USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 984 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: B 41 TYR OH : rot 59:sc= 1.22 USER MOD Set 1.2: B 74 HIS : no HE2:sc= 1.93 K(o=3.1,f=-5.8!) USER MOD Set 2.1: A 24 MET CE :methyl 162:sc= -0.441 (180deg=-0.851) USER MOD Set 2.2: A 27 TYR OH : rot -174:sc= 0.0649 USER MOD Set 2.3: A 60 HIS : no HE2:sc= -1.02 K(o=-1.4,f=-6.3!) USER MOD Single : A 14 THR OG1 : rot -75:sc= 0.865 USER MOD Single : A 16 SER OG : rot 180:sc= 0.137 USER MOD Single : A 21 SER OG : rot 78:sc= 1.13 USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= 2.54 (180deg=2.36) USER MOD Single : A 25 GLN : amide:sc= -0.438 X(o=-0.44,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.659 K(o=0.66,f=-8.6!) USER MOD Single : A 28 THR OG1 : rot 97:sc= 0.589 USER MOD Single : A 30 HIS : no HD1:sc= -0.141 K(o=-0.14,f=-1.7!) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -94:sc= 1.22 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.214 USER MOD Single : A 41 LYS NZ :NH3+ -173:sc= 1.1 (180deg=1.01) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 45 MET CE :methyl 137:sc= -1.58 (180deg=-2.66) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 47 ASN : amide:sc= -0.227 K(o=-0.23,f=-4.2!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.104 K(o=-0.1,f=-2.1) USER MOD Single : A 62 LYS NZ :NH3+ -158:sc= 2.32 (180deg=1.33) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 50:sc= 0.282 USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.21) USER MOD Single : A 74 GLN : amide:sc= -0.0757 K(o=-0.076,f=-2.5!) USER MOD Single : A 76 ASN : amide:sc= 1.24 K(o=1.2,f=0) USER MOD Single : A 77 THR OG1 : rot 68:sc= 0.673 USER MOD Single : B 29 MET CE :methyl -157:sc= -0.544 (180deg=-0.888) USER MOD Single : B 30 SER OG : rot -106:sc= 0.991 USER MOD Single : B 47 HIS : no HD1:sc=-0.00793 X(o=-0.0079,f=-0.3) USER MOD Single : B 48 ASN : amide:sc= 0.00862 K(o=0.0086,f=-3.2!) USER MOD Single : B 57 SER OG : rot 51:sc= 1.09 USER MOD Single : B 60 THR OG1 : rot 180:sc= -0.0611 USER MOD Single : B 70 GLN : amide:sc= 1.1 K(o=1.1,f=-0.75) USER MOD Single : B 75 LYS NZ :NH3+ 156:sc= 1.24 (180deg=1.07) USER MOD Single : B 81 THR OG1 : rot 85:sc= -0.175! USER MOD Single : B 83 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : B 85 SER OG : rot 73:sc= 2.03 USER MOD Single : B 86 LYS NZ :NH3+ -128:sc= 1.05 (180deg=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -14.664 -6.343 9.084 1.00 0.00 N ATOM 2 CA THR A 14 -15.169 -4.957 9.139 1.00 0.00 C ATOM 3 C THR A 14 -14.319 -4.052 8.257 1.00 0.00 C ATOM 4 O THR A 14 -13.252 -4.460 7.789 1.00 0.00 O ATOM 5 CB THR A 14 -15.154 -4.410 10.582 1.00 0.00 C ATOM 6 OG1 THR A 14 -13.819 -4.438 11.101 1.00 0.00 O ATOM 7 CG2 THR A 14 -16.068 -5.222 11.488 1.00 0.00 C ATOM 0 HA THR A 14 -16.198 -4.968 8.779 1.00 0.00 H new ATOM 0 HB THR A 14 -15.518 -3.383 10.556 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.574 -5.360 11.324 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.036 -4.813 12.498 1.00 0.00 H new ATOM 0 HG22 THR A 14 -17.089 -5.176 11.110 1.00 0.00 H new ATOM 0 HG23 THR A 14 -15.734 -6.259 11.506 1.00 0.00 H new ATOM 15 N VAL A 15 -14.792 -2.830 8.033 1.00 0.00 N ATOM 16 CA VAL A 15 -14.079 -1.860 7.202 1.00 0.00 C ATOM 17 C VAL A 15 -12.690 -1.570 7.763 1.00 0.00 C ATOM 18 O VAL A 15 -11.701 -1.595 7.036 1.00 0.00 O ATOM 19 CB VAL A 15 -14.855 -0.532 7.087 1.00 0.00 C ATOM 20 CG1 VAL A 15 -14.501 0.191 5.795 1.00 0.00 C ATOM 21 CG2 VAL A 15 -16.353 -0.775 7.178 1.00 0.00 C ATOM 0 H VAL A 15 -15.671 -2.484 8.417 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.987 -2.306 6.212 1.00 0.00 H new ATOM 0 HB VAL A 15 -14.563 0.106 7.921 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.060 1.125 5.736 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -13.433 0.406 5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.756 -0.440 4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -16.881 0.175 7.095 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -16.664 -1.436 6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -16.589 -1.239 8.136 1.00 0.00 H new ATOM 31 N SER A 16 -12.628 -1.319 9.064 1.00 0.00 N ATOM 32 CA SER A 16 -11.376 -1.016 9.744 1.00 0.00 C ATOM 33 C SER A 16 -10.352 -2.139 9.581 1.00 0.00 C ATOM 34 O SER A 16 -9.187 -1.880 9.291 1.00 0.00 O ATOM 35 CB SER A 16 -11.663 -0.775 11.219 1.00 0.00 C ATOM 36 OG SER A 16 -13.044 -0.520 11.415 1.00 0.00 O ATOM 0 H SER A 16 -13.443 -1.320 9.677 1.00 0.00 H new ATOM 0 HA SER A 16 -10.945 -0.122 9.293 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.360 -1.644 11.802 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.075 0.070 11.578 1.00 0.00 H new ATOM 0 HG SER A 16 -13.217 -0.368 12.368 1.00 0.00 H new ATOM 42 N GLU A 17 -10.790 -3.384 9.760 1.00 0.00 N ATOM 43 CA GLU A 17 -9.896 -4.532 9.623 1.00 0.00 C ATOM 44 C GLU A 17 -9.353 -4.612 8.202 1.00 0.00 C ATOM 45 O GLU A 17 -8.186 -4.946 7.985 1.00 0.00 O ATOM 46 CB GLU A 17 -10.626 -5.829 9.980 1.00 0.00 C ATOM 47 CG GLU A 17 -10.996 -5.937 11.449 1.00 0.00 C ATOM 48 CD GLU A 17 -11.988 -7.048 11.712 1.00 0.00 C ATOM 49 OE1 GLU A 17 -13.105 -6.989 11.156 1.00 0.00 O ATOM 50 OE2 GLU A 17 -11.656 -7.987 12.466 1.00 0.00 O ATOM 0 H GLU A 17 -11.753 -3.623 9.999 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.062 -4.402 10.313 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.533 -5.902 9.380 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.996 -6.676 9.710 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.095 -6.112 12.036 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.417 -4.990 11.786 1.00 0.00 H new ATOM 57 N TRP A 18 -10.206 -4.277 7.244 1.00 0.00 N ATOM 58 CA TRP A 18 -9.834 -4.288 5.838 1.00 0.00 C ATOM 59 C TRP A 18 -8.816 -3.187 5.564 1.00 0.00 C ATOM 60 O TRP A 18 -7.784 -3.415 4.925 1.00 0.00 O ATOM 61 CB TRP A 18 -11.086 -4.094 4.975 1.00 0.00 C ATOM 62 CG TRP A 18 -10.820 -4.088 3.504 1.00 0.00 C ATOM 63 CD1 TRP A 18 -10.510 -5.164 2.724 1.00 0.00 C ATOM 64 CD2 TRP A 18 -10.851 -2.953 2.632 1.00 0.00 C ATOM 65 NE1 TRP A 18 -10.340 -4.766 1.421 1.00 0.00 N ATOM 66 CE2 TRP A 18 -10.544 -3.412 1.339 1.00 0.00 C ATOM 67 CE3 TRP A 18 -11.107 -1.591 2.820 1.00 0.00 C ATOM 68 CZ2 TRP A 18 -10.486 -2.559 0.240 1.00 0.00 C ATOM 69 CZ3 TRP A 18 -11.050 -0.747 1.728 1.00 0.00 C ATOM 70 CH2 TRP A 18 -10.741 -1.233 0.453 1.00 0.00 C ATOM 0 H TRP A 18 -11.170 -3.992 7.419 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.381 -5.247 5.587 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -11.797 -4.889 5.201 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -11.562 -3.153 5.251 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -10.413 -6.179 3.079 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -10.101 -5.378 0.641 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -11.345 -1.206 3.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -10.248 -2.932 -0.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -11.247 0.306 1.861 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -10.703 -0.547 -0.380 1.00 0.00 H new ATOM 81 N LEU A 19 -9.103 -1.999 6.084 1.00 0.00 N ATOM 82 CA LEU A 19 -8.224 -0.846 5.916 1.00 0.00 C ATOM 83 C LEU A 19 -6.887 -1.077 6.612 1.00 0.00 C ATOM 84 O LEU A 19 -5.842 -0.660 6.114 1.00 0.00 O ATOM 85 CB LEU A 19 -8.897 0.424 6.446 1.00 0.00 C ATOM 86 CG LEU A 19 -10.036 0.954 5.574 1.00 0.00 C ATOM 87 CD1 LEU A 19 -10.965 1.838 6.384 1.00 0.00 C ATOM 88 CD2 LEU A 19 -9.481 1.719 4.381 1.00 0.00 C ATOM 0 H LEU A 19 -9.944 -1.808 6.629 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.033 -0.715 4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.285 0.224 7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.142 1.204 6.548 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.608 0.103 5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.768 2.204 5.744 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.390 1.262 7.206 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.406 2.684 6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.305 2.089 3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.884 2.560 4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.856 1.056 3.783 1.00 0.00 H new ATOM 100 N GLU A 20 -6.923 -1.734 7.766 1.00 0.00 N ATOM 101 CA GLU A 20 -5.708 -2.049 8.501 1.00 0.00 C ATOM 102 C GLU A 20 -4.816 -2.982 7.668 1.00 0.00 C ATOM 103 O GLU A 20 -3.600 -2.801 7.604 1.00 0.00 O ATOM 104 CB GLU A 20 -6.054 -2.697 9.852 1.00 0.00 C ATOM 105 CG GLU A 20 -4.891 -3.424 10.517 1.00 0.00 C ATOM 106 CD GLU A 20 -3.788 -2.486 10.971 1.00 0.00 C ATOM 107 OE1 GLU A 20 -4.103 -1.495 11.660 1.00 0.00 O ATOM 108 OE2 GLU A 20 -2.603 -2.760 10.665 1.00 0.00 O ATOM 0 H GLU A 20 -7.782 -2.058 8.211 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.162 -1.125 8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.419 -1.925 10.529 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.871 -3.403 9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.262 -3.982 11.376 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.477 -4.152 9.819 1.00 0.00 H new ATOM 115 N SER A 21 -5.441 -3.952 6.995 1.00 0.00 N ATOM 116 CA SER A 21 -4.720 -4.923 6.164 1.00 0.00 C ATOM 117 C SER A 21 -3.853 -4.257 5.101 1.00 0.00 C ATOM 118 O SER A 21 -2.716 -4.671 4.870 1.00 0.00 O ATOM 119 CB SER A 21 -5.707 -5.888 5.499 1.00 0.00 C ATOM 120 OG SER A 21 -6.622 -6.422 6.446 1.00 0.00 O ATOM 0 H SER A 21 -6.452 -4.087 7.009 1.00 0.00 H new ATOM 0 HA SER A 21 -4.054 -5.474 6.828 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.255 -5.368 4.714 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.159 -6.700 5.021 1.00 0.00 H new ATOM 0 HG SER A 21 -7.308 -5.753 6.651 1.00 0.00 H new ATOM 126 N ILE A 22 -4.374 -3.230 4.449 1.00 0.00 N ATOM 127 CA ILE A 22 -3.616 -2.533 3.432 1.00 0.00 C ATOM 128 C ILE A 22 -2.833 -1.379 4.034 1.00 0.00 C ATOM 129 O ILE A 22 -2.120 -0.670 3.331 1.00 0.00 O ATOM 130 CB ILE A 22 -4.524 -2.044 2.301 1.00 0.00 C ATOM 131 CG1 ILE A 22 -5.823 -1.418 2.838 1.00 0.00 C ATOM 132 CG2 ILE A 22 -4.839 -3.228 1.423 1.00 0.00 C ATOM 133 CD1 ILE A 22 -6.806 -1.049 1.750 1.00 0.00 C ATOM 0 H ILE A 22 -5.313 -2.865 4.607 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.904 -3.240 3.006 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.011 -1.265 1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.298 -2.118 3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.577 -0.525 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.486 -2.912 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.914 -3.636 1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.345 -3.993 2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.699 -0.613 2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.348 -0.325 1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.081 -1.943 1.190 1.00 0.00 H new ATOM 145 N LYS A 23 -2.995 -1.205 5.350 1.00 0.00 N ATOM 146 CA LYS A 23 -2.300 -0.160 6.105 1.00 0.00 C ATOM 147 C LYS A 23 -2.786 1.232 5.714 1.00 0.00 C ATOM 148 O LYS A 23 -2.082 2.226 5.875 1.00 0.00 O ATOM 149 CB LYS A 23 -0.787 -0.296 5.917 1.00 0.00 C ATOM 150 CG LYS A 23 -0.194 -1.482 6.663 1.00 0.00 C ATOM 151 CD LYS A 23 -0.367 -1.340 8.167 1.00 0.00 C ATOM 152 CE LYS A 23 0.370 -2.433 8.921 1.00 0.00 C ATOM 153 NZ LYS A 23 0.131 -2.351 10.388 1.00 0.00 N ATOM 0 H LYS A 23 -3.611 -1.785 5.920 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.531 -0.290 7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.567 -0.397 4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.302 0.619 6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.673 -2.401 6.326 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.866 -1.569 6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.002 -0.365 8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.427 -1.377 8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.048 -3.408 8.554 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.439 -2.354 8.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.777 -2.999 10.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.301 -1.378 10.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.853 -2.618 10.595 1.00 0.00 H new ATOM 167 N MET A 24 -4.022 1.295 5.244 1.00 0.00 N ATOM 168 CA MET A 24 -4.629 2.555 4.836 1.00 0.00 C ATOM 169 C MET A 24 -5.602 3.004 5.912 1.00 0.00 C ATOM 170 O MET A 24 -6.617 3.640 5.632 1.00 0.00 O ATOM 171 CB MET A 24 -5.361 2.390 3.498 1.00 0.00 C ATOM 172 CG MET A 24 -4.464 1.955 2.346 1.00 0.00 C ATOM 173 SD MET A 24 -3.307 3.242 1.837 1.00 0.00 S ATOM 174 CE MET A 24 -1.771 2.578 2.479 1.00 0.00 C ATOM 0 H MET A 24 -4.629 0.483 5.135 1.00 0.00 H new ATOM 0 HA MET A 24 -3.850 3.307 4.707 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.158 1.656 3.620 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.836 3.336 3.237 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.905 1.067 2.642 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.084 1.673 1.495 1.00 0.00 H new ATOM 0 HE1 MET A 24 -0.930 3.068 1.989 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.719 2.755 3.553 1.00 0.00 H new ATOM 0 HE3 MET A 24 -1.729 1.506 2.286 1.00 0.00 H new ATOM 184 N GLN A 25 -5.275 2.658 7.150 1.00 0.00 N ATOM 185 CA GLN A 25 -6.104 2.978 8.305 1.00 0.00 C ATOM 186 C GLN A 25 -6.459 4.464 8.403 1.00 0.00 C ATOM 187 O GLN A 25 -7.570 4.802 8.812 1.00 0.00 O ATOM 188 CB GLN A 25 -5.424 2.521 9.597 1.00 0.00 C ATOM 189 CG GLN A 25 -4.004 3.038 9.767 1.00 0.00 C ATOM 190 CD GLN A 25 -3.507 2.903 11.192 1.00 0.00 C ATOM 191 OE1 GLN A 25 -2.727 3.730 11.670 1.00 0.00 O ATOM 192 NE2 GLN A 25 -3.947 1.859 11.878 1.00 0.00 N ATOM 0 H GLN A 25 -4.424 2.146 7.382 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.040 2.436 8.166 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.023 2.850 10.446 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.408 1.431 9.621 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.339 2.490 9.100 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.963 4.086 9.469 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.592 1.199 11.444 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.641 1.715 12.840 1.00 0.00 H new ATOM 201 N GLN A 26 -5.556 5.366 8.021 1.00 0.00 N ATOM 202 CA GLN A 26 -5.829 6.795 8.099 1.00 0.00 C ATOM 203 C GLN A 26 -6.798 7.258 7.019 1.00 0.00 C ATOM 204 O GLN A 26 -7.199 8.421 6.986 1.00 0.00 O ATOM 205 CB GLN A 26 -4.518 7.591 7.984 1.00 0.00 C ATOM 206 CG GLN A 26 -3.714 7.315 6.713 1.00 0.00 C ATOM 207 CD GLN A 26 -2.689 6.202 6.881 1.00 0.00 C ATOM 208 