25.408 5.272 4.220 1.00 0.00 C ATOM 3 C GLY A 1 24.648 4.603 5.367 1.00 0.00 C ATOM 4 O GLY A 1 23.853 3.693 5.173 1.00 0.00 O ATOM 0 H1 GLY A 1 26.359 4.083 2.841 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.740 3.663 3.131 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.107 5.036 2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.437 5.459 4.527 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.959 6.241 4.004 1.00 0.00 H new ATOM 10 N ILE A 2 24.956 5.118 6.570 1.00 0.00 N ATOM 11 CA ILE A 2 24.300 4.561 7.740 1.00 0.00 C ATOM 12 C ILE A 2 22.780 4.547 7.543 1.00 0.00 C ATOM 13 O ILE A 2 22.097 3.591 7.889 1.00 0.00 O ATOM 14 CB ILE A 2 24.663 5.386 8.975 1.00 0.00 C ATOM 15 CG1 ILE A 2 26.179 5.447 9.162 1.00 0.00 C ATOM 16 CG2 ILE A 2 23.981 4.831 10.226 1.00 0.00 C ATOM 17 CD1 ILE A 2 26.781 4.059 9.390 1.00 0.00 C ATOM 0 H ILE A 2 25.617 5.875 6.744 1.00 0.00 H new ATOM 0 HA ILE A 2 24.640 3.535 7.882 1.00 0.00 H new ATOM 0 HB ILE A 2 24.300 6.402 8.819 1.00 0.00 H new ATOM 0 HG12 ILE A 2 26.635 5.901 8.282 1.00 0.00 H new ATOM 0 HG13 ILE A 2 26.415 6.089 10.011 1.00 0.00 H new ATOM 0 HG21 ILE A 2 24.256 5.436 11.090 1.00 0.00 H new ATOM 0 HG22 ILE A 2 22.899 4.859 10.093 1.00 0.00 H new ATOM 0 HG23 ILE A 2 24.300 3.801 10.388 1.00 0.00 H new ATOM 0 HD11 ILE A 2 27.860 4.147 9.518 1.00 0.00 H new ATOM 0 HD12 ILE A 2 26.344 3.615 10.285 1.00 0.00 H new ATOM 0 HD13 ILE A 2 26.568 3.424 8.530 1.00 0.00 H new ATOM 29 N GLU A 3 22.301 5.664 6.962 1.00 0.00 N ATOM 30 CA GLU A 3 20.872 5.755 6.734 1.00 0.00 C ATOM 31 C GLU A 3 20.133 5.683 8.072 1.00 0.00 C ATOM 32 O GLU A 3 20.262 4.730 8.830 1.00 0.00 O ATOM 33 CB GLU A 3 20.420 4.619 5.817 1.00 0.00 C ATOM 34 CG GLU A 3 18.920 4.686 5.523 1.00 0.00 C ATOM 35 CD GLU A 3 18.585 6.010 4.837 1.00 0.00 C ATOM 36 OE1 GLU A 3 19.427 6.520 4.099 1.00 0.00 O ATOM 37 OE2 GLU A 3 17.486 6.520 5.050 1.00 0.00 O ATOM 0 H GLU A 3 22.856 6.466 6.662 1.00 0.00 H new ATOM 0 HA GLU A 3 20.641 6.706 6.253 1.00 0.00 H new ATOM 0 HB2 GLU A 3 20.976 4.665 4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 3 20.657 3.662 6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.628 3.852 4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 3 18.354 4.593 6.450 1.00 0.00 H new ATOM 44 N MET A 4 19.359 6.758 8.305 1.00 0.00 N ATOM 45 CA MET A 4 18.627 6.809 9.557 1.00 0.00 C ATOM 46 C MET A 4 17.354 5.968 9.442 1.00 0.00 C ATOM 47 O MET A 4 16.357 6.383 8.865 1.00 0.00 O ATOM 48 CB MET A 4 18.290 8.262 9.896 1.00 0.00 C ATOM 49 CG MET A 4 17.624 8.405 11.267 1.00 0.00 C ATOM 50 SD MET A 4 16.025 7.582 11.329 1.00 0.00 S ATOM 51 CE MET A 4 15.593 8.001 13.026 1.00 0.00 C ATOM 0 H MET A 4 19.235 7.553 7.678 1.00 0.00 H new ATOM 0 HA MET A 4 19.241 6.400 10.359 1.00 0.00 H new ATOM 0 HB2 MET A 4 19.203 8.858 9.875 1.00 0.00 H new ATOM 0 HB3 MET A 4 17.628 8.666 9.130 1.00 0.00 H new ATOM 0 HG2 MET A 4 18.277 7.986 12.033 1.00 0.00 H new ATOM 0 HG3 MET A 4 17.497 9.462 11.500 1.00 0.00 H new ATOM 0 HE1 MET A 4 14.880 7.271 13.411 1.00 0.00 H new ATOM 0 HE2 MET A 4 16.491 7.991 13.643 1.00 0.00 H new ATOM 0 HE3 MET A 4 15.145 8.994 13.053 1.00 0.00 H new ATOM 61 N LYS A 5 17.473 4.771 10.046 1.00 0.00 N ATOM 62 CA LYS A 5 16.366 3.829 10.080 1.00 0.00 C ATOM 63 C LYS A 5 15.826 3.566 8.669 1.00 0.00 C ATOM 64 O LYS A 5 15.920 4.390 7.768 1.00 0.00 O ATOM 65 CB LYS A 5 15.261 4.333 11.015 1.00 0.00 C ATOM 66 CG LYS A 5 14.092 4.979 10.268 1.00 0.00 C ATOM 67 CD LYS A 5 13.010 5.468 11.232 1.00 0.00 C ATOM 68 CE LYS A 5 11.831 6.102 10.493 1.00 0.00 C ATOM 69 NZ LYS A 5 11.111 5.139 9.669 1.00 0.00 N ATOM 0 H LYS A 5 18.321 4.446 10.510 1.00 0.00 H new ATOM 0 HA LYS A 5 16.733 2.881 10.473 1.00 0.00 H new ATOM 0 HB2 LYS A 5 14.888 3.499 11.610 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.684 5.057 11.711 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.457 5.817 9.674 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.662 4.259 9.572 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.654 4.631 11.833 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.440 6.195 11.921 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.145 6.541 11.217 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.194 6.915 9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.213 5.556 9.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.689 4.890 8.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.917 4.282 10.226 1.00 0.00 H new ATOM 83 N PRO A 6 15.254 2.351 8.538 1.00 0.00 N ATOM 84 CA PRO A 6 14.658 1.887 7.294 1.00 0.00 C ATOM 85 C PRO A 6 13.330 2.592 7.008 1.00 0.00 C ATOM 86 O PRO A 6 12.395 2.548 7.798 1.00 0.00 O ATOM 87 CB PRO A 6 14.398 0.401 7.545 1.00 0.00 C ATOM 88 CG PRO A 6 14.306 0.262 9.069 1.00 0.00 C ATOM 89 CD PRO A 6 15.189 1.382 9.622 1.00 0.00 C ATOM 0 HA PRO A 6 15.304 2.085 6.439 1.00 0.00 H new ATOM 0 HB2 PRO A 6 13.476 0.076 7.063 1.00 0.00 H new ATOM 0 HB3 PRO A 6 15.203 -0.213 7.141 1.00 0.00 H new ATOM 0 HG2 PRO A 6 13.277 0.364 9.413 1.00 0.00 H new ATOM 0 HG3 PRO A 6 14.657 -0.716 9.398 1.00 0.00 H new ATOM 0 HD2 PRO A 6 14.760 1.820 10.523 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.180 1.014 9.888 1.00 0.00 H new ATOM 97 N HIS A 7 13.311 3.236 5.826 1.00 0.00 N ATOM 98 CA HIS A 7 12.084 3.906 5.431 1.00 0.00 C ATOM 99 C HIS A 7 10.896 2.964 5.676 1.00 0.00 C ATOM 100 O HIS A 7 10.939 1.786 5.342 1.00 0.00 O ATOM 101 CB HIS A 7 12.164 4.282 3.951 1.00 0.00 C ATOM 102 CG HIS A 7 10.936 5.070 3.561 1.00 0.00 C ATOM 103 ND1 HIS A 7 9.774 4.509 3.159 1.00 0.00 N ATOM 104 CD2 HIS A 7 10.783 6.466 3.549 1.00 0.00 C ATOM 105 CE1 HIS A 7 8.941 5.535 2.911 1.00 0.00 C ATOM 106 NE2 HIS A 7 9.522 6.728 3.137 1.00 0.00 N ATOM 0 H HIS A 7 14.089 3.300 5.169 1.00 0.00 H new ATOM 0 HA HIS A 7 11.949 4.814 6.019 1.00 0.00 H new ATOM 0 HB2 HIS A 7 13.061 4.871 3.763 1.00 0.00 H new ATOM 0 HB3 HIS A 7 12.240 3.382 3.340 1.00 0.00 H new ATOM 0 HD2 HIS A 7 11.533 7.195 3.819 1.00 0.00 H new ATOM 0 HE1 HIS A 7 7.923 5.416 2.570 1.00 0.00 H new ATOM 0 HE2 HIS A 7 9.096 7.647 3.021 1.00 0.00 H new ATOM 114 N PRO A 8 9.838 3.534 6.298 1.00 0.00 N ATOM 115 CA PRO A 8 8.677 2.760 6.709 1.00 0.00 C ATOM 116 C PRO A 8 7.803 2.395 5.494 1.00 0.00 C ATOM 117 O PRO A 8 8.227 1.675 4.600 1.00 0.00 O ATOM 118 CB PRO A 8 7.977 3.686 7.714 1.00 0.00 C ATOM 119 CG PRO A 8 8.383 5.102 7.304 1.00 0.00 C ATOM 120 CD PRO A 8 9.761 4.944 6.662 1.00 0.00 C ATOM 0 HA PRO A 8 8.919 1.796 7.156 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.895 3.560 7.678 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.289 3.467 8.735 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.667 5.531 6.603 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.423 5.767 8.166 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.867 5.586 5.787 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.555 5.218 7.356 1.00 0.00 H new ATOM 128 N TRP A 9 6.563 2.916 5.530 1.00 0.00 N ATOM 129 CA TRP A 9 5.595 2.548 4.504 1.00 0.00 C ATOM 130 C TRP A 9 4.783 3.771 4.061 1.00 0.00 C ATOM 131 O TRP A 9 3.588 3.688 3.808 1.00 0.00 O ATOM 132 CB TRP A 9 4.661 1.413 4.975 1.00 0.00 C ATOM 133 CG TRP A 9 4.141 1.628 6.385 1.00 0.00 C ATOM 134 CD1 TRP A 9 4.763 1.154 7.547 1.00 0.00 C ATOM 135 CD2 TRP A 9 2.959 2.340 6.809 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.055 1.523 8.643 1.00 0.00 N ATOM 137 CE2 TRP A 9 2.937 2.254 8.267 1.00 0.00 C ATOM 138 CE3 TRP A 9 1.933 3.032 6.124 1.00 0.00 C ATOM 139 CZ2 TRP A 9 1.893 2.862 9.002 1.00 0.00 C ATOM 140 CZ3 TRP A 9 0.865 3.656 6.869 1.00 0.00 C ATOM 141 CH2 TRP A 9 0.847 3.571 8.309 1.00 0.00 C ATOM 0 H TRP A 9 6.224 3.570 6.236 1.00 0.00 H new ATOM 0 HA TRP A 9 6.155 2.174 3.647 1.00 0.00 H new ATOM 0 HB2 TRP A 9 3.817 1.334 4.289 1.00 0.00 H new ATOM 0 HB3 TRP A 9 5.197 0.465 4.931 1.00 0.00 H new ATOM 0 HD1 TRP A 9 5.676 0.577 7.567 1.00 0.00 H new ATOM 0 HE1 TRP A 9 4.308 1.296 9.605 1.00 0.00 H new ATOM 0 HE3 TRP A 9 1.948 3.094 5.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.880 2.795 10.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.081 4.186 6.349 1.00 0.00 H new ATOM 0 HH2 TRP A 9 0.050 4.039 8.868 1.00 0.00 H new ATOM 152 N PHE A 10 5.503 4.905 3.978 1.00 0.00 N ATOM 153 CA PHE A 10 4.810 6.120 3.595 1.00 0.00 C ATOM 154 C PHE A 10 5.445 6.715 2.334 1.00 0.00 C ATOM 155 O PHE A 10 6.590 7.152 2.330 1.00 0.00 O ATOM 156 CB PHE A 10 4.893 7.131 4.740 1.00 0.00 C ATOM 157 CG PHE A 10 4.111 8.372 4.429 1.00 0.00 C ATOM 158 CD1 PHE A 10 4.741 9.477 3.755 1.00 0.00 C ATOM 159 CD2 PHE A 10 2.723 8.468 4.802 1.00 0.00 C ATOM 160 CE1 PHE A 10 3.993 10.669 3.456 1.00 0.00 C ATOM 161 CE2 PHE A 10 1.970 9.658 4.505 1.00 0.00 C ATOM 162 CZ PHE A 10 2.607 10.759 3.832 1.00 0.00 C ATOM 0 H PHE A 10 6.503 4.994 4.161 1.00 0.00 H new ATOM 0 HA PHE A 10 3.766 5.887 3.386 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.512 6.679 5.656 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.935 7.392 4.923 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.781 9.411 3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.245 7.642 5.307 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.471 11.495 2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.929 9.725 4.787 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.044 11.653 3.609 1.00 0.00 H new ATOM 172 N PHE A 11 4.616 6.713 1.275 1.00 0.00 N ATOM 173 CA PHE A 11 5.069 7.322 0.038 1.00 0.00 C ATOM 174 C PHE A 11 4.066 8.398 -0.386 1.00 0.00 C ATOM 175 O PHE A 11 2.950 8.119 -0.806 1.00 0.00 O ATOM 176 CB PHE A 11 5.235 6.240 -1.032 1.00 0.00 C ATOM 177 CG PHE A 11 6.430 5.385 -0.731 1.00 0.00 C ATOM 178 CD1 PHE A 11 6.441 4.529 0.427 1.00 0.00 C ATOM 179 CD2 PHE A 11 7.582 5.426 -1.595 1.00 0.00 C ATOM 180 CE1 PHE A 11 7.596 3.724 0.724 1.00 0.00 C ATOM 181 CE2 PHE A 11 8.738 4.621 -1.302 1.00 0.00 C ATOM 182 CZ PHE A 11 8.745 3.772 -0.142 1.00 0.00 C ATOM 0 H PHE A 11 3.677 6.315 1.258 1.00 0.00 H new ATOM 0 HA PHE A 11 6.039 7.800 0.178 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.339 5.621 -1.074 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.349 6.703 -2.012 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.578 4.491 1.076 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.578 6.064 -2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.601 3.085 1.595 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.599 4.655 -1.953 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.613 3.169 0.080 1.00 0.00 H new ATOM 192 N GLY A 12 4.540 9.647 -0.227 1.00 0.00 N ATOM 193 CA GLY A 12 3.641 10.757 -0.480 1.00 0.00 C ATOM 194 C GLY A 12 3.158 10.755 -1.929 1.00 0.00 C ATOM 195 O GLY A 12 3.907 10.993 -2.868 1.00 0.00 O ATOM 0 H GLY A 12 5.487 9.893 0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.785 10.696 0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.149 11.697 -0.264 1.00 0.00 H new ATOM 199 N LYS A 13 1.844 10.477 -2.010 1.00 0.00 N ATOM 200 CA LYS A 13 1.140 10.442 -3.283 1.00 0.00 C ATOM 201 C LYS A 13 2.090 10.124 -4.440 1.00 0.00 C ATOM 202 O LYS A 13 2.090 10.781 -5.475 1.00 0.00 O ATOM 203 CB LYS A 13 0.435 11.778 -3.524 1.00 0.00 C ATOM 204 CG LYS A 13 1.422 12.935 -3.678 1.00 0.00 C ATOM 205 CD LYS A 13 0.697 14.257 -3.930 1.00 0.00 C ATOM 206 CE LYS A 13 1.669 15.428 -4.077 1.00 0.00 C ATOM 207 NZ LYS A 13 2.525 15.294 -5.250 1.00 0.00 N ATOM 0 H LYS A 13 1.257 10.274 -1.201 1.00 0.00 H new ATOM 0 HA LYS A 13 0.397 9.646 -3.238 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.179 11.705 -4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.239 11.986 -2.693 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.031 13.018 -2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.102 12.728 -4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.093 14.172 -4.834 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.012 14.457 -3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.105 16.358 -4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.289 15.497 -3.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.057 16.176 -5.