USER MOD reduce.3.24.130724 H: found=0, std=0, add=1644, rem=0, adj=72 USER MOD reduce.3.24.130724 removed 1644 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 GLN : amide:sc= -0.926 K(o=-4.4,f=-4.9!) USER MOD Set 1.2: B 92 HIS : no HE2:sc= -3.45! C(o=-4.4!,f=-10!) USER MOD Set 2.1: B 35 SER OG : rot 180:sc=-0.00471 USER MOD Set 2.2: B 74 GLN : amide:sc= -1.91! C(o=-1.9!,f=-5.1!) USER MOD Set 3.1: B 43 MET CE :methyl -118:sc= -0.153 (180deg=-0.694) USER MOD Set 3.2: B 51 THR OG1 : rot 135:sc= 0.458 USER MOD Set 3.3: B 63 MET CE :methyl -144:sc= -0.0969 (180deg=-0.512) USER MOD Set 4.1: B 24 TYR OH : rot -91:sc= 1.23 USER MOD Set 4.2: B 45 THR OG1 : rot -74:sc= 2.34 USER MOD Set 5.1: B 44 ASN : amide:sc= 1.24 K(o=2.2,f=-6!) USER MOD Set 5.2: B 52 LYS NZ :NH3+ -139:sc= 1 (180deg=0) USER MOD Set 6.1: A 101 SER OG : rot -27:sc= 0.166 USER MOD Set 6.2: B 32 TYR OH : rot 180:sc= 0.153 USER MOD Set 7.1: A 92 HIS : no HE2:sc= -3.55! C(o=-4.5!,f=-11!) USER MOD Set 7.2: B 22 GLN : amide:sc= -0.949 K(o=-4.5,f=-5.1!) USER MOD Set 8.1: A 43 MET CE :methyl -123:sc= -0.267 (180deg=-0.757) USER MOD Set 8.2: A 51 THR OG1 : rot 135:sc= 0.491 USER MOD Set 8.3: A 63 MET CE :methyl -147:sc= -0.0926 (180deg=-0.545) USER MOD Set 9.1: A 24 TYR OH : rot -104:sc= 1.22 USER MOD Set 9.2: A 45 THR OG1 : rot -86:sc= 2.21 USER MOD Set10.1: A 44 ASN : amide:sc= 1.12 K(o=2.1,f=-6.3!) USER MOD Set10.2: A 52 LYS NZ :NH3+ -139:sc= 1.02 (180deg=0) USER MOD Set11.1: A 35 SER OG : rot 180:sc=-0.00485 USER MOD Set11.2: A 74 GLN : amide:sc= -1.81! C(o=-1.8!,f=-5.1!) USER MOD Set12.1: A 32 TYR OH : rot 180:sc= 0.155 USER MOD Set12.2: B 101 SER OG : rot -28:sc= 0.166 USER MOD Set13.1: A 13 CYS SG : rot 26:sc= -5.12! USER MOD Set13.2: B 13 CYS SG : rot 78:sc= -4.47! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.0186 (180deg=-0.0792) USER MOD Single : A 3 LYS NZ :NH3+ 153:sc= 0.0583 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -161:sc= -1.87! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 81:sc= 1.57 USER MOD Single : A 23 LYS NZ :NH3+ 159:sc= 1.27 (180deg=1.1) USER MOD Single : A 27 LYS NZ :NH3+ 146:sc= 0.27 (180deg=0.00485) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.023 K(o=-0.023,f=-3.3!) USER MOD Single : A 33 THR OG1 : rot -160:sc= -0.023 USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= 1.17 (180deg=0.804) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 