OE1 GLN A 26 -2.887 5.280 7.667 1.00 0.00 O ATOM 209 NE2 GLN A 26 -1.592 6.281 6.140 1.00 0.00 N ATOM 0 H GLN A 26 -4.633 5.131 7.656 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.295 6.979 9.067 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.750 8.655 8.027 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.894 7.365 8.849 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.399 7.050 5.908 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.202 8.228 6.409 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.465 7.064 5.498 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.875 5.559 6.212 1.00 0.00 H new ATOM 218 N TYR A 27 -7.173 6.355 6.129 1.00 0.00 N ATOM 219 CA TYR A 27 -8.089 6.702 5.063 1.00 0.00 C ATOM 220 C TYR A 27 -9.527 6.403 5.469 1.00 0.00 C ATOM 221 O TYR A 27 -10.458 6.612 4.692 1.00 0.00 O ATOM 222 CB TYR A 27 -7.707 5.983 3.768 1.00 0.00 C ATOM 223 CG TYR A 27 -6.479 6.576 3.100 1.00 0.00 C ATOM 224 CD1 TYR A 27 -6.593 7.651 2.226 1.00 0.00 C ATOM 225 CD2 TYR A 27 -5.210 6.069 3.350 1.00 0.00 C ATOM 226 CE1 TYR A 27 -5.477 8.201 1.620 1.00 0.00 C ATOM 227 CE2 TYR A 27 -4.090 6.615 2.746 1.00 0.00 C ATOM 228 CZ TYR A 27 -4.231 7.680 1.884 1.00 0.00 C ATOM 229 OH TYR A 27 -3.119 8.225 1.283 1.00 0.00 O ATOM 0 H TYR A 27 -6.859 5.385 6.125 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.017 7.774 4.878 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.524 4.930 3.984 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.547 6.025 3.074 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.569 8.064 2.016 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.095 5.235 4.027 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.584 9.036 0.943 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.111 6.208 2.950 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.331 7.684 1.500 1.00 0.00 H new ATOM 239 N THR A 28 -9.707 5.923 6.699 1.00 0.00 N ATOM 240 CA THR A 28 -11.047 5.640 7.207 1.00 0.00 C ATOM 241 C THR A 28 -11.852 6.931 7.246 1.00 0.00 C ATOM 242 O THR A 28 -13.064 6.942 7.007 1.00 0.00 O ATOM 243 CB THR A 28 -11.011 5.030 8.623 1.00 0.00 C ATOM 244 OG1 THR A 28 -10.069 3.956 8.669 1.00 0.00 O ATOM 245 CG2 THR A 28 -12.392 4.525 9.013 1.00 0.00 C ATOM 0 H THR A 28 -8.951 5.724 7.355 1.00 0.00 H new ATOM 0 HA THR A 28 -11.509 4.914 6.538 1.00 0.00 H new ATOM 0 HB THR A 28 -10.706 5.802 9.330 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.214 4.285 9.018 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.353 4.097 10.015 1.00 0.00 H new ATOM 0 HG22 THR A 28 -13.100 5.354 9.000 1.00 0.00 H new ATOM 0 HG23 THR A 28 -12.714 3.762 8.304 1.00 0.00 H new ATOM 253 N GLU A 29 -11.149 8.027 7.502 1.00 0.00 N ATOM 254 CA GLU A 29 -11.743 9.348 7.560 1.00 0.00 C ATOM 255 C GLU A 29 -11.844 9.907 6.144 1.00 0.00 C ATOM 256 O GLU A 29 -11.520 11.062 5.885 1.00 0.00 O ATOM 257 CB GLU A 29 -10.891 10.256 8.450 1.00 0.00 C ATOM 258 CG GLU A 29 -10.773 9.748 9.880 1.00 0.00 C ATOM 259 CD GLU A 29 -9.596 10.346 10.622 1.00 0.00 C ATOM 260 OE1 GLU A 29 -9.587 11.575 10.844 1.00 0.00 O ATOM 261 OE2 GLU A 29 -8.675 9.586 10.991 1.00 0.00 O ATOM 0 H GLU A 29 -10.144 8.020 7.676 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.743 9.294 7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.894 10.346 8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.325 11.256 8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.692 9.979 10.419 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.675 8.662 9.868 1.00 0.00 H new ATOM 268 N HIS A 30 -12.333 9.055 5.252 1.00 0.00 N ATOM 269 CA HIS A 30 -12.477 9.375 3.834 1.00 0.00 C ATOM 270 C HIS A 30 -13.574 8.497 3.251 1.00 0.00 C ATOM 271 O HIS A 30 -14.559 8.989 2.702 1.00 0.00 O ATOM 272 CB HIS A 30 -11.166 9.124 3.070 1.00 0.00 C ATOM 273 CG HIS A 30 -10.109 10.167 3.276 1.00 0.00 C ATOM 274 ND1 HIS A 30 -9.080 10.048 4.187 1.00 0.00 N ATOM 275 CD2 HIS A 30 -9.916 11.357 2.652 1.00 0.00 C ATOM 276 CE1 HIS A 30 -8.310 11.137 4.085 1.00 0.00 C ATOM 277 NE2 HIS A 30 -8.772 11.964 3.167 1.00 0.00 N ATOM 0 H HIS A 30 -12.644 8.114 5.493 1.00 0.00 H new ATOM 0 HA HIS A 30 -12.730 10.431 3.734 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -10.765 8.156 3.372 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -11.389 9.058 2.005 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.549 11.768 1.879 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.425 11.316 4.677 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -8.374 12.862 2.891 1.00 0.00 H new ATOM 285 N PHE A 31 -13.400 7.184 3.407 1.00 0.00 N ATOM 286 CA PHE A 31 -14.369 6.203 2.918 1.00 0.00 C ATOM 287 C PHE A 31 -15.730 6.439 3.562 1.00 0.00 C ATOM 288 O PHE A 31 -16.758 6.463 2.885 1.00 0.00 O ATOM 289 CB PHE A 31 -13.914 4.776 3.253 1.00 0.00 C ATOM 290 CG PHE A 31 -12.809 4.232 2.388 1.00 0.00 C ATOM 291 CD1 PHE A 31 -11.517 4.722 2.485 1.00 0.00 C ATOM 292 CD2 PHE A 31 -13.066 3.206 1.491 1.00 0.00 C ATOM 293 CE1 PHE A 31 -10.502 4.201 1.702 1.00 0.00 C ATOM 294 CE2 PHE A 31 -12.055 2.685 0.705 1.00 0.00 C ATOM 295 CZ PHE A 31 -10.772 3.182 0.811 1.00 0.00 C ATOM 0 H PHE A 31 -12.590 6.773 3.872 1.00 0.00 H new ATOM 0 HA PHE A 31 -14.442 6.319 1.837 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -13.585 4.752 4.292 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -14.774 4.111 3.176 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.299 5.520 3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -14.067 2.810 1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.499 4.592 1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -12.269 1.889 0.008 1.00 0.00 H new ATOM 0 HZ PHE A 31 -9.981 2.775 0.198 1.00 0.00 H new ATOM 305 N MET A 32 -15.704 6.644 4.872 1.00 0.00 N ATOM 306 CA MET A 32 -16.918 6.857 5.654 1.00 0.00 C ATOM 307 C MET A 32 -17.651 8.131 5.235 1.00 0.00 C ATOM 308 O MET A 32 -18.880 8.178 5.257 1.00 0.00 O ATOM 309 CB MET A 32 -16.582 6.916 7.149 1.00 0.00 C ATOM 310 CG MET A 32 -16.045 5.606 7.710 1.00 0.00 C ATOM 311 SD MET A 32 -17.320 4.341 7.883 1.00 0.00 S ATOM 312 CE MET A 32 -16.329 2.926 8.362 1.00 0.00 C ATOM 0 H MET A 32 -14.845 6.668 5.422 1.00 0.00 H new ATOM 0 HA MET A 32 -17.581 6.014 5.462 1.00 0.00 H new ATOM 0 HB2 MET A 32 -15.845 7.701 7.315 1.00 0.00 H new ATOM 0 HB3 MET A 32 -17.478 7.197 7.702 1.00 0.00 H new ATOM 0 HG2 MET A 32 -15.256 5.233 7.056 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.591 5.792 8.683 1.00 0.00 H new ATOM 0 HE1 MET A 32 -16.976 2.061 8.507 1.00 0.00 H new ATOM 0 HE2 MET A 32 -15.603 2.709 7.579 1.00 0.00 H new ATOM 0 HE3 MET A 32 -15.805 3.147 9.292 1.00 0.00 H new ATOM 322 N ALA A 33 -16.906 9.153 4.827 1.00 0.00 N ATOM 323 CA ALA A 33 -17.508 10.418 4.427 1.00 0.00 C ATOM 324 C ALA A 33 -17.997 10.373 2.982 1.00 0.00 C ATOM 325 O ALA A 33 -18.813 11.196 2.569 1.00 0.00 O ATOM 326 CB ALA A 33 -16.507 11.551 4.609 1.00 0.00 C ATOM 0 H ALA A 33 -15.888 9.130 4.765 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.374 10.595 5.065 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -16.965 12.493 4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.211 11.610 5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -15.628 11.362 3.993 1.00 0.00 H new ATOM 332 N ALA A 34 -17.504 9.407 2.220 1.00 0.00 N ATOM 333 CA ALA A 34 -17.889 9.262 0.821 1.00 0.00 C ATOM 334 C ALA A 34 -19.139 8.403 0.675 1.00 0.00 C ATOM 335 O ALA A 34 -19.594 8.139 -0.436 1.00 0.00 O ATOM 336 CB ALA A 34 -16.746 8.665 0.019 1.00 0.00 C ATOM 0 H ALA A 34 -16.835 8.710 2.547 1.00 0.00 H new ATOM 0 HA ALA A 34 -18.116 10.255 0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -17.048 8.562 -1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -15.876 9.319 0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -16.492 7.684 0.421 1.00 0.00 H new ATOM 342 N GLY A 35 -19.676 7.952 1.799 1.00 0.00 N ATOM 343 CA GLY A 35 -20.873 7.135 1.767 1.00 0.00 C ATOM 344 C GLY A 35 -20.563 5.654 1.735 1.00 0.00 C ATOM 345 O GLY A 35 -21.460 4.819 1.865 1.00 0.00 O ATOM 0 H GLY A 35 -19.306 8.136 2.731 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -21.484 7.356 2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -21.465 7.398 0.891 1.00 0.00 H new ATOM 349 N TYR A 36 -19.294 5.320 1.571 1.00 0.00 N ATOM 350 CA TYR A 36 -18.877 3.931 1.528 1.00 0.00 C ATOM 351 C TYR A 36 -18.497 3.475 2.926 1.00 0.00 C ATOM 352 O TYR A 36 -17.325 3.264 3.233 1.00 0.00 O ATOM 353 CB TYR A 36 -17.704 3.753 0.559 1.00 0.00 C ATOM 354 CG TYR A 36 -18.063 4.043 -0.883 1.00 0.00 C ATOM 355 CD1 TYR A 36 -19.011 3.277 -1.543 1.00 0.00 C ATOM 356 CD2 TYR A 36 -17.453 5.078 -1.585 1.00 0.00 C ATOM 357 CE1 TYR A 36 -19.345 3.527 -2.860 1.00 0.00 C ATOM 358 CE2 TYR A 36 -17.783 5.337 -2.905 1.00 0.00 C ATOM 359 CZ TYR A 36 -18.730 4.557 -3.538 1.00 0.00 C ATOM 360 OH TYR A 36 -19.062 4.804 -4.852 1.00 0.00 O ATOM 0 H TYR A 36 -18.535 5.993 1.465 1.00 0.00 H new ATOM 0 HA TYR A 36 -19.703 3.318 1.168 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -16.890 4.411 0.862 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -17.333 2.731 0.634 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -19.498 2.469 -1.017 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -16.711 5.689 -1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -20.085 2.917 -3.356 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -17.302 6.145 -3.436 1.00 0.00 H new ATOM 0 HH TYR A 36 -18.436 4.335 -5.442 1.00 0.00 H new ATOM 370 N THR A 37 -19.505 3.353 3.776 1.00 0.00 N ATOM 371 CA THR A 37 -19.301 2.942 5.148 1.00 0.00 C ATOM 372 C THR A 37 -19.187 1.426 5.259 1.00 0.00 C ATOM 373 O THR A 37 -18.096 0.890 5.425 1.00 0.00 O ATOM 374 CB THR A 37 -20.448 3.452 6.040 1.00 0.00 C ATOM 375 OG1 THR A 37 -21.715 3.193 5.410 1.00 0.00 O ATOM 376 CG2 THR A 37 -20.307 4.945 6.292 1.00 0.00 C ATOM 0 H THR A 37 -20.479 3.536 3.533 1.00 0.00 H new ATOM 0 HA THR A 37 -18.364 3.380 5.490 1.00 0.00 H new ATOM 0 HB THR A 37 -20.400 2.925 6.993 1.00 0.00 H new ATOM 0 HG1 THR A 37 -22.439 3.519 5.985 1.00 0.00 H new ATOM 0 HG21 THR A 37 -21.127 5.286 6.924 1.00 0.00 H new ATOM 0 HG22 THR A 37 -19.358 5.142 6.791 1.00 0.00 H new ATOM 0 HG23 THR A 37 -20.335 5.479 5.342 1.00 0.00 H new ATOM 384 N ALA A 38 -20.317 0.740 5.149 1.00 0.00 N ATOM 385 CA ALA A 38 -20.344 -0.712 5.249 1.00 0.00 C ATOM 386 C ALA A 38 -19.669 -1.368 4.043 1.00 0.00 C ATOM 387 O ALA A 38 -19.653 -0.808 2.942 1.00 0.00 O ATOM 388 CB ALA A 38 -21.771 -1.203 5.405 1.00 0.00 C ATOM 0 H ALA A 38 -21.229 1.168 4.990 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.779 -1.000 6.135 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -21.776 -2.291 5.479 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -22.206 -0.776 6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -22.358 -0.895 4.540 1.00 0.00 H new ATOM 394 N ILE A 39 -19.150 -2.572 4.262 1.00 0.00 N ATOM 395 CA ILE A 39 -18.428 -3.329 3.239 1.00 0.00 C ATOM 396 C ILE A 39 -19.232 -3.527 1.950 1.00 0.00 C ATOM 397 O ILE A 39 -18.671 -3.439 0.856 1.00 0.00 O ATOM 398 CB ILE A 39 -17.980 -4.705 3.790 1.00 0.00 C ATOM 399 CG1 ILE A 39 -16.933 -4.515 4.895 1.00 0.00 C ATOM 400 CG2 ILE A 39 -17.427 -5.593 2.679 1.00 0.00 C ATOM 401 CD1 ILE A 39 -15.628 -3.914 4.410 1.00 0.00 C ATOM 0 H ILE A 39 -19.218 -3.055 5.158 1.00 0.00 H new ATOM 0 HA ILE A 39 -17.555 -2.729 2.983 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.854 -5.203 4.210 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.351 -3.873 5.671 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -16.727 -5.481 5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.121 -6.552 3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.198 -5.755 1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.567 -5.107 2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.940 -3.811 5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.186 -4.565 3.656 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -15.819 -2.933 3.975 1.00 0.00 H new ATOM 413 N GLU A 40 -20.539 -3.763 2.063 1.00 0.00 N ATOM 414 CA GLU A 40 -21.376 -3.978 0.877 1.00 0.00 C ATOM 415 C GLU A 40 -21.327 -2.771 -0.048 1.00 0.00 C ATOM 416 O GLU A 40 -21.456 -2.904 -1.260 1.00 0.00 O ATOM 417 CB GLU A 40 -22.836 -4.262 1.249 1.00 0.00 C ATOM 418 CG GLU A 40 -23.019 -5.021 2.549 1.00 0.00 C ATOM 419 CD GLU A 40 -22.974 -4.105 3.747 1.00 0.00 C ATOM 420 OE1 GLU A 40 -23.617 -3.038 3.700 1.00 0.00 O ATOM 421 OE2 GLU A 40 -22.278 -4.439 4.724 1.00 0.00 O ATOM 0 H GLU A 40 -21.039 -3.810 2.951 1.00 0.00 H new ATOM 0 HA GLU A 40 -20.971 -4.851 0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -23.371 -3.315 1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -23.299 -4.831 0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -23.973 -5.548 2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -22.239 -5.777 2.641 1.00 0.00 H new ATOM 428 N LYS A 41 -21.145 -1.593 0.529 1.00 0.00 N ATOM 429 CA LYS A 41 -21.069 -0.372 -0.253 1.00 0.00 C ATOM 430 C LYS A 41 -19.655 -0.185 -0.780 1.00 0.00 C ATOM 431 O LYS A 41 -19.454 0.283 -1.899 1.00 0.00 O ATOM 432 CB LYS A 41 -21.495 0.837 0.585 1.00 0.00 C ATOM 433 CG LYS A 41 -22.990 1.124 0.531 1.00 0.00 C ATOM 434 CD LYS A 41 -23.804 0.052 1.245 1.00 0.00 C ATOM 435 CE LYS A 41 -23.860 0.294 2.746 1.00 0.00 C ATOM 436 NZ LYS A 41 -24.728 -0.698 3.439 1.00 0.00 N ATOM 0 H LYS A 41 -21.047 -1.458 1.535 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.754 -0.454 -1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -21.203 0.670 1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -20.952 1.717 0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.189 2.094 0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -23.309 1.189 -0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -24.816 0.035 0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -23.366 -0.927 1.050 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -22.852 0.245 3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -24.234 1.300 2.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -24.834 -0.428 4.