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.190 14.508 -5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.939 15.103 -6.087 1.00 0.00 H new ATOM 221 N ILE A 14 2.900 9.080 -4.189 1.00 0.00 N ATOM 222 CA ILE A 14 3.852 8.708 -5.215 1.00 0.00 C ATOM 223 C ILE A 14 3.087 8.334 -6.492 1.00 0.00 C ATOM 224 O ILE A 14 2.132 7.568 -6.456 1.00 0.00 O ATOM 225 CB ILE A 14 4.679 7.518 -4.728 1.00 0.00 C ATOM 226 CG1 ILE A 14 5.893 7.294 -5.628 1.00 0.00 C ATOM 227 CG2 ILE A 14 3.816 6.259 -4.655 1.00 0.00 C ATOM 228 CD1 ILE A 14 6.936 8.396 -5.442 1.00 0.00 C ATOM 0 H ILE A 14 2.909 8.519 -3.337 1.00 0.00 H new ATOM 0 HA ILE A 14 4.522 9.541 -5.427 1.00 0.00 H new ATOM 0 HB ILE A 14 5.042 7.742 -3.725 1.00 0.00 H new ATOM 0 HG12 ILE A 14 6.340 6.326 -5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.575 7.264 -6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.422 5.422 -4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.991 6.423 -3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.419 6.032 -5.644 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.787 8.206 -6.097 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.494 9.361 -5.691 1.00 0.00 H new ATOM 0 HD13 ILE A 14 7.272 8.408 -4.405 1.00 0.00 H new ATOM 240 N PRO A 15 3.545 8.912 -7.627 1.00 0.00 N ATOM 241 CA PRO A 15 2.942 8.638 -8.923 1.00 0.00 C ATOM 242 C PRO A 15 2.685 7.150 -9.159 1.00 0.00 C ATOM 243 O PRO A 15 3.584 6.320 -9.105 1.00 0.00 O ATOM 244 CB PRO A 15 3.957 9.183 -9.926 1.00 0.00 C ATOM 245 CG PRO A 15 4.731 10.259 -9.159 1.00 0.00 C ATOM 246 CD PRO A 15 4.683 9.819 -7.692 1.00 0.00 C ATOM 0 HA PRO A 15 1.959 9.101 -9.009 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.622 8.396 -10.282 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.461 9.602 -10.802 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.759 10.334 -9.514 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.276 11.241 -9.291 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.606 9.321 -7.395 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.552 10.671 -7.025 1.00 0.00 H new ATOM 254 N ARG A 16 1.394 6.877 -9.419 1.00 0.00 N ATOM 255 CA ARG A 16 0.994 5.495 -9.633 1.00 0.00 C ATOM 256 C ARG A 16 2.061 4.742 -10.439 1.00 0.00 C ATOM 257 O ARG A 16 2.395 3.599 -10.154 1.00 0.00 O ATOM 258 CB ARG A 16 -0.343 5.457 -10.374 1.00 0.00 C ATOM 259 CG ARG A 16 -0.813 4.024 -10.631 1.00 0.00 C ATOM 260 CD ARG A 16 -2.148 3.988 -11.373 1.00 0.00 C ATOM 261 NE ARG A 16 -2.023 4.657 -12.654 1.00 0.00 N ATOM 262 CZ ARG A 16 -3.076 4.652 -13.494 1.00 0.00 C ATOM 263 NH1 ARG A 16 -4.207 4.041 -13.148 1.00 0.00 N ATOM 264 NH2 ARG A 16 -2.986 5.259 -14.673 1.00 0.00 N ATOM 0 H ARG A 16 0.646 7.568 -9.482 1.00 0.00 H new ATOM 0 HA ARG A 16 0.886 5.007 -8.664 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.096 5.987 -9.791 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.247 5.983 -11.324 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.059 3.493 -11.213 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.911 3.498 -9.681 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.462 2.955 -11.522 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.919 4.473 -10.774 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.154 5.123 -12.914 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.279 3.574 -12.244 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.002 4.040 -13.787 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.120 5.728 -14.941 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.782 5.256 -15.310 1.00 0.00 H new ATOM 278 N ALA A 17 2.576 5.466 -11.448 1.00 0.00 N ATOM 279 CA ALA A 17 3.625 4.864 -12.247 1.00 0.00 C ATOM 280 C ALA A 17 4.756 4.393 -11.331 1.00 0.00 C ATOM 281 O ALA A 17 4.886 3.217 -11.014 1.00 0.00 O ATOM 282 CB ALA A 17 4.152 5.881 -13.260 1.00 0.00 C ATOM 0 H ALA A 17 2.296 6.411 -11.710 1.00 0.00 H new ATOM 0 HA ALA A 17 3.225 4.007 -12.788 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.940 5.424 -13.858 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.339 6.199 -13.913 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.553 6.746 -12.732 1.00 0.00 H new ATOM 288 N LYS A 18 5.563 5.397 -10.940 1.00 0.00 N ATOM 289 CA LYS A 18 6.717 5.098 -10.111 1.00 0.00 C ATOM 290 C LYS A 18 6.390 4.001 -9.090 1.00 0.00 C ATOM 291 O LYS A 18 7.192 3.115 -8.824 1.00 0.00 O ATOM 292 CB LYS A 18 7.177 6.364 -9.392 1.00 0.00 C ATOM 293 CG LYS A 18 8.501 6.138 -8.665 1.00 0.00 C ATOM 294 CD LYS A 18 9.649 5.885 -9.644 1.00 0.00 C ATOM 295 CE LYS A 18 10.978 5.661 -8.920 1.00 0.00 C ATOM 296 NZ LYS A 18 10.973 4.444 -8.117 1.00 0.00 N ATOM 0 H LYS A 18 5.436 6.380 -11.179 1.00 0.00 H new ATOM 0 HA LYS A 18 7.519 4.735 -10.753 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.289 7.174 -10.113 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.416 6.676 -8.677 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.732 7.008 -8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.405 5.288 -7.990 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.418 5.014 -10.257 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.743 6.734 -10.321 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.783 5.607 -9.652 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.188 6.516 -8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.228 4.675 -7.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.024 4.018 -8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.663 3.770 -8.504 1.00 0.00 H new ATOM 310 N ALA A 19 5.164 4.115 -8.550 1.00 0.00 N ATOM 311 CA ALA A 19 4.755 3.105 -7.592 1.00 0.00 C ATOM 312 C ALA A 19 4.873 1.724 -8.236 1.00 0.00 C ATOM 313 O ALA A 19 5.675 0.887 -7.840 1.00 0.00 O ATOM 314 CB ALA A 19 3.311 3.348 -7.154 1.00 0.00 C ATOM 0 H ALA A 19 4.486 4.850 -8.750 1.00 0.00 H new ATOM 0 HA ALA A 19 5.401 3.158 -6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.015 2.584 -6.435 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.232 4.332 -6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.655 3.302 -8.023 1.00 0.00 H new ATOM 320 N GLU A 20 4.012 1.555 -9.254 1.00 0.00 N ATOM 321 CA GLU A 20 4.022 0.289 -9.960 1.00 0.00 C ATOM 322 C GLU A 20 5.459 -0.178 -10.214 1.00 0.00 C ATOM 323 O GLU A 20 5.782 -1.353 -10.097 1.00 0.00 O ATOM 324 CB GLU A 20 3.303 0.440 -11.301 1.00 0.00 C ATOM 325 CG GLU A 20 1.808 0.706 -11.126 1.00 0.00 C ATOM 326 CD GLU A 20 1.144 0.859 -12.496 1.00 0.00 C ATOM 327 OE1 GLU A 20 0.733 -0.151 -13.065 1.00 0.00 O ATOM 328 OE2 GLU A 20 1.043 1.986 -12.977 1.00 0.00 O ATOM 0 H GLU A 20 3.338 2.246 -9.584 1.00 0.00 H new ATOM 0 HA GLU A 20 3.511 -0.451 -9.344 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.753 1.259 -11.863 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.443 -0.466 -11.891 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.345 -0.114 -10.577 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.657 1.610 -10.536 1.00 0.00 H new ATOM 335 N GLU A 21 6.288 0.812 -10.583 1.00 0.00 N ATOM 336 CA GLU A 21 7.633 0.457 -10.990 1.00 0.00 C ATOM 337 C GLU A 21 8.396 -0.195 -9.833 1.00 0.00 C ATOM 338 O GLU A 21 8.384 -1.407 -9.659 1.00 0.00 O ATOM 339 CB GLU A 21 8.358 1.700 -11.502 1.00 0.00 C ATOM 340 CG GLU A 21 7.556 2.383 -12.611 1.00 0.00 C ATOM 341 CD GLU A 21 8.373 3.523 -13.223 1.00 0.00 C ATOM 342 OE1 GLU A 21 9.157 4.137 -12.500 1.00 0.00 O ATOM 343 OE2 GLU A 21 8.220 3.779 -14.416 1.00 0.00 O ATOM 0 H GLU A 21 6.059 1.806 -10.605 1.00 0.00 H new ATOM 0 HA GLU A 21 7.581 -0.273 -11.798 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.516 2.398 -10.680 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.343 1.422 -11.878 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.295 1.658 -13.382 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.620 2.771 -12.208 1.00 0.00 H new ATOM 350 N MET A 22 9.075 0.683 -9.074 1.00 0.00 N ATOM 351 CA MET A 22 9.922 0.153 -8.020 1.00 0.00 C ATOM 352 C MET A 22 9.220 -0.987 -7.272 1.00 0.00 C ATOM 353 O MET A 22 9.837 -1.975 -6.892 1.00 0.00 O ATOM 354 CB MET A 22 10.315 1.267 -7.048 1.00 0.00 C ATOM 355 CG MET A 22 9.127 1.761 -6.221 1.00 0.00 C ATOM 356 SD MET A 22 9.634 3.028 -5.046 1.00 0.00 S ATOM 357 CE MET A 22 8.764 4.422 -5.780 1.00 0.00 C ATOM 0 H MET A 22 9.053 1.698 -9.168 1.00 0.00 H new ATOM 0 HA MET A 22 10.825 -0.250 -8.478 1.00 0.00 H new ATOM 0 HB2 MET A 22 11.095 0.904 -6.379 1.00 0.00 H new ATOM 0 HB3 MET A 22 10.738 2.102 -7.607 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.360 2.162 -6.884 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.679 0.923 -5.686 1.00 0.00 H new ATOM 0 HE1 MET A 22 9.479 5.207 -6.029 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.253 4.096 -6.686 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.033 4.809 -5.070 1.00 0.00 H new ATOM 367 N LEU A 23 7.902 -0.790 -7.083 1.00 0.00 N ATOM 368 CA LEU A 23 7.176 -1.784 -6.316 1.00 0.00 C ATOM 369 C LEU A 23 7.095 -3.109 -7.081 1.00 0.00 C ATOM 370 O LEU A 23 7.263 -4.185 -6.520 1.00 0.00 O ATOM 371 CB LEU A 23 5.772 -1.273 -6.003 1.00 0.00 C ATOM 372 CG LEU A 23 4.992 -2.261 -5.137 1.00 0.00 C ATOM 373 CD1 LEU A 23 5.738 -2.560 -3.839 1.00 0.00 C ATOM 374 CD2 LEU A 23 3.597 -1.716 -4.836 1.00 0.00 C ATOM 0 H LEU A 23 7.358 -0.001 -7.431 1.00 0.00 H new ATOM 0 HA LEU A 23 7.711 -1.960 -5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.840 -0.314 -5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.232 -1.099 -6.934 1.00 0.00 H new ATOM 0 HG LEU A 23 4.893 -3.194 -5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.161 -3.266 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.712 -2.992 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.875 -1.636 -3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.053 -2.430 -4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.683 -0.768 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.058 -1.560 -5.770 1.00 0.00 H new ATOM 386 N SER A 24 6.835 -2.960 -8.392 1.00 0.00 N ATOM 387 CA SER A 24 6.813 -4.162 -9.211 1.00 0.00 C ATOM 388 C SER A 24 8.192 -4.840 -9.218 1.00 0.00 C ATOM 389 O SER A 24 8.311 -6.059 -9.208 1.00 0.00 O ATOM 390 CB SER A 24 6.399 -3.815 -10.642 1.00 0.00 C ATOM 391 OG SER A 24 7.284 -2.877 -11.201 1.00 0.00 O ATOM 0 H SER A 24 6.650 -2.079 -8.873 1.00 0.00 H new ATOM 0 HA SER A 24 6.087 -4.854 -8.784 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.386 -4.719 -11.251 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.386 -3.414 -10.646 1.00 0.00 H new ATOM 0 HG SER A 24 7.299 -2.070 -10.645 1.00 0.00 H new ATOM 397 N LYS A 25 9.218 -3.968 -9.221 1.00 0.00 N ATOM 398 CA LYS A 25 10.587 -4.443 -9.164 1.00 0.00 C ATOM 399 C LYS A 25 10.916 -5.054 -7.791 1.00 0.00 C ATOM 400 O LYS A 25 12.051 -5.000 -7.333 1.00 0.00 O ATOM 401 CB LYS A 25 11.493 -3.242 -9.429 1.00 0.00 C ATOM 402 CG LYS A 25 11.284 -2.684 -10.837 1.00 0.00 C ATOM 403 CD LYS A 25 11.570 -1.184 -10.905 1.00 0.00 C ATOM 404 CE LYS A 25 11.763 -0.703 -12.344 1.00 0.00 C ATOM 405 NZ LYS A 25 12.947 -1.282 -12.965 1.00 0.00 N ATOM 0 H LYS A 25 9.115 -2.954 -9.262 1.00 0.00 H new ATOM 0 HA LYS A 25 10.737 -5.226 -9.907 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.291 -2.463 -8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.535 -3.536 -9.304 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.935 -3.210 -11.536 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.258 -2.873 -11.153 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.746 -0.637 -10.447 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.464 -0.959 -10.324 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.883 -0.962 -12.933 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.845 0.384 -12.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.243 -0.690 -13.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.717 -1.329 -12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.728 -2.241 -13.304 1.00 0.00 H new ATOM 419 N GLN A 26 9.874 -5.635 -7.162 1.00 0.00 N ATOM 420 CA GLN A 26 10.127 -6.278 -5.889 1.00 0.00 C ATOM 421 C GLN A 26 10.146 -7.793 -6.085 1.00 0.00 C ATOM 422 O GLN A 26 9.395 -8.357 -6.871 1.00 0.00 O ATOM 423 CB GLN A 26 9.057 -5.877 -4.874 1.00 0.00 C ATOM 424 CG GLN A 26 9.146 -4.398 -4.508 1.00 0.00 C ATOM 425 CD GLN A 26 10.477 -4.099 -3.814 1.00 0.00 C ATOM 426 OE1 GLN A 26 11.340 -4.955 -3.668 1.00 0.00 O ATOM 427 NE2 GLN A 26 10.572 -2.824 -3.393 1.00 0.00 N ATOM 0 H GLN A 26 8.912 -5.666 -7.500 1.00 0.00 H new ATOM 0 HA GLN A 26 11.095 -5.958 -5.504 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.070 -6.091 -5.283 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.166 -6.481 -3.973 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.052 -3.788 -5.407 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.318 -4.129 -3.852 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.803 -2.174 -3.557 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.413 -2.508 -2.910 1.00 0.00 H new ATOM 436 N ARG A 27 11.073 -8.399 -5.326 1.00 0.00 N ATOM 437 CA ARG A 27 11.230 -9.834 -5.462 1.00 0.00 C ATOM 438 C ARG A 27 10.125 -10.555 -4.684 1.00 0.00 C ATOM 439 O ARG A 27 10.363 -11.525 -3.976 1.00 0.00 O ATOM 440 CB ARG A 27 12.606 -10.270 -4.952 1.00 0.00 C ATOM 441 CG ARG A 27 13.749 -9.815 -5.864 1.00 0.00 C ATOM 442 CD ARG A 27 13.995 -8.306 -5.816 1.00 0.00 C ATOM 443 NE ARG A 27 15.149 -7.968 -6.627 1.00 0.00 N ATOM 444 CZ ARG A 27 16.374 -8.311 -6.186 1.00 0.00 C ATOM 445 NH1 ARG A 27 16.516 -8.946 -5.026 1.00 0.00 N ATOM 446 NH2 ARG A 27 17.447 -8.013 -6.915 1.00 0.00 N ATOM 0 H ARG A 27 11.687 -7.941 -4.653 1.00 0.00 H new ATOM 0 HA ARG A 27 11.152 -10.098 -6.517 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.762 -9.866 -3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.628 -11.356 -4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.663 -10.335 -5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.525 -10.107 -6.890 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.116 -7.774 -6.179 1.00 0.00 H new ATOM 0 HD3 ARG A 27 14.157 -7.988 -4.786 1.00 0.00 H new ATOM 0 HE ARG A 27 15.035 -7.479 -7.515 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.695 -9.175 -4.466 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.446 -9.204 -4.696 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.340 -7.526 -7.805 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.376 -8.271 -6.584 1.00 0.00 H new ATOM 460 N HIS A 28 8.907 -10.012 -4.866 1.00 0.00 N ATOM 461 CA HIS A 28 7.777 -10.606 -4.178 1.00 0.00 C ATOM 462 C HIS A 28 8.134 -10.844 -2.710 1.00 0.00 C ATOM 463 O HIS A 28 8.742 -11.844 -2.346 1.00 0.00 O ATOM 464 CB HIS A 28 7.398 -11.926 -4.854 1.00 0.00 C ATOM 465 CG HIS A 28 6.223 -12.547 -4.136 1.00 0.00 C ATOM 466 ND1 HIS A 28 5.525 -11.933 -3.158 1.00 0.00 N ATOM 467 CD2 HIS A 28 5.670 -13.822 -4.343 1.00 0.00 C ATOM 