76:sc= 0.679 USER MOD Single : A 53 ASN : amide:sc= -0.0304 K(o=-0.03,f=-0.65) USER MOD Single : A 54 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.8) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -110:sc= -1.4 (180deg=-3.97!) USER MOD Single : A 65 LYS NZ :NH3+ 151:sc= 1.28 (180deg=1.16) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 26:sc= 1.24 USER MOD Single : A 82 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.5!) USER MOD Single : A 89 MET CE :methyl -172:sc= -0.0277 (180deg=-0.231) USER MOD Single : A 91 CYS SG : rot 160:sc= -0.193 USER MOD Single : A 94 SER OG : rot 71:sc= 1.2 USER MOD Single : A 97 LYS NZ :NH3+ -152:sc= -0.209 (180deg=-0.706) USER MOD Single : A 102 GLN : amide:sc= -0.0813 K(o=-0.081,f=-1) USER MOD Single : A 103 LYS NZ :NH3+ 160:sc= 0.858 (180deg=0.648) USER MOD Single : A 105 THR OG1 : rot 47:sc= 0.0909 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 175:sc= -0.0339 (180deg=-0.086) USER MOD Single : B 3 LYS NZ :NH3+ 153:sc= 0.0568 (180deg=0) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 8 THR OG1 : rot -160:sc= -1.82! USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot 71:sc= 1.51 USER MOD Single : B 23 LYS NZ :NH3+ 151:sc= 1.28 (180deg=1.16) USER MOD Single : B 27 LYS NZ :NH3+ 146:sc= 0.253 (180deg=0.0037) USER MOD Single : B 30 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 ASN : amide:sc= -0.0136 K(o=-0.014,f=-3!) USER MOD Single : B 33 THR OG1 : rot -160:sc= -0.0179 USER MOD Single : B 36 LYS NZ :NH3+ -161:sc= 1.18 (180deg=0.862) USER MOD Single : B 37 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 77:sc= 0.716 USER MOD Single : B 53 ASN : amide:sc= -0.0349 K(o=-0.035,f=-0.6) USER MOD Single : B 54 GLN : amide:sc= -0.114 K(o=-0.11,f=-0.78) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 MET CE :methyl -108:sc= -1.38 (180deg=-3.98!) USER MOD Single : B 65 LYS NZ :NH3+ 177:sc= 1.29 (180deg=1.21) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD Single : B 78 SER OG : rot 29:sc= 1.25 USER MOD Single : B 82 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.4!) USER MOD Single : B 89 MET CE :methyl -172:sc= -0.0336 (180deg=-0.232) USER MOD Single : B 91 CYS SG : rot 160:sc= -0.386 USER MOD Single : B 94 SER OG : rot 56:sc= 1.27 USER MOD Single : B 97 LYS NZ :NH3+ -154:sc= -0.166 (180deg=-0.767) USER MOD Single : B 102 GLN : amide:sc= -0.0874 K(o=-0.087,f=-1) USER MOD Single : B 103 LYS NZ :NH3+ 161:sc= 0.87 (180deg=0.627) USER MOD Single : B 105 THR OG1 : rot 50:sc= 0.125 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.002 9.201 25.046 1.00 7.63 N ATOM 2 CA MET A 1 -11.470 9.541 23.707 1.00 7.05 C ATOM 3 C MET A 1 -11.663 8.375 22.741 1.00 6.84 C ATOM 4 O MET A 1 -10.961 7.363 22.806 1.00 7.12 O ATOM 5 CB MET A 1 -9.987 9.933 23.794 1.00 7.11 C ATOM 6 CG MET A 1 -9.109 8.903 24.487 1.00 7.39 C ATOM 7 SD MET A 1 -7.369 9.364 24.493 1.00 7.66 S ATOM 8 CE MET A 1 -6.647 7.941 25.306 1.00 7.91 C ATOM 0 H1 MET A 1 -11.772 9.963 25.715 1.00 7.63 H new ATOM 0 H2 MET A 1 -13.034 9.088 24.991 1.00 7.63 H new ATOM 0 H3 MET A 1 -11.574 8.312 25.374 1.00 7.63 H new ATOM 0 HA MET A 1 -12.026 10.398 23.326 1.00 7.05 H new ATOM 0 HB2 MET A 1 -9.607 10.098 22.786 1.00 7.11 H new ATOM 0 HB3 MET A 1 -9.904 10.881 24.325 1.00 7.11 H new ATOM 0 HG2 MET A 1 -9.450 8.773 25.514 1.00 7.39 H new ATOM 0 HG3 MET A 1 -9.224 7.940 23.989 1.00 7.39 H new ATOM 0 HE1 MET A 1 -5.568 8.076 25.386 1.00 7.91 H new ATOM 0 HE2 MET A 1 -7.074 7.836 26.303 1.00 7.91 H new ATOM 0 HE3 MET A 1 -6.859 7.044 24.725 1.00 7.91 H new ATOM 20 N ALA A 2 -12.632 8.514 21.853 1.00 6.67 N ATOM 21 CA ALA A 2 -12.934 7.473 20.885 1.00 6.74 C ATOM 22 C ALA A 2 -12.046 7.603 19.656 1.00 6.14 C ATOM 23 O ALA A 2 -11.593 6.607 19.093 1.00 6.28 O ATOM 24 CB ALA A 2 -14.400 7.533 20.489 1.00 7.31 C ATOM 0 H ALA A 2 -13.225 9.341 21.782 1.00 6.67 H new ATOM 0 HA ALA A 2 -12.735 6.506 21.347 1.00 6.74 H new ATOM 0 HB1 ALA A 2 -14.613 6.748 19.763 1.00 7.31 H new ATOM 0 HB2 ALA A 2 -15.022 7.389 21.373 1.00 7.31 H new ATOM 0 HB3 ALA A 2 -14.618 8.505 20.046 1.00 7.31 H new ATOM 30 N LYS A 3 -11.785 8.839 19.257 1.00 5.79 N ATOM 31 CA LYS A 3 -10.990 9.106 18.069 1.00 5.52 C ATOM 32 C LYS A 3 -9.511 9.226 18.433 1.00 5.00 C ATOM 33 O LYS A 3 -8.925 10.308 18.381 1.00 5.14 O ATOM 34 CB LYS A 3 -11.489 10.386 17.386 1.00 6.00 C ATOM 35 CG LYS A 3 -10.850 10.669 16.031 1.00 6.27 C ATOM 36 CD LYS A 3 -11.135 9.561 15.029 1.00 6.96 C ATOM 37 CE LYS A 3 -10.605 9.912 13.648 1.00 7.45 C ATOM 38 NZ LYS A 3 -10.794 8.802 12.678 1.00 7.92 N ATOM 0 H LYS A 3 -12.114 9.675 19.741 1.00 5.79 H new ATOM 0 HA LYS A 3 -11.100 8.274 17.373 1.00 5.52 H new ATOM 0 HB2 LYS A 3 -12.569 10.317 17.257 1.00 6.00 H new ATOM 0 HB3 LYS A 3 -11.301 11.232 18.046 1.00 6.00 H new ATOM 0 HG2 LYS A 3 -11.226 11.616 15.643 