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -25.663 -0.718 2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -24.294 -1.641 3.379 1.00 0.00 H new ATOM 450 N VAL A 42 -18.679 -0.583 0.028 1.00 0.00 N ATOM 451 CA VAL A 42 -17.273 -0.474 -0.345 1.00 0.00 C ATOM 452 C VAL A 42 -16.979 -1.290 -1.604 1.00 0.00 C ATOM 453 O VAL A 42 -16.248 -0.846 -2.484 1.00 0.00 O ATOM 454 CB VAL A 42 -16.350 -0.941 0.806 1.00 0.00 C ATOM 455 CG1 VAL A 42 -14.885 -0.897 0.392 1.00 0.00 C ATOM 456 CG2 VAL A 42 -16.575 -0.092 2.049 1.00 0.00 C ATOM 0 H VAL A 42 -18.837 -0.987 0.951 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.071 0.578 -0.548 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.603 -1.976 1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.262 -1.231 1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.729 -1.552 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.614 0.124 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.917 -0.435 2.848 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.356 0.951 1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.613 -0.183 2.369 1.00 0.00 H new ATOM 466 N VAL A 43 -17.579 -2.471 -1.705 1.00 0.00 N ATOM 467 CA VAL A 43 -17.363 -3.332 -2.866 1.00 0.00 C ATOM 468 C VAL A 43 -18.122 -2.825 -4.093 1.00 0.00 C ATOM 469 O VAL A 43 -17.889 -3.290 -5.210 1.00 0.00 O ATOM 470 CB VAL A 43 -17.767 -4.797 -2.586 1.00 0.00 C ATOM 471 CG1 VAL A 43 -17.019 -5.337 -1.378 1.00 0.00 C ATOM 472 CG2 VAL A 43 -19.269 -4.925 -2.387 1.00 0.00 C ATOM 0 H VAL A 43 -18.214 -2.853 -1.004 1.00 0.00 H new ATOM 0 HA VAL A 43 -16.293 -3.300 -3.071 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.493 -5.392 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -17.317 -6.370 -1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -15.946 -5.297 -1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -17.256 -4.732 -0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -19.523 -5.967 -2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -19.577 -4.312 -1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -19.785 -4.588 -3.286 1.00 0.00 H new ATOM 482 N GLN A 44 -19.024 -1.871 -3.886 1.00 0.00 N ATOM 483 CA GLN A 44 -19.800 -1.310 -4.986 1.00 0.00 C ATOM 484 C GLN A 44 -19.027 -0.186 -5.661 1.00 0.00 C ATOM 485 O GLN A 44 -19.339 0.210 -6.784 1.00 0.00 O ATOM 486 CB GLN A 44 -21.154 -0.794 -4.496 1.00 0.00 C ATOM 487 CG GLN A 44 -22.111 -1.897 -4.079 1.00 0.00 C ATOM 488 CD GLN A 44 -23.476 -1.369 -3.684 1.00 0.00 C ATOM 489 OE1 GLN A 44 -23.956 -0.377 -4.230 1.00 0.00 O ATOM 490 NE2 GLN A 44 -24.105 -2.026 -2.723 1.00 0.00 N ATOM 0 H GLN A 44 -19.235 -1.472 -2.971 1.00 0.00 H new ATOM 0 HA GLN A 44 -19.978 -2.104 -5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.994 -0.125 -3.651 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.616 -0.203 -5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -22.223 -2.605 -4.900 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.682 -2.447 -3.241 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -23.671 -2.845 -2.296 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -25.024 -1.714 -2.409 1.00 0.00 H new ATOM 499 N MET A 45 -18.036 0.346 -4.955 1.00 0.00 N ATOM 500 CA MET A 45 -17.202 1.415 -5.493 1.00 0.00 C ATOM 501 C MET A 45 -16.379 0.922 -6.683 1.00 0.00 C ATOM 502 O MET A 45 -16.371 -0.272 -7.003 1.00 0.00 O ATOM 503 CB MET A 45 -16.276 1.983 -4.407 1.00 0.00 C ATOM 504 CG MET A 45 -14.968 1.223 -4.235 1.00 0.00 C ATOM 505 SD MET A 45 -13.794 2.089 -3.174 1.00 0.00 S ATOM 506 CE MET A 45 -14.782 2.334 -1.702 1.00 0.00 C ATOM 0 H MET A 45 -17.790 0.055 -4.009 1.00 0.00 H new ATOM 0 HA MET A 45 -17.863 2.210 -5.838 1.00 0.00 H new ATOM 0 HB2 MET A 45 -16.050 3.022 -4.647 1.00 0.00 H new ATOM 0 HB3 MET A 45 -16.809 1.984 -3.456 1.00 0.00 H new ATOM 0 HG2 MET A 45 -15.177 0.240 -3.813 1.00 0.00 H new ATOM 0 HG3 MET A 45 -14.516 1.060 -5.213 1.00 0.00 H new ATOM 0 HE1 MET A 45 -14.180 2.118 -0.820 1.00 0.00 H new ATOM 0 HE2 MET A 45 -15.126 3.368 -1.662 1.00 0.00 H new ATOM 0 HE3 MET A 45 -15.643 1.666 -1.726 1.00 0.00 H new ATOM 516 N THR A 46 -15.666 1.835 -7.312 1.00 0.00 N ATOM 517 CA THR A 46 -14.847 1.509 -8.461 1.00 0.00 C ATOM 518 C THR A 46 -13.438 2.055 -8.251 1.00 0.00 C ATOM 519 O THR A 46 -13.179 2.741 -7.261 1.00 0.00 O ATOM 520 CB THR A 46 -15.456 2.072 -9.768 1.00 0.00 C ATOM 521 OG1 THR A 46 -14.687 1.648 -10.903 1.00 0.00 O ATOM 522 CG2 THR A 46 -15.521 3.593 -9.736 1.00 0.00 C ATOM 0 H THR A 46 -15.638 2.818 -7.043 1.00 0.00 H new ATOM 0 HA THR A 46 -14.806 0.424 -8.560 1.00 0.00 H new ATOM 0 HB THR A 46 -16.471 1.683 -9.853 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.085 2.010 -11.722 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.953 3.958 -10.668 1.00 0.00 H new ATOM 0 HG22 THR A 46 -16.141 3.913 -8.898 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.516 3.998 -9.619 1.00 0.00 H new ATOM 530 N ASN A 47 -12.537 1.743 -9.169 1.00 0.00 N ATOM 531 CA ASN A 47 -11.154 2.204 -9.083 1.00 0.00 C ATOM 532 C ASN A 47 -11.101 3.725 -9.009 1.00 0.00 C ATOM 533 O ASN A 47 -10.350 4.292 -8.217 1.00 0.00 O ATOM 534 CB ASN A 47 -10.338 1.713 -10.286 1.00 0.00 C ATOM 535 CG ASN A 47 -10.311 0.198 -10.418 1.00 0.00 C ATOM 536 OD1 ASN A 47 -11.311 -0.482 -10.183 1.00 0.00 O ATOM 537 ND2 ASN A 47 -9.163 -0.343 -10.797 1.00 0.00 N ATOM 0 H ASN A 47 -12.737 1.169 -9.988 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.719 1.789 -8.174 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.754 2.143 -11.198 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.316 2.081 -10.197 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -9.086 -1.355 -10.903 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.356 0.252 -10.983 1.00 0.00 H new ATOM 544 N ASP A 48 -11.901 4.378 -9.846 1.00 0.00 N ATOM 545 CA ASP A 48 -11.970 5.837 -9.879 1.00 0.00 C ATOM 546 C ASP A 48 -12.456 6.405 -8.544 1.00 0.00 C ATOM 547 O ASP A 48 -11.998 7.463 -8.112 1.00 0.00 O ATOM 548 CB ASP A 48 -12.897 6.291 -11.011 1.00 0.00 C ATOM 549 CG ASP A 48 -13.233 7.770 -10.944 1.00 0.00 C ATOM 550 OD1 ASP A 48 -12.373 8.597 -11.312 1.00 0.00 O ATOM 551 OD2 ASP A 48 -14.374 8.107 -10.550 1.00 0.00 O ATOM 0 H ASP A 48 -12.516 3.916 -10.516 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.964 6.217 -10.058 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.425 6.074 -11.969 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.820 5.712 -10.972 1.00 0.00 H new ATOM 556 N ASP A 49 -13.367 5.689 -7.889 1.00 0.00 N ATOM 557 CA ASP A 49 -13.912 6.122 -6.597 1.00 0.00 C ATOM 558 C ASP A 49 -12.798 6.326 -5.585 1.00 0.00 C ATOM 559 O ASP A 49 -12.796 7.304 -4.840 1.00 0.00 O ATOM 560 CB ASP A 49 -14.903 5.099 -6.042 1.00 0.00 C ATOM 561 CG ASP A 49 -16.309 5.286 -6.569 1.00 0.00 C ATOM 562 OD1 ASP A 49 -16.640 6.401 -7.010 1.00 0.00 O ATOM 563 OD2 ASP A 49 -17.086 4.310 -6.537 1.00 0.00 O ATOM 0 H ASP A 49 -13.746 4.805 -8.229 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.431 7.065 -6.766 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.558 4.096 -6.292 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.917 5.169 -4.954 1.00 0.00 H new ATOM 568 N ILE A 50 -11.847 5.417 -5.582 1.00 0.00 N ATOM 569 CA ILE A 50 -10.691 5.469 -4.691 1.00 0.00 C ATOM 570 C ILE A 50 -9.940 6.768 -4.856 1.00 0.00 C ATOM 571 O ILE A 50 -9.353 7.297 -3.916 1.00 0.00 O ATOM 572 CB ILE A 50 -9.749 4.214 -4.895 1.00 0.00 C ATOM 573 CG1 ILE A 50 -10.405 2.842 -4.535 1.00 0.00 C ATOM 574 CG2 ILE A 50 -8.406 4.330 -4.110 1.00 0.00 C ATOM 575 CD1 ILE A 50 -10.899 2.693 -3.081 1.00 0.00 C ATOM 0 H ILE A 50 -11.848 4.608 -6.203 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.056 5.430 -3.664 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.557 4.227 -5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.250 2.678 -5.204 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.682 2.052 -4.736 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.802 3.440 -4.289 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.862 5.212 -4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.614 4.419 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.335 1.704 -2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.059 2.817 -2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.652 3.453 -2.873 1.00 0.00 H new ATOM 587 N LYS A 51 -9.926 7.254 -6.082 1.00 0.00 N ATOM 588 CA LYS A 51 -9.209 8.473 -6.408 1.00 0.00 C ATOM 589 C LYS A 51 -10.064 9.707 -6.144 1.00 0.00 C ATOM 590 O LYS A 51 -9.553 10.823 -6.101 1.00 0.00 O ATOM 591 CB LYS A 51 -8.775 8.442 -7.874 1.00 0.00 C ATOM 592 CG LYS A 51 -8.149 7.116 -8.288 1.00 0.00 C ATOM 593 CD LYS A 51 -7.708 7.128 -9.743 1.00 0.00 C ATOM 594 CE LYS A 51 -6.586 8.124 -9.977 1.00 0.00 C ATOM 595 NZ LYS A 51 -6.174 8.174 -11.400 1.00 0.00 N ATOM 0 H LYS A 51 -10.405 6.822 -6.872 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.329 8.531 -5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.640 8.641 -8.506 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.059 9.245 -8.051 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.291 6.905 -7.650 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.867 6.311 -8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.376 6.131 -10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.557 7.379 -10.379 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.909 9.115 -9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.728 7.855 -9.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.406 8.866 -11.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.841 7.235 -11.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.985 8.456 -11.987 1.00 0.00 H new ATOM 609 N ARG A 52 -11.366 9.509 -5.960 1.00 0.00 N ATOM 610 CA ARG A 52 -12.276 10.615 -5.714 1.00 0.00 C ATOM 611 C ARG A 52 -12.474 10.817 -4.212 1.00 0.00 C ATOM 612 O ARG A 52 -12.695 11.940 -3.749 1.00 0.00 O ATOM 613 CB ARG A 52 -13.620 10.327 -6.400 1.00 0.00 C ATOM 614 CG ARG A 52 -14.705 11.349 -6.094 1.00 0.00 C ATOM 615 CD ARG A 52 -15.886 11.210 -7.045 1.00 0.00 C ATOM 616 NE ARG A 52 -17.072 11.927 -6.562 1.00 0.00 N ATOM 617 CZ ARG A 52 -17.248 13.246 -6.675 1.00 0.00 C ATOM 618 NH1 ARG A 52 -16.315 14.000 -7.247 1.00 0.00 N ATOM 619 NH2 ARG A 52 -18.359 13.810 -6.219 1.00 0.00 N ATOM 0 H ARG A 52 -11.811 8.592 -5.977 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.852 11.531 -6.126 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.465 10.290 -7.478 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.968 9.341 -6.094 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.047 11.222 -5.067 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.291 12.355 -6.170 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.607 11.592 -8.027 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.127 10.154 -7.171 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.808 11.384 -6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.460 13.572 -7.602 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.454 15.007 -7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.080 13.236 -5.782 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.492 14.818 -6.306 1.00 0.00 H new ATOM 633 N ILE A 53 -12.382 9.727 -3.455 1.00 0.00 N ATOM 634 CA ILE A 53 -12.553 9.773 -2.001 1.00 0.00 C ATOM 635 C ILE A 53 -11.321 10.346 -1.299 1.00 0.00 C ATOM 636 O ILE A 53 -11.241 10.347 -0.074 1.00 0.00 O ATOM 637 CB ILE A 53 -12.860 8.372 -1.427 1.00 0.00 C ATOM 638 CG1 ILE A 53 -11.693 7.415 -1.695 1.00 0.00 C ATOM 639 CG2 ILE A 53 -14.153 7.830 -2.028 1.00 0.00 C ATOM 640 CD1 ILE A 53 -11.909 6.015 -1.161 1.00 0.00 C ATOM 0 H ILE A 53 -12.189 8.796 -3.824 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.400 10.433 -1.811 1.00 0.00 H new ATOM 0 HB ILE A 53 -12.989 8.455 -0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.521 7.360 -2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.788 7.828 -1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.359 6.842 -1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -14.976 8.503 -1.787 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -14.049 7.757 -3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.039 5.400 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.050 6.055 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.794 5.581 -1.626 1.00 0.00 H new ATOM 652 N GLY A 54 -10.368 10.824 -2.082 1.00 0.00 N ATOM 653 CA GLY A 54 -9.167 11.394 -1.519 1.00 0.00 C ATOM 654 C GLY A 54 -7.920 10.876 -2.199 1.00 0.00 C ATOM 655 O GLY A 54 -7.369 11.550 -3.068 1.00 0.00 O ATOM 0 H GLY A 54 -10.407 10.827 -3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.204 12.480 -1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.121 11.164 -0.455 1.00 0.00 H new ATOM 659 N VAL A 55 -7.491 9.688 -1.765 1.00 0.00 N ATOM 660 CA VAL A 55 -6.303 8.979 -2.277 1.00 0.00 C ATOM 661 C VAL A 55 -5.898 9.361 -3.701 1.00 0.00 C ATOM 662 O VAL A 55 -6.416 8.821 -4.676 1.00 0.00 O ATOM 663 CB VAL A 55 -6.520 7.453 -2.247 1.00 0.00 C ATOM 664 CG1 VAL A 55 -5.189 6.728 -2.163 1.00 0.00 C ATOM 665 CG2 VAL A 55 -7.431 7.046 -1.099 1.00 0.00 C ATOM 0 H VAL A 55 -7.971 9.173 -1.026 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.498 9.286 -1.609 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.012 7.165 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.361 5.652 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.581 6.982 -3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.667 7.029 -1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.564 5.964 -1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.983 7.351 -0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.400 7.531 -1.214 1.00 0.00 H new ATOM 675 N ARG A 56 -4.955 10.288 -3.815 1.00 0.00 N ATOM 676 CA ARG A 56 -4.462 10.718 -5.115 1.00 0.00 C ATOM 677 C ARG A 56 -3.097 10.101 -5.407 1.00 0.00 C ATOM 678 O ARG A 56 -2.550 10.272 -6.496 1.00 0.00 O ATOM 679 CB ARG A 56 -4.356 12.243 -5.166 1.00 0.00 C ATOM 680 CG ARG A 56 -3.494 12.822 -4.056 1.00 0.00 C ATOM 681 CD ARG A 56 -2.601 13.941 -4.562 1.00 0.00 C ATOM 682 NE ARG A 56 -1.766 14.486 -3.495 1.00 0.00 N ATOM 683 CZ ARG A 56 -0.432 14.504 -3.519 1.00 0.00 C ATOM 684 NH1 ARG A 56 0.232 14.030 -4.571 1.00 0.00 N ATOM 685 NH2 ARG A 56 0.241 15.000 -2.491 1.00 0.00 N ATOM 0 H ARG A 56 -4.517 10.756 -3.022 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.170 10.381 -5.872 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.943 12.540 -6.130 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.356 12.672 -5.102 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.134 13.200 -3.258 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.879 12.033 -3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.967 13.566 -5.366 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.216 14.735 -4.985 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.233 14.879 -2.678 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.279 13.649 -5.367 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.252 14.048 -4.581 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.261 