468 CE1 HIS A 28 4.575 -12.807 -2.782 1.00 0.00 C ATOM 469 NE2 HIS A 28 4.638 -13.955 -3.480 1.00 0.00 N ATOM 0 H HIS A 28 8.698 -9.205 -5.454 1.00 0.00 H new ATOM 0 HA HIS A 28 6.925 -9.928 -4.227 1.00 0.00 H new ATOM 0 HB2 HIS A 28 7.146 -11.751 -5.900 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.247 -12.609 -4.841 1.00 0.00 H new ATOM 0 HD1 HIS A 28 5.685 -10.999 -2.782 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.007 -14.558 -5.058 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.846 -12.610 -2.010 1.00 0.00 H new ATOM 477 N ASP A 29 7.703 -9.864 -1.897 1.00 0.00 N ATOM 478 CA ASP A 29 7.982 -10.005 -0.480 1.00 0.00 C ATOM 479 C ASP A 29 7.090 -9.084 0.363 1.00 0.00 C ATOM 480 O ASP A 29 7.499 -8.589 1.405 1.00 0.00 O ATOM 481 CB ASP A 29 9.455 -9.692 -0.216 1.00 0.00 C ATOM 482 CG ASP A 29 9.773 -9.897 1.266 1.00 0.00 C ATOM 483 OD1 ASP A 29 9.975 -11.041 1.671 1.00 0.00 O ATOM 484 OD2 ASP A 29 9.821 -8.910 1.999 1.00 0.00 O ATOM 0 H ASP A 29 7.196 -9.025 -2.180 1.00 0.00 H new ATOM 0 HA ASP A 29 7.766 -11.033 -0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.088 -10.337 -0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.675 -8.664 -0.505 1.00 0.00 H new ATOM 489 N GLY A 30 5.856 -8.885 -0.138 1.00 0.00 N ATOM 490 CA GLY A 30 4.970 -8.033 0.636 1.00 0.00 C ATOM 491 C GLY A 30 5.390 -6.548 0.625 1.00 0.00 C ATOM 492 O GLY A 30 4.712 -5.705 1.201 1.00 0.00 O ATOM 0 H GLY A 30 5.482 -9.272 -1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.957 -8.120 0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.943 -8.388 1.666 1.00 0.00 H new ATOM 496 N ALA A 31 6.523 -6.263 -0.054 1.00 0.00 N ATOM 497 CA ALA A 31 6.935 -4.875 -0.153 1.00 0.00 C ATOM 498 C ALA A 31 5.722 -4.024 -0.533 1.00 0.00 C ATOM 499 O ALA A 31 4.937 -4.382 -1.402 1.00 0.00 O ATOM 500 CB ALA A 31 8.036 -4.736 -1.205 1.00 0.00 C ATOM 0 H ALA A 31 7.129 -6.943 -0.513 1.00 0.00 H new ATOM 0 HA ALA A 31 7.329 -4.534 0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.342 -3.692 -1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.892 -5.347 -0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.660 -5.070 -2.172 1.00 0.00 H new ATOM 506 N PHE A 32 5.600 -2.899 0.192 1.00 0.00 N ATOM 507 CA PHE A 32 4.385 -2.138 -0.020 1.00 0.00 C ATOM 508 C PHE A 32 4.619 -0.648 0.228 1.00 0.00 C ATOM 509 O PHE A 32 5.585 -0.230 0.853 1.00 0.00 O ATOM 510 CB PHE A 32 3.298 -2.654 0.925 1.00 0.00 C ATOM 511 CG PHE A 32 3.663 -2.414 2.361 1.00 0.00 C ATOM 512 CD1 PHE A 32 4.699 -3.195 2.986 1.00 0.00 C ATOM 513 CD2 PHE A 32 2.983 -1.397 3.123 1.00 0.00 C ATOM 514 CE1 PHE A 32 5.055 -2.963 4.361 1.00 0.00 C ATOM 515 CE2 PHE A 32 3.334 -1.165 4.499 1.00 0.00 C ATOM 516 CZ PHE A 32 4.371 -1.948 5.117 1.00 0.00 C ATOM 0 H PHE A 32 6.268 -2.530 0.869 1.00 0.00 H new ATOM 0 HA PHE A 32 4.071 -2.264 -1.056 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.353 -2.159 0.700 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.146 -3.721 0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.211 -3.959 2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.207 -0.807 2.659 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.834 -3.550 4.824 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.820 -0.404 5.067 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.636 -1.774 6.149 1.00 0.00 H new ATOM 526 N LEU A 33 3.641 0.110 -0.298 1.00 0.00 N ATOM 527 CA LEU A 33 3.618 1.527 0.004 1.00 0.00 C ATOM 528 C LEU A 33 2.175 2.019 -0.012 1.00 0.00 C ATOM 529 O LEU A 33 1.336 1.544 -0.767 1.00 0.00 O ATOM 530 CB LEU A 33 4.481 2.326 -0.978 1.00 0.00 C ATOM 531 CG LEU A 33 4.043 2.219 -2.442 1.00 0.00 C ATOM 532 CD1 LEU A 33 2.914 3.200 -2.776 1.00 0.00 C ATOM 533 CD2 LEU A 33 5.238 2.487 -3.359 1.00 0.00 C ATOM 0 H LEU A 33 2.894 -0.226 -0.906 1.00 0.00 H new ATOM 0 HA LEU A 33 4.042 1.681 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.467 3.375 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.513 1.986 -0.895 1.00 0.00 H new ATOM 0 HG LEU A 33 3.666 1.209 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.635 3.090 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.050 2.989 -2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.253 4.220 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.923 2.410 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.624 3.489 -3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.020 1.754 -3.162 1.00 0.00 H new ATOM 545 N ILE A 34 1.949 3.000 0.878 1.00 0.00 N ATOM 546 CA ILE A 34 0.643 3.625 0.871 1.00 0.00 C ATOM 547 C ILE A 34 0.775 5.037 0.305 1.00 0.00 C ATOM 548 O ILE A 34 1.353 5.933 0.907 1.00 0.00 O ATOM 549 CB ILE A 34 0.060 3.641 2.283 1.00 0.00 C ATOM 550 CG1 ILE A 34 -0.300 2.219 2.715 1.00 0.00 C ATOM 551 CG2 ILE A 34 -1.170 4.547 2.347 1.00 0.00 C ATOM 552 CD1 ILE A 34 -0.902 2.181 4.118 1.00 0.00 C ATOM 0 H ILE A 34 2.615 3.351 1.566 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.042 3.057 0.241 1.00 0.00 H new ATOM 0 HB ILE A 34 0.810 4.038 2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.009 1.793 2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.593 1.595 2.687 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.571 4.545 3.361 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.888 5.563 2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.929 4.180 1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.142 1.151 4.383 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.184 2.582 4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.810 2.783 4.141 1.00 0.00 H new ATOM 564 N ARG A 35 0.210 5.148 -0.909 1.00 0.00 N ATOM 565 CA ARG A 35 0.357 6.396 -1.626 1.00 0.00 C ATOM 566 C ARG A 35 -0.821 7.320 -1.322 1.00 0.00 C ATOM 567 O ARG A 35 -1.984 6.964 -1.465 1.00 0.00 O ATOM 568 CB ARG A 35 0.454 6.109 -3.123 1.00 0.00 C ATOM 569 CG ARG A 35 -0.786 5.381 -3.638 1.00 0.00 C ATOM 570 CD ARG A 35 -0.622 4.943 -5.092 1.00 0.00 C ATOM 571 NE ARG A 35 -1.825 4.272 -5.545 1.00 0.00 N ATOM 572 CZ ARG A 35 -2.092 4.228 -6.863 1.00 0.00 C ATOM 573 NH1 ARG A 35 -1.264 4.797 -7.734 1.00 0.00 N ATOM 574 NH2 ARG A 35 -3.188 3.613 -7.297 1.00 0.00 N ATOM 0 H ARG A 35 -0.324 4.421 -1.384 1.00 0.00 H new ATOM 0 HA ARG A 35 1.269 6.898 -1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.578 7.046 -3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.340 5.505 -3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.980 4.508 -3.015 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.654 6.035 -3.551 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.420 5.810 -5.721 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.234 4.275 -5.185 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.460 3.839 -4.874 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.422 5.269 -7.404 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.470 4.761 -8.732 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.825 3.176 -6.631 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.392 3.579 -8.296 1.00 0.00 H new ATOM 588 N GLU A 36 -0.426 8.529 -0.887 1.00 0.00 N ATOM 589 CA GLU A 36 -1.445 9.500 -0.541 1.00 0.00 C ATOM 590 C GLU A 36 -2.190 9.941 -1.803 1.00 0.00 C ATOM 591 O GLU A 36 -1.597 10.316 -2.807 1.00 0.00 O ATOM 592 CB GLU A 36 -0.799 10.708 0.137 1.00 0.00 C ATOM 593 CG GLU A 36 -1.836 11.752 0.553 1.00 0.00 C ATOM 594 CD GLU A 36 -1.140 12.940 1.220 1.00 0.00 C ATOM 595 OE1 GLU A 36 -0.056 12.751 1.771 1.00 0.00 O ATOM 596 OE2 GLU A 36 -1.686 14.040 1.175 1.00 0.00 O ATOM 0 H GLU A 36 0.541 8.835 -0.775 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.156 9.045 0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.244 10.378 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.078 11.163 -0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.395 12.090 -0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.556 11.308 1.241 1.00 0.00 H new ATOM 603 N SER A 37 -3.527 9.868 -1.679 1.00 0.00 N ATOM 604 CA SER A 37 -4.338 10.301 -2.794 1.00 0.00 C ATOM 605 C SER A 37 -4.182 11.812 -2.983 1.00 0.00 C ATOM 606 O SER A 37 -4.294 12.600 -2.051 1.00 0.00 O ATOM 607 CB SER A 37 -5.794 9.928 -2.523 1.00 0.00 C ATOM 608 OG SER A 37 -5.945 8.531 -2.507 1.00 0.00 O ATOM 0 H SER A 37 -4.033 9.531 -0.860 1.00 0.00 H new ATOM 0 HA SER A 37 -4.015 9.808 -3.711 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.112 10.346 -1.568 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.436 10.361 -3.290 1.00 0.00 H new ATOM 0 HG SER A 37 -5.391 8.150 -1.794 1.00 0.00 H new ATOM 614 N GLU A 38 -3.900 12.143 -4.254 1.00 0.00 N ATOM 615 CA GLU A 38 -3.639 13.523 -4.600 1.00 0.00 C ATOM 616 C GLU A 38 -4.565 14.461 -3.817 1.00 0.00 C ATOM 617 O GLU A 38 -4.217 14.977 -2.762 1.00 0.00 O ATOM 618 CB GLU A 38 -3.833 13.713 -6.104 1.00 0.00 C ATOM 619 CG GLU A 38 -2.806 12.946 -6.941 1.00 0.00 C ATOM 620 CD GLU A 38 -2.988 11.435 -6.773 1.00 0.00 C ATOM 621 OE1 GLU A 38 -3.855 10.872 -7.439 1.00 0.00 O ATOM 622 OE2 GLU A 38 -2.257 10.841 -5.984 1.00 0.00 O ATOM 0 H GLU A 38 -3.851 11.483 -5.031 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.611 13.769 -4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.836 13.386 -6.380 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.768 14.775 -6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.913 13.215 -7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.798 13.231 -6.639 1.00 0.00 H new ATOM 629 N SER A 39 -5.749 14.668 -4.422 1.00 0.00 N ATOM 630 CA SER A 39 -6.640 15.667 -3.858 1.00 0.00 C ATOM 631 C SER A 39 -7.589 15.068 -2.808 1.00 0.00 C ATOM 632 O SER A 39 -8.009 15.745 -1.877 1.00 0.00 O ATOM 633 CB SER A 39 -7.452 16.315 -4.979 1.00 0.00 C ATOM 634 OG SER A 39 -8.288 17.322 -4.468 1.00 0.00 O ATOM 0 H SER A 39 -6.087 14.183 -5.253 1.00 0.00 H new ATOM 0 HA SER A 39 -6.027 16.415 -3.356 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.779 16.738 -5.725 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.052 15.558 -5.484 1.00 0.00 H new ATOM 0 HG SER A 39 -8.799 17.726 -5.200 1.00 0.00 H new ATOM 640 N ALA A 40 -7.906 13.772 -3.003 1.00 0.00 N ATOM 641 CA ALA A 40 -8.843 13.155 -2.081 1.00 0.00 C ATOM 642 C ALA A 40 -8.500 13.549 -0.639 1.00 0.00 C ATOM 643 O ALA A 40 -7.352 13.795 -0.288 1.00 0.00 O ATOM 644 CB ALA A 40 -8.810 11.635 -2.242 1.00 0.00 C ATOM 0 H ALA A 40 -7.546 13.174 -3.747 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.849 13.508 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.516 11.180 -1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.085 11.371 -3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.805 11.268 -2.031 1.00 0.00 H new ATOM 650 N PRO A 41 -9.580 13.616 0.169 1.00 0.00 N ATOM 651 CA PRO A 41 -9.509 14.078 1.553 1.00 0.00 C ATOM 652 C PRO A 41 -8.892 13.099 2.560 1.00 0.00 C ATOM 653 O PRO A 41 -8.635 13.440 3.708 1.00 0.00 O ATOM 654 CB PRO A 41 -10.975 14.248 1.944 1.00 0.00 C ATOM 655 CG PRO A 41 -11.768 13.353 0.987 1.00 0.00 C ATOM 656 CD PRO A 41 -10.923 13.289 -0.284 1.00 0.00 C ATOM 0 HA PRO A 41 -8.873 14.962 1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.140 13.955 2.981 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.286 15.289 1.854 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.921 12.360 1.410 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.755 13.768 0.784 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.961 12.299 -0.739 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.275 13.998 -1.033 1.00 0.00 H new ATOM 664 N GLY A 42 -8.667 11.876 2.059 1.00 0.00 N ATOM 665 CA GLY A 42 -8.087 10.865 2.926 1.00 0.00 C ATOM 666 C GLY A 42 -8.120 9.473 2.276 1.00 0.00 C ATOM 667 O GLY A 42 -8.264 8.457 2.944 1.00 0.00 O ATOM 0 H GLY A 42 -8.869 11.580 1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.057 11.133 3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.631 10.839 3.870 1.00 0.00 H new ATOM 671 N ASP A 43 -7.974 9.497 0.938 1.00 0.00 N ATOM 672 CA ASP A 43 -7.975 8.235 0.224 1.00 0.00 C ATOM 673 C ASP A 43 -6.544 7.699 0.128 1.00 0.00 C ATOM 674 O ASP A 43 -5.606 8.409 -0.212 1.00 0.00 O ATOM 675 CB ASP A 43 -8.571 8.427 -1.171 1.00 0.00 C ATOM 676 CG ASP A 43 -10.031 8.870 -1.061 1.00 0.00 C ATOM 677 OD1 ASP A 43 -10.348 9.635 -0.151 1.00 0.00 O ATOM 678 OD2 ASP A 43 -10.838 8.441 -1.886 1.00 0.00 O ATOM 0 H ASP A 43 -7.860 10.334 0.367 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.586 7.512 0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.997 9.173 -1.721 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.507 7.496 -1.734 1.00 0.00 H new ATOM 683 N PHE A 44 -6.451 6.400 0.466 1.00 0.00 N ATOM 684 CA PHE A 44 -5.144 5.771 0.461 1.00 0.00 C ATOM 685 C PHE A 44 -5.272 4.326 -0.025 1.00 0.00 C ATOM 686 O PHE A 44 -6.129 3.572 0.419 1.00 0.00 O ATOM 687 CB PHE A 44 -4.568 5.792 1.876 1.00 0.00 C ATOM 688 CG PHE A 44 -4.402 7.195 2.379 1.00 0.00 C ATOM 689 CD1 PHE A 44 -5.479 7.847 3.079 1.00 0.00 C ATOM 690 CD2 PHE A 44 -3.165 7.901 2.165 1.00 0.00 C ATOM 691 CE1 PHE A 44 -5.321 9.193 3.563 1.00 0.00 C ATOM 692 CE2 PHE A 44 -3.003 9.247 2.648 1.00 0.00 C ATOM 693 CZ PHE A 44 -4.082 9.892 3.347 1.00 0.00 C ATOM 0 H PHE A 44 -7.232 5.800 0.732 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.479 6.315 -0.209 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.226 5.239 2.546 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.604 5.284 1.885 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.409 7.323 3.241 