1.00 6.27 H new ATOM 0 HG3 LYS A 3 -9.773 10.780 16.153 1.00 6.27 H new ATOM 0 HD2 LYS A 3 -10.677 8.633 15.371 1.00 6.96 H new ATOM 0 HD3 LYS A 3 -12.209 9.385 14.974 1.00 6.96 H new ATOM 0 HE2 LYS A 3 -11.113 10.804 13.281 1.00 7.45 H new ATOM 0 HE3 LYS A 3 -9.545 10.155 13.718 1.00 7.45 H new ATOM 0 HZ1 LYS A 3 -10.863 9.190 11.716 1.00 7.92 H new ATOM 0 HZ2 LYS A 3 -9.984 8.152 12.732 1.00 7.92 H new ATOM 0 HZ3 LYS A 3 -11.668 8.286 12.906 1.00 7.92 H new ATOM 52 N ILE A 4 -8.916 8.107 18.821 1.00 4.74 N ATOM 53 CA ILE A 4 -7.502 8.076 19.170 1.00 4.41 C ATOM 54 C ILE A 4 -6.648 7.925 17.919 1.00 3.66 C ATOM 55 O ILE A 4 -5.471 8.287 17.904 1.00 3.90 O ATOM 56 CB ILE A 4 -7.175 6.932 20.155 1.00 5.14 C ATOM 57 CG1 ILE A 4 -7.590 5.578 19.571 1.00 5.77 C ATOM 58 CG2 ILE A 4 -7.861 7.174 21.491 1.00 5.58 C ATOM 59 CD1 ILE A 4 -7.201 4.398 20.436 1.00 6.53 C ATOM 0 H ILE A 4 -9.390 7.208 18.902 1.00 4.74 H new ATOM 0 HA ILE A 4 -7.273 9.022 19.660 1.00 4.41 H new ATOM 0 HB ILE A 4 -6.097 6.914 20.317 1.00 5.14 H new ATOM 0 HG12 ILE A 4 -8.670 5.570 19.426 1.00 5.77 H new ATOM 0 HG13 ILE A 4 -7.135 5.462 18.587 1.00 5.77 H new ATOM 0 HG21 ILE A 4 -7.622 6.360 22.175 1.00 5.58 H new ATOM 0 HG22 ILE A 4 -7.513 8.117 21.913 1.00 5.58 H new ATOM 0 HG23 ILE A 4 -8.940 7.219 21.343 1.00 5.58 H new ATOM 0 HD11 ILE A 4 -7.527 3.474 19.959 1.00 6.53 H new ATOM 0 HD12 ILE A 4 -6.118 4.379 20.561 1.00 6.53 H new ATOM 0 HD13 ILE A 4 -7.677 4.490 21.412 1.00 6.53 H new ATOM 71 N SER A 5 -7.252 7.395 16.869 1.00 3.24 N ATOM 72 CA SER A 5 -6.564 7.202 15.611 1.00 2.93 C ATOM 73 C SER A 5 -7.028 8.229 14.590 1.00 2.01 C ATOM 74 O SER A 5 -8.092 8.082 13.982 1.00 2.25 O ATOM 75 CB SER A 5 -6.818 5.787 15.087 1.00 3.70 C ATOM 76 OG SER A 5 -6.431 4.813 16.044 1.00 4.46 O ATOM 0 H SER A 5 -8.225 7.090 16.867 1.00 3.24 H new ATOM 0 HA SER A 5 -5.494 7.333 15.774 1.00 2.93 H new ATOM 0 HB2 SER A 5 -7.875 5.668 14.849 1.00 3.70 H new ATOM 0 HB3 SER A 5 -6.263 5.633 14.161 1.00 3.70 H new ATOM 0 HG SER A 5 -6.604 3.917 15.687 1.00 4.46 H new ATOM 82 N SER A 6 -6.246 9.293 14.436 1.00 1.51 N ATOM 83 CA SER A 6 -6.498 10.279 13.398 1.00 1.03 C ATOM 84 C SER A 6 -6.486 9.612 12.016 1.00 0.82 C ATOM 85 O SER A 6 -7.392 9.844 11.214 1.00 0.85 O ATOM 86 CB SER A 6 -5.474 11.416 13.474 1.00 1.67 C ATOM 87 OG SER A 6 -5.474 12.007 14.765 1.00 2.25 O ATOM 0 H SER A 6 -5.433 9.492 15.019 1.00 1.51 H