15.367 -1.683 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.261 15.014 -2.508 1.00 0.00 H new ATOM 699 N LEU A 57 -2.544 9.392 -4.428 1.00 0.00 N ATOM 700 CA LEU A 57 -1.238 8.766 -4.592 1.00 0.00 C ATOM 701 C LEU A 57 -1.383 7.392 -5.242 1.00 0.00 C ATOM 702 O LEU A 57 -2.137 6.546 -4.759 1.00 0.00 O ATOM 703 CB LEU A 57 -0.515 8.664 -3.243 1.00 0.00 C ATOM 704 CG LEU A 57 -0.208 10.011 -2.579 1.00 0.00 C ATOM 705 CD1 LEU A 57 0.601 9.821 -1.305 1.00 0.00 C ATOM 706 CD2 LEU A 57 0.530 10.922 -3.550 1.00 0.00 C ATOM 0 H LEU A 57 -2.978 9.237 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.634 9.390 -5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.125 8.069 -2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.421 8.124 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.154 10.480 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.804 10.793 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.036 9.207 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.543 9.327 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.742 11.875 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.466 10.452 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.089 11.092 -4.431 1.00 0.00 H new ATOM 718 N PRO A 58 -0.639 7.153 -6.341 1.00 0.00 N ATOM 719 CA PRO A 58 -0.694 5.896 -7.110 1.00 0.00 C ATOM 720 C PRO A 58 -0.459 4.643 -6.270 1.00 0.00 C ATOM 721 O PRO A 58 -1.210 3.670 -6.379 1.00 0.00 O ATOM 722 CB PRO A 58 0.411 6.058 -8.163 1.00 0.00 C ATOM 723 CG PRO A 58 1.254 7.188 -7.676 1.00 0.00 C ATOM 724 CD PRO A 58 0.321 8.096 -6.932 1.00 0.00 C ATOM 0 HA PRO A 58 -1.688 5.746 -7.531 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.997 5.144 -8.262 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.010 6.275 -9.145 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.053 6.830 -7.027 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.729 7.709 -8.507 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.841 8.676 -6.170 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.167 8.809 -7.597 1.00 0.00 H new ATOM 732 N GLY A 59 0.560 4.659 -5.419 1.00 0.00 N ATOM 733 CA GLY A 59 0.825 3.496 -4.594 1.00 0.00 C ATOM 734 C GLY A 59 -0.235 3.290 -3.540 1.00 0.00 C ATOM 735 O GLY A 59 -0.640 2.160 -3.282 1.00 0.00 O ATOM 0 H GLY A 59 1.198 5.443 -5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.883 2.610 -5.226 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.796 3.608 -4.113 1.00 0.00 H new ATOM 739 N HIS A 60 -0.718 4.384 -2.951 1.00 0.00 N ATOM 740 CA HIS A 60 -1.750 4.281 -1.930 1.00 0.00 C ATOM 741 C HIS A 60 -3.000 3.703 -2.573 1.00 0.00 C ATOM 742 O HIS A 60 -3.755 2.952 -1.953 1.00 0.00 O ATOM 743 CB HIS A 60 -2.058 5.633 -1.273 1.00 0.00 C ATOM 744 CG HIS A 60 -1.132 5.988 -0.148 1.00 0.00 C ATOM 745 ND1 HIS A 60 -1.319 5.595 1.161 1.00 0.00 N ATOM 746 CD2 HIS A 60 0.007 6.724 -0.156 1.00 0.00 C ATOM 747 CE1 HIS A 60 -0.309 6.091 1.889 1.00 0.00 C ATOM 748 NE2 HIS A 60 0.521 6.785 1.133 1.00 0.00 N ATOM 0 H HIS A 60 -0.415 5.335 -3.161 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.391 3.628 -1.134 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.008 6.414 -2.032 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.081 5.618 -0.897 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.090 5.027 1.513 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.445 7.189 -1.027 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.190 5.943 2.952 1.00 0.00 H new ATOM 756 N GLN A 61 -3.178 4.026 -3.854 1.00 0.00 N ATOM 757 CA GLN A 61 -4.306 3.524 -4.627 1.00 0.00 C ATOM 758 C GLN A 61 -4.109 2.029 -4.855 1.00 0.00 C ATOM 759 O GLN A 61 -4.972 1.223 -4.515 1.00 0.00 O ATOM 760 CB GLN A 61 -4.406 4.251 -5.972 1.00 0.00 C ATOM 761 CG GLN A 61 -5.163 5.565 -5.899 1.00 0.00 C ATOM 762 CD GLN A 61 -4.847 6.497 -7.054 1.00 0.00 C ATOM 763 OE1 GLN A 61 -4.485 6.060 -8.144 1.00 0.00 O ATOM 764 NE2 GLN A 61 -5.004 7.793 -6.830 1.00 0.00 N ATOM 0 H GLN A 61 -2.550 4.636 -4.377 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.231 3.702 -4.079 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -3.401 4.441 -6.348 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.898 3.598 -6.693 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.234 5.361 -5.887 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.923 6.064 -4.960 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.306 8.119 -5.912 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.823 8.465 -7.576 1.00 0.00 H new ATOM 773 N LYS A 62 -2.977 1.704 -5.483 1.00 0.00 N ATOM 774 CA LYS A 62 -2.570 0.318 -5.759 1.00 0.00 C ATOM 775 C LYS A 62 -2.962 -0.630 -4.621 1.00 0.00 C ATOM 776 O LYS A 62 -3.594 -1.663 -4.854 1.00 0.00 O ATOM 777 CB LYS A 62 -1.060 0.279 -5.971 1.00 0.00 C ATOM 778 CG LYS A 62 -0.585 -0.755 -6.975 1.00 0.00 C ATOM 779 CD LYS A 62 0.900 -0.583 -7.242 1.00 0.00 C ATOM 780 CE LYS A 62 1.437 -1.642 -8.186 1.00 0.00 C ATOM 781 NZ LYS A 62 2.916 -1.573 -8.290 1.00 0.00 N ATOM 0 H LYS A 62 -2.309 2.398 -5.818 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.088 -0.020 -6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.728 1.264 -6.300 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.578 0.083 -5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.780 -1.758 -6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.144 -0.653 -7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.079 0.405 -7.666 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.445 -0.629 -6.299 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.141 -2.630 -7.834 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.994 -1.510 -9.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.223 -2.020 -9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.219 -0.578 -8.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.344 -2.073 -7.485 1.00 0.00 H new ATOM 795 N ARG A 63 -2.585 -0.266 -3.397 1.00 0.00 N ATOM 796 CA ARG A 63 -2.905 -1.057 -2.210 1.00 0.00 C ATOM 797 C ARG A 63 -4.411 -1.333 -2.123 1.00 0.00 C ATOM 798 O ARG A 63 -4.840 -2.489 -2.110 1.00 0.00 O ATOM 799 CB ARG A 63 -2.446 -0.310 -0.953 1.00 0.00 C ATOM 800 CG ARG A 63 -1.095 -0.758 -0.409 1.00 0.00 C ATOM 801 CD ARG A 63 0.062 -0.241 -1.256 1.00 0.00 C ATOM 802 NE ARG A 63 0.448 -1.196 -2.296 1.00 0.00 N ATOM 803 CZ ARG A 63 1.502 -1.047 -3.104 1.00 0.00 C ATOM 804 NH1 ARG A 63 2.260 0.043 -3.037 1.00 0.00 N ATOM 805 NH2 ARG A 63 1.794 -1.992 -3.990 1.00 0.00 N ATOM 0 H ARG A 63 -2.052 0.581 -3.200 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.384 -2.011 -2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.398 0.756 -1.176 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.198 -0.439 -0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.981 -0.403 0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.061 -1.847 -0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.221 0.704 -1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.919 -0.038 -0.614 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.126 -2.031 -2.412 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.040 0.777 -2.364 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.062 0.146 -3.659 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.214 -2.829 -4.053 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.598 -1.881 -4.608 1.00 0.00 H new ATOM 819 N ILE A 64 -5.192 -0.258 -2.088 1.00 0.00 N ATOM 820 CA ILE A 64 -6.652 -0.340 -1.992 1.00 0.00 C ATOM 821 C ILE A 64 -7.280 -1.068 -3.182 1.00 0.00 C ATOM 822 O ILE A 64 -8.090 -1.977 -2.996 1.00 0.00 O ATOM 823 CB ILE A 64 -7.282 1.061 -1.879 1.00 0.00 C ATOM 824 CG1 ILE A 64 -6.648 1.832 -0.722 1.00 0.00 C ATOM 825 CG2 ILE A 64 -8.788 0.955 -1.682 1.00 0.00 C ATOM 826 CD1 ILE A 64 -7.001 3.300 -0.709 1.00 0.00 C ATOM 0 H ILE A 64 -4.834 0.696 -2.125 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.859 -0.914 -1.089 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.094 1.602 -2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.964 1.383 0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.564 1.728 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.216 1.954 -1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.231 0.436 -2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.997 0.399 -0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.516 3.783 0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.661 3.764 -1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.082 3.414 -0.622 1.00 0.00 H new ATOM 838 N ALA A 65 -6.904 -0.676 -4.396 1.00 0.00 N ATOM 839 CA ALA A 65 -7.448 -1.293 -5.606 1.00 0.00 C ATOM 840 C ALA A 65 -7.237 -2.802 -5.583 1.00 0.00 C ATOM 841 O ALA A 65 -8.115 -3.571 -5.975 1.00 0.00 O ATOM 842 CB ALA A 65 -6.815 -0.691 -6.853 1.00 0.00 C ATOM 0 H ALA A 65 -6.225 0.065 -4.570 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.519 -1.093 -5.633 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.235 -1.166 -7.740 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.018 0.379 -6.884 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.738 -0.855 -6.830 1.00 0.00 H new ATOM 848 N TYR A 66 -6.070 -3.211 -5.101 1.00 0.00 N ATOM 849 CA TYR A 66 -5.728 -4.621 -4.999 1.00 0.00 C ATOM 850 C TYR A 66 -6.710 -5.341 -4.076 1.00 0.00 C ATOM 851 O TYR A 66 -7.366 -6.306 -4.476 1.00 0.00 O ATOM 852 CB TYR A 66 -4.295 -4.774 -4.480 1.00 0.00 C ATOM 853 CG TYR A 66 -3.835 -6.211 -4.339 1.00 0.00 C ATOM 854 CD1 TYR A 66 -3.912 -7.100 -5.410 1.00 0.00 C ATOM 855 CD2 TYR A 66 -3.331 -6.683 -3.132 1.00 0.00 C ATOM 856 CE1 TYR A 66 -3.501 -8.413 -5.278 1.00 0.00 C ATOM 857 CE2 TYR A 66 -2.917 -7.994 -2.998 1.00 0.00 C ATOM 858 CZ TYR A 66 -3.004 -8.852 -4.072 1.00 0.00 C ATOM 859 OH TYR A 66 -2.595 -10.157 -3.936 1.00 0.00 O ATOM 0 H TYR A 66 -5.340 -2.579 -4.772 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.793 -5.073 -5.989 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.618 -4.252 -5.157 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.217 -4.283 -3.510 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.299 -6.757 -6.358 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.262 -6.014 -2.287 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.569 -9.090 -6.116 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.526 -8.345 -2.054 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.270 -10.304 -3.023 1.00 0.00 H new ATOM 869 N SER A 67 -6.826 -4.839 -2.854 1.00 0.00 N ATOM 870 CA SER A 67 -7.718 -5.421 -1.860 1.00 0.00 C ATOM 871 C SER A 67 -9.167 -5.445 -2.346 1.00 0.00 C ATOM 872 O SER A 67 -9.911 -6.376 -2.036 1.00 0.00 O ATOM 873 CB SER A 67 -7.615 -4.632 -0.555 1.00 0.00 C ATOM 874 OG SER A 67 -7.298 -3.276 -0.800 1.00 0.00 O ATOM 0 H SER A 67 -6.309 -4.023 -2.525 1.00 0.00 H new ATOM 0 HA SER A 67 -7.410 -6.453 -1.692 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.559 -4.695 -0.013 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.851 -5.077 0.083 1.00 0.00 H new ATOM 0 HG SER A 67 -7.900 -2.918 -1.485 1.00 0.00 H new ATOM 880 N LEU A 68 -9.567 -4.422 -3.103 1.00 0.00 N ATOM 881 CA LEU A 68 -10.933 -4.335 -3.619 1.00 0.00 C ATOM 882 C LEU A 68 -11.270 -5.492 -4.548 1.00 0.00 C ATOM 883 O LEU A 68 -12.381 -6.023 -4.506 1.00 0.00 O ATOM 884 CB LEU A 68 -11.147 -3.015 -4.365 1.00 0.00 C ATOM 885 CG LEU A 68 -11.399 -1.801 -3.473 1.00 0.00 C ATOM 886 CD1 LEU A 68 -11.347 -0.522 -4.291 1.00 0.00 C ATOM 887 CD2 LEU A 68 -12.746 -1.937 -2.781 1.00 0.00 C ATOM 0 H LEU A 68 -8.965 -3.644 -3.372 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.597 -4.384 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.270 -2.818 -4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.993 -3.131 -5.042 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.618 -1.753 -2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.529 0.334 -3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.364 -0.425 -4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.111 -0.556 -5.068 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.919 -1.068 -2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.535 -2.002 -3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.751 -2.839 -2.169 1.00 0.00 H new ATOM 899 N LEU A 69 -10.311 -5.881 -5.383 1.00 0.00 N ATOM 900 CA LEU A 69 -10.526 -6.976 -6.321 1.00 0.00 C ATOM 901 C LEU A 69 -10.892 -8.252 -5.569 1.00 0.00 C ATOM 902 O LEU A 69 -11.770 -9.003 -5.990 1.00 0.00 O ATOM 903 CB LEU A 69 -9.283 -7.210 -7.182 1.00 0.00 C ATOM 904 CG LEU A 69 -8.802 -6.000 -7.990 1.00 0.00 C ATOM 905 CD1 LEU A 69 -7.421 -6.265 -8.563 1.00 0.00 C ATOM 906 CD2 LEU A 69 -9.781 -5.665 -9.107 1.00 0.00 C ATOM 0 H LEU A 69 -9.384 -5.457 -5.429 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.351 -6.703 -6.979 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.470 -7.538 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.490 -8.027 -7.873 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.747 -5.143 -7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.092 -5.397 -9.135 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.719 -6.452 -7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.459 -7.137 -9.216 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.416 -4.803 -9.665 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.873 -6.519 -9.778 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.756 -5.433 -8.679 1.00 0.00 H new ATOM 918 N GLY A 70 -10.223 -8.467 -4.439 1.00 0.00 N ATOM 919 CA GLY A 70 -10.481 -9.642 -3.629 1.00 0.00 C ATOM 920 C GLY A 70 -11.882 -9.650 -3.047 1.00 0.00 C ATOM 921 O GLY A 70 -12.576 -10.662 -3.105 1.00 0.00 O ATOM 0 H GLY A 70 -9.504 -7.845 -4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.338 -10.536 -4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.754 -9.687 -2.818 1.00 0.00 H new ATOM 925 N LEU A 71 -12.298 -8.514 -2.489 1.00 0.00 N ATOM 926 CA LEU A 71 -13.626 -8.380 -1.889 1.00 0.00 C ATOM 927 C LEU A 71 -14.734 -8.709 -2.892 1.00 0.00 C ATOM 928 O LEU A 71 -15.676 -9.442 -2.574 1.00 0.00 O ATOM 929 CB LEU A 71 -13.826 -6.961 -1.359 1.00 0.00 C ATOM 930 CG LEU A 71 -13.068 -6.611 -0.076 1.00 0.00 C ATOM 931 CD1 LEU A 71 -13.473 -5.229 0.411 1.00 0.00 C ATOM 932 CD2 LEU A 71 -13.323 -7.651 1.008 1.00 0.00 C ATOM 0 H LEU A 71 -11.731 -7.668 -2.440 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.686 -9.092 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.527 -6.258 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -14.890 -6.807 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.001 -6.609 -0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.928 -4.991 1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.238 -4.490 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.544 -5.214 0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.773 -7.379 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.389 -7.690 1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.989 -8.629 0.660 1.00 0.00 H new ATOM 944 N LYS A 72 -14.615 -8.170 -4.102 1.00 0.00 N ATOM 945 CA LYS A 72 -15.606 -8.406 -5.147 1.00 0.00 C ATOM 946 C LYS A 72 -15.621 -9.879 -5.546 1.00 0.00 C ATOM 947 O LYS A 72 -16.681 -10.460 -5.767 1.00 0.00 O ATOM 948 CB LYS A 72 -15.324 -7.515 -6.362 1.00 0.00 C ATOM 949 CG LYS A 72 -15.364 -6.028 -6.034 1.00 0.00 C ATOM 950 CD LYS A 72 -15.149 -5.159 -7.264 1.00 0.00 C ATOM 951 CE LYS A 72 -15.172 -3.678 -6.905 1.00 0.00 C ATOM 952 NZ LYS A 72 -16.147 -2.916 -7.732 1.00 0.00 N ATOM 0 H LYS A 72 -13.842 -7.567 -4.383 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.591 -8.150 -4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.344 -7.765 -6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.057 -7.729 -7.140 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.326 -5.784 -5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.597 -5.801 -5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.194 -5.409 -7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.924 -5.369 -8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.425 -3.565 -5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.176 -3.257 -7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.081 -1.904 -7.