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.355 7.418 1.639 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.131 9.678 4.088 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.073 9.772 2.486 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.962 10.902 3.710 1.00 0.00 H new ATOM 703 N SER A 45 -4.366 3.995 -0.964 1.00 0.00 N ATOM 704 CA SER A 45 -4.384 2.643 -1.485 1.00 0.00 C ATOM 705 C SER A 45 -3.043 1.962 -1.187 1.00 0.00 C ATOM 706 O SER A 45 -1.978 2.557 -1.294 1.00 0.00 O ATOM 707 CB SER A 45 -4.657 2.687 -2.988 1.00 0.00 C ATOM 708 OG SER A 45 -3.610 3.330 -3.668 1.00 0.00 O ATOM 0 H SER A 45 -3.655 4.615 -1.351 1.00 0.00 H new ATOM 0 HA SER A 45 -5.174 2.065 -1.006 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.776 1.673 -3.370 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.594 3.211 -3.176 1.00 0.00 H new ATOM 0 HG SER A 45 -3.922 4.195 -4.006 1.00 0.00 H new ATOM 714 N LEU A 46 -3.178 0.686 -0.780 1.00 0.00 N ATOM 715 CA LEU A 46 -1.992 -0.031 -0.347 1.00 0.00 C ATOM 716 C LEU A 46 -1.503 -0.958 -1.464 1.00 0.00 C ATOM 717 O LEU A 46 -2.182 -1.894 -1.869 1.00 0.00 O ATOM 718 CB LEU A 46 -2.325 -0.838 0.911 1.00 0.00 C ATOM 719 CG LEU A 46 -1.082 -1.258 1.701 1.00 0.00 C ATOM 720 CD1 LEU A 46 -1.486 -1.786 3.077 1.00 0.00 C ATOM 721 CD2 LEU A 46 -0.258 -2.308 0.955 1.00 0.00 C ATOM 0 H LEU A 46 -4.053 0.163 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.197 0.679 -0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.974 -0.245 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.886 -1.728 0.627 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.456 -0.374 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.594 -2.082 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.011 -1.005 3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.141 -2.649 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.614 -2.577 1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.868 -3.195 0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.068 -1.902 -0.002 1.00 0.00 H new ATOM 733 N SER A 47 -0.285 -0.635 -1.931 1.00 0.00 N ATOM 734 CA SER A 47 0.254 -1.434 -3.015 1.00 0.00 C ATOM 735 C SER A 47 1.220 -2.488 -2.464 1.00 0.00 C ATOM 736 O SER A 47 2.009 -2.232 -1.563 1.00 0.00 O ATOM 737 CB SER A 47 0.970 -0.526 -4.017 1.00 0.00 C ATOM 738 OG SER A 47 0.096 0.463 -4.500 1.00 0.00 O ATOM 0 H SER A 47 0.304 0.126 -1.594 1.00 0.00 H new ATOM 0 HA SER A 47 -0.563 -1.947 -3.523 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.831 -0.057 -3.541 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.350 -1.120 -4.848 1.00 0.00 H new ATOM 0 HG SER A 47 0.571 1.036 -5.138 1.00 0.00 H new ATOM 744 N VAL A 48 1.095 -3.687 -3.064 1.00 0.00 N ATOM 745 CA VAL A 48 1.957 -4.774 -2.629 1.00 0.00 C ATOM 746 C VAL A 48 2.457 -5.565 -3.838 1.00 0.00 C ATOM 747 O VAL A 48 1.775 -5.707 -4.846 1.00 0.00 O ATOM 748 CB VAL A 48 1.187 -5.726 -1.714 1.00 0.00 C ATOM 749 CG1 VAL A 48 2.061 -6.923 -1.330 1.00 0.00 C ATOM 750 CG2 VAL A 48 0.666 -5.001 -0.474 1.00 0.00 C ATOM 0 H VAL A 48 0.438 -3.911 -3.812 1.00 0.00 H new ATOM 0 HA VAL A 48 2.801 -4.343 -2.090 1.00 0.00 H new ATOM 0 HB VAL A 48 0.321 -6.098 -2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.497 -7.591 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.358 -7.460 -2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.950 -6.571 -0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.123 -5.704 0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.505 -4.586 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.002 -4.195 -0.778 1.00 0.00 H new ATOM 760 N LYS A 49 3.683 -6.086 -3.654 1.00 0.00 N ATOM 761 CA LYS A 49 4.177 -7.005 -4.661 1.00 0.00 C ATOM 762 C LYS A 49 3.540 -8.376 -4.431 1.00 0.00 C ATOM 763 O LYS A 49 3.890 -9.096 -3.503 1.00 0.00 O ATOM 764 CB LYS A 49 5.697 -7.139 -4.557 1.00 0.00 C ATOM 765 CG LYS A 49 6.262 -7.992 -5.694 1.00 0.00 C ATOM 766 CD LYS A 49 6.308 -7.229 -7.021 1.00 0.00 C ATOM 767 CE LYS A 49 6.655 -8.146 -8.194 1.00 0.00 C ATOM 768 NZ LYS A 49 5.624 -9.149 -8.434 1.00 0.00 N ATOM 0 H LYS A 49 4.305 -5.896 -2.868 1.00 0.00 H new ATOM 0 HA LYS A 49 3.921 -6.625 -5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.153 -6.149 -4.581 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.959 -7.588 -3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.267 -8.324 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.652 -8.887 -5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.342 -6.757 -7.202 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.046 -6.429 -6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.792 -7.546 -9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.604 -8.644 -7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.001 -10.094 -8.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.803 -8.956 -7.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.331 -9.114 -9.431 1.00 0.00 H new ATOM 782 N PHE A 50 2.588 -8.693 -5.327 1.00 0.00 N ATOM 783 CA PHE A 50 1.945 -9.981 -5.168 1.00 0.00 C ATOM 784 C PHE A 50 2.893 -11.079 -5.665 1.00 0.00 C ATOM 785 O PHE A 50 3.845 -11.460 -4.995 1.00 0.00 O ATOM 786 CB PHE A 50 0.594 -9.985 -5.893 1.00 0.00 C ATOM 787 CG PHE A 50 -0.097 -11.310 -5.758 1.00 0.00 C ATOM 788 CD1 PHE A 50 0.062 -12.097 -4.561 1.00 0.00 C ATOM 789 CD2 PHE A 50 -0.926 -11.806 -6.826 1.00 0.00 C ATOM 790 CE1 PHE A 50 -0.600 -13.368 -4.433 1.00 0.00 C ATOM 791 CE2 PHE A 50 -1.590 -13.077 -6.702 1.00 0.00 C ATOM 792 CZ PHE A 50 -1.427 -13.857 -5.504 1.00 0.00 C ATOM 0 H PHE A 50 2.274 -8.116 -6.108 1.00 0.00 H new ATOM 0 HA PHE A 50 1.735 -10.179 -4.117 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.041 -9.199 -5.486 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.745 -9.758 -6.948 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.681 -11.731 -3.756 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.050 -11.221 -7.725 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.476 -13.954 -3.534 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.209 -13.445 -7.507 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.926 -14.810 -5.409 1.00 0.00 H new ATOM 802 N GLY A 51 2.570 -11.551 -6.878 1.00 0.00 N ATOM 803 CA GLY A 51 3.418 -12.554 -7.491 1.00 0.00 C ATOM 804 C GLY A 51 4.358 -11.891 -8.496 1.00 0.00 C ATOM 805 O GLY A 51 5.564 -11.800 -8.306 1.00 0.00 O ATOM 0 H GLY A 51 1.760 -11.262 -7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.996 -13.072 -6.726 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.806 -13.305 -7.991 1.00 0.00 H new ATOM 809 N ASN A 52 3.699 -11.437 -9.575 1.00 0.00 N ATOM 810 CA ASN A 52 4.436 -10.750 -10.623 1.00 0.00 C ATOM 811 C ASN A 52 3.909 -9.320 -10.864 1.00 0.00 C ATOM 812 O ASN A 52 4.618 -8.467 -11.381 1.00 0.00 O ATOM 813 CB ASN A 52 4.311 -11.551 -11.916 1.00 0.00 C ATOM 814 CG ASN A 52 5.167 -10.915 -13.012 1.00 0.00 C ATOM 815 OD1 ASN A 52 4.730 -10.042 -13.751 1.00 0.00 O ATOM 816 ND2 ASN A 52 6.412 -11.424 -13.068 1.00 0.00 N ATOM 0 H ASN A 52 2.696 -11.532 -9.733 1.00 0.00 H new ATOM 0 HA ASN A 52 5.476 -10.671 -10.307 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.628 -12.580 -11.748 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.268 -11.586 -12.232 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.072 -11.082 -13.766 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.695 -12.152 -12.412 1.00 0.00 H new ATOM 823 N ASP A 53 2.633 -9.114 -10.478 1.00 0.00 N ATOM 824 CA ASP A 53 2.021 -7.833 -10.774 1.00 0.00 C ATOM 825 C ASP A 53 1.810 -7.034 -9.485 1.00 0.00 C ATOM 826 O ASP A 53 1.764 -7.571 -8.386 1.00 0.00 O ATOM 827 CB ASP A 53 0.683 -8.051 -11.481 1.00 0.00 C ATOM 828 CG ASP A 53 -0.263 -8.835 -10.570 1.00 0.00 C ATOM 829 OD1 ASP A 53 -0.234 -10.064 -10.610 1.00 0.00 O ATOM 830 OD2 ASP A 53 -1.024 -8.208 -9.834 1.00 0.00 O ATOM 0 H ASP A 53 2.045 -9.787 -9.987 1.00 0.00 H new ATOM 0 HA ASP A 53 2.684 -7.267 -11.429 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.238 -7.091 -11.742 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.838 -8.594 -12.413 1.00 0.00 H new ATOM 835 N VAL A 54 1.690 -5.714 -9.714 1.00 0.00 N ATOM 836 CA VAL A 54 1.459 -4.830 -8.589 1.00 0.00 C ATOM 837 C VAL A 54 -0.023 -4.855 -8.210 1.00 0.00 C ATOM 838 O VAL A 54 -0.898 -4.503 -8.991 1.00 0.00 O ATOM 839 CB VAL A 54 1.887 -3.410 -8.965 1.00 0.00 C ATOM 840 CG1 VAL A 54 1.565 -2.428 -7.839 1.00 0.00 C ATOM 841 CG2 VAL A 54 3.375 -3.369 -9.313 1.00 0.00 C ATOM 0 H VAL A 54 1.748 -5.264 -10.628 1.00 0.00 H new ATOM 0 HA VAL A 54 2.045 -5.164 -7.733 1.00 0.00 H new ATOM 0 HB VAL A 54 1.323 -3.108 -9.847 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.879 -1.425 -8.130 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.492 -2.432 -7.649 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.095 -2.726 -6.934 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.659 -2.350 -9.577 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.959 -3.697 -8.453 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.570 -4.031 -10.157 1.00 0.00 H new ATOM 851 N GLN A 55 -0.236 -5.294 -6.956 1.00 0.00 N ATOM 852 CA GLN A 55 -1.601 -5.359 -6.472 1.00 0.00 C ATOM 853 C GLN A 55 -1.875 -4.178 -5.542 1.00 0.00 C ATOM 854 O GLN A 55 -0.973 -3.562 -4.989 1.00 0.00 O ATOM 855 CB GLN A 55 -1.832 -6.683 -5.743 1.00 0.00 C ATOM 856 CG GLN A 55 -3.239 -6.785 -5.151 1.00 0.00 C ATOM 857 CD GLN A 55 -3.441 -8.162 -4.514 1.00 0.00 C ATOM 858 OE1 GLN A 55 -4.518 -8.744 -4.563 1.00 0.00 O ATOM 859 NE2 GLN A 55 -2.331 -8.642 -3.924 1.00 0.00 N ATOM 0 H GLN A 55 0.486 -5.592 -6.300 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.288 -5.305 -7.317 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.672 -7.509 -6.436 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.097 -6.789 -4.945 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.385 -6.005 -4.404 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.983 -6.623 -5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.472 -8.091 -3.928 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.348 -9.556 -3.473 1.00 0.00 H new ATOM 868 N HIS A 56 -3.186 -3.902 -5.431 1.00 0.00 N ATOM 869 CA HIS A 56 -3.576 -2.744 -4.650 1.00 0.00 C ATOM 870 C HIS A 56 -4.735 -3.092 -3.713 1.00 0.00 C ATOM 871 O HIS A 56 -5.634 -3.856 -4.043 1.00 0.00 O ATOM 872 CB HIS A 56 -3.972 -1.600 -5.586 1.00 0.00 C ATOM 873 CG HIS A 56 -5.194 -1.984 -6.387 1.00 0.00 C ATOM 874 ND1 HIS A 56 -5.495 -3.249 -6.758 1.00 0.00 N ATOM 875 CD2 HIS A 56 -6.200 -1.132 -6.872 1.00 0.00 C ATOM 876 CE1 HIS A 56 -6.647 -3.165 -7.446 1.00 0.00 C ATOM 877 NE2 HIS A 56 -7.096 -1.901 -7.532 1.00 0.00 N ATOM 0 H HIS A 56 -3.946 -4.438 -5.850 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.729 -2.429 -4.040 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.176 -0.700 -5.006 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -3.146 -1.367 -6.258 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -6.249 -0.061 -6.742 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.153 -4.015 -7.879 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -7.944 -1.584 -8.002 1.00 0.00 H new ATOM 885 N PHE A 57 -4.641 -2.469 -2.525 1.00 0.00 N ATOM 886 CA PHE A 57 -5.701 -2.638 -1.552 1.00 0.00 C ATOM 887 C PHE A 57 -6.140 -1.259 -1.057 1.00 0.00 C ATOM 888 O PHE A 57 -5.498 -0.638 -0.219 1.00 0.00 O ATOM 889 CB PHE A 57 -5.204 -3.476 -0.375 1.00 0.00 C ATOM 890 CG PHE A 57 -4.790 -4.847 -0.822 1.00 0.00 C ATOM 891 CD1 PHE A 57 -5.773 -5.891 -0.958 1.00 0.00 C ATOM 892 CD2 PHE A 57 -3.409 -5.130 -1.119 1.00 0.00 C ATOM 893 CE1 PHE A 57 -5.380 -7.207 -1.388 1.00 0.00 C ATOM 894 CE2 PHE A 57 -3.013 -6.445 -1.548 1.00 0.00 C ATOM 895 CZ PHE A 57 -4.000 -7.484 -1.682 1.00 0.00 C ATOM 0 H PHE A 57 -3.869 -1.869 -2.235 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.544 -3.152 -2.014 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.361 -2.976 0.101 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.991 -3.557 0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.810 -5.685 -0.736 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.667 -4.351 -1.019 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.121 -7.986 -1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.976 -6.652 -1.769 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.704 -8.472 -2.003 1.00 0.00 H new ATOM 905 N LYS A 58 -7.270 -0.828 -1.640 1.00 0.00 N ATOM 906 CA LYS A 58 -7.713 0.516 -1.327 1.00 0.00 C ATOM 907 C LYS A 58 -8.148 0.605 0.135 1.00 0.00 C ATOM 908 O LYS A 58 -9.142 0.026 0.556 1.00 0.00 O ATOM 909 CB LYS A 58 -8.856 0.918 -2.256 1.00 0.00 C ATOM 910 CG LYS A 58 -8.414 0.892 -3.718 1.00 0.00 C ATOM 911 CD LYS A 58 -9.459 1.506 -4.646 1.00 0.00 C ATOM 912 CE LYS A 58 -10.792 0.760 -4.583 1.00 0.00 C ATOM 913 NZ LYS A 58 -11.795 1.341 -5.468 1.00 0.00 N ATOM 0 H LYS A 58 -7.853 -1.359 -2.288 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.883 1.207 -1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.698 0.240 -2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.205 1.917 -1.996 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.474 1.435 -3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.222 -0.138 -4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.615 2.550 -4.375 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.086 1.495 -5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.634 -0.284 -4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.164 0.772 -3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.681 0.802 -5.