new ATOM 0 HA SER A 6 -7.486 10.710 13.557 1.00 1.03 H new ATOM 0 HB2 SER A 6 -4.480 11.032 13.244 1.00 1.67 H new ATOM 0 HB3 SER A 6 -5.706 12.171 12.723 1.00 1.67 H new ATOM 0 HG SER A 6 -4.813 12.730 14.794 1.00 2.25 H new ATOM 93 N PRO A 7 -5.470 8.774 11.702 1.00 0.69 N ATOM 94 CA PRO A 7 -5.497 7.941 10.503 1.00 0.54 C ATOM 95 C PRO A 7 -6.222 6.628 10.760 1.00 0.44 C ATOM 96 O PRO A 7 -6.263 6.136 11.890 1.00 0.56 O ATOM 97 CB PRO A 7 -4.019 7.677 10.264 1.00 0.61 C ATOM 98 CG PRO A 7 -3.491 7.521 11.639 1.00 0.75 C ATOM 99 CD PRO A 7 -4.203 8.573 12.451 1.00 0.82 C ATOM 0 HA PRO A 7 -6.014 8.410 9.666 1.00 0.54 H new ATOM 0 HB2 PRO A 7 -3.859 6.781 9.665 1.00 0.61 H new ATOM 0 HB3 PRO A 7 -3.540 8.502 9.737 1.00 0.61 H new ATOM 0 HG2 PRO A 7 -3.689 6.522 12.027 1.00 0.75 H new ATOM 0 HG3 PRO A 7 -2.411 7.665 11.666 1.00 0.75 H new ATOM 0 HD2 PRO A 7 -4.387 8.239 13.472 1.00 0.82 H new ATOM 0 HD3 PRO A 7 -3.623 9.493 12.516 1.00 0.82 H new ATOM 107 N THR A 8 -6.803 6.070 9.722 1.00 0.34 N ATOM 108 CA THR A 8 -7.424 4.769 9.828 1.00 0.27 C ATOM 109 C THR A 8 -6.392 3.693 9.558 1.00 0.28 C ATOM 110 O THR A 8 -5.221 4.001 9.358 1.00 0.35 O ATOM 111 CB THR A 8 -8.567 4.624 8.828 1.00 0.28 C ATOM 112 OG1 THR A 8 -8.028 4.547 7.507 1.00 0.36 O ATOM 113 CG2 THR A 8 -9.514 5.802 8.949 1.00 0.32 C ATOM 0 H THR A 8 -6.859 6.495 8.797 1.00 0.34 H new ATOM 0 HA THR A 8 -7.826 4.664 10.836 1.00 0.27 H new ATOM 0 HB THR A 8 -9.126 3.712 9.039 1.00 0.28 H new ATOM 0 HG1 THR A 8 -8.731 4.749 6.855 1.00 0.36 H new ATOM 0 HG21 THR A 8 -10.327 5.690 8.232 1.00 0.32 H new ATOM 0 HG22 THR A 8 -9.923 5.838 9.959 1.00 0.32 H new ATOM 0 HG23 THR A 8 -8.973 6.726 8.744 1.00 0.32 H new ATOM 121 N GLU A 9 -6.819 2.450 9.509 1.00 0.28 N ATOM 122 CA GLU A 9 -5.897 1.340 9.310 1.00 0.33 C ATOM 123 C GLU A 9 -5.193 1.432 7.950 1.00 0.36 C ATOM 124 O GLU A 9 -4.016 1.090 7.827 1.00 0.52 O ATOM 125 CB GLU A 9 -6.647 0.023 9.460 1.00 0.40 C ATOM 126 CG GLU A 9 -5.763 -1.200 9.369 1.00 0.56 C ATOM 127 CD GLU A 9 -6.283 -2.355 10.194 1.00 1.73 C ATOM 128 OE1 GLU A 9 -7.508 -2.581 10.205 1.00 2.47 O ATOM 129 OE2 GLU A 9 -5.463 -3.040 10.839 1.00 2.48 O ATOM 0 H GLU A 9 -7.797 2.177 9.604 1.00 0.28 H new ATOM 0 HA GLU A 9 -5.118 1.390 10.071 1.00 0.33 H new ATOM 0 HB2 GLU A 9 -7.161 0.017 10.421 1.00 0.40 H new ATOM 0 HB3 GLU A 9 -7.414 -0.037 8.688 1.00 0.40 H new ATOM 0 HG2 GLU A 9 -5.683 -1.509 