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.932 -3.057 -8.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.110 -3.254 -7.533 1.00 0.00 H new ATOM 966 N ASP A 73 -14.439 -10.470 -5.643 1.00 0.00 N ATOM 967 CA ASP A 73 -14.310 -11.882 -5.991 1.00 0.00 C ATOM 968 C ASP A 73 -14.908 -12.765 -4.896 1.00 0.00 C ATOM 969 O ASP A 73 -15.634 -13.722 -5.176 1.00 0.00 O ATOM 970 CB ASP A 73 -12.836 -12.231 -6.195 1.00 0.00 C ATOM 971 CG ASP A 73 -12.641 -13.448 -7.074 1.00 0.00 C ATOM 972 OD1 ASP A 73 -12.677 -13.299 -8.313 1.00 0.00 O ATOM 973 OD2 ASP A 73 -12.423 -14.550 -6.533 1.00 0.00 O ATOM 0 H ASP A 73 -13.551 -9.994 -5.485 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.856 -12.064 -6.917 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.323 -11.379 -6.642 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.371 -12.410 -5.225 1.00 0.00 H new ATOM 978 N GLN A 74 -14.612 -12.423 -3.646 1.00 0.00 N ATOM 979 CA GLN A 74 -15.107 -13.170 -2.492 1.00 0.00 C ATOM 980 C GLN A 74 -16.633 -13.206 -2.452 1.00 0.00 C ATOM 981 O GLN A 74 -17.226 -14.260 -2.231 1.00 0.00 O ATOM 982 CB GLN A 74 -14.581 -12.557 -1.190 1.00 0.00 C ATOM 983 CG GLN A 74 -13.127 -12.885 -0.892 1.00 0.00 C ATOM 984 CD GLN A 74 -12.939 -14.264 -0.287 1.00 0.00 C ATOM 985 OE1 GLN A 74 -13.676 -15.202 -0.593 1.00 0.00 O ATOM 986 NE2 GLN A 74 -11.952 -14.392 0.584 1.00 0.00 N ATOM 0 H GLN A 74 -14.025 -11.625 -3.404 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.742 -14.192 -2.591 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.695 -11.474 -1.239 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -15.198 -12.906 -0.362 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -12.549 -12.818 -1.814 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.725 -12.137 -0.209 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -11.364 -13.590 0.810 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.779 -15.293 1.030 1.00 0.00 H new ATOM 995 N VAL A 75 -17.273 -12.060 -2.684 1.00 0.00 N ATOM 996 CA VAL A 75 -18.731 -11.984 -2.645 1.00 0.00 C ATOM 997 C VAL A 75 -19.366 -12.695 -3.844 1.00 0.00 C ATOM 998 O VAL A 75 -20.567 -12.963 -3.858 1.00 0.00 O ATOM 999 CB VAL A 75 -19.226 -10.517 -2.580 1.00 0.00 C ATOM 1000 CG1 VAL A 75 -19.171 -9.847 -3.946 1.00 0.00 C ATOM 1001 CG2 VAL A 75 -20.633 -10.452 -2.004 1.00 0.00 C ATOM 0 H VAL A 75 -16.808 -11.178 -2.899 1.00 0.00 H new ATOM 0 HA VAL A 75 -19.045 -12.495 -1.735 1.00 0.00 H new ATOM 0 HB VAL A 75 -18.555 -9.970 -1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -19.525 -8.820 -3.862 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -18.144 -9.848 -4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.804 -10.393 -4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -20.963 -9.414 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -21.311 -11.026 -2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.634 -10.870 -0.997 1.00 0.00 H new ATOM 1011 N ASN A 76 -18.553 -13.005 -4.845 1.00 0.00 N ATOM 1012 CA ASN A 76 -19.044 -13.686 -6.035 1.00 0.00 C ATOM 1013 C ASN A 76 -18.861 -15.190 -5.898 1.00 0.00 C ATOM 1014 O ASN A 76 -19.283 -15.965 -6.758 1.00 0.00 O ATOM 1015 CB ASN A 76 -18.334 -13.168 -7.287 1.00 0.00 C ATOM 1016 CG ASN A 76 -19.097 -12.038 -7.953 1.00 0.00 C ATOM 1017 OD1 ASN A 76 -19.978 -12.271 -8.781 1.00 0.00 O ATOM 1018 ND2 ASN A 76 -18.769 -10.806 -7.595 1.00 0.00 N ATOM 0 H ASN A 76 -17.555 -12.797 -4.857 1.00 0.00 H new ATOM 0 HA ASN A 76 -20.109 -13.475 -6.137 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -17.336 -12.822 -7.019 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -18.208 -13.986 -7.996 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -19.252 -10.009 -8.009 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -18.033 -10.654 -6.905 1.00 0.00 H new ATOM 1025 N THR A 77 -18.215 -15.592 -4.817 1.00 0.00 N ATOM 1026 CA THR A 77 -17.989 -16.998 -4.541 1.00 0.00 C ATOM 1027 C THR A 77 -19.006 -17.501 -3.520 1.00 0.00 C ATOM 1028 O THR A 77 -19.385 -16.772 -2.601 1.00 0.00 O ATOM 1029 CB THR A 77 -16.555 -17.232 -4.023 1.00 0.00 C ATOM 1030 OG1 THR A 77 -15.617 -16.618 -4.921 1.00 0.00 O ATOM 1031 CG2 THR A 77 -16.245 -18.719 -3.907 1.00 0.00 C ATOM 0 H THR A 77 -17.836 -14.959 -4.113 1.00 0.00 H new ATOM 0 HA THR A 77 -18.112 -17.555 -5.470 1.00 0.00 H new ATOM 0 HB THR A 77 -16.473 -16.787 -3.031 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.705 -15.643 -4.870 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.227 -18.851 -3.540 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.945 -19.183 -3.212 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.341 -19.188 -4.886 1.00 0.00 H new ATOM 1039 N VAL A 78 -19.460 -18.734 -3.706 1.00 0.00 N ATOM 1040 CA VAL A 78 -20.430 -19.337 -2.803 1.00 0.00 C ATOM 1041 C VAL A 78 -19.793 -19.621 -1.445 1.00 0.00 C ATOM 1042 O VAL A 78 -20.264 -19.059 -0.436 1.00 0.00 O ATOM 1043 CB VAL A 78 -21.030 -20.643 -3.380 1.00 0.00 C ATOM 1044 CG1 VAL A 78 -22.166 -20.328 -4.342 1.00 0.00 C ATOM 1045 CG2 VAL A 78 -19.962 -21.481 -4.074 1.00 0.00 C ATOM 1046 OXT VAL A 78 -18.803 -20.378 -1.395 1.00 0.00 O ATOM 0 H VAL A 78 -19.171 -19.337 -4.476 1.00 0.00 H new ATOM 0 HA VAL A 78 -21.242 -18.620 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 78 -21.427 -21.225 -2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -22.576 -21.257 -4.738 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -22.948 -19.782 -3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -21.789 -19.719 -5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -20.413 -22.391 -4.469 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -19.525 -20.908 -4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -19.183 -21.743 -3.358 1.00 0.00 H new TER 1056 VAL A 78 ATOM 1057 N GLY B 28 7.237 4.676 11.087 1.00 0.00 N ATOM 1058 CA GLY B 28 8.582 5.038 10.580 1.00 0.00 C ATOM 1059 C GLY B 28 9.447 3.822 10.341 1.00 0.00 C ATOM 1060 O GLY B 28 9.549 2.945 11.201 1.00 0.00 O ATOM 0 HA2 GLY B 28 8.480 5.598 9.650 1.00 0.00 H new ATOM 0 HA3 GLY B 28 9.073 5.697 11.296 1.00 0.00 H new ATOM 1064 N MET B 29 10.078 3.764 9.179 1.00 0.00 N ATOM 1065 CA MET B 29 10.933 2.639 8.835 1.00 0.00 C ATOM 1066 C MET B 29 12.363 3.098 8.580 1.00 0.00 C ATOM 1067 O MET B 29 13.220 2.293 8.225 1.00 0.00 O ATOM 1068 CB MET B 29 10.390 1.891 7.614 1.00 0.00 C ATOM 1069 CG MET B 29 10.362 2.717 6.341 1.00 0.00 C ATOM 1070 SD MET B 29 9.935 1.735 4.894 1.00 0.00 S ATOM 1071 CE MET B 29 9.416 3.018 3.760 1.00 0.00 C ATOM 0 H MET B 29 10.014 4.483 8.458 1.00 0.00 H new ATOM 0 HA MET B 29 10.937 1.955 9.684 1.00 0.00 H new ATOM 0 HB2 MET B 29 11.000 1.003 7.445 1.00 0.00 H new ATOM 0 HB3 MET B 29 9.379 1.546 7.833 1.00 0.00 H new ATOM 0 HG2 MET B 29 9.641 3.527 6.453 1.00 0.00 H new ATOM 0 HG3 MET B 29 11.338 3.178 6.189 1.00 0.00 H new ATOM 0 HE1 MET B 29 8.757 2.591 3.004 1.00 0.00 H new ATOM 0 HE2 MET B 29 8.883 3.795 4.309 1.00 0.00 H new ATOM 0 HE3 MET B 29 10.291 3.451 3.276 1.00 0.00 H new ATOM 1081 N SER B 30 12.617 4.391 8.760 1.00 0.00 N ATOM 1082 CA SER B 30 13.957 4.938 8.567 1.00 0.00 C ATOM 1083 C SER B 30 14.937 4.232 9.495 1.00 0.00 C ATOM 1084 O SER B 30 16.005 3.803 9.074 1.00 0.00 O ATOM 1085 CB SER B 30 13.951 6.439 8.843 1.00 0.00 C ATOM 1086 OG SER B 30 12.701 6.847 9.373 1.00 0.00 O ATOM 0 H SER B 30 11.916 5.078 9.038 1.00 0.00 H new ATOM 0 HA SER B 30 14.268 4.775 7.535 1.00 0.00 H new ATOM 0 HB2 SER B 30 14.747 6.688 9.544 1.00 0.00 H new ATOM 0 HB3 SER B 30 14.156 6.984 7.921 1.00 0.00 H new ATOM 0 HG SER B 30 12.196 7.329 8.686 1.00 0.00 H new ATOM 1092 N ALA B 31 14.554 4.148 10.768 1.00 0.00 N ATOM 1093 CA ALA B 31 15.354 3.459 11.781 1.00 0.00 C ATOM 1094 C ALA B 31 15.697 2.038 11.330 1.00 0.00 C ATOM 1095 O ALA B 31 16.757 1.509 11.660 1.00 0.00 O ATOM 1096 CB ALA B 31 14.612 3.429 13.106 1.00 0.00 C ATOM 0 H ALA B 31 13.688 4.552 11.125 1.00 0.00 H new ATOM 0 HA ALA B 31 16.286 4.008 11.913 1.00 0.00 H new ATOM 0 HB1 ALA B 31 15.218 2.914 13.851 1.00 0.00 H new ATOM 0 HB2 ALA B 31 14.419 4.449 13.438 1.00 0.00 H new ATOM 0 HB3 ALA B 31 13.666 2.903 12.981 1.00 0.00 H new ATOM 1102 N TRP B 32 14.790 1.425 10.576 1.00 0.00 N ATOM 1103 CA TRP B 32 15.005 0.081 10.060 1.00 0.00 C ATOM 1104 C TRP B 32 15.968 0.142 8.877 1.00 0.00 C ATOM 1105 O TRP B 32 16.946 -0.604 8.812 1.00 0.00 O ATOM 1106 CB TRP B 32 13.668 -0.547 9.645 1.00 0.00 C ATOM 1107 CG TRP B 32 13.811 -1.819 8.864 1.00 0.00 C ATOM 1108 CD1 TRP B 32 14.361 -2.991 9.295 1.00 0.00 C ATOM 1109 CD2 TRP B 32 13.394 -2.045 7.512 1.00 0.00 C ATOM 1110 NE1 TRP B 32 14.316 -3.929 8.294 1.00 0.00 N ATOM 1111 CE2 TRP B 32 13.726 -3.373 7.190 1.00 0.00 C ATOM 1112 CE3 TRP B 32 12.773 -1.253 6.544 1.00 0.00 C ATOM 1113 CZ2 TRP B 32 13.458 -3.926 5.941 1.00 0.00 C ATOM 1114 CZ3 TRP B 32 12.507 -1.802 5.305 1.00 0.00 C ATOM 1115 CH2 TRP B 32 12.849 -3.127 5.013 1.00 0.00 C ATOM 0 H TRP B 32 13.897 1.840 10.309 1.00 0.00 H new ATOM 0 HA TRP B 32 15.443 -0.543 10.839 1.00 0.00 H new ATOM 0 HB2 TRP B 32 13.078 -0.746 10.540 1.00 0.00 H new ATOM 0 HB3 TRP B 32 13.109 0.174 9.048 1.00 0.00 H new ATOM 0 HD1 TRP B 32 14.772 -3.156 10.280 1.00 0.00 H new ATOM 0 HE1 TRP B 32 14.665 -4.885 8.361 1.00 0.00 H new ATOM 0 HE3 TRP B 32 12.505 -0.229 6.760 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 13.721 -4.948 5.713 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 12.027 -1.199 4.549 1.00 0.00 H new ATOM 0 HH2 TRP B 32 12.627 -3.527 4.035 1.00 0.00 H new ATOM 1126 N LEU B 33 15.708 1.072 7.966 1.00 0.00 N ATOM 1127 CA LEU B 33 16.546 1.262 6.788 1.00 0.00 C ATOM 1128 C LEU B 33 17.795 2.068 7.142 1.00 0.00 C ATOM 1129 O LEU B 33 18.368 2.743 6.291 1.00 0.00 O ATOM 1130 CB LEU B 33 15.763 1.988 5.688 1.00 0.00 C ATOM 1131 CG LEU B 33 14.726 1.142 4.949 1.00 0.00 C ATOM 1132 CD1 LEU B 33 13.844 2.023 4.077 1.00 0.00 C ATOM 1133 CD2 LEU B 33 15.408 0.075 4.107 1.00 0.00 C ATOM 0 H LEU B 33 14.916 1.712 8.022 1.00 0.00 H new ATOM 0 HA LEU B 33 16.848 0.280 6.425 1.00 0.00 H new ATOM 0 HB2 LEU B 33 15.257 2.845 6.132 1.00 0.00 H new ATOM 0 HB3 LEU B 33 16.473 2.379 4.959 1.00 0.00 H new ATOM 0 HG LEU B 33 14.097 0.647 5.689 1.00 0.00 H new ATOM 0 HD11 LEU B 33 13.112 1.405 3.558 1.00 0.00 H new ATOM 0 HD12 LEU B 33 13.327 2.751 4.701 1.00 0.00 H new ATOM 0 HD13 LEU B 33 14.461 2.545 3.346 1.00 0.00 H new ATOM 0 HD21 LEU B 33 14.654 -0.517 3.589 1.00 0.00 H new ATOM 0 HD22 LEU B 33 16.061 0.551 3.376 1.00 0.00 H new ATOM 0 HD23 LEU B 33 15.999 -0.575 4.752 1.00 0.00 H new ATOM 1145 N ARG B 34 18.253 1.940 8.381 1.00 0.00 N ATOM 1146 CA ARG B 34 19.418 2.671 8.854 1.00 0.00 C ATOM 1147 C ARG B 34 20.563 1.679 9.039 1.00 0.00 C ATOM 1148 O ARG B 34 21.674 2.031 9.431 1.00 0.00 O ATOM 1149 CB ARG B 34 19.088 3.375 10.181 1.00 0.00 C ATOM 1150 CG ARG B 34 20.185 4.291 10.700 1.00 0.00 C ATOM 1151 CD ARG B 34 20.068 5.696 10.128 1.00 0.00 C ATOM 1152 NE ARG B 34 19.175 6.544 10.921 1.00 0.00 N ATOM 1153 CZ ARG B 34 18.833 7.787 10.581 1.00 0.00 C ATOM 1154 NH1 ARG B 34 19.274 8.319 9.448 1.00 0.00 N ATOM 1155 NH2 ARG B 34 18.041 8.498 11.375 1.00 0.00 N ATOM 0 H ARG B 34 17.830 1.331 9.081 1.00 0.00 H new ATOM 0 HA ARG B 34 19.709 3.433 8.131 1.00 0.00 H new ATOM 0 HB2 ARG B 34 18.177 3.958 10.051 1.00 0.00 H new ATOM 0 HB3 ARG B 34 18.877 2.618 10.936 1.00 0.00 H new ATOM 0 HG2 ARG B 34 20.136 4.337 11.788 1.00 0.00 H new ATOM 0 HG3 ARG B 34 21.159 3.874 10.442 1.00 0.00 H new ATOM 0 HD2 ARG B 34 21.057 6.153 10.086 1.00 0.00 H new ATOM 0 HD3 ARG B 34 19.699 5.640 9.104 1.00 0.00 H new ATOM 0 HE ARG B 34 18.792 6.161 11.785 1.00 0.00 H new ATOM 0 HH11 ARG B 34 19.878 7.776 8.831 1.00 0.00 H new ATOM 0 HH12 ARG B 34 19.008 9.271 9.194 1.00 0.00 H new ATOM 0 HH21 ARG B 34 17.694 8.093 12.245 1.00 0.00 H new ATOM 0 HH22 ARG B 34 17.779 9.449 11.115 1.00 0.00 H new ATOM 1169 N ALA B 35 20.270 0.425 8.718 1.00 0.00 N ATOM 1170 CA ALA B 35 21.245 -0.648 8.838 1.00 0.00 C ATOM 1171 C ALA B 35 21.942 -0.866 7.503 1.00 0.00 C ATOM 1172 O ALA B 35 22.942 -1.579 7.414 1.00 0.00 O ATOM 1173 CB ALA B 35 20.573 -1.931 9.307 1.00 0.00 C ATOM 0 H ALA B 35 19.359 0.126 8.371 1.00 0.00 H new ATOM 0 HA ALA B 35 21.990 -0.365 9.581 1.00 0.00 H new ATOM 0 HB1 ALA B 35 21.318 -2.722 9.391 1.00 0.00 H new ATOM 0 HB2 ALA B 35 20.109 -1.764 10.279 1.00 0.00 H new ATOM 0 HB3 ALA B 35 19.810 -2.226 8.587 1.00 0.00 H new ATOM 1179 N ILE B 36 21.395 -0.238 6.467 1.00 0.00 N ATOM 1180 CA ILE B 36 21.938 -0.340 5.118 1.00 0.00 C ATOM 1181 C ILE B 36 22.003 1.037 4.462 1.00 0.00 C ATOM 1182 O ILE B 36 22.165 1.149 3.249 1.00 0.00 O ATOM 1183 CB ILE B 36 21.086 -1.275 4.230 1.00 0.00 C ATOM 1184 CG1 ILE B 36 19.607 -0.886 4.308 1.00 0.00 C ATOM 1185 CG2 ILE B 36 21.282 -2.729 4.637 1.00 0.00 C ATOM 1186 CD1 ILE B 36 18.769 -1.462 3.188 1.00 0.00 C ATOM 0 H ILE B 36 20.567 0.353 6.539 1.00 0.00 H new ATOM 0 HA ILE B 36 22.941 -0.758 5.208 1.00 0.00 H new ATOM 0 HB ILE B 36 21.417 -1.164 3.197 1.00 0.00 H new ATOM 0 HG12 ILE B 36 19.202 -1.221 5.263 1.00 