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.967 2.330 -5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.454 1.306 -6.450 1.00 0.00 H new ATOM 927 N VAL A 59 -7.335 1.388 0.868 1.00 0.00 N ATOM 928 CA VAL A 59 -7.706 1.659 2.241 1.00 0.00 C ATOM 929 C VAL A 59 -8.868 2.652 2.246 1.00 0.00 C ATOM 930 O VAL A 59 -8.690 3.857 2.376 1.00 0.00 O ATOM 931 CB VAL A 59 -6.514 2.246 2.994 1.00 0.00 C ATOM 932 CG1 VAL A 59 -6.880 2.496 4.456 1.00 0.00 C ATOM 933 CG2 VAL A 59 -5.293 1.332 2.882 1.00 0.00 C ATOM 0 H VAL A 59 -6.468 1.816 0.544 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.008 0.735 2.734 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.255 3.202 2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.021 2.914 4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.713 3.197 4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.168 1.555 4.925 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.458 1.772 3.427 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.529 0.356 3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.021 1.215 1.833 1.00 0.00 H new ATOM 943 N LEU A 60 -10.061 2.058 2.078 1.00 0.00 N ATOM 944 CA LEU A 60 -11.227 2.897 1.919 1.00 0.00 C ATOM 945 C LEU A 60 -11.609 3.548 3.247 1.00 0.00 C ATOM 946 O LEU A 60 -11.215 3.121 4.326 1.00 0.00 O ATOM 947 CB LEU A 60 -12.380 2.051 1.392 1.00 0.00 C ATOM 948 CG LEU A 60 -12.014 1.363 0.074 1.00 0.00 C ATOM 949 CD1 LEU A 60 -13.176 0.517 -0.446 1.00 0.00 C ATOM 950 CD2 LEU A 60 -11.575 2.380 -0.980 1.00 0.00 C ATOM 0 H LEU A 60 -10.227 1.052 2.051 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.003 3.693 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.650 1.299 2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.257 2.681 1.244 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.172 0.700 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.888 0.040 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.426 -0.248 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.043 1.155 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.322 1.860 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.387 3.082 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.702 2.924 -0.619 1.00 0.00 H new ATOM 962 N ARG A 61 -12.401 4.620 3.073 1.00 0.00 N ATOM 963 CA ARG A 61 -12.847 5.361 4.235 1.00 0.00 C ATOM 964 C ARG A 61 -14.280 5.848 4.003 1.00 0.00 C ATOM 965 O ARG A 61 -14.795 5.825 2.894 1.00 0.00 O ATOM 966 CB ARG A 61 -11.889 6.524 4.495 1.00 0.00 C ATOM 967 CG ARG A 61 -12.370 7.431 5.626 1.00 0.00 C ATOM 968 CD ARG A 61 -13.270 8.548 5.091 1.00 0.00 C ATOM 969 NE ARG A 61 -14.225 9.001 6.087 1.00 0.00 N ATOM 970 CZ ARG A 61 -13.806 9.404 7.301 1.00 0.00 C ATOM 971 NH1 ARG A 61 -12.516 9.368 7.616 1.00 0.00 N ATOM 972 NH2 ARG A 61 -14.690 9.843 8.193 1.00 0.00 N ATOM 0 H ARG A 61 -12.728 4.972 2.173 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.845 4.722 5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.903 6.131 4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.779 7.111 3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.916 6.841 6.362 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.511 7.865 6.138 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.654 9.388 4.771 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.805 8.192 4.211 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.220 9.014 5.865 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.834 9.033 6.935 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.207 9.675 8.538 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.682 9.873 7.956 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.376 10.149 9.114 1.00 0.00 H new ATOM 986 N ASP A 62 -14.871 6.255 5.144 1.00 0.00 N ATOM 987 CA ASP A 62 -16.276 6.634 5.208 1.00 0.00 C ATOM 988 C ASP A 62 -17.076 5.480 5.830 1.00 0.00 C ATOM 989 O ASP A 62 -16.559 4.699 6.621 1.00 0.00 O ATOM 990 CB ASP A 62 -16.843 7.016 3.834 1.00 0.00 C ATOM 991 CG ASP A 62 -16.012 8.129 3.191 1.00 0.00 C ATOM 992 OD1 ASP A 62 -15.834 9.167 3.827 1.00 0.00 O ATOM 993 OD2 ASP A 62 -15.558 7.949 2.063 1.00 0.00 O ATOM 0 H ASP A 62 -14.382 6.326 6.036 1.00 0.00 H new ATOM 0 HA ASP A 62 -16.363 7.524 5.831 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.852 6.141 3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -17.877 7.344 3.941 1.00 0.00 H new ATOM 998 N GLY A 63 -18.357 5.419 5.421 1.00 0.00 N ATOM 999 CA GLY A 63 -19.194 4.358 5.948 1.00 0.00 C ATOM 1000 C GLY A 63 -19.700 4.721 7.346 1.00 0.00 C ATOM 1001 O GLY A 63 -20.893 4.724 7.623 1.00 0.00 O ATOM 0 H GLY A 63 -18.804 6.059 4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.039 4.188 5.281 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.629 3.427 5.989 1.00 0.00 H new ATOM 1005 N ALA A 64 -18.706 5.029 8.197 1.00 0.00 N ATOM 1006 CA ALA A 64 -19.037 5.406 9.556 1.00 0.00 C ATOM 1007 C ALA A 64 -18.097 6.525 10.014 1.00 0.00 C ATOM 1008 O ALA A 64 -18.514 7.526 10.584 1.00 0.00 O ATOM 1009 CB ALA A 64 -18.891 4.188 10.464 1.00 0.00 C ATOM 0 H ALA A 64 -17.712 5.022 7.970 1.00 0.00 H new ATOM 0 HA ALA A 64 -20.065 5.765 9.604 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -19.139 4.466 11.488 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -19.566 3.401 10.128 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.864 3.826 10.425 1.00 0.00 H new ATOM 1015 N GLY A 65 -16.807 6.288 9.710 1.00 0.00 N ATOM 1016 CA GLY A 65 -15.842 7.325 10.017 1.00 0.00 C ATOM 1017 C GLY A 65 -14.437 6.764 10.296 1.00 0.00 C ATOM 1018 O GLY A 65 -13.652 7.359 11.024 1.00 0.00 O ATOM 0 H GLY A 65 -16.438 5.440 9.280 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.790 8.026 9.184 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.183 7.888 10.886 1.00 0.00 H new ATOM 1022 N LYS A 66 -14.164 5.595 9.682 1.00 0.00 N ATOM 1023 CA LYS A 66 -12.850 5.016 9.877 1.00 0.00 C ATOM 1024 C LYS A 66 -12.321 4.485 8.542 1.00 0.00 C ATOM 1025 O LYS A 66 -12.791 4.844 7.469 1.00 0.00 O ATOM 1026 CB LYS A 66 -12.945 3.875 10.894 1.00 0.00 C ATOM 1027 CG LYS A 66 -13.508 4.342 12.236 1.00 0.00 C ATOM 1028 CD LYS A 66 -12.417 4.720 13.243 1.00 0.00 C ATOM 1029 CE LYS A 66 -11.472 5.804 12.721 1.00 0.00 C ATOM 1030 NZ LYS A 66 -10.501 5.281 11.768 1.00 0.00 N ATOM 0 H LYS A 66 -14.803 5.070 9.084 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.165 5.776 10.253 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.578 3.084 10.492 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.956 3.444 11.047 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.157 5.202 12.072 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.127 3.551 12.659 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.885 5.067 14.164 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.838 3.831 13.494 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.055 6.593 12.246 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.945 6.258 13.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.555 5.644 12.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.494 4.242 11.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.760 5.583 10.807 1.00 0.00 H new ATOM 1044 N TYR A 67 -11.320 3.598 8.690 1.00 0.00 N ATOM 1045 CA TYR A 67 -10.749 2.992 7.502 1.00 0.00 C ATOM 1046 C TYR A 67 -10.981 1.481 7.544 1.00 0.00 C ATOM 1047 O TYR A 67 -11.064 0.872 8.603 1.00 0.00 O ATOM 1048 CB TYR A 67 -9.252 3.297 7.440 1.00 0.00 C ATOM 1049 CG TYR A 67 -8.998 4.774 7.397 1.00 0.00 C ATOM 1050 CD1 TYR A 67 -8.847 5.520 8.619 1.00 0.00 C ATOM 1051 CD2 TYR A 67 -8.902 5.458 6.132 1.00 0.00 C ATOM 1052 CE1 TYR A 67 -8.603 6.938 8.580 1.00 0.00 C ATOM 1053 CE2 TYR A 67 -8.658 6.875 6.089 1.00 0.00 C ATOM 1054 CZ TYR A 67 -8.509 7.614 7.313 1.00 0.00 C ATOM 1055 OH TYR A 67 -8.274 8.974 7.274 1.00 0.00 O ATOM 0 H TYR A 67 -10.915 3.304 9.579 1.00 0.00 H new ATOM 0 HA TYR A 67 -11.228 3.401 6.612 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.755 2.866 8.309 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.819 2.826 6.558 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.917 5.013 9.570 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -9.014 4.904 5.212 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.491 7.493 9.499 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.587 7.383 5.139 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.238 9.273 6.341 1.00 0.00 H new ATOM 1065 N PHE A 68 -11.089 0.924 6.325 1.00 0.00 N ATOM 1066 CA PHE A 68 -11.325 -0.506 6.256 1.00 0.00 C ATOM 1067 C PHE A 68 -11.072 -0.999 4.830 1.00 0.00 C ATOM 1068 O PHE A 68 -11.361 -0.317 3.854 1.00 0.00 O ATOM 1069 CB PHE A 68 -12.774 -0.802 6.648 1.00 0.00 C ATOM 1070 CG PHE A 68 -13.740 -0.155 5.701 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -14.153 -0.839 4.504 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -14.263 1.158 5.984 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -15.079 -0.218 3.594 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -15.190 1.782 5.077 1.00 0.00 C ATOM 1075 CZ PHE A 68 -15.598 1.092 3.882 1.00 0.00 C ATOM 0 H PHE A 68 -11.020 1.415 5.433 1.00 0.00 H new ATOM 0 HA PHE A 68 -10.650 -1.018 6.941 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.937 -1.880 6.657 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -12.959 -0.443 7.660 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -13.766 -1.824 4.287 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -13.958 1.676 6.881 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.384 -0.735 2.696 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -15.579 2.766 5.293 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.294 1.558 3.201 1.00 0.00 H new ATOM 1085 N LEU A 69 -10.526 -2.228 4.773 1.00 0.00 N ATOM 1086 CA LEU A 69 -10.338 -2.797 3.453 1.00 0.00 C ATOM 1087 C LEU A 69 -11.706 -3.024 2.808 1.00 0.00 C ATOM 1088 O LEU A 69 -11.981 -2.590 1.696 1.00 0.00 O ATOM 1089 CB LEU A 69 -9.593 -4.131 3.530 1.00 0.00 C ATOM 1090 CG LEU A 69 -8.181 -4.005 4.106 1.00 0.00 C ATOM 1091 CD1 LEU A 69 -7.440 -2.813 3.503 1.00 0.00 C ATOM 1092 CD2 LEU A 69 -8.198 -3.922 5.632 1.00 0.00 C ATOM 0 H LEU A 69 -10.231 -2.799 5.566 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.745 -2.103 2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.167 -4.825 4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.533 -4.564 2.531 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.640 -4.911 3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.440 -2.751 3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.364 -2.940 2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.987 -1.896 3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.177 -3.833 6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.774 -3.050 5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.655 -4.823 6.040 1.00 0.00 H new ATOM 1104 N TRP A 70 -12.536 -3.737 3.591 1.00 0.00 N ATOM 1105 CA TRP A 70 -13.851 -4.078 3.079 1.00 0.00 C ATOM 1106 C TRP A 70 -14.898 -3.935 4.187 1.00 0.00 C ATOM 1107 O TRP A 70 -15.977 -3.392 3.991 1.00 0.00 O ATOM 1108 CB TRP A 70 -13.847 -5.524 2.577 1.00 0.00 C ATOM 1109 CG TRP A 70 -12.840 -5.681 1.461 1.00 0.00 C ATOM 1110 CD1 TRP A 70 -12.681 -4.823 0.366 1.00 0.00 C ATOM 1111 CD2 TRP A 70 -11.867 -6.731 1.312 1.00 0.00 C ATOM 1112 NE1 TRP A 70 -11.683 -5.273 -0.437 1.00 0.00 N ATOM 1113 CE2 TRP A 70 -11.137 -6.441 0.081 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -11.540 -7.873 2.082 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -10.098 -7.300 -0.349 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -10.482 -8.752 1.647 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -9.760 -8.465 0.431 1.00 0.00 C ATOM 0 H TRP A 70 -12.325 -4.069 4.532 1.00 0.00 H new ATOM 0 HA TRP A 70 -14.097 -3.403 2.259 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -13.603 -6.201 3.396 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -14.841 -5.797 2.222 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -13.267 -3.933 0.186 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -11.378 -4.819 -1.298 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -12.081 -8.086 2.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -9.559 -7.084 -1.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.230 -9.625 2.231 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.967 -9.122 0.105 1.00 0.00 H new ATOM 1128 N VAL A 71 -14.503 -4.473 5.355 1.00 0.00 N ATOM 1129 CA VAL A 71 -15.443 -4.498 6.457 1.00 0.00 C ATOM 1130 C VAL A 71 -14.796 -3.916 7.716 1.00 0.00 C ATOM 1131 O VAL A 71 -14.995 -2.762 8.075 1.00 0.00 O ATOM 1132 CB VAL A 71 -15.881 -5.941 6.716 1.00 0.00 C ATOM 1133 CG1 VAL A 71 -16.732 -6.039 7.983 1.00 0.00 C ATOM 1134 CG2 VAL A 71 -16.630 -6.507 5.509 1.00 0.00 C ATOM 0 H VAL A 71 -13.584 -4.874 5.543 1.00 0.00 H new ATOM 0 HA VAL A 71 -16.313 -3.894 6.201 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.984 -6.541 6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -17.029 -7.076 8.142 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -16.152 -5.692 8.838 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -17.622 -5.419 7.872 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -16.931 -7.534 5.717 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -17.515 -5.902 5.313 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -15.978 -6.490 4.636 1.00 0.00 H new ATOM 1144 N VAL A 72 -14.034 -4.811 8.366 1.00 0.00 N ATOM 1145 CA VAL A 72 -13.462 -4.440 9.645 1.00 0.00 C ATOM 1146 C VAL A 72 -12.754 -3.088 9.537 1.00 0.00 C ATOM 1147 O VAL A 72 -12.005 -2.817 8.607 1.00 0.00 O ATOM 1148 CB VAL A 72 -12.499 -5.533 10.104 1.00 0.00 C ATOM 1149 CG1 VAL A 72 -13.235 -6.868 10.216 1.00 0.00 C ATOM 1150 CG2 VAL A 72 -11.310 -5.644 9.150 1.00 0.00 C ATOM 0 H VAL A 72 -13.814 -5.751 8.037 1.00 0.00 H new ATOM 0 HA VAL A 72 -14.255 -4.340 10.386 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.113 -5.267 11.088 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.539 -7.641 10.544 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.045 -6.778 10.940 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.647 -7.139 9.244 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.637 -6.429 9.497 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -11.668 -5.888 8.150 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.776 -4.694 9.122 1.00 0.00 H new ATOM 1160 N LYS A 73 -13.064 -2.260 10.552 1.00 0.00 N ATOM 1161 CA LYS A 73 -12.521 -0.915 10.550 1.00 0.00 C ATOM 1162 C LYS A 73 -11.221 -0.864 11.344 1.00 0.00 C ATOM 1163 O LYS A 73 -10.914 -1.725 12.161 1.00 0.00 O ATOM 1164 CB LYS A 73 -13.533 0.051 11.160 1.00 0.00 C ATOM 1165 CG LYS A 73 -14.819 0.096 10.340 1.00 0.00 C ATOM 1166 CD LYS A 73 -15.927 0.869 11.056 1.00 0.00 C ATOM 1167 CE LYS A 73 -17.235 0.852 10.265 1.00 0.00 C ATOM 1168 NZ LYS A 73 -18.311 1.545 10.963 1.00 0.00 N ATOM 0 H LYS A 73 -13.661 -2.495 11.345 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.315 -0.624 9.520 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.761 -0.254 12.181 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.099 1.049 11.215 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.618 0.561 9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.157 -0.921 10.140 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.093 0.436 12.042 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.609 1.900 11.210 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.076 1.319 9.293 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.531 -0.180 10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.069 1.777 10.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.690 0.932 11.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.943 2.421 11.385 1.00 0.00 H new ATOM 1182 N PHE A 74 -10.487 0.218 11.036 1.00 0.00 N ATOM 1183 CA PHE A 74 -9.237 0.419 11.740 1.00 0.00 C ATOM 1184 C PHE A 74 -9.139 1.873 12.197 1.00 0.00 C ATOM 1185 O PHE A 74 -9.472 2.804 11.476 1.00 0.00 O ATOM 1186 CB PHE A 74 -8.035 0.078 10.854 1.00 0.00 C ATOM 1187 CG PHE A 74 -8.151 -1.282 10.226 1.00 0.00 C ATOM 1188 CD1 PHE A 74 -8.990 -1.480 9.072 1.00 0.00 C ATOM 1189 CD2 PHE A 74 -7.429 -2.398 10.778 1.00 0.00 C ATOM 1190 CE1 PHE A 74 -9.108 -2.785 8.475 1.00 0.00 C ATOM 1191 CE2 PHE A 74 -7.542 -3.704 10.183 1.00 0.00 C ATOM 1192 CZ PHE A 74 -8.383 -3.896 9.032 1.00 0.00 C ATOM 0 H PHE A 74 -10.729 0.925 10.342 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.221 -0.247 12.603 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.940 0.830 10.070 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.124 0.123 11.450 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -9.533 -0.646 8.653 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.799 -2.255 11.643 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.739 -2.930 7.611 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.997 -4.538 10.600 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.470 -4.875 8.585 1.00 0.00 H new ATOM 1202 N ASN A 75 -8.658 1.993 13.446 1.00 0.00 N ATOM 1203 CA ASN A 75 -8.466 3.331 13.974 1.00 0.00 C ATOM 1204 C ASN A 75 -7.425 4.105 13.148 1.00 0.00 C ATOM 1205 O ASN A 75 -7.530 5.311 12.962 1.00 0.00 O ATOM 1206 CB ASN A 75 -8.023 3.248 15.435 1.00 0.00 C ATOM 1207 CG ASN A 75 -6.687 2.509 15.532 1.00 0.00 C ATOM 1208 OD1 ASN A 75 -5.616 3.102 15.505 1.00 0.00 O ATOM 1209 ND2 ASN A 75 -6.831 1.177 15.659 1.00 0.00 N ATOM 0 H ASN A 75 -8.411 1.223 14.068 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.413 3.868 13.912 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.925 4.250 15.852 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.779 2.730 16.025 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.008 0.581 15.742 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.763 0.764 15.672 1.00 0.00 H new ATOM 1216 N SER A 76 -6.424 3.343 12.664 1.00 0.00 N ATOM 1217 CA SER A 76 -5.390 3.986 11.878 1.00 0.00 C ATOM 1218 C SER A 76 -4.770 2.977 10.908 1.00 0.00 C ATOM 1219 O SER A 76 -4.749 1.775 11.145 1.00 0.00 O ATOM 1220 CB SER A 76 -4.316 4.555 12.806 1.00 0.00 C ATOM 1221 OG SER A 76 -3.315 5.207 12.066 1.00 0.00 O ATOM 0 H SER A 76 -6.322 2.337 12.800 1.00 0.00 H new ATOM 0 HA SER A 76 -5.829 4.801 11.303 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.769 5.254 13.509 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.874 3.751 13.395 1.00 0.00 H new ATOM 0 HG SER A 76 -2.481 4.696 12.123 1.00 0.00 H new ATOM 1227 N LEU A 77 -4.269 3.557 9.803 1.00 0.00 N ATOM 1228 CA LEU A 77 -3.605 2.722 8.815 1.00 0.00 C ATOM 1229 C LEU A 77 -2.757 1.639 9.497 1.00 0.00 C ATOM 1230 O LEU A 77 -2.703 0.496 9.065 1.00 0.00 O ATOM 1231 CB LEU A 77 -2.694 3.592 7.948 1.00 0.00 C ATOM 1232 CG LEU A 77 -3.457 4.709 7.236 1.00 0.00 C ATOM 1233 CD1 LEU A 77 -2.490 5.650 6.518 1.00 0.00 C ATOM 1234 CD2 LEU A 77 -4.468 4.127 6.251 1.00 0.00 C ATOM 0 H LEU A 77 -4.312 4.553 9.586 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.366 2.240 8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.914 4.029 8.571 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.197 2.966 7.207 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.000 5.283 7.987 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.053 6.438 6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.809 6.095 7.244 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.917 5.089 5.780 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.001 4.938 5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.946 3.526 5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.180 3.500 6.788 1.00 0.00 H new ATOM 1246 N ASN A 78 -2.097 2.088 10.580 1.00 0.00 N ATOM 1247 CA ASN A 78 -1.172 1.208 11.267 1.00 0.00 C ATOM 1248 C ASN A 78 -1.803 -0.158 11.540 1.00 0.00 C ATOM 1249 O ASN A 78 -1.169 -1.194 11.385 1.00 0.00 O ATOM 1250 CB ASN A 78 -0.767 1.840 12.595 1.00 0.00 C ATOM 1251 CG ASN A 78 -0.120 3.205 12.351 1.00 0.00 C ATOM 1252 OD1 ASN A 78 -0.756 4.153 11.907 1.00 0.00 O ATOM 1253 ND2 ASN A 78 1.185 3.234 12.675 1.00 0.00 N ATOM 0 H ASN A 78 -2.190 3.023 10.977 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.300 1.066 10.628 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.642 1.953 13.235 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -0.070 1.187 13.120 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.721 4.094 12.556 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.639 2.396 13.040 1.00 0.00 H new ATOM 1260 N GLU A 79 -3.077 -0.102 11.971 1.00 0.00 N ATOM 1261 CA GLU A 79 -3.684 -1.378 12.314 1.00 0.00 C ATOM 1262 C GLU A 79 -4.009 -2.188 11.049 1.00 0.00 C ATOM 1263 O GLU A 79 -3.919 -3.410 11.034 1.00 0.00 O ATOM 1264 CB GLU A 79 -4.951 -1.157 13.136 1.00 0.00 C ATOM 1265 CG GLU A 79 -5.421 -2.441 13.821 1.00 0.00 C ATOM 1266 CD GLU A 79 -6.701 -2.168 14.614 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -7.783 -2.312 14.051 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -6.599 -1.818 15.790 1.00 0.00 O ATOM 0 H GLU A 79 -3.652 0.733 12.080 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.969 -1.945 12.910 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.765 -0.391 13.889 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.743 -0.781 12.488 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.602 -3.216 13.076 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.643 -2.815 14.487 1.00 0.00 H new ATOM 1275 N LEU A 80 -4.377 -1.434 9.995 1.00 0.00 N ATOM 1276 CA LEU A 80 -4.597 -2.088 8.719 1.00 0.00 C ATOM 1277 C LEU A 80 -3.327 -2.848 8.315 1.00 0.00 C ATOM 1278 O LEU A 80 -3.365 -4.000 7.897 1.00 0.00 O ATOM 1279 CB LEU A 80 -4.952 -1.021 7.678 1.00 0.00 C ATOM 1280 CG LEU A 80 -5.405 -1.585 6.328 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -6.079 -0.482 5.512 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.243 -2.192 5.535 1.00 0.00 C ATOM 0 H LEU A 80 -4.519 -0.424 10.009 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.417 -2.803 8.788 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.744 -0.388 8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.083 -0.382 7.519 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.115 -2.388 6.525 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.401 -0.885 4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.945 -0.105 6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.372 0.331 5.346 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.613 -2.579 4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.492 -1.425 5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.796 -3.004 6.108 1.00 0.00 H new ATOM 1294 N VAL A 81 -2.209 -2.115 8.470 1.00 0.00 N ATOM 1295 CA VAL A 81 -0.924 -2.660 8.075 1.00 0.00 C ATOM 1296 C VAL A 81 -0.574 -3.897 8.911 1.00 0.00 C ATOM 1297 O VAL A 81 -0.049 -4.883 8.409 1.00 0.00 O ATOM 1298 CB VAL A 81 0.143 -1.581 8.265 1.00 0.00 C ATOM 1299 CG1 VAL A 81 1.541 -2.121 7.959 1.00 0.00 C ATOM 1300 CG2 VAL A 81 -0.165 -0.359 7.399 1.00 0.00 C ATOM 0 H VAL A 81 -2.180 -1.171 8.856 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.969 -2.965 7.029 1.00 0.00 H new ATOM 0 HB VAL A 81 0.126 -1.276 9.311 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.276 -1.330 8.103 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.765 -2.951 8.629 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.579 -2.468 6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.606 0.397 7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.186 -0.653 6.350 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.135 0.051 7.680 1.00 0.00 H new ATOM 1310 N ASP A 82 -0.893 -3.776 10.212 1.00 0.00 N ATOM 1311 CA ASP A 82 -0.534 -4.864 11.105 1.00 0.00 C ATOM 1312 C ASP A 82 -1.413 -6.093 10.850 1.00 0.00 C ATOM 1313 O ASP A 82 -0.952 -7.228 10.871 1.00 0.00 O ATOM 1314 CB ASP A 82 -0.681 -4.406 12.556 1.00 0.00 C ATOM 1315 CG ASP A 82 -0.263 -5.533 13.502 1.00 0.00 C ATOM 1316 OD1 ASP A 82 0.498 -6.402 13.080 1.00 0.00 O ATOM 1317 OD2 ASP A 82 -0.708 -5.532 14.649 1.00 0.00 O ATOM 0 H ASP A 82 -1.370 -2.982 10.639 1.00 0.00 H new ATOM 0 HA ASP A 82 0.502 -5.143 10.915 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.065 -3.524 12.732 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.714 -4.118 12.753 1.00 0.00 H new ATOM 1322 N TYR A 83 -2.702 -5.794 10.612 1.00 0.00 N ATOM 1323 CA TYR A 83 -3.631 -6.887 10.392 1.00 0.00 C ATOM 1324 C TYR A 83 -3.157 -7.767 9.230 1.00 0.00 C ATOM 1325 O TYR A 83 -3.234 -8.989 9.278 1.00 0.00 O ATOM 1326 CB TYR A 83 -5.022 -6.326 10.092 1.00 0.00 C ATOM 1327 CG TYR A 83 -6.022 -7.425 9.881 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -5.933 -8.647 10.639 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -7.079 -7.264 8.916 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -6.893 -9.699 10.436 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -8.040 -8.315 8.710 1.00 0.00 C ATOM 1332 CZ TYR A 83 -7.947 -9.532 9.471 1.00 0.00 C ATOM 1333 OH TYR A 83 -8.868 -10.540 9.275 1.00 0.00 O ATOM 0 H TYR A 83 -3.098 -4.855 10.570 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.676 -7.499 11.293 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.346 -5.691 10.917 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.978 -5.696 9.203 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -5.142 -8.774 11.363 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.151 -6.350 8.344 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.823 -10.613 11.007 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.830 -8.190 7.985 1.00 0.00 H new ATOM 0 HH TYR A 83 -9.513 -10.265 8.590 1.00 0.00 H new ATOM 1343 N HIS A 84 -2.666 -7.069 8.189 1.00 0.00 N ATOM 1344 CA HIS A 84 -2.213 -7.807 7.024 1.00 0.00 C ATOM 1345 C HIS A 84 -0.711 -8.098 7.118 1.00 0.00 C ATOM 1346 O HIS A 84 0.020 -8.021 6.138 1.00 0.00 O ATOM 1347 CB HIS A 84 -2.515 -7.008 5.755 1.00 0.00 C ATOM 1348 CG HIS A 84 -4.007 -6.803 5.634 1.00 0.00 C ATOM 1349 ND1 HIS A 84 -4.926 -7.703 6.048 1.00 0.00 N ATOM 1350 CD2 HIS A 84 -4.680 -5.693 5.099 1.00 0.00 C ATOM 1351 CE1 HIS A 84 -6.122 -7.154 5.772 1.00 0.00 C ATOM 1352 NE2 HIS A 84 -6.005 -5.941 5.200 1.00 0.00 N ATOM 0 H HIS A 84 -2.580 -6.054 8.139 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.745 -8.758 6.985 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.006 -6.045 5.789 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -2.137 -7.537 4.880 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -4.749 -8.610 6.480 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -4.224 -4.806 4.684 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.067 -7.631 5.985 1.00 0.00 H new ATOM 1360 N ARG A 85 -0.303 -8.439 8.355 1.00 0.00 N ATOM 1361 CA ARG A 85 1.098 -8.776 8.547 1.00 0.00 C ATOM 1362 C ARG A 85 1.322 -10.289 8.773 1.00 0.00 C ATOM 1363 O ARG A 85 2.448 -10.767 8.708 