0.00 H new ATOM 0 HG13 ILE B 36 19.524 0.201 4.290 1.00 0.00 H new ATOM 0 HG21 ILE B 36 20.673 -3.370 4.000 1.00 0.00 H new ATOM 0 HG22 ILE B 36 22.332 -2.999 4.527 1.00 0.00 H new ATOM 0 HG23 ILE B 36 20.981 -2.860 5.676 1.00 0.00 H new ATOM 0 HD11 ILE B 36 17.733 -1.145 3.308 1.00 0.00 H new ATOM 0 HD12 ILE B 36 19.148 -1.107 2.230 1.00 0.00 H new ATOM 0 HD13 ILE B 36 18.821 -2.550 3.218 1.00 0.00 H new ATOM 1198 N GLY B 37 21.914 2.076 5.293 1.00 0.00 N ATOM 1199 CA GLY B 37 21.942 3.452 4.810 1.00 0.00 C ATOM 1200 C GLY B 37 20.972 3.716 3.668 1.00 0.00 C ATOM 1201 O GLY B 37 21.367 4.215 2.613 1.00 0.00 O ATOM 0 H GLY B 37 21.822 1.988 6.305 1.00 0.00 H new ATOM 0 HA2 GLY B 37 21.709 4.123 5.636 1.00 0.00 H new ATOM 0 HA3 GLY B 37 22.953 3.692 4.480 1.00 0.00 H new ATOM 1205 N LEU B 38 19.700 3.396 3.877 1.00 0.00 N ATOM 1206 CA LEU B 38 18.687 3.600 2.848 1.00 0.00 C ATOM 1207 C LEU B 38 17.519 4.414 3.393 1.00 0.00 C ATOM 1208 O LEU B 38 16.475 4.530 2.749 1.00 0.00 O ATOM 1209 CB LEU B 38 18.181 2.256 2.312 1.00 0.00 C ATOM 1210 CG LEU B 38 18.538 1.954 0.851 1.00 0.00 C ATOM 1211 CD1 LEU B 38 20.019 1.641 0.710 1.00 0.00 C ATOM 1212 CD2 LEU B 38 17.694 0.802 0.324 1.00 0.00 C ATOM 0 H LEU B 38 19.347 2.996 4.746 1.00 0.00 H new ATOM 0 HA LEU B 38 19.148 4.154 2.030 1.00 0.00 H new ATOM 0 HB2 LEU B 38 18.583 1.460 2.939 1.00 0.00 H new ATOM 0 HB3 LEU B 38 17.096 2.227 2.417 1.00 0.00 H new ATOM 0 HG LEU B 38 18.321 2.841 0.256 1.00 0.00 H new ATOM 0 HD11 LEU B 38 20.248 1.430 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU B 38 20.605 2.497 1.045 1.00 0.00 H new ATOM 0 HD13 LEU B 38 20.267 0.771 1.319 1.00 0.00 H new ATOM 0 HD21 LEU B 38 17.960 0.601 -0.714 1.00 0.00 H new ATOM 0 HD22 LEU B 38 17.878 -0.089 0.925 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.638 1.068 0.383 1.00 0.00 H new ATOM 1224 N GLU B 39 17.702 4.977 4.583 1.00 0.00 N ATOM 1225 CA GLU B 39 16.673 5.786 5.230 1.00 0.00 C ATOM 1226 C GLU B 39 16.283 6.987 4.367 1.00 0.00 C ATOM 1227 O GLU B 39 15.161 7.487 4.453 1.00 0.00 O ATOM 1228 CB GLU B 39 17.155 6.263 6.606 1.00 0.00 C ATOM 1229 CG GLU B 39 18.327 7.237 6.551 1.00 0.00 C ATOM 1230 CD GLU B 39 19.675 6.555 6.689 1.00 0.00 C ATOM 1231 OE1 GLU B 39 19.870 5.484 6.083 1.00 0.00 O ATOM 1232 OE2 GLU B 39 20.545 7.098 7.408 1.00 0.00 O ATOM 0 H GLU B 39 18.562 4.887 5.124 1.00 0.00 H new ATOM 0 HA GLU B 39 15.790 5.160 5.358 1.00 0.00 H new ATOM 0 HB2 GLU B 39 16.324 6.740 7.125 1.00 0.00 H new ATOM 0 HB3 GLU B 39 17.445 5.395 7.199 1.00 0.00 H new ATOM 0 HG2 GLU B 39 18.296 7.780 5.606 1.00 0.00 H new ATOM 0 HG3 GLU B 39 18.216 7.974 7.346 1.00 0.00 H new ATOM 1239 N ARG B 40 17.204 7.417 3.517 1.00 0.00 N ATOM 1240 CA ARG B 40 16.969 8.556 2.633 1.00 0.00 C ATOM 1241 C ARG B 40 15.929 8.214 1.565 1.00 0.00 C ATOM 1242 O ARG B 40 15.448 9.092 0.853 1.00 0.00 O ATOM 1243 CB ARG B 40 18.269 9.005 1.952 1.00 0.00 C ATOM 1244 CG ARG B 40 19.528 8.328 2.479 1.00 0.00 C ATOM 1245 CD ARG B 40 20.757 8.741 1.682 1.00 0.00 C ATOM 1246 NE ARG B 40 20.636 8.396 0.262 1.00 0.00 N ATOM 1247 CZ ARG B 40 21.661 8.025 -0.506 1.00 0.00 C ATOM 1248 NH1 ARG B 40 22.893 7.988 -0.008 1.00 0.00 N ATOM 1249 NH2 ARG B 40 21.456 7.704 -1.778 1.00 0.00 N ATOM 0 H ARG B 40 18.127 6.994 3.419 1.00 0.00 H new ATOM 0 HA ARG B 40 16.592 9.372 3.250 1.00 0.00 H new ATOM 0 HB2 ARG B 40 18.189 8.811 0.882 1.00 0.00 H new ATOM 0 HB3 ARG B 40 18.374 10.083 2.074 1.00 0.00 H new ATOM 0 HG2 ARG B 40 19.670 8.586 3.528 1.00 0.00 H new ATOM 0 HG3 ARG B 40 19.408 7.246 2.431 1.00 0.00 H new ATOM 0 HD2 ARG B 40 20.909 9.816 1.782 1.00 0.00 H new ATOM 0 HD3 ARG B 40 21.639 8.255 2.099 1.00 0.00 H new ATOM 0 HE ARG B 40 19.711 8.443 -0.165 1.00 0.00 H new ATOM 0 HH11 ARG B 40 23.057 8.244 0.966 1.00 0.00 H new ATOM 0 HH12 ARG B 40 23.674 7.704 -0.599 1.00 0.00 H new ATOM 0 HH21 ARG B 40 20.514 7.741 -2.168 1.00 0.00 H new ATOM 0 HH22 ARG B 40 22.240 7.420 -2.365 1.00 0.00 H new ATOM 1263 N TYR B 41 15.578 6.937 1.462 1.00 0.00 N ATOM 1264 CA TYR B 41 14.610 6.494 0.469 1.00 0.00 C ATOM 1265 C TYR B 41 13.221 6.293 1.071 1.00 0.00 C ATOM 1266 O TYR B 41 12.258 6.089 0.331 1.00 0.00 O ATOM 1267 CB TYR B 41 15.085 5.197 -0.191 1.00 0.00 C ATOM 1268 CG TYR B 41 16.331 5.364 -1.031 1.00 0.00 C ATOM 1269 CD1 TYR B 41 17.594 5.228 -0.469 1.00 0.00 C ATOM 1270 CD2 TYR B 41 16.246 5.663 -2.386 1.00 0.00 C ATOM 1271 CE1 TYR B 41 18.735 5.382 -1.230 1.00 0.00 C ATOM 1272 CE2 TYR B 41 17.383 5.820 -3.155 1.00 0.00 C ATOM 1273 CZ TYR B 41 18.624 5.678 -2.572 1.00 0.00 C ATOM 1274 OH TYR B 41 19.759 5.833 -3.334 1.00 0.00 O ATOM 0 H TYR B 41 15.949 6.193 2.053 1.00 0.00 H new ATOM 0 HA TYR B 41 14.534 7.280 -0.283 1.00 0.00 H new ATOM 0 HB2 TYR B 41 15.276 4.454 0.584 1.00 0.00 H new ATOM 0 HB3 TYR B 41 14.285 4.804 -0.818 1.00 0.00 H new ATOM 0 HD1 TYR B 41 17.685 4.998 0.582 1.00 0.00 H new ATOM 0 HD2 TYR B 41 15.275 5.774 -2.845 1.00 0.00 H new ATOM 0 HE1 TYR B 41 19.709 5.271 -0.777 1.00 0.00 H new ATOM 0 HE2 TYR B 41 17.300 6.053 -4.206 1.00 0.00 H new ATOM 0 HH TYR B 41 20.293 5.012 -3.296 1.00 0.00 H new ATOM 1284 N GLU B 42 13.116 6.338 2.405 1.00 0.00 N ATOM 1285 CA GLU B 42 11.830 6.157 3.090 1.00 0.00 C ATOM 1286 C GLU B 42 10.729 7.022 2.475 1.00 0.00 C ATOM 1287 O GLU B 42 9.727 6.500 1.984 1.00 0.00 O ATOM 1288 CB GLU B 42 11.974 6.474 4.585 1.00 0.00 C ATOM 1289 CG GLU B 42 10.662 6.387 5.355 1.00 0.00 C ATOM 1290 CD GLU B 42 10.816 6.716 6.826 1.00 0.00 C ATOM 1291 OE1 GLU B 42 11.445 7.741 7.152 1.00 0.00 O ATOM 1292 OE2 GLU B 42 10.296 5.956 7.672 1.00 0.00 O ATOM 0 H GLU B 42 13.905 6.498 3.031 1.00 0.00 H new ATOM 0 HA GLU B 42 11.539 5.114 2.967 1.00 0.00 H new ATOM 0 HB2 GLU B 42 12.692 5.783 5.027 1.00 0.00 H new ATOM 0 HB3 GLU B 42 12.386 7.477 4.697 1.00 0.00 H new ATOM 0 HG2 GLU B 42 9.939 7.071 4.909 1.00 0.00 H new ATOM 0 HG3 GLU B 42 10.254 5.381 5.254 1.00 0.00 H new ATOM 1299 N GLU B 43 10.913 8.342 2.541 1.00 0.00 N ATOM 1300 CA GLU B 43 9.952 9.300 1.980 1.00 0.00 C ATOM 1301 C GLU B 43 9.512 8.920 0.563 1.00 0.00 C ATOM 1302 O GLU B 43 8.331 9.026 0.222 1.00 0.00 O ATOM 1303 CB GLU B 43 10.544 10.712 1.977 1.00 0.00 C ATOM 1304 CG GLU B 43 9.627 11.749 1.344 1.00 0.00 C ATOM 1305 CD GLU B 43 9.581 13.046 2.119 1.00 0.00 C ATOM 1306 OE1 GLU B 43 10.459 13.904 1.903 1.00 0.00 O ATOM 1307 OE2 GLU B 43 8.659 13.217 2.944 1.00 0.00 O ATOM 0 H GLU B 43 11.724 8.777 2.980 1.00 0.00 H new ATOM 0 HA GLU B 43 9.069 9.275 2.618 1.00 0.00 H new ATOM 0 HB2 GLU B 43 10.763 11.009 3.003 1.00 0.00 H new ATOM 0 HB3 GLU B 43 11.492 10.700 1.440 1.00 0.00 H new ATOM 0 HG2 GLU B 43 9.963 11.951 0.327 1.00 0.00 H new ATOM 0 HG3 GLU B 43 8.620 11.339 1.271 1.00 0.00 H new ATOM 1314 N GLY B 44 10.458 8.455 -0.248 1.00 0.00 N ATOM 1315 CA GLY B 44 10.148 8.071 -1.614 1.00 0.00 C ATOM 1316 C GLY B 44 9.187 6.901 -1.681 1.00 0.00 C ATOM 1317 O GLY B 44 8.297 6.862 -2.529 1.00 0.00 O ATOM 0 H GLY B 44 11.436 8.337 0.017 1.00 0.00 H new ATOM 0 HA2 GLY B 44 9.716 8.923 -2.139 1.00 0.00 H new ATOM 0 HA3 GLY B 44 11.070 7.811 -2.134 1.00 0.00 H new ATOM 1321 N LEU B 45 9.361 5.951 -0.772 1.00 0.00 N ATOM 1322 CA LEU B 45 8.510 4.771 -0.725 1.00 0.00 C ATOM 1323 C LEU B 45 7.143 5.109 -0.134 1.00 0.00 C ATOM 1324 O LEU B 45 6.114 4.709 -0.675 1.00 0.00 O ATOM 1325 CB LEU B 45 9.185 3.673 0.097 1.00 0.00 C ATOM 1326 CG LEU B 45 10.501 3.148 -0.484 1.00 0.00 C ATOM 1327 CD1 LEU B 45 11.280 2.375 0.567 1.00 0.00 C ATOM 1328 CD2 LEU B 45 10.231 2.271 -1.697 1.00 0.00 C ATOM 0 H LEU B 45 10.086 5.975 -0.055 1.00 0.00 H new ATOM 0 HA LEU B 45 8.360 4.413 -1.744 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.375 4.055 1.100 1.00 0.00 H new ATOM 0 HB3 LEU B 45 8.492 2.838 0.200 1.00 0.00 H new ATOM 0 HG LEU B 45 11.103 4.001 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU B 45 12.212 2.010 0.134 1.00 0.00 H new ATOM 0 HD12 LEU B 45 11.503 3.030 1.409 1.00 0.00 H new ATOM 0 HD13 LEU B 45 10.685 1.530 0.912 1.00 0.00 H new ATOM 0 HD21 LEU B 45 11.176 1.905 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU B 45 9.610 1.425 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU B 45 9.714 2.854 -2.459 1.00 0.00 H new ATOM 1340 N VAL B 46 7.151 5.822 0.994 1.00 0.00 N ATOM 1341 CA VAL B 46 5.923 6.237 1.686 1.00 0.00 C ATOM 1342 C VAL B 46 4.856 6.796 0.734 1.00 0.00 C ATOM 1343 O VAL B 46 3.664 6.553 0.923 1.00 0.00 O ATOM 1344 CB VAL B 46 6.236 7.291 2.778 1.00 0.00 C ATOM 1345 CG1 VAL B 46 4.958 7.855 3.387 1.00 0.00 C ATOM 1346 CG2 VAL B 46 7.115 6.689 3.863 1.00 0.00 C ATOM 0 H VAL B 46 8.007 6.129 1.456 1.00 0.00 H new ATOM 0 HA VAL B 46 5.517 5.335 2.144 1.00 0.00 H new ATOM 0 HB VAL B 46 6.774 8.112 2.303 1.00 0.00 H new ATOM 0 HG11 VAL B 46 5.212 8.591 4.149 1.00 0.00 H new ATOM 0 HG12 VAL B 46 4.363 8.330 2.608 1.00 0.00 H new ATOM 0 HG13 VAL B 46 4.384 7.047 3.840 1.00 0.00 H new ATOM 0 HG21 VAL B 46 7.325 7.443 4.621 1.00 0.00 H new ATOM 0 HG22 VAL B 46 6.600 5.846 4.323 1.00 0.00 H new ATOM 0 HG23 VAL B 46 8.052 6.346 3.424 1.00 0.00 H new ATOM 1356 N HIS B 47 5.286 7.514 -0.300 1.00 0.00 N ATOM 1357 CA HIS B 47 4.358 8.106 -1.267 1.00 0.00 C ATOM 1358 C HIS B 47 3.498 7.047 -1.969 1.00 0.00 C ATOM 1359 O HIS B 47 2.453 7.365 -2.534 1.00 0.00 O ATOM 1360 CB HIS B 47 5.123 8.914 -2.316 1.00 0.00 C ATOM 1361 CG HIS B 47 4.666 10.338 -2.428 1.00 0.00 C ATOM 1362 ND1 HIS B 47 4.111 10.879 -3.568 1.00 0.00 N ATOM 1363 CD2 HIS B 47 4.683 11.339 -1.511 1.00 0.00 C ATOM 1364 CE1 HIS B 47 3.813 12.160 -3.315 1.00 0.00 C ATOM 1365 NE2 HIS B 47 4.141 12.489 -2.081 1.00 0.00 N ATOM 0 H HIS B 47 6.270 7.702 -0.492 1.00 0.00 H new ATOM 0 HA HIS B 47 3.693 8.763 -0.706 1.00 0.00 H new ATOM 0 HB2 HIS B 47 6.185 8.900 -2.070 1.00 0.00 H new ATOM 0 HB3 HIS B 47 5.015 8.429 -3.286 1.00 0.00 H new ATOM 0 HD2 HIS B 47 5.057 11.257 -0.501 1.00 0.00 H new ATOM 0 HE1 HIS B 47 3.363 12.835 -4.028 1.00 0.00 H new ATOM 0 HE2 HIS B 47 4.022 13.399 -1.635 1.00 0.00 H new ATOM 1373 N ASN B 48 3.933 5.795 -1.933 1.00 0.00 N ATOM 1374 CA ASN B 48 3.189 4.718 -2.574 1.00 0.00 C ATOM 1375 C ASN B 48 2.537 3.801 -1.546 1.00 0.00 C ATOM 1376 O ASN B 48 2.276 2.628 -1.822 1.00 0.00 O ATOM 1377 CB ASN B 48 4.092 3.898 -3.496 1.00 0.00 C ATOM 1378 CG ASN B 48 4.289 4.553 -4.849 1.00 0.00 C ATOM 1379 OD1 ASN B 48 3.486 5.386 -5.275 1.00 0.00 O ATOM 1380 ND2 ASN B 48 5.346 4.165 -5.543 1.00 0.00 N ATOM 0 H ASN B 48 4.793 5.500 -1.470 1.00 0.00 H new ATOM 0 HA ASN B 48 2.404 5.183 -3.170 1.00 0.00 H new ATOM 0 HB2 ASN B 48 5.062 3.758 -3.019 1.00 0.00 H new ATOM 0 HB3 ASN B 48 3.660 2.907 -3.635 1.00 0.00 H new ATOM 0 HD21 ASN B 48 5.521 4.558 -6.468 1.00 0.00 H new ATOM 0 HD22 ASN B 48 5.986 3.473 -5.153 1.00 0.00 H new ATOM 1387 N GLY B 49 2.261 4.342 -0.370 1.00 0.00 N ATOM 1388 CA GLY B 49 1.632 3.560 0.674 1.00 0.00 C ATOM 1389 C GLY B 49 2.554 2.506 1.232 1.00 0.00 C ATOM 1390 O GLY B 49 2.186 1.335 1.323 1.00 0.00 O ATOM 0 H GLY B 49 2.461 5.310 -0.119 1.00 0.00 H new ATOM 0 HA2 GLY B 49 1.312 4.222 1.478 1.00 0.00 H new ATOM 0 HA3 GLY B 49 0.736 3.083 0.278 1.00 0.00 H new ATOM 1394 N TRP B 50 3.761 2.919 1.581 1.00 0.00 N ATOM 1395 CA TRP B 50 4.745 2.006 2.138 1.00 0.00 C ATOM 1396 C TRP B 50 5.177 2.475 3.516 1.00 0.00 C ATOM 1397 O TRP B 50 6.313 2.265 3.936 1.00 0.00 O ATOM 1398 CB TRP B 50 5.951 1.872 1.207 1.00 0.00 C ATOM 1399 CG TRP B 50 5.668 1.028 0.001 1.00 0.00 C ATOM 1400 CD1 TRP B 50 5.891 1.357 -1.304 1.00 0.00 C ATOM 1401 CD2 TRP B 50 5.098 -0.289 -0.009 1.00 0.00 C ATOM 1402 NE1 TRP B 50 5.497 0.326 -2.122 1.00 0.00 N ATOM 1403 CE2 TRP B 50 5.010 -0.693 -1.351 1.00 0.00 C ATOM 1404 CE3 TRP B 50 4.657 -1.166 0.986 1.00 0.00 C ATOM 1405 CZ2 TRP B 50 4.498 -1.933 -1.723 1.00 0.00 C ATOM 1406 CZ3 TRP B 50 4.149 -2.394 0.613 1.00 0.00 C ATOM 1407 CH2 TRP B 50 4.073 -2.768 -0.731 1.00 0.00 C ATOM 0 H TRP B 50 4.083 3.882 1.488 1.00 0.00 H new ATOM 0 HA TRP B 50 4.286 1.022 2.236 1.00 0.00 H new ATOM 0 HB2 TRP B 50 6.266 2.864 0.884 1.00 0.00 H new ATOM 0 HB3 TRP B 50 6.784 1.438 1.760 1.00 0.00 H new ATOM 0 HD1 TRP B 50 6.315 2.290 -1.644 1.00 0.00 H new ATOM 0 HE1 TRP B 50 5.558 0.321 -3.140 1.00 0.00 H new ATOM 0 HE3 TRP B 50 4.713 -0.888 2.028 1.00 0.00 H new ATOM 0 HZ2 TRP B 50 4.439 -2.224 -2.761 1.00 0.00 H new ATOM 0 HZ3 TRP B 50 3.804 -3.078 1.374 1.00 0.00 H new ATOM 0 HH2 TRP B 50 3.670 -3.736 -0.990 1.00 0.00 H new ATOM 1418 N ASP B 51 4.254 3.114 4.216 1.00 0.00 N ATOM 1419 CA ASP B 51 4.504 3.608 5.561 1.00 0.00 C ATOM 1420 C ASP B 51 4.230 2.503 6.577 1.00 0.00 C ATOM 1421 O ASP B 51 3.686 2.748 7.655 1.00 0.00 O ATOM 1422 CB ASP B 51 3.639 4.848 5.859 1.00 0.00 C ATOM 1423 CG ASP B 51 2.180 4.702 5.439 1.00 0.00 C ATOM 1424 OD1 ASP B 51 1.924 4.394 4.253 1.00 0.00 O ATOM 1425 OD2 ASP B 51 1.286 4.941 6.284 1.00 0.00 O ATOM 0 H ASP B 51 3.314 3.305 3.870 1.00 0.00 H new ATOM 0 HA ASP B 51 5.550 3.905 5.636 1.00 0.00 H new ATOM 0 HB2 ASP B 51 3.679 5.058 6.928 1.00 0.00 H new ATOM 0 HB3 ASP B 51 4.069 5.710 5.348 1.00 0.00 H new ATOM 1430 N ASP B 52 4.653 1.293 6.233 1.00 0.00 N ATOM 1431 CA ASP B 52 4.452 0.124 7.077 1.00 0.00 C ATOM 1432 C ASP B 52 5.553 -0.906 6.819 1.00 0.00 C ATOM 1433 O ASP B 52 6.384 -0.715 5.932 1.00 0.00 O ATOM 1434 CB ASP B 52 3.060 -0.467 6.802 1.00 0.00 C ATOM 1435 CG ASP B 52 3.089 -1.830 6.129 1.00 0.00 C ATOM 1436 OD1 ASP B 52 3.516 -1.926 4.963 1.00 0.00 O ATOM 1437 OD2 ASP B 52 2.679 -2.813 6.776 1.00 0.00 O ATOM 0 H ASP B 52 5.145 1.095 5.361 1.00 0.00 H new ATOM 0 HA ASP B 52 4.506 0.413 8.127 1.00 0.00 H new ATOM 0 HB2 ASP B 52 2.519 -0.550 7.745 1.00 0.00 H new ATOM 0 HB3 ASP B 52 2.500 0.225 6.173 1.00 0.00 H new ATOM 1442 N LEU B 53 5.573 -1.984 7.600 1.00 0.00 N ATOM 1443 CA LEU B 53 6.584 -3.021 7.427 1.00 0.00 C ATOM 1444 C LEU B 53 5.947 -4.382 7.141 1.00 0.00 C ATOM 1445 O LEU B 53 6.610 -5.293 6.645 1.00 0.00 O ATOM 1446 CB LEU B 53 7.473 -3.109 8.672 1.00 0.00 C ATOM 1447 CG LEU B 53 8.360 -1.886 8.923 1.00 0.00 C ATOM 1448 CD1 LEU B 53 9.144 -2.045 10.216 1.00 0.00 C ATOM 1449 CD2 LEU B 53 9.306 -1.663 7.753 1.00 0.00 C ATOM 0 H LEU B 53 4.907 -2.160 8.352 1.00 0.00 H new ATOM 0 HA LEU B 53 7.196 -2.748 6.567 1.00 0.00 H new ATOM 0 HB2 LEU B 53 6.837 -3.263 9.544 1.00 0.00 H new ATOM 0 HB3 LEU B 53 8.110 -3.989 8.583 1.00 0.00 H new ATOM 0 HG LEU B 53 7.715 -1.012 9.019 1.00 0.00 H new ATOM 0 HD11 LEU B 53 9.767 -1.165 10.374 1.00 0.00 H new ATOM 0 HD12 LEU B 53 8.451 -2.154 11.050 1.00 0.00 H new ATOM 0 HD13 LEU B 53 9.776 -2.930 10.152 1.00 0.00 H new ATOM 0 HD21 LEU B 53 9.928 -0.790 7.949 1.00 0.00 H new ATOM 0 HD22 LEU B 53 9.941 -2.540 7.626 1.00 0.00 H new