1.00 0.00 O ATOM 1364 CB ARG A 85 1.650 -7.982 9.732 1.00 0.00 C ATOM 1365 CG ARG A 85 3.142 -8.234 9.943 1.00 0.00 C ATOM 1366 CD ARG A 85 3.705 -7.390 11.086 1.00 0.00 C ATOM 1367 NE ARG A 85 3.007 -7.693 12.322 1.00 0.00 N ATOM 1368 CZ ARG A 85 3.415 -8.747 13.054 1.00 0.00 C ATOM 1369 NH1 ARG A 85 4.439 -9.492 12.646 1.00 0.00 N ATOM 1370 NH2 ARG A 85 2.791 -9.043 14.190 1.00 0.00 N ATOM 0 H ARG A 85 -0.893 -8.485 9.186 1.00 0.00 H new ATOM 0 HA ARG A 85 1.629 -8.512 7.632 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.482 -6.918 9.566 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.105 -8.253 10.636 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.305 -9.290 10.157 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.682 -8.007 9.024 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.770 -7.588 11.203 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.601 -6.331 10.851 1.00 0.00 H new ATOM 0 HE ARG A 85 2.222 -7.119 12.630 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.919 -9.266 11.775 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.744 -10.289 13.204 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.006 -8.472 14.504 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.097 -9.841 14.747 1.00 0.00 H new ATOM 1384 N SER A 86 0.213 -11.014 9.035 1.00 0.00 N ATOM 1385 CA SER A 86 0.368 -12.440 9.255 1.00 0.00 C ATOM 1386 C SER A 86 -0.660 -13.220 8.429 1.00 0.00 C ATOM 1387 O SER A 86 -0.359 -14.246 7.831 1.00 0.00 O ATOM 1388 CB SER A 86 0.193 -12.753 10.741 1.00 0.00 C ATOM 1389 OG SER A 86 0.364 -14.126 10.982 1.00 0.00 O ATOM 0 H SER A 86 -0.738 -10.651 9.094 1.00 0.00 H new ATOM 0 HA SER A 86 1.367 -12.741 8.940 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.915 -12.183 11.325 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.799 -12.442 11.069 1.00 0.00 H new ATOM 0 HG SER A 86 0.250 -14.307 11.938 1.00 0.00 H new ATOM 1395 N THR A 87 -1.888 -12.670 8.438 1.00 0.00 N ATOM 1396 CA THR A 87 -2.950 -13.352 7.723 1.00 0.00 C ATOM 1397 C THR A 87 -3.028 -12.877 6.266 1.00 0.00 C ATOM 1398 O THR A 87 -4.104 -12.740 5.696 1.00 0.00 O ATOM 1399 CB THR A 87 -4.281 -13.089 8.429 1.00 0.00 C ATOM 1400 OG1 THR A 87 -4.559 -11.712 8.399 1.00 0.00 O ATOM 1401 CG2 THR A 87 -4.256 -13.571 9.880 1.00 0.00 C ATOM 0 H THR A 87 -2.149 -11.803 8.908 1.00 0.00 H new ATOM 0 HA THR A 87 -2.738 -14.421 7.717 1.00 0.00 H new ATOM 0 HB THR A 87 -5.058 -13.645 7.904 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.412 -11.541 8.850 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.219 -13.367 10.348 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.061 -14.643 9.904 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.470 -13.047 10.424 1.00 0.00 H new ATOM 1409 N SER A 88 -1.829 -12.636 5.705 1.00 0.00 N ATOM 1410 CA SER A 88 -1.779 -12.206 4.318 1.00 0.00 C ATOM 1411 C SER A 88 -2.880 -11.177 4.045 1.00 0.00 C ATOM 1412 O SER A 88 -3.488 -10.624 4.954 1.00 0.00 O ATOM 1413 CB SER A 88 -1.943 -13.419 3.401 1.00 0.00 C ATOM 1414 OG SER A 88 -1.825 -13.048 2.051 1.00 0.00 O ATOM 0 H SER A 88 -0.928 -12.729 6.173 1.00 0.00 H new ATOM 0 HA SER A 88 -0.815 -11.738 4.120 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.189 -14.168 3.644 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.916 -13.880 3.572 1.00 0.00 H new ATOM 0 HG SER A 88 -2.369 -13.647 1.498 1.00 0.00 H new ATOM 1420 N VAL A 89 -3.092 -10.964 2.734 1.00 0.00 N ATOM 1421 CA VAL A 89 -4.119 -10.010 2.363 1.00 0.00 C ATOM 1422 C VAL A 89 -4.769 -10.442 1.045 1.00 0.00 C ATOM 1423 O VAL A 89 -4.935 -9.661 0.116 1.00 0.00 O ATOM 1424 CB VAL A 89 -3.506 -8.614 2.237 1.00 0.00 C ATOM 1425 CG1 VAL A 89 -2.455 -8.578 1.126 1.00 0.00 C ATOM 1426 CG2 VAL A 89 -4.586 -7.557 2.004 1.00 0.00 C ATOM 0 H VAL A 89 -2.594 -11.414 1.966 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.888 -9.979 3.135 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.009 -8.380 3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.034 -7.575 1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.661 -9.290 1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.920 -8.843 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.121 -6.575 1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.126 -7.785 1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.282 -7.557 2.843 1.00 0.00 H new ATOM 1436 N SER A 90 -5.113 -11.742 1.035 1.00 0.00 N ATOM 1437 CA SER A 90 -5.727 -12.285 -0.163 1.00 0.00 C ATOM 1438 C SER A 90 -6.012 -13.774 0.039 1.00 0.00 C ATOM 1439 O SER A 90 -5.247 -14.498 0.666 1.00 0.00 O ATOM 1440 CB SER A 90 -4.796 -12.086 -1.359 1.00 0.00 C ATOM 1441 OG SER A 90 -5.381 -12.593 -2.532 1.00 0.00 O ATOM 0 H SER A 90 -4.981 -12.397 1.805 1.00 0.00 H new ATOM 0 HA SER A 90 -6.665 -11.765 -0.357 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.578 -11.025 -1.484 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.846 -12.587 -1.174 1.00 0.00 H new ATOM 0 HG SER A 90 -4.772 -12.455 -3.287 1.00 0.00 H new ATOM 1447 N ARG A 91 -7.164 -14.179 -0.528 1.00 0.00 N ATOM 1448 CA ARG A 91 -7.543 -15.577 -0.407 1.00 0.00 C ATOM 1449 C ARG A 91 -6.321 -16.480 -0.605 1.00 0.00 C ATOM 1450 O ARG A 91 -6.106 -17.442 0.122 1.00 0.00 O ATOM 1451 CB ARG A 91 -8.634 -15.909 -1.426 1.00 0.00 C ATOM 1452 CG ARG A 91 -8.200 -15.623 -2.866 1.00 0.00 C ATOM 1453 CD ARG A 91 -9.332 -15.883 -3.859 1.00 0.00 C ATOM 1454 NE ARG A 91 -9.752 -17.270 -3.784 1.00 0.00 N ATOM 1455 CZ ARG A 91 -8.935 -18.222 -4.277 1.00 0.00 C ATOM 1456 NH1 ARG A 91 -7.769 -17.888 -4.823 1.00 0.00 N ATOM 1457 NH2 ARG A 91 -9.297 -19.500 -4.215 1.00 0.00 N ATOM 0 H ARG A 91 -7.811 -13.585 -1.046 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.936 -15.754 0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.904 -16.961 -1.334 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.528 -15.329 -1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -7.874 -14.586 -2.949 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.343 -16.248 -3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.175 -15.227 -3.641 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.000 -15.650 -4.871 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.648 -17.520 -3.366 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.490 -16.908 -4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.154 -18.612 -5.195 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.190 -19.757 -3.795 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.681 -20.223 -4.587 1.00 0.00 H new ATOM 1471 N ASN A 92 -5.528 -16.088 -1.617 1.00 0.00 N ATOM 1472 CA ASN A 92 -4.276 -16.793 -1.796 1.00 0.00 C ATOM 1473 C ASN A 92 -3.314 -16.370 -0.685 1.00 0.00 C ATOM 1474 O ASN A 92 -2.614 -15.369 -0.780 1.00 0.00 O ATOM 1475 CB ASN A 92 -3.684 -16.462 -3.167 1.00 0.00 C ATOM 1476 CG ASN A 92 -4.664 -16.873 -4.268 1.00 0.00 C ATOM 1477 OD1 ASN A 92 -5.267 -17.939 -4.232 1.00 0.00 O ATOM 1478 ND2 ASN A 92 -4.781 -15.951 -5.239 1.00 0.00 N ATOM 0 H ASN A 92 -5.724 -15.336 -2.277 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.442 -17.869 -1.745 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.474 -15.395 -3.234 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.735 -16.983 -3.299 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.411 -16.115 -6.024 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.240 -15.088 -5.190 1.00 0.00 H new ATOM 1485 N GLN A 93 -3.335 -17.202 0.372 1.00 0.00 N ATOM 1486 CA GLN A 93 -2.517 -16.858 1.518 1.00 0.00 C ATOM 1487 C GLN A 93 -1.037 -17.022 1.169 1.00 0.00 C ATOM 1488 O GLN A 93 -0.483 -18.114 1.176 1.00 0.00 O ATOM 1489 CB GLN A 93 -2.884 -17.756 2.699 1.00 0.00 C ATOM 1490 CG GLN A 93 -4.359 -17.620 3.082 1.00 0.00 C ATOM 1491 CD GLN A 93 -4.673 -18.532 4.270 1.00 0.00 C ATOM 1492 OE1 GLN A 93 -5.082 -19.676 4.117 1.00 0.00 O ATOM 1493 NE2 GLN A 93 -4.463 -17.937 5.459 1.00 0.00 N ATOM 0 H GLN A 93 -3.878 -18.063 0.446 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.699 -15.819 1.792 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -2.669 -18.794 2.446 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.261 -17.501 3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.584 -16.584 3.338 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.990 -17.883 2.233 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -4.120 -16.977 5.495 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.647 -18.446 6.324 1.00 0.00 H new ATOM 1502 N GLN A 94 -0.448 -15.849 0.875 1.00 0.00 N ATOM 1503 CA GLN A 94 0.964 -15.832 0.542 1.00 0.00 C ATOM 1504 C GLN A 94 1.408 -14.388 0.275 1.00 0.00 C ATOM 1505 O GLN A 94 2.099 -14.091 -0.691 1.00 0.00 O ATOM 1506 CB GLN A 94 1.216 -16.710 -0.686 1.00 0.00 C ATOM 1507 CG GLN A 94 2.707 -16.860 -0.995 1.00 0.00 C ATOM 1508 CD GLN A 94 2.895 -17.772 -2.209 1.00 0.00 C ATOM 1509 OE1 GLN A 94 2.904 -18.992 -2.106 1.00 0.00 O ATOM 1510 NE2 GLN A 94 3.052 -17.091 -3.359 1.00 0.00 N ATOM 0 H GLN A 94 -0.915 -14.942 0.864 1.00 0.00 H new ATOM 0 HA GLN A 94 1.543 -16.229 1.375 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.780 -17.695 -0.521 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.710 -16.278 -1.549 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.147 -15.882 -1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.227 -17.276 -0.132 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.031 -16.071 -3.355 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.192 -17.595 -4.235 1.00 0.00 H new ATOM 1519 N ILE A 95 0.953 -13.517 1.194 1.00 0.00 N ATOM 1520 CA ILE A 95 1.277 -12.113 1.035 1.00 0.00 C ATOM 1521 C ILE A 95 1.632 -11.511 2.397 1.00 0.00 C ATOM 1522 O ILE A 95 1.202 -11.983 3.442 1.00 0.00 O ATOM 1523 CB ILE A 95 0.089 -11.374 0.418 1.00 0.00 C ATOM 1524 CG1 ILE A 95 -0.338 -12.045 -0.888 1.00 0.00 C ATOM 1525 CG2 ILE A 95 0.424 -9.901 0.185 1.00 0.00 C ATOM 1526 CD1 ILE A 95 -1.510 -11.324 -1.553 1.00 0.00 C ATOM 0 H ILE A 95 0.389 -13.755 2.010 1.00 0.00 H new ATOM 0 HA ILE A 95 2.135 -12.010 0.370 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.744 -11.422 1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.508 -12.070 -1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.617 -13.080 -0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.437 -9.397 -0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.674 -9.430 1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.274 -9.824 -0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.777 -11.838 -2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.366 -11.322 -0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.224 -10.297 -1.779 1.00 0.00 H new ATOM 1538 N PHE A 96 2.449 -10.447 2.310 1.00 0.00 N ATOM 1539 CA PHE A 96 2.827 -9.782 3.542 1.00 0.00 C ATOM 1540 C PHE A 96 3.075 -8.298 3.271 1.00 0.00 C ATOM 1541 O PHE A 96 2.961 -7.814 2.152 1.00 0.00 O ATOM 1542 CB PHE A 96 4.085 -10.434 4.117 1.00 0.00 C ATOM 1543 CG PHE A 96 3.860 -11.889 4.404 1.00 0.00 C ATOM 1544 CD1 PHE A 96 3.362 -12.306 5.689 1.00 0.00 C ATOM 1545 CD2 PHE A 96 4.141 -12.879 3.397 1.00 0.00 C ATOM 1546 CE1 PHE A 96 3.145 -13.701 5.967 1.00 0.00 C ATOM 1547 CE2 PHE A 96 3.925 -14.275 3.671 1.00 0.00 C ATOM 1548 CZ PHE A 96 3.427 -14.686 4.957 1.00 0.00 C ATOM 0 H PHE A 96 2.834 -10.057 1.450 1.00 0.00 H new ATOM 0 HA PHE A 96 2.019 -9.878 4.268 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.909 -10.323 3.413 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.377 -9.921 5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 96 3.150 -11.568 6.448 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.516 -12.572 2.432 1.00 0.00 H new ATOM 0 HE1 PHE A 96 2.771 -14.008 6.932 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.136 -15.014 2.912 1.00 0.00 H new ATOM 0 HZ PHE A 96 3.265 -15.734 5.164 1.00 0.00 H new ATOM 1558 N LEU A 97 3.428 -7.617 4.376 1.00 0.00 N ATOM 1559 CA LEU A 97 3.754 -6.210 4.238 1.00 0.00 C ATOM 1560 C LEU A 97 5.147 -5.958 4.816 1.00 0.00 C ATOM 1561 O LEU A 97 5.366 -5.995 6.020 1.00 0.00 O ATOM 1562 CB LEU A 97 2.710 -5.358 4.963 1.00 0.00 C ATOM 1563 CG LEU A 97 1.307 -5.562 4.393 1.00 0.00 C ATOM 1564 CD1 LEU A 97 0.281 -4.744 5.179 1.00 0.00 C ATOM 1565 CD2 LEU A 97 1.263 -5.191 2.910 1.00 0.00 C ATOM 0 H LEU A 97 3.490 -8.001 5.319 1.00 0.00 H new ATOM 0 HA LEU A 97 3.749 -5.934 3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.710 -5.609 6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.983 -4.306 4.885 1.00 0.00 H new ATOM 0 HG LEU A 97 1.054 -6.618 4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.711 -4.903 4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.287 -5.059 6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.536 -3.686 5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.254 -5.344 2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.542 -4.144 2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.961 -5.819 2.357 1.00 0.00 H new ATOM 1577 N ARG A 98 6.068 -5.705 3.869 1.00 0.00 N ATOM 1578 CA ARG A 98 7.442 -5.505 4.286 1.00 0.00 C ATOM 1579 C ARG A 98 7.955 -4.162 3.761 1.00 0.00 C ATOM 1580 O ARG A 98 7.483 -3.632 2.763 1.00 0.00 O ATOM 1581 CB ARG A 98 8.313 -6.644 3.757 1.00 0.00 C ATOM 1582 CG ARG A 98 7.829 -8.009 4.251 1.00 0.00 C ATOM 1583 CD ARG A 98 7.948 -8.140 5.770 1.00 0.00 C ATOM 1584 NE ARG A 98 9.331 -7.980 6.177 1.00 0.00 N ATOM 1585 CZ ARG A 98 9.709 -8.442 7.384 1.00 0.00 C ATOM 1586 NH1 ARG A 98 8.825 -9.034 8.183 1.00 0.00 N ATOM 