ATOM 0 HD23 LEU B 53 8.728 -1.499 6.844 1.00 0.00 H new ATOM 1461 N GLU B 54 4.659 -4.509 7.427 1.00 0.00 N ATOM 1462 CA GLU B 54 3.945 -5.761 7.219 1.00 0.00 C ATOM 1463 C GLU B 54 3.601 -5.964 5.746 1.00 0.00 C ATOM 1464 O GLU B 54 3.875 -7.021 5.180 1.00 0.00 O ATOM 1465 CB GLU B 54 2.677 -5.804 8.076 1.00 0.00 C ATOM 1466 CG GLU B 54 2.958 -5.858 9.571 1.00 0.00 C ATOM 1467 CD GLU B 54 2.936 -4.491 10.232 1.00 0.00 C ATOM 1468 OE1 GLU B 54 3.886 -3.706 10.030 1.00 0.00 O ATOM 1469 OE2 GLU B 54 1.969 -4.204 10.974 1.00 0.00 O ATOM 0 H GLU B 54 4.084 -3.756 7.806 1.00 0.00 H new ATOM 0 HA GLU B 54 4.602 -6.575 7.525 1.00 0.00 H new ATOM 0 HB2 GLU B 54 2.071 -4.924 7.859 1.00 0.00 H new ATOM 0 HB3 GLU B 54 2.086 -6.675 7.793 1.00 0.00 H new ATOM 0 HG2 GLU B 54 2.218 -6.499 10.051 1.00 0.00 H new ATOM 0 HG3 GLU B 54 3.932 -6.318 9.735 1.00 0.00 H new ATOM 1476 N PHE B 55 3.014 -4.951 5.122 1.00 0.00 N ATOM 1477 CA PHE B 55 2.654 -5.041 3.711 1.00 0.00 C ATOM 1478 C PHE B 55 3.919 -4.953 2.864 1.00 0.00 C ATOM 1479 O PHE B 55 4.015 -5.553 1.792 1.00 0.00 O ATOM 1480 CB PHE B 55 1.670 -3.928 3.329 1.00 0.00 C ATOM 1481 CG PHE B 55 0.689 -4.321 2.257 1.00 0.00 C ATOM 1482 CD1 PHE B 55 0.985 -4.126 0.917 1.00 0.00 C ATOM 1483 CD2 PHE B 55 -0.533 -4.883 2.593 1.00 0.00 C ATOM 1484 CE1 PHE B 55 0.083 -4.484 -0.068 1.00 0.00 C ATOM 1485 CE2 PHE B 55 -1.440 -5.244 1.612 1.00 0.00 C ATOM 1486 CZ PHE B 55 -1.132 -5.044 0.280 1.00 0.00 C ATOM 0 H PHE B 55 2.778 -4.063 5.566 1.00 0.00 H new ATOM 0 HA PHE B 55 2.162 -5.996 3.527 1.00 0.00 H new ATOM 0 HB2 PHE B 55 1.118 -3.624 4.218 1.00 0.00 H new ATOM 0 HB3 PHE B 55 2.234 -3.059 2.991 1.00 0.00 H new ATOM 0 HD1 PHE B 55 1.932 -3.689 0.639 1.00 0.00 H new ATOM 0 HD2 PHE B 55 -0.780 -5.041 3.632 1.00 0.00 H new ATOM 0 HE1 PHE B 55 0.327 -4.326 -1.108 1.00 0.00 H new ATOM 0 HE2 PHE B 55 -2.388 -5.682 1.887 1.00 0.00 H new ATOM 0 HZ PHE B 55 -1.839 -5.324 -0.487 1.00 0.00 H new ATOM 1496 N LEU B 56 4.900 -4.217 3.380 1.00 0.00 N ATOM 1497 CA LEU B 56 6.185 -4.039 2.710 1.00 0.00 C ATOM 1498 C LEU B 56 6.962 -5.355 2.649 1.00 0.00 C ATOM 1499 O LEU B 56 7.916 -5.490 1.884 1.00 0.00 O ATOM 1500 CB LEU B 56 7.010 -2.974 3.442 1.00 0.00 C ATOM 1501 CG LEU B 56 8.368 -2.639 2.818 1.00 0.00 C ATOM 1502 CD1 LEU B 56 8.191 -1.885 1.509 1.00 0.00 C ATOM 1503 CD2 LEU B 56 9.212 -1.829 3.789 1.00 0.00 C ATOM 0 H LEU B 56 4.827 -3.728 4.272 1.00 0.00 H new ATOM 0 HA LEU B 56 5.996 -3.711 1.688 1.00 0.00 H new ATOM 0 HB2 LEU B 56 6.421 -2.059 3.497 1.00 0.00 H new ATOM 0 HB3 LEU B 56 7.174 -3.309 4.466 1.00 0.00 H new ATOM 0 HG LEU B 56 8.885 -3.574 2.604 1.00 0.00 H new ATOM 0 HD11 LEU B 56 9.169 -1.658 1.085 1.00 0.00 H new ATOM 0 HD12 LEU B 56 7.625 -2.500 0.809 1.00 0.00 H new ATOM 0 HD13 LEU B 56 7.652 -0.956 1.694 1.00 0.00 H new ATOM 0 HD21 LEU B 56 10.174 -1.599 3.331 1.00 0.00 H new ATOM 0 HD22 LEU B 56 8.695 -0.901 4.034 1.00 0.00 H new ATOM 0 HD23 LEU B 56 9.373 -2.406 4.700 1.00 0.00 H new ATOM 1515 N SER B 57 6.538 -6.328 3.448 1.00 0.00 N ATOM 1516 CA SER B 57 7.194 -7.628 3.489 1.00 0.00 C ATOM 1517 C SER B 57 7.035 -8.378 2.164 1.00 0.00 C ATOM 1518 O SER B 57 7.834 -9.255 1.841 1.00 0.00 O ATOM 1519 CB SER B 57 6.631 -8.468 4.638 1.00 0.00 C ATOM 1520 OG SER B 57 6.967 -7.906 5.898 1.00 0.00 O ATOM 0 H SER B 57 5.740 -6.240 4.078 1.00 0.00 H new ATOM 0 HA SER B 57 8.258 -7.459 3.654 1.00 0.00 H new ATOM 0 HB2 SER B 57 5.547 -8.536 4.545 1.00 0.00 H new ATOM 0 HB3 SER B 57 7.021 -9.484 4.574 1.00 0.00 H new ATOM 0 HG SER B 57 6.723 -6.957 5.908 1.00 0.00 H new ATOM 1526 N ASP B 58 6.012 -8.022 1.395 1.00 0.00 N ATOM 1527 CA ASP B 58 5.770 -8.671 0.112 1.00 0.00 C ATOM 1528 C ASP B 58 5.696 -7.634 -1.003 1.00 0.00 C ATOM 1529 O ASP B 58 4.673 -7.479 -1.670 1.00 0.00 O ATOM 1530 CB ASP B 58 4.485 -9.503 0.156 1.00 0.00 C ATOM 1531 CG ASP B 58 4.358 -10.438 -1.035 1.00 0.00 C ATOM 1532 OD1 ASP B 58 5.375 -10.698 -1.716 1.00 0.00 O ATOM 1533 OD2 ASP B 58 3.236 -10.923 -1.296 1.00 0.00 O ATOM 0 H ASP B 58 5.341 -7.292 1.636 1.00 0.00 H new ATOM 0 HA ASP B 58 6.603 -9.343 -0.093 1.00 0.00 H new ATOM 0 HB2 ASP B 58 4.465 -10.087 1.076 1.00 0.00 H new ATOM 0 HB3 ASP B 58 3.624 -8.835 0.183 1.00 0.00 H new ATOM 1538 N ILE B 59 6.789 -6.911 -1.183 1.00 0.00 N ATOM 1539 CA ILE B 59 6.868 -5.889 -2.211 1.00 0.00 C ATOM 1540 C ILE B 59 7.481 -6.473 -3.482 1.00 0.00 C ATOM 1541 O ILE B 59 8.255 -7.430 -3.425 1.00 0.00 O ATOM 1542 CB ILE B 59 7.698 -4.671 -1.730 1.00 0.00 C ATOM 1543 CG1 ILE B 59 7.555 -3.499 -2.705 1.00 0.00 C ATOM 1544 CG2 ILE B 59 9.165 -5.048 -1.561 1.00 0.00 C ATOM 1545 CD1 ILE B 59 8.273 -2.244 -2.257 1.00 0.00 C ATOM 0 H ILE B 59 7.638 -7.015 -0.627 1.00 0.00 H new ATOM 0 HA ILE B 59 5.856 -5.544 -2.424 1.00 0.00 H new ATOM 0 HB ILE B 59 7.311 -4.360 -0.760 1.00 0.00 H new ATOM 0 HG12 ILE B 59 7.940 -3.799 -3.679 1.00 0.00 H new ATOM 0 HG13 ILE B 59 6.497 -3.274 -2.836 1.00 0.00 H new ATOM 0 HG21 ILE B 59 9.728 -4.178 -1.223 1.00 0.00 H new ATOM 0 HG22 ILE B 59 9.253 -5.846 -0.824 1.00 0.00 H new ATOM 0 HG23 ILE B 59 9.565 -5.390 -2.515 1.00 0.00 H new ATOM 0 HD11 ILE B 59 8.127 -1.457 -2.997 1.00 0.00 H new ATOM 0 HD12 ILE B 59 7.872 -1.918 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE B 59 9.338 -2.451 -2.153 1.00 0.00 H new ATOM 1557 N THR B 60 7.112 -5.924 -4.627 1.00 0.00 N ATOM 1558 CA THR B 60 7.645 -6.387 -5.892 1.00 0.00 C ATOM 1559 C THR B 60 8.751 -5.453 -6.359 1.00 0.00 C ATOM 1560 O THR B 60 8.859 -4.322 -5.876 1.00 0.00 O ATOM 1561 CB THR B 60 6.546 -6.460 -6.973 1.00 0.00 C ATOM 1562 OG1 THR B 60 5.824 -5.222 -7.028 1.00 0.00 O ATOM 1563 CG2 THR B 60 5.581 -7.602 -6.690 1.00 0.00 C ATOM 0 H THR B 60 6.445 -5.156 -4.704 1.00 0.00 H new ATOM 0 HA THR B 60 8.044 -7.390 -5.740 1.00 0.00 H new ATOM 0 HB THR B 60 7.028 -6.641 -7.934 1.00 0.00 H new ATOM 0 HG1 THR B 60 5.130 -5.278 -7.718 1.00 0.00 H new ATOM 0 HG21 THR B 60 4.816 -7.633 -7.466 1.00 0.00 H new ATOM 0 HG22 THR B 60 6.127 -8.546 -6.681 1.00 0.00 H new ATOM 0 HG23 THR B 60 5.108 -7.447 -5.720 1.00 0.00 H new ATOM 1571 N GLU B 61 9.579 -5.917 -7.286 1.00 0.00 N ATOM 1572 CA GLU B 61 10.654 -5.091 -7.813 1.00 0.00 C ATOM 1573 C GLU B 61 10.071 -3.915 -8.586 1.00 0.00 C ATOM 1574 O GLU B 61 10.684 -2.852 -8.679 1.00 0.00 O ATOM 1575 CB GLU B 61 11.576 -5.903 -8.720 1.00 0.00 C ATOM 1576 CG GLU B 61 12.587 -6.747 -7.966 1.00 0.00 C ATOM 1577 CD GLU B 61 13.738 -7.176 -8.846 1.00 0.00 C ATOM 1578 OE1 GLU B 61 14.559 -6.314 -9.216 1.00 0.00 O ATOM 1579 OE2 GLU B 61 13.822 -8.372 -9.183 1.00 0.00 O ATOM 0 H GLU B 61 9.527 -6.854 -7.685 1.00 0.00 H new ATOM 0 HA GLU B 61 11.242 -4.719 -6.974 1.00 0.00 H new ATOM 0 HB2 GLU B 61 10.970 -6.554 -9.349 1.00 0.00 H new ATOM 0 HB3 GLU B 61 12.108 -5.223 -9.385 1.00 0.00 H new ATOM 0 HG2 GLU B 61 12.971 -6.180 -7.118 1.00 0.00 H new ATOM 0 HG3 GLU B 61 12.092 -7.630 -7.561 1.00 0.00 H new ATOM 1586 N GLU B 62 8.875 -4.122 -9.123 1.00 0.00 N ATOM 1587 CA GLU B 62 8.183 -3.094 -9.885 1.00 0.00 C ATOM 1588 C GLU B 62 7.752 -1.961 -8.967 1.00 0.00 C ATOM 1589 O GLU B 62 7.933 -0.788 -9.286 1.00 0.00 O ATOM 1590 CB GLU B 62 6.955 -3.682 -10.580 1.00 0.00 C ATOM 1591 CG GLU B 62 7.187 -5.061 -11.173 1.00 0.00 C ATOM 1592 CD GLU B 62 5.922 -5.886 -11.222 1.00 0.00 C ATOM 1593 OE1 GLU B 62 5.074 -5.739 -10.316 1.00 0.00 O ATOM 1594 OE2 GLU B 62 5.770 -6.688 -12.168 1.00 0.00 O ATOM 0 H GLU B 62 8.362 -5.000 -9.043 1.00 0.00 H new ATOM 0 HA GLU B 62 8.868 -2.706 -10.639 1.00 0.00 H new ATOM 0 HB2 GLU B 62 6.136 -3.738 -9.863 1.00 0.00 H new ATOM 0 HB3 GLU B 62 6.639 -3.004 -11.373 1.00 0.00 H new ATOM 0 HG2 GLU B 62 7.589 -4.957 -12.181 1.00 0.00 H new ATOM 0 HG3 GLU B 62 7.938 -5.586 -10.582 1.00 0.00 H new ATOM 1601 N ASP B 63 7.176 -2.325 -7.823 1.00 0.00 N ATOM 1602 CA ASP B 63 6.716 -1.336 -6.851 1.00 0.00 C ATOM 1603 C ASP B 63 7.850 -0.406 -6.440 1.00 0.00 C ATOM 1604 O ASP B 63 7.650 0.802 -6.336 1.00 0.00 O ATOM 1605 CB ASP B 63 6.099 -2.005 -5.627 1.00 0.00 C ATOM 1606 CG ASP B 63 4.731 -1.436 -5.312 1.00 0.00 C ATOM 1607 OD1 ASP B 63 4.646 -0.416 -4.598 1.00 0.00 O ATOM 1608 OD2 ASP B 63 3.725 -2.008 -5.787 1.00 0.00 O ATOM 0 H ASP B 63 7.017 -3.294 -7.547 1.00 0.00 H new ATOM 0 HA ASP B 63 5.942 -0.739 -7.332 1.00 0.00 H new ATOM 0 HB2 ASP B 63 6.016 -3.078 -5.801 1.00 0.00 H new ATOM 0 HB3 ASP B 63 6.756 -1.871 -4.768 1.00 0.00 H new ATOM 1613 N LEU B 64 9.036 -0.965 -6.187 1.00 0.00 N ATOM 1614 CA LEU B 64 10.198 -0.154 -5.839 1.00 0.00 C ATOM 1615 C LEU B 64 10.462 0.862 -6.944 1.00 0.00 C ATOM 1616 O LEU B 64 10.584 2.059 -6.685 1.00 0.00 O ATOM 1617 CB LEU B 64 11.423 -1.049 -5.642 1.00 0.00 C ATOM 1618 CG LEU B 64 11.419 -1.886 -4.365 1.00 0.00 C ATOM 1619 CD1 LEU B 64 12.490 -2.962 -4.431 1.00 0.00 C ATOM 1620 CD2 LEU B 64 11.631 -0.994 -3.150 1.00 0.00 C ATOM 0 H LEU B 64 9.213 -1.969 -6.217 1.00 0.00 H new ATOM 0 HA LEU B 64 10.000 0.375 -4.907 1.00 0.00 H new ATOM 0 HB2 LEU B 64 11.504 -1.720 -6.497 1.00 0.00 H new ATOM 0 HB3 LEU B 64 12.315 -0.422 -5.644 1.00 0.00 H new ATOM 0 HG LEU B 64 10.449 -2.374 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU B 64 12.473 -3.549 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU B 64 12.298 -3.615 -5.283 1.00 0.00 H new ATOM 0 HD13 LEU B 64 13.468 -2.495 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.626 -1.603 -2.246 1.00 0.00 H new ATOM 0 HD22 LEU B 64 12.589 -0.482 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU B 64 10.830 -0.257 -3.095 1.00 0.00 H new ATOM 1632 N GLU B 65 10.603 0.352 -8.163 1.00 0.00 N ATOM 1633 CA GLU B 65 10.802 1.183 -9.348 1.00 0.00 C ATOM 1634 C GLU B 65 9.787 2.334 -9.384 1.00 0.00 C ATOM 1635 O GLU B 65 10.159 3.490 -9.589 1.00 0.00 O ATOM 1636 CB GLU B 65 10.702 0.299 -10.606 1.00 0.00 C ATOM 1637 CG GLU B 65 9.883 0.884 -11.751 1.00 0.00 C ATOM 1638 CD GLU B 65 10.687 1.803 -12.645 1.00 0.00 C ATOM 1639 OE1 GLU B 65 11.668 1.333 -13.257 1.00 0.00 O ATOM 1640 OE2 GLU B 65 10.331 2.994 -12.751 1.00 0.00 O ATOM 0 H GLU B 65 10.583 -0.649 -8.359 1.00 0.00 H new ATOM 0 HA GLU B 65 11.794 1.635 -9.315 1.00 0.00 H new ATOM 0 HB2 GLU B 65 11.710 0.097 -10.969 1.00 0.00 H new ATOM 0 HB3 GLU B 65 10.267 -0.659 -10.323 1.00 0.00 H new ATOM 0 HG2 GLU B 65 9.474 0.071 -12.350 1.00 0.00 H new ATOM 0 HG3 GLU B 65 9.037 1.435 -11.340 1.00 0.00 H new ATOM 1647 N GLU B 66 8.515 2.015 -9.145 1.00 0.00 N ATOM 1648 CA GLU B 66 7.440 3.011 -9.146 1.00 0.00 C ATOM 1649 C GLU B 66 7.584 4.030 -8.007 1.00 0.00 C ATOM 1650 O GLU B 66 6.879 5.042 -7.977 1.00 0.00 O ATOM 1651 CB GLU B 66 6.083 2.304 -9.051 1.00 0.00 C ATOM 1652 CG GLU B 66 5.748 1.464 -10.275 1.00 0.00 C ATOM 1653 CD GLU B 66 4.559 0.542 -10.061 1.00 0.00 C ATOM 1654 OE1 GLU B 66 3.759 0.789 -9.138 1.00 0.00 O ATOM 1655 OE2 GLU B 66 4.419 -0.445 -10.819 1.00 0.00 O ATOM 0 H GLU B 66 8.200 1.065 -8.946 1.00 0.00 H new ATOM 0 HA GLU B 66 7.507 3.566 -10.082 1.00 0.00 H new ATOM 0 HB2 GLU B 66 6.077 1.664 -8.169 1.00 0.00 H new ATOM 0 HB3 GLU B 66 5.302 3.051 -8.908 1.00 0.00 H new ATOM 0 HG2 GLU B 66 5.540 2.126 -11.116 1.00 0.00 H new ATOM 0 HG3 GLU B 66 6.618 0.867 -10.547 1.00 0.00 H new ATOM 1662 N ALA B 67 8.483 3.756 -7.069 1.00 0.00 N ATOM 1663 CA ALA B 67 8.722 4.655 -5.946 1.00 0.00 C ATOM 1664 C ALA B 67 10.002 5.459 -6.162 1.00 0.00 C ATOM 1665 O ALA B 67 10.382 6.284 -5.330 1.00 0.00 O ATOM 1666 CB ALA B 67 8.802 3.872 -4.645 1.00 0.00 C ATOM 0 H ALA B 67 9.060 2.915 -7.064 1.00 0.00 H new ATOM 0 HA ALA B 67 7.886 5.351 -5.882 1.00 0.00 H new ATOM 0 HB1 ALA B 67 8.981 4.559 -3.818 1.00 0.00 H new ATOM 0 HB2 ALA B 67 7.864 3.342 -4.481 1.00 0.00 H new ATOM 0 HB3 ALA B 67 9.619 3.153 -4.703 1.00 0.00 H new ATOM 1672 N GLY B 68 10.668 5.207 -7.281 1.00 0.00 N ATOM 1673 CA GLY B 68 11.893 5.917 -7.590 1.00 0.00 C ATOM 1674 C GLY B 68 13.123 5.035 -7.490 1.00 0.00 C ATOM 1675 O GLY B 68 14.207 5.419 -7.928 1.00 0.00 O ATOM 0 H GLY B 68 10.381 4.523 -7.981 1.00 0.00 H new ATOM 0 HA2 GLY B 68 11.826 6.327 -8.598 1.00 0.00 H new ATOM 0 HA3 GLY B 68 12.000 6.761 -6.909 1.00 0.00 H new ATOM 1679 N VAL B 69 12.960 3.849 -6.923 1.00 0.00 N ATOM 1680 CA VAL B 69 14.072 2.923 -6.771 1.00 0.00 C ATOM 1681 C VAL B 69 14.272 2.124 -8.056 1.00 0.00 C ATOM 1682 O VAL B 69 13.915 0.951 -8.141 1.00 0.00 O ATOM 1683 CB VAL B 69 13.857 1.957 -5.586 1.00 0.00 C ATOM 1684 CG1 VAL B 69 15.133 1.187 -5.271 1.00 0.00 C ATOM 1685 CG2 VAL B 69 13.371 2.711 -4.356 1.00 0.00 C ATOM 0 H VAL B 69 12.070 3.506 -6.561 1.00 0.00 H new ATOM 0 HA VAL B 69 14.964 3.515 -6.565 1.00 0.00 H new ATOM 0 HB VAL B 69 13.090 1.239 -5.874 1.00 0.00 H new ATOM 0 HG11 VAL B 69 14.954 0.514 -4.433 1.00 0.00 H new ATOM 0 HG12 VAL B 69 15.433 0.607 -6.144 1.00 0.00 H new ATOM 0 HG13 VAL B 69 15.926 1.888 -5.011 1.00 0.00 H new ATOM 0 HG21 VAL B 69 13.226 2.011 -3.533 1.00 0.00 H new ATOM 0 HG22 VAL B 69 14.112 3.458 -4.071 1.00 0.00 H new ATOM 0 HG23 VAL B 69 12.426 3.205 -4.582 1.00 0.00 H new ATOM 1695 N GLN B 70 14.831 2.782 -9.061 1.00 0.00 N ATOM 1696 CA GLN B 70 15.079 2.152 -10.353 1.00 0.00 C ATOM 1697 C GLN B 70 16.485 1.567 -10.414 1.00 0.00 C ATOM 1698 O GLN B 70 16.901 1.020 -11.434 1.00 0.00 O ATOM 1699 CB GLN B 70 14.893 3.172 -11.475 1.00 0.00 C ATOM 1700 CG GLN B 70 13.496 3.761 -11.524 1.00 0.00 C ATOM 1701 CD GLN B 70 13.347 4.839 -12.577 1.00 0.00 C ATOM 1702 OE1 GLN B 70 14.291 5.572 -12.879 1.00 0.00 O ATOM 1703 NE2 GLN B 70 12.164 4.934 -13.155 1.00 0.00 N ATOM 0 H GLN B 70 15.123 3.758 -9.007 1.00 0.00 H new ATOM 0 HA GLN B 70 14.363 1.340 -10.479 1.00 0.00 H new ATOM 0 HB2 GLN B 70 15.616 3.978 -11.347 1.00 0.00 H new ATOM 0 HB3 GLN B 70 15.113 2.695 -12.430 1.00 0.00 H new ATOM 0 HG2 GLN B 70 12.778 2.965 -11.722 1.00 0.00 H new ATOM 0 HG3 GLN B 70 13.248 4.177 -10.548 1.00 0.00 H new ATOM 0 HE21 GLN B 70 11.408 4.308 -12.876 1.00 0.00 H new ATOM 0 HE22 GLN B 70 12.005 5.633 -13.880 1.00 0.00 H new ATOM 1712 N ASP B 71 17.210 1.681 -9.312 1.00 0.00 N ATOM 1713 CA ASP B 71 18.571 1.172 -9.243 1.00 0.00 C ATOM 1714 C ASP B 71 18.577 -0.316 -8.901 1.00 0.00 C ATOM 1715 O ASP B 71 17.936 -0.742 -7.939 1.00 0.00 O ATOM 1716 CB ASP B 71 19.379 1.955 -8.210 1.00 0.00 C ATOM 1717 CG ASP B 71 20.798 1.443 -8.094 1.00 0.00 C ATOM 1718 OD1 ASP B 71 21.627 1.785 -8.959 1.00 0.00 O ATOM 1719 OD2 ASP B 71 21.084 0.698 -7.139 1.00 0.00 O ATOM 0 H ASP B 71 16.879 2.121 -8.454 1.00 0.00 H new ATOM 0 HA ASP B 71 19.033 1.301 -10.222 1.00 0.00 H new ATOM 0 HB2 ASP B 71 19.395 3.009 -8.486 1.00 0.00 H new ATOM 0 HB3 ASP B 71 18.889 1.887 -7.239 1.00 0.00 H new ATOM 1724 N PRO B 72 19.304 -1.124 -9.690 1.00 0.00 N ATOM 1725 CA PRO B 72 19.389 -2.574 -9.486 1.00 0.00 C ATOM 1726 C PRO B 72 19.990 -2.955 -8.134 1.00 0.00 C ATOM 1727 O PRO B 72 19.484 -3.853 -7.456 1.00 0.00 O ATOM 1728 CB PRO B 72 20.292 -3.054 -10.631 1.00 0.00 C ATOM 1729 CG PRO B 72 21.025 -1.841 -11.088 1.00 0.00 C ATOM 1730 CD PRO B 72 20.098 -0.685 -10.850 1.00 0.00 C ATOM 0 HA PRO B 72 18.399 -3.031 -9.486 1.00 0.00 H new ATOM 0 HB2 PRO B 72 20.982 -3.826 -10.290 1.00 0.00 H new ATOM 0 HB3 PRO B 72 19.704 -3.487 -11.441 1.00 0.00 H new ATOM 0 HG2 PRO B 72 21.956 -1.716 -10.535 1.00 0.00 H new ATOM 0 HG3 PRO B 72 21.289 -1.919 -12.143 1.00 0.00 H new ATOM 0 HD2 PRO B 72 20.646 0.233 -10.639 1.00 0.00 H new ATOM 0 HD3 PRO B 72 19.468 -0.488 -11.718 1.00 0.00 H new ATOM 1738 N ALA B 73 21.059 -2.269 -7.738 1.00 0.00 N ATOM 1739 CA ALA B 73 21.726 -2.550 -6.474 1.00 0.00 C ATOM 1740 C ALA B 73 20.810 -2.274 -5.289 1.00 0.00 C ATOM 1741 O ALA B 73 20.668 -3.112 -4.400 1.00 0.00 O ATOM 1742 CB ALA B 73 23.005 -1.733 -6.359 1.00 0.00 C ATOM 0 H ALA B 73 21.481 -1.513 -8.277 1.00 0.00 H new ATOM 0 HA ALA B 73 21.981 -3.610 -6.458 1.00 0.00 H new ATOM 0 HB1 ALA B 73 23.493 -1.953 -5.410 1.00 0.00 H new ATOM 0 HB2 ALA B 73 23.675 -1.989 -7.180 1.00 0.00 H new ATOM 0 HB3 ALA B 73 22.764 -0.671 -6.405 1.00 0.00 H new ATOM 1748 N HIS B 74 20.180 -1.106 -5.292 1.00 0.00 N ATOM 1749 CA HIS B 74 19.281 -0.713 -4.210 1.00 0.00 C ATOM 1750 C HIS B 74 18.087 -1.655 -4.102 1.00 0.00 C ATOM 1751 O HIS B 74 17.639 -1.968 -2.998 1.00 0.00 O ATOM 1752 CB HIS B 74 18.811 0.729 -4.398 1.00 0.00 C ATOM 1753 CG HIS B 74 19.861 1.735 -4.043 1.00 0.00 C ATOM 1754 ND1 HIS B 74 20.937 2.037 -4.846 1.00 0.00 N ATOM 1755 CD2 HIS B 74 19.997 2.504 -2.935 1.00 0.00 C ATOM 1756 CE1 HIS B 74 21.679 2.954 -4.218 1.00 0.00 C ATOM 1757 NE2 HIS B 74 21.151 3.275 -3.052 1.00 0.00 N ATOM 0 H HIS B 74 20.274 -0.411 -6.033 1.00 0.00 H new ATOM 0 HA HIS B 74 19.840 -0.780 -3.277 1.00 0.00 H new ATOM 0 HB2 HIS B 74 18.511 0.876 -5.436 1.00 0.00 H new ATOM 0 HB3 HIS B 74 17.928 0.901 -3.783 1.00 0.00 H new ATOM 0 HD1 HIS B 74 21.134 1.632 -5.761 1.00 0.00 H new ATOM 0 HD2 HIS B 74 19.318 2.517 -2.095 1.00 0.00 H new ATOM 0 HE1 HIS B 74 22.591 3.377 -4.613 1.00 0.00 H new ATOM 1765 N LYS B 75 17.575 -2.108 -5.241 1.00 0.00 N ATOM 1766 CA LYS B 75 16.447 -3.033 -5.244 1.00 0.00 C ATOM 1767 C LYS B 75 16.857 -4.345 -4.588 1.00 0.00 C ATOM 1768 O LYS B 75 16.234 -4.791 -3.624 1.00 0.00 O ATOM 1769 CB LYS B 75 15.955 -3.294 -6.668 1.00 0.00 C ATOM 1770 CG LYS B 75 15.128 -2.158 -7.253 1.00 0.00 C ATOM 1771 CD LYS B 75 14.413 -2.588 -8.524 1.00 0.00 C ATOM 1772 CE LYS B 75 15.398 -2.929 -9.630 1.00 0.00 C ATOM 1773 NZ LYS B 75 14.906 -4.035 -10.490 1.00 0.00 N ATOM 0 H LYS B 75 17.919 -1.853 -6.167 1.00 0.00 H new ATOM 0 HA LYS B 75 15.631 -2.582 -4.679 1.00 0.00 H new ATOM 0 HB2 LYS B 75 16.816 -3.473 -7.312 1.00 0.00 H new ATOM 0 HB3 LYS B 75 15.358 -4.206 -6.674 1.00 0.00 H new ATOM 0 HG2 LYS B 75 14.396 -1.823 -6.518 1.00 0.00 H new ATOM 0 HG3 LYS B 75 15.776 -1.308 -7.468 1.00 0.00 H new ATOM 0 HD2 LYS B 75 13.786 -3.454 -8.314 1.00 0.00 H new ATOM 0 HD3 LYS B 75 13.751 -1.789 -8.858 1.00 0.00 H new ATOM 0 HE2 LYS B 75 15.576 -2.045 -10.242 1.00 0.00 H new ATOM 0 HE3 LYS B 75 16.355 -3.210 -9.190 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 15.359 -3.976 -11.424 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 15.139 -4.948 -10.049 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 13.875 -3.957 -10.600 1.00 0.00 H new ATOM 1787 N ARG B 76 17.903 -4.959 -5.138 1.00 0.00 N ATOM 1788 CA ARG B 76 18.433 -6.210 -4.601 1.00 0.00 C ATOM 1789 C ARG B 76 18.747 -6.063 -3.112 1.00 0.00 C ATOM 1790 O ARG B 76 18.425 -6.942 -2.312 1.00 0.00 O ATOM 1791 CB ARG B 76 19.687 -6.637 -5.375 1.00 0.00 C ATOM 1792 CG ARG B 76 20.374 -7.870 -4.802 1.00 0.00 C ATOM 1793 CD ARG B 76 19.542 -9.129 -4.998 1.00 0.00 C ATOM 1794 NE ARG B 76 19.980 -10.213 -4.117 1.00 0.00 N ATOM 1795 CZ ARG B 76 20.225 -11.460 -4.523 1.00 0.00 C ATOM 1796 NH1 ARG B 76 20.068 -11.798 -5.797 1.00 0.00 N ATOM 1797 NH2 ARG B 76 20.626 -12.373 -3.650 1.00 0.00 N ATOM 0 H ARG B 76 18.401 -4.609 -5.957 1.00 0.00 H new ATOM 0 HA ARG B 76 17.675 -6.984 -4.718 1.00 0.00 H new ATOM 0 HB2 ARG B 76 19.413 -6.834 -6.411 1.00 0.00 H new ATOM 0 HB3 ARG B 76 20.396 -5.809 -5.385 1.00 0.00 H new ATOM 0 HG2 ARG B 76 21.345 -7.999 -5.280 1.00 0.00 H new ATOM 0 HG3 ARG B 76 20.560 -7.720 -3.738 1.00 0.00 H new ATOM 0 HD2 ARG B 76 18.493 -8.905 -4.805 1.00 0.00 H new ATOM 0 HD3 ARG B 76 19.613 -9.453 -6.036 1.00 0.00 H new ATOM 0 HE ARG B 76 20.106 -10.001 -3.127 1.00 0.00 H new ATOM 0 HH11 ARG B 76 19.758 -11.102 -6.475 1.00 0.00 H new ATOM 0 HH12 ARG B 76 20.258 -12.754 -6.098 1.00 0.00 H new ATOM 0 HH21 ARG B 76 20.747 -12.122 -2.669 1.00 0.00 H new ATOM 0 HH22 ARG B 76 20.814 -13.327 -3.959 1.00 0.00 H new ATOM 1811 N LEU B 77 19.370 -4.942 -2.749 1.00 0.00 N ATOM 1812 CA LEU B 77 19.718 -4.664 -1.362 1.00 0.00 C ATOM 1813 C LEU B 77 18.478 -4.677 -0.473 1.00 0.00 C ATOM 1814 O LEU B 77 18.469 -5.317 0.579 1.00 0.00 O ATOM 1815 CB LEU B 77 20.423 -3.306 -1.251 1.00 0.00 C ATOM 1816 CG LEU B 77 21.708 -3.291 -0.414 1.00 0.00 C ATOM 1817 CD1 LEU B 77 21.426 -3.702 1.022 1.00 0.00 C ATOM 1818 CD2 LEU B 77 22.759 -4.200 -1.032 1.00 0.00 C ATOM 0 H LEU B 77 19.644 -4.209 -3.404 1.00 0.00 H new ATOM 0 HA LEU B 77 20.395 -5.448 -1.022 1.00 0.00 H new ATOM 0 HB2 LEU B 77 20.662 -2.958 -2.256 1.00 0.00 H new ATOM 0 HB3 LEU B 77 19.724 -2.588 -0.823 1.00 0.00 H new ATOM 0 HG LEU B 77 22.094 -2.272 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU B 77 22.353 -3.683 1.595 1.00 0.00 H new ATOM 0 HD12 LEU B 77 20.712 -3.008 1.465 1.00 0.00 H new ATOM 0 HD13 LEU B 77 21.011 -4.710 1.037 1.00 0.00 H new ATOM 0 HD21 LEU B 77 23.663 -4.176 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU B 77 22.378 -5.220 -1.075 1.00 0.00 H new ATOM 0 HD23 LEU B 77 22.990 -3.856 -2.040 1.00 0.00 H new ATOM 1830 N LEU B 78 17.433 -3.977 -0.900 1.00 0.00 N ATOM 1831 CA LEU B 78 16.194 -3.916 -0.135 1.00 0.00 C ATOM 1832 C LEU B 78 15.596 -5.313 0.019 1.00 0.00 C ATOM 1833 O LEU B 78 15.214 -5.712 1.118 1.00 0.00 O ATOM 1834 CB LEU B 78 15.192 -2.974 -0.807 1.00 0.00 C ATOM 1835 CG LEU B 78 14.084 -2.439 0.106 1.00 0.00 C ATOM 1836 CD1 LEU B 78 13.901 -0.944 -0.099 1.00 0.00 C ATOM 1837 CD2 LEU B 78 12.777 -3.175 -0.148 1.00 0.00 C ATOM 0 H LEU B 78 17.419 -3.445 -1.770 1.00 0.00 H new ATOM 0 HA LEU B 78 16.419 -3.524 0.857 1.00 0.00 H new ATOM 0 HB2 LEU B 78 15.737 -2.127 -1.224 1.00 0.00 H new ATOM 0 HB3 LEU B 78 14.730 -3.498 -1.643 1.00 0.00 H new ATOM 0 HG LEU B 78 14.379 -2.613 1.141 1.00 0.00 H new ATOM 0 HD11 LEU B 78 13.110 -0.581 0.557 1.00 0.00 H new ATOM 0 HD12 LEU B 78 14.832 -0.428 0.135 1.00 0.00 H new ATOM 0 HD13 LEU B 78 13.629 -0.750 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU B 78 12.003 -2.780 0.510 1.00 0.00 H new ATOM 0 HD22 LEU B 78 12.476 -3.035 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU B 78 12.914 -4.238 0.050 1.00 0.00 H new ATOM 1849 N LEU B 79 15.515 -6.042 -1.092 1.00 0.00 N ATOM 1850 CA LEU B 79 14.986 -7.407 -1.088 1.00 0.00 C ATOM 1851 C LEU B 79 15.735 -8.282 -0.084 1.00 0.00 C ATOM 1852 O LEU B 79 15.125 -9.027 0.687 1.00 0.00 O ATOM 1853 CB LEU B 79 15.089 -8.015 -2.490 1.00 0.00 C ATOM 1854 CG LEU B 79 13.808 -7.958 -3.332 1.00 0.00 C ATOM 1855 CD1 LEU B 79 13.317 -6.527 -3.487 1.00 0.00 C ATOM 1856 CD2 LEU B 79 14.047 -8.585 -4.696 1.00 0.00 C ATOM 0 H LEU B 79 15.810 -5.710 -2.010 1.00 0.00 H new ATOM 0 HA LEU B 79 13.938 -7.365 -0.790 1.00 0.00 H new ATOM 0 HB2 LEU B 79 15.882 -7.501 -3.032 1.00 0.00 H new ATOM 0 HB3 LEU B 79 15.393 -9.057 -2.393 1.00 0.00 H new ATOM 0 HG LEU B 79 13.036 -8.525 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU B 79 12.408 -6.517 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU B 79 13.106 -6.106 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU B 79 14.084 -5.930 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU B 79 13.130 -8.538 -5.284 1.00 0.00 H new ATOM 0 HD22 LEU B 79 14.838 -8.041 -5.213 1.00 0.00 H new ATOM 0 HD23 LEU B 79 14.345 -9.626 -4.571 1.00 0.00 H new ATOM 1868 N ASP B 80 17.058 -8.177 -0.091 1.00 0.00 N ATOM 1869 CA ASP B 80 17.896 -8.947 0.822 1.00 0.00 C ATOM 1870 C ASP B 80 17.658 -8.517 2.265 1.00 0.00 C ATOM 1871 O ASP B 80 17.599 -9.352 3.172 1.00 0.00 O ATOM 1872 CB ASP B 80 19.376 -8.778 0.475 1.00 0.00 C ATOM 1873 CG ASP B 80 19.914 -9.927 -0.355 1.00 0.00 C ATOM 1874 OD1 ASP B 80 20.002 -11.058 0.169 1.00 0.00 O ATOM 1875 OD2 ASP B 80 20.261 -9.706 -1.532 1.00 0.00 O ATOM 0 H ASP B 80 17.576 -7.564 -0.721 1.00 0.00 H new ATOM 0 HA ASP B 80 17.625 -9.997 0.715 1.00 0.00 H new ATOM 0 HB2 ASP B 80 19.513 -7.845 -0.071 1.00 0.00 H new ATOM 0 HB3 ASP B 80 19.954 -8.697 1.395 1.00 0.00 H new ATOM 1880 N THR B 81 17.509 -7.212 2.467 1.00 0.00 N ATOM 1881 CA THR B 81 17.275 -6.657 3.794 1.00 0.00 C ATOM 1882 C THR B 81 15.926 -7.109 4.350 1.00 0.00 C ATOM 1883 O THR B 81 15.802 -7.399 5.544 1.00 0.00 O ATOM 1884 CB THR B 81 17.336 -5.116 3.771 1.00 0.00 C ATOM 1885 OG1 THR B 81 18.561 -4.689 3.164 1.00 0.00 O ATOM 1886 CG2 THR B 81 17.241 -4.542 5.178 1.00 0.00 C ATOM 0 H THR B 81 17.547 -6.516 1.723 1.00 0.00 H new ATOM 0 HA THR B 81 18.066 -7.030 4.444 1.00 0.00 H new ATOM 0 HB THR B 81 16.488 -4.751 3.191 1.00 0.00 H new ATOM 0 HG1 THR B 81 18.451 -4.659 2.191 1.00 0.00 H new ATOM 0 HG21 THR B 81 17.287 -3.454 5.131 1.00 0.00 H new ATOM 0 HG22 THR B 81 16.298 -4.846 5.632 1.00 0.00 H new ATOM 0 HG23 THR B 81 18.070 -4.914 5.780 1.00 0.00 H new ATOM 1894 N LEU B 82 14.922 -7.176 3.480 1.00 0.00 N ATOM 1895 CA LEU B 82 13.587 -7.607 3.881 1.00 0.00 C ATOM 1896 C LEU B 82 13.637 -8.999 4.490 1.00 0.00 C ATOM 1897 O LEU B 82 13.086 -9.235 5.563 1.00 0.00 O ATOM 1898 CB LEU B 82 12.633 -7.602 2.685 1.00 0.00 C ATOM 1899 CG LEU B 82 12.003 -6.250 2.352 1.00 0.00 C ATOM 1900 CD1 LEU B 82 11.257 -6.329 1.032 1.00 0.00 C ATOM 1901 CD2 LEU B 82 11.064 -5.807 3.465 1.00 0.00 C ATOM 0 H LEU B 82 15.008 -6.937 2.492 1.00 0.00 H new ATOM 0 HA LEU B 82 13.218 -6.904 4.628 1.00 0.00 H new ATOM 0 HB2 LEU B 82 13.175 -7.956 1.808 1.00 0.00 H new ATOM 0 HB3 LEU B 82 11.834 -8.318 2.877 1.00 0.00 H new ATOM 0 HG LEU B 82 12.799 -5.511 2.261 1.00 0.00 H new ATOM 0 HD11 LEU B 82 10.813 -5.359 0.806 1.00 0.00 H new ATOM 0 HD12 LEU B 82 11.951 -6.604 0.238 1.00 0.00 H new ATOM 0 HD13 LEU B 82 10.471 -7.081 1.103 1.00 0.00 H new ATOM 0 HD21 LEU B 82 10.626 -4.842 3.209 1.00 0.00 H new ATOM 0 HD22 LEU B 82 10.271 -6.545 3.587 1.00 0.00 H new ATOM 0 HD23 LEU B 82 11.622 -5.716 4.397 1.00 0.00 H new ATOM 1913 N GLN B 83 14.315 -9.913 3.808 1.00 0.00 N ATOM 1914 CA GLN B 83 14.440 -11.281 4.290 1.00 0.00 C ATOM 1915 C GLN B 83 15.286 -11.328 5.557 1.00 0.00 C ATOM 1916 O GLN B 83 14.983 -12.079 6.482 1.00 0.00 O ATOM 1917 CB GLN B 83 15.041 -12.181 3.211 1.00 0.00 C ATOM 1918 CG GLN B 83 14.171 -12.291 1.970 1.00 0.00 C ATOM 1919 CD GLN B 83 14.578 -13.437 1.068 1.00 0.00 C ATOM 1920 OE1 GLN B 83 15.753 -13.793 0.985 1.00 0.00 O ATOM 1921 NE2 GLN B 83 13.607 -14.027 0.390 1.00 0.00 N ATOM 0 H GLN B 83 14.786 -9.732 2.921 1.00 0.00 H new ATOM 0 HA GLN B 83 13.443 -11.651 4.528 1.00 0.00 H new ATOM 0 HB2 GLN B 83 16.020 -11.794 2.928 1.00 0.00 H new ATOM 0 HB3 GLN B 83 15.200 -13.177 3.625 1.00 0.00 H new ATOM 0 HG2 GLN B 83 13.132 -12.423 2.271 1.00 0.00 H new ATOM 0 HG3 GLN B 83 14.225 -11.357 1.410 1.00 0.00 H new ATOM 0 HE21 GLN B 83 12.646 -13.701 0.488 1.00 0.00 H new ATOM 0 HE22 GLN B 83 13.820 -14.808 -0.230 1.00 0.00 H new ATOM 1930 N LEU B 84 16.359 -10.536 5.584 1.00 0.00 N ATOM 1931 CA LEU B 84 17.243 -10.459 6.746 1.00 0.00 C ATOM 1932 C LEU B 84 16.480 -10.050 8.008 1.00 0.00 C ATOM 1933 O LEU B 84 16.853 -10.434 9.118 1.00 0.00 O ATOM 1934 CB LEU B 84 18.363 -9.449 6.472 1.00 0.00 C ATOM 1935 CG LEU B 84 19.474 -9.395 7.523 1.00 0.00 C ATOM 1936 CD1 LEU B 84 20.472 -10.518 7.298 1.00 0.00 C ATOM 1937 CD2 LEU B 84 20.172 -8.044 7.491 1.00 0.00 C ATOM 0 H LEU B 84 16.637 -9.935 4.808 1.00 0.00 H new ATOM 0 HA LEU B 84 17.665 -11.450 6.915 1.00 0.00 H new ATOM 0 HB2 LEU B 84 18.811 -9.683 5.507 1.00 0.00 H new ATOM 0 HB3 LEU B 84 17.920 -8.457 6.385 1.00 0.00 H new ATOM 0 HG LEU B 84 19.025 -9.526 8.508 1.00 0.00 H new ATOM 0 HD11 LEU B 84 21.256 -10.465 8.054 1.00 0.00 H new ATOM 0 HD12 LEU B 84 19.962 -11.478 7.371 1.00 0.00 H new ATOM 0 HD13 LEU B 84 20.916 -10.417 6.308 1.00 0.00 H new ATOM 0 HD21 LEU B 84 20.959 -8.023 8.245 1.00 0.00 H new ATOM 0 HD22 LEU B 84 20.609 -7.884 6.505 1.00 0.00 H new ATOM 0 HD23 LEU B 84 19.449 -7.256 7.700 1.00 0.00 H new ATOM 1949 N SER B 85 15.427 -9.264 7.830 1.00 0.00 N ATOM 1950 CA SER B 85 14.618 -8.806 8.953 1.00 0.00 C ATOM 1951 C SER B 85 13.467 -9.777 9.216 1.00 0.00 C ATOM 1952 O SER B 85 13.275 -10.230 10.346 1.00 0.00 O ATOM 1953 CB SER B 85 14.083 -7.401 8.668 1.00 0.00 C ATOM 1954 OG SER B 85 15.108 -6.564 8.150 1.00 0.00 O ATOM 0 H SER B 85 15.112 -8.930 6.919 1.00 0.00 H new ATOM 0 HA SER B 85 15.242 -8.771 9.846 1.00 0.00 H new ATOM 0 HB2 SER B 85 13.260 -7.458 7.956 1.00 0.00 H new ATOM 0 HB3 SER B 85 13.682 -6.967 9.584 1.00 0.00 H new ATOM 0 HG SER B 85 15.312 -6.829 7.229 1.00 0.00 H new ATOM 1960 N LYS B 86 12.720 -10.091 8.157 1.00 0.00 N ATOM 1961 CA LYS B 86 11.587 -11.012 8.229 1.00 0.00 C ATOM 1962 C LYS B 86 10.558 -10.550 9.263 1.00 0.00 C ATOM 1963 O LYS B 86 10.394 -11.237 10.295 1.00 0.00 O ATOM 1964 CB LYS B 86 12.071 -12.431 8.551 1.00 0.00 C ATOM 1965 CG LYS B 86 11.012 -13.503 8.336 1.00 0.00 C ATOM 1966 CD LYS B 86 10.939 -14.459 9.516 1.00 0.00 C ATOM 1967 CE LYS B 86 9.507 -14.641 9.999 1.00 0.00 C ATOM 1968 NZ LYS B 86 8.904 -13.364 10.473 1.00 0.00 N ATOM 1969 OXT LYS B 86 9.912 -9.509 9.031 1.00 0.00 O ATOM 0 H LYS B 86 12.884 -9.713 7.224 1.00 0.00 H new ATOM 0 HA LYS B 86 11.100 -11.020 7.254 1.00 0.00 H new ATOM 0 HB2 LYS B 86 12.937 -12.659 7.930 1.00 0.00 H new ATOM 0 HB3 LYS B 86 12.404 -12.465 9.588 1.00 0.00 H new ATOM 0 HG2 LYS B 86 10.040 -13.032 8.188 1.00 0.00 H new ATOM 0 HG3 LYS B 86 11.237 -14.061 7.427 1.00 0.00 H new ATOM 0 HD2 LYS B 86 11.353 -15.426 9.229 1.00 0.00 H new ATOM 0 HD3 LYS B 86 11.554 -14.079 10.332 1.00 0.00 H new ATOM 0 HE2 LYS B 86 8.902 -15.048 9.189 1.00 0.00 H new ATOM 0 HE3 LYS B 86 9.489 -15.371 10.808 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 8.509 -13.499 11.425 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 9.635 -12.625 10.503 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 8.146 -13.075 9.822 1.00 0.00 H new TER 1983 LYS B 86