1587 NH2 ARG A 98 10.972 -8.306 7.780 1.00 0.00 N ATOM 0 H ARG A 98 5.890 -5.639 2.867 1.00 0.00 H new ATOM 0 HA ARG A 98 7.490 -5.499 5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.307 -6.629 2.667 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.345 -6.489 4.072 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.790 -8.155 3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.411 -8.796 3.772 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.328 -7.388 6.257 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.577 -9.114 6.089 1.00 0.00 H new ATOM 0 HE ARG A 98 10.005 -7.526 5.560 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.856 -9.140 7.882 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.116 -9.382 9.096 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.652 -7.852 7.170 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.260 -8.655 8.694 1.00 0.00 H new ATOM 1601 N ASP A 99 8.950 -3.655 4.511 1.00 0.00 N ATOM 1602 CA ASP A 99 9.531 -2.390 4.110 1.00 0.00 C ATOM 1603 C ASP A 99 9.961 -2.464 2.643 1.00 0.00 C ATOM 1604 O ASP A 99 10.803 -3.262 2.252 1.00 0.00 O ATOM 1605 CB ASP A 99 10.734 -2.068 4.996 1.00 0.00 C ATOM 1606 CG ASP A 99 11.327 -0.716 4.595 1.00 0.00 C ATOM 1607 OD1 ASP A 99 10.722 -0.029 3.774 1.00 0.00 O ATOM 1608 OD2 ASP A 99 12.391 -0.367 5.107 1.00 0.00 O ATOM 0 H ASP A 99 9.342 -4.083 5.350 1.00 0.00 H new ATOM 0 HA ASP A 99 8.789 -1.599 4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.431 -2.046 6.043 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.488 -2.849 4.899 1.00 0.00 H new ATOM 1613 N ILE A 100 9.319 -1.571 1.868 1.00 0.00 N ATOM 1614 CA ILE A 100 9.625 -1.522 0.449 1.00 0.00 C ATOM 1615 C ILE A 100 11.017 -0.916 0.185 1.00 0.00 C ATOM 1616 O ILE A 100 11.257 -0.293 -0.841 1.00 0.00 O ATOM 1617 CB ILE A 100 8.549 -0.671 -0.219 1.00 0.00 C ATOM 1618 CG1 ILE A 100 8.575 -0.804 -1.740 1.00 0.00 C ATOM 1619 CG2 ILE A 100 8.713 0.785 0.204 1.00 0.00 C ATOM 1620 CD1 ILE A 100 7.483 0.042 -2.391 1.00 0.00 C ATOM 0 H ILE A 100 8.617 -0.906 2.192 1.00 0.00 H new ATOM 0 HA ILE A 100 9.639 -2.534 0.043 1.00 0.00 H new ATOM 0 HB ILE A 100 7.576 -1.035 0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.550 -0.496 -2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.442 -1.850 -2.018 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.944 1.392 -0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.615 0.862 1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 100 9.697 1.143 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.529 -0.075 -3.474 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.507 -0.285 -2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.632 1.090 -2.133 1.00 0.00 H new ATOM 1632 N GLU A 101 11.909 -1.116 1.173 1.00 0.00 N ATOM 1633 CA GLU A 101 13.212 -0.496 1.058 1.00 0.00 C ATOM 1634 C GLU A 101 14.257 -1.356 1.773 1.00 0.00 C ATOM 1635 O GLU A 101 14.100 -1.746 2.924 1.00 0.00 O ATOM 1636 CB GLU A 101 13.137 0.904 1.664 1.00 0.00 C ATOM 1637 CG GLU A 101 12.519 1.912 0.695 1.00 0.00 C ATOM 1638 CD GLU A 101 13.372 2.006 -0.572 1.00 0.00 C ATOM 1639 OE1 GLU A 101 13.124 1.243 -1.504 1.00 0.00 O ATOM 1640 OE2 GLU A 101 14.271 2.845 -0.614 1.00 0.00 O ATOM 0 H GLU A 101 11.752 -1.674 2.012 1.00 0.00 H new ATOM 0 HA GLU A 101 13.508 -0.414 0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.547 0.872 2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 101 14.138 1.234 1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.504 1.608 0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.449 2.890 1.170 1.00 0.00 H new ATOM 1647 N GLN A 102 15.330 -1.620 1.005 1.00 0.00 N ATOM 1648 CA GLN A 102 16.396 -2.439 1.553 1.00 0.00 C ATOM 1649 C GLN A 102 16.693 -2.017 2.993 1.00 0.00 C ATOM 1650 O GLN A 102 16.888 -0.847 3.300 1.00 0.00 O ATOM 1651 CB GLN A 102 17.651 -2.294 0.691 1.00 0.00 C ATOM 1652 CG GLN A 102 18.800 -3.160 1.209 1.00 0.00 C ATOM 1653 CD GLN A 102 18.387 -4.633 1.202 1.00 0.00 C ATOM 1654 OE1 GLN A 102 17.934 -5.174 0.200 1.00 0.00 O ATOM 1655 NE2 GLN A 102 18.572 -5.237 2.390 1.00 0.00 N ATOM 0 H GLN A 102 15.469 -1.291 0.050 1.00 0.00 H new ATOM 0 HA GLN A 102 16.083 -3.483 1.553 1.00 0.00 H new ATOM 0 HB2 GLN A 102 17.420 -2.574 -0.337 1.00 0.00 H new ATOM 0 HB3 GLN A 102 17.962 -1.249 0.675 1.00 0.00 H new ATOM 0 HG2 GLN A 102 19.683 -3.018 0.586 1.00 0.00 H new ATOM 0 HG3 GLN A 102 19.070 -2.854 2.220 1.00 0.00 H new ATOM 0 HE21 GLN A 102 18.956 -4.711 3.175 1.00 0.00 H new ATOM 0 HE22 GLN A 102 18.328 -6.221 2.505 1.00 0.00 H new ATOM 1664 N VAL A 103 16.711 -3.056 3.848 1.00 0.00 N ATOM 1665 CA VAL A 103 16.984 -2.791 5.248 1.00 0.00 C ATOM 1666 C VAL A 103 18.444 -2.342 5.405 1.00 0.00 C ATOM 1667 O VAL A 103 19.354 -2.922 4.825 1.00 0.00 O ATOM 1668 CB VAL A 103 16.738 -4.066 6.057 1.00 0.00 C ATOM 1669 CG1 VAL A 103 17.668 -5.186 5.591 1.00 0.00 C ATOM 1670 CG2 VAL A 103 16.904 -3.812 7.555 1.00 0.00 C ATOM 0 H VAL A 103 16.548 -4.032 3.601 1.00 0.00 H new ATOM 0 HA VAL A 103 16.327 -2.001 5.612 1.00 0.00 H new ATOM 0 HB VAL A 103 15.708 -4.379 5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 103 17.478 -6.085 6.178 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.485 -5.396 4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 103 18.705 -4.877 5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 103 16.723 -4.737 8.103 1.00 0.00 H new ATOM 0 HG22 VAL A 103 17.917 -3.464 7.755 1.00 0.00 H new ATOM 0 HG23 VAL A 103 16.190 -3.054 7.877 1.00 0.00 H new ATOM 1680 N PRO A 104 18.626 -1.275 6.217 1.00 0.00 N ATOM 1681 CA PRO A 104 19.944 -0.718 6.489 1.00 0.00 C ATOM 1682 C PRO A 104 20.781 -1.651 7.363 1.00 0.00 C ATOM 1683 O PRO A 104 20.376 -2.056 8.446 1.00 0.00 O ATOM 1684 CB PRO A 104 19.659 0.574 7.257 1.00 0.00 C ATOM 1685 CG PRO A 104 18.266 0.373 7.865 1.00 0.00 C ATOM 1686 CD PRO A 104 17.548 -0.576 6.903 1.00 0.00 C ATOM 0 HA PRO A 104 20.508 -0.564 5.569 1.00 0.00 H new ATOM 0 HB2 PRO A 104 20.407 0.746 8.031 1.00 0.00 H new ATOM 0 HB3 PRO A 104 19.680 1.440 6.595 1.00 0.00 H new ATOM 0 HG2 PRO A 104 18.330 -0.054 8.866 1.00 0.00 H new ATOM 0 HG3 PRO A 104 17.734 1.320 7.955 1.00 0.00 H new ATOM 0 HD2 PRO A 104 16.901 -1.271 7.438 1.00 0.00 H new ATOM 0 HD3 PRO A 104 16.918 -0.030 6.201 1.00 0.00 H new ATOM 1694 N GLN A 105 21.967 -1.951 6.802 1.00 0.00 N ATOM 1695 CA GLN A 105 22.932 -2.796 7.485 1.00 0.00 C ATOM 1696 C GLN A 105 22.672 -4.265 7.146 1.00 0.00 C ATOM 1697 O GLN A 105 21.596 -4.802 7.377 1.00 0.00 O ATOM 1698 CB GLN A 105 22.910 -2.584 9.001 1.00 0.00 C ATOM 1699 CG GLN A 105 23.009 -1.105 9.380 1.00 0.00 C ATOM 1700 CD GLN A 105 23.011 -0.959 10.903 1.00 0.00 C ATOM 1701 OE1 GLN A 105 23.747 -0.165 11.477 1.00 0.00 O ATOM 1702 NE2 GLN A 105 22.142 -1.787 11.511 1.00 0.00 N ATOM 0 H GLN A 105 22.267 -1.619 5.886 1.00 0.00 H new ATOM 0 HA GLN A 105 23.925 -2.515 7.135 1.00 0.00 H new ATOM 0 HB2 GLN A 105 21.990 -3.001 9.411 1.00 0.00 H new ATOM 0 HB3 GLN A 105 23.738 -3.130 9.454 1.00 0.00 H new ATOM 0 HG2 GLN A 105 23.919 -0.673 8.963 1.00 0.00 H new ATOM 0 HG3 GLN A 105 22.171 -0.554 8.954 1.00 0.00 H new ATOM 0 HE21 GLN A 105 21.565 -2.418 10.955 1.00 0.00 H new ATOM 0 HE22 GLN A 105 22.060 -1.783 12.528 1.00 0.00 H new ATOM 1711 N GLN A 106 23.733 -4.867 6.578 1.00 0.00 N ATOM 1712 CA GLN A 106 23.607 -6.261 6.198 1.00 0.00 C ATOM 1713 C GLN A 106 24.307 -7.140 7.239 1.00 0.00 C ATOM 1714 O GLN A 106 25.212 -6.708 7.943 1.00 0.00 O ATOM 1715 CB GLN A 106 24.237 -6.469 4.820 1.00 0.00 C ATOM 1716 CG GLN A 106 23.572 -5.598 3.753 1.00 0.00 C ATOM 1717 CD GLN A 106 22.085 -5.945 3.652 1.00 0.00 C ATOM 1718 OE1 GLN A 106 21.663 -6.752 2.833 1.00 0.00 O ATOM 1719 NE2 GLN A 106 21.327 -5.271 4.535 1.00 0.00 N ATOM 0 H GLN A 106 24.634 -4.429 6.385 1.00 0.00 H new ATOM 0 HA GLN A 106 22.554 -6.538 6.153 1.00 0.00 H new ATOM 0 HB2 GLN A 106 25.301 -6.236 4.868 1.00 0.00 H new ATOM 0 HB3 GLN A 106 24.153 -7.518 4.537 1.00 0.00 H new ATOM 0 HG2 GLN A 106 23.692 -4.544 4.004 1.00 0.00 H new ATOM 0 HG3 GLN A 106 24.057 -5.754 2.789 1.00 0.00 H new ATOM 0 HE21 GLN A 106 21.762 -4.615 5.184 1.00 0.00 H new ATOM 0 HE22 GLN A 106 20.318 -5.416 4.556 1.00 0.00 H new ATOM 1728 N PRO A 107 23.835 -8.407 7.300 1.00 0.00 N ATOM 1729 CA PRO A 107 24.395 -9.405 8.200 1.00 0.00 C ATOM 1730 C PRO A 107 25.924 -9.459 8.173 1.00 0.00 C ATOM 1731 O PRO A 107 26.544 -9.695 7.144 1.00 0.00 O ATOM 1732 CB PRO A 107 23.799 -10.724 7.703 1.00 0.00 C ATOM 1733 CG PRO A 107 22.506 -10.330 6.985 1.00 0.00 C ATOM 1734 CD PRO A 107 22.749 -8.910 6.468 1.00 0.00 C ATOM 0 HA PRO A 107 24.152 -9.176 9.238 1.00 0.00 H new ATOM 0 HB2 PRO A 107 24.484 -11.237 7.028 1.00 0.00 H new ATOM 0 HB3 PRO A 107 23.599 -11.403 8.531 1.00 0.00 H new ATOM 0 HG2 PRO A 107 22.286 -11.015 6.166 1.00 0.00 H new ATOM 0 HG3 PRO A 107 21.654 -10.361 7.664 1.00 0.00 H new ATOM 0 HD2 PRO A 107 23.024 -8.912 5.413 1.00 0.00 H new ATOM 0 HD3 PRO A 107 21.856 -8.293 6.564 1.00 0.00 H new ATOM 1742 N THR A 108 26.477 -9.225 9.376 1.00 0.00 N ATOM 1743 CA THR A 108 27.921 -9.271 9.496 1.00 0.00 C ATOM 1744 C THR A 108 28.552 -8.170 8.642 1.00 0.00 C ATOM 1745 O THR A 108 28.340 -8.080 7.439 1.00 0.00 O ATOM 1746 CB THR A 108 28.437 -10.643 9.056 1.00 0.00 C ATOM 1747 OG1 THR A 108 27.819 -11.642 9.827 1.00 0.00 O ATOM 1748 CG2 THR A 108 29.954 -10.751 9.209 1.00 0.00 C ATOM 0 H THR A 108 25.965 -9.013 10.233 1.00 0.00 H new ATOM 0 HA THR A 108 28.197 -9.108 10.538 1.00 0.00 H new ATOM 0 HB THR A 108 28.194 -10.772 8.001 1.00 0.00 H new ATOM 0 HG1 THR A 108 28.147 -12.522 9.546 1.00 0.00 H new ATOM 0 HG21 THR A 108 30.283 -11.739 8.887 1.00 0.00 H new ATOM 0 HG22 THR A 108 30.437 -9.990 8.596 1.00 0.00 H new ATOM 0 HG23 THR A 108 30.226 -10.601 10.254 1.00 0.00 H new ATOM 1756 N TYR A 109 29.340 -7.343 9.354 1.00 0.00 N ATOM 1757 CA TYR A 109 30.008 -6.260 8.660 1.00 0.00 C ATOM 1758 C TYR A 109 31.507 -6.303 8.965 1.00 0.00 C ATOM 1759 O TYR A 109 31.937 -6.201 10.108 1.00 0.00 O ATOM 1760 CB TYR A 109 29.417 -4.921 9.101 1.00 0.00 C ATOM 1761 CG TYR A 109 30.079 -3.775 8.395 1.00 0.00 C ATOM 1762 CD1 TYR A 109 31.243 -3.147 8.965 1.00 0.00 C ATOM 1763 CD2 TYR A 109 29.554 -3.292 7.144 1.00 0.00 C ATOM 1764 CE1 TYR A 109 31.879 -2.047 8.290 1.00 0.00 C ATOM 1765 CE2 TYR A 109 30.187 -2.192 6.466 1.00 0.00 C ATOM 1766 CZ TYR A 109 31.350 -1.570 7.040 1.00 0.00 C ATOM 1767 OH TYR A 109 31.959 -0.515 6.392 1.00 0.00 O ATOM 0 H TYR A 109 29.516 -7.407 10.357 1.00 0.00 H new ATOM 0 HA TYR A 109 29.861 -6.372 7.586 1.00 0.00 H new ATOM 0 HB2 TYR A 109 28.347 -4.908 8.896 1.00 0.00 H new ATOM 0 HB3 TYR A 109 29.536 -4.805 10.178 1.00 0.00 H new ATOM 0 HD1 TYR A 109 31.640 -3.504 9.904 1.00 0.00 H new ATOM 0 HD2 TYR A 109 28.680 -3.758 6.712 1.00 0.00 H new ATOM 0 HE1 TYR A 109 32.752 -1.580 8.721 1.00 0.00 H new ATOM 0 HE2 TYR A 109 29.790 -1.834 5.528 1.00 0.00 H new ATOM 0 HH TYR A 109 31.477 -0.319 5.561 1.00 0.00 H new ATOM 1777 N VAL A 110 32.264 -6.461 7.865 1.00 0.00 N ATOM 1778 CA VAL A 110 33.704 -6.525 8.035 1.00 0.00 C ATOM 1779 C VAL A 110 34.396 -5.921 6.811 1.00 0.00 C ATOM 1780 O VAL A 110 34.185 -6.341 5.680 1.00 0.00 O ATOM 1781 CB VAL A 110 34.138 -7.977 8.225 1.00 0.00 C ATOM 1782 CG1 VAL A 110 33.733 -8.819 7.017 1.00 0.00 C ATOM 1783 CG2 VAL A 110 35.643 -8.068 8.472 1.00 0.00 C ATOM 0 H VAL A 110 31.919 -6.541 6.908 1.00 0.00 H new ATOM 0 HA VAL A 110 33.989 -5.954 8.919 1.00 0.00 H new ATOM 0 HB VAL A 110 33.630 -8.373 9.104 1.00 0.00 H new ATOM 0 HG11 VAL A 110 34.050 -9.851 7.170 1.00 0.00 H new ATOM 0 HG12 VAL A 110 32.650 -8.786 6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 110 34.209 -8.422 6.121 1.00 0.00 H new ATOM 0 HG21 VAL A 110 35.928 -9.112 8.604 1.00 0.00 H new ATOM 0 HG22 VAL A 110 36.178 -7.651 7.618 1.00 0.00 H new ATOM 0 HG23 VAL A 110 35.899 -7.506 9.370 1.00 0.00 H new ATOM 1793 N GLN A 111 35.229 -4.913 7.137 1.00 0.00 N ATOM 1794 CA GLN A 111 35.994 -4.196 6.133 1.00 0.00 C ATOM 1795 C GLN A 111 35.099 -3.674 5.009 1.00 0.00 C ATOM 1796 O GLN A 111 34.105 -4.285 4.635 1.00 0.00 O ATOM 1797 CB GLN A 111 37.133 -5.077 5.612 1.00 0.00 C ATOM 1798 CG GLN A 111 36.645 -6.377 4.973 1.00 0.00 C ATOM 1799 CD GLN A 111 37.822 -7.094 4.308 1.00 0.00 C ATOM 1800 OE1 GLN A 111 38.932 -7.137 4.827 1.00 0.00 O ATOM 1801 NE2 GLN A 111 37.501 -7.645 3.124 1.00 0.00 N ATOM 0 H GLN A 111 35.380 -4.587 8.092 1.00 0.00 H new ATOM 0 HA GLN A 111 36.440 -3.316 6.597 1.00 0.00 H new ATOM 0 HB2 GLN A 111 37.712 -4.515 4.880 1.00 0.00 H new ATOM 0 HB3 GLN A 111 37.806 -5.315 6.436 1.00 0.00 H new ATOM 0 HG2 GLN A 111 36.195 -7.020 5.730 1.00 0.00 H new ATOM 0 HG3 GLN A 111 35.872 -6.164 4.235 1.00 0.00 H new ATOM 0 HE21 GLN A 111 36.550 -7.562 2.764 1.00 0.00 H new ATOM 0 HE22 GLN A 111 38.208 -8.146 2.586 1.00 0.00 H new ATOM 1810 N ALA A 112 35.487 -2.483 4.509 1.00 0.00 N ATOM 1811 CA ALA A 112 36.700 -1.800 4.926 1.00 0.00 C ATOM 1812 C ALA A 112 36.422 -0.975 6.184 1.00 0.00 C ATOM 1813 O ALA A 112 35.335 -0.408 6.286 1.00 0.00 O ATOM 1814 CB ALA A 112 37.185 -0.887 3.800 1.00 0.00 C ATOM 1815 OXT ALA A 112 37.293 -0.913 7.050 1.00 0.00 O ATOM 0 H ALA A 112 34.955 -1.976 3.801 1.00 0.00 H new ATOM 0 HA ALA A 112 37.472 -2.536 5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 112 38.095 -0.375 4.113 1.00 0.00 H new ATOM 0 HB2 ALA A 112 37.392 -1.484 2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 112 36.415 -0.151 3.571 1.00 0.00 H new TER 1821 ALA A 112