8.327 1.00 0.56 H new ATOM 0 HG3 GLU A 9 -4.758 -0.943 9.703 1.00 0.56 H new ATOM 136 N THR A 10 -5.893 1.931 6.941 1.00 0.26 N ATOM 137 CA THR A 10 -5.290 2.112 5.626 1.00 0.27 C ATOM 138 C THR A 10 -4.442 3.365 5.600 1.00 0.27 C ATOM 139 O THR A 10 -3.372 3.380 5.007 1.00 0.31 O ATOM 140 CB THR A 10 -6.335 2.155 4.479 1.00 0.27 C ATOM 141 OG1 THR A 10 -5.894 3.026 3.432 1.00 0.40 O ATOM 142 CG2 THR A 10 -7.698 2.606 4.980 1.00 0.25 C ATOM 0 H THR A 10 -6.870 2.216 7.005 1.00 0.26 H new ATOM 0 HA THR A 10 -4.662 1.239 5.452 1.00 0.27 H new ATOM 0 HB THR A 10 -6.433 1.142 4.090 1.00 0.27 H new ATOM 0 HG1 THR A 10 -6.563 3.041 2.716 1.00 0.40 H new ATOM 0 HG21 THR A 10 -8.403 2.624 4.149 1.00 0.25 H new ATOM 0 HG22 THR A 10 -8.053 1.913 5.743 1.00 0.25 H new ATOM 0 HG23 THR A 10 -7.616 3.605 5.408 1.00 0.25 H new ATOM 150 N GLU A 11 -4.895 4.403 6.273 1.00 0.25 N ATOM 151 CA GLU A 11 -4.168 5.656 6.283 1.00 0.27 C ATOM 152 C GLU A 11 -2.877 5.515 7.069 1.00 0.30 C ATOM 153 O GLU A 11 -1.831 6.011 6.659 1.00 0.32 O ATOM 154 CB GLU A 11 -5.033 6.760 6.861 1.00 0.29 C ATOM 155 CG GLU A 11 -6.408 6.800 6.233 1.00 0.41 C ATOM 156 CD GLU A 11 -7.247 7.962 6.716 1.00 1.11 C ATOM 157 OE1 GLU A 11 -7.262 8.221 7.938 1.00 1.71 O ATOM 158 OE2 GLU A 11 -7.892 8.618 5.878 1.00 1.85 O ATOM 0 H GLU A 11 -5.758 4.405 6.817 1.00 0.25 H new ATOM 0 HA GLU A 11 -3.913 5.921 5.257 1.00 0.27 H new ATOM 0 HB2 GLU A 11 -5.131 6.616 7.937 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.540 7.721 6.712 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -6.304 6.860 5.150 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -6.928 5.868 6.452 1.00 0.41 H new ATOM 165 N ARG A 12 -2.949 4.802 8.182 1.00 0.35 N ATOM 166 CA ARG A 12 -1.766 4.540 8.982 1.00 0.42 C ATOM 167 C ARG A 12 -0.837 3.599 8.234 1.00 0.43 C ATOM 168 O ARG A 12 0.377 3.660 8.394 1.00 0.47 O ATOM 169 CB ARG A 12 -2.133 3.991 10.374 1.00 0.48 C ATOM 170 CG ARG A 12 -2.852 2.645 10.396 1.00 0.49 C ATOM 171 CD ARG A 12 -1.905 1.482 10.160 1.00 0.56 C ATOM 172 NE ARG A 12 -2.513 0.197 10.507 1.00 1.08 N ATOM 173 CZ ARG A 12 -2.506 -0.324 11.736 1.00 1.35 C ATOM 174 NH1 ARG A 12 -1.897 0.313 12.729 1.00 1.86 N ATOM 175 NH2 ARG A 12 -3.103 -1.486 11.966 1.00 1.95 N ATOM 0 H ARG A 12 -3.810 4.397 8.549 1.00 0.35 H new ATOM 0 HA ARG A 12 -1.243 5.482 9.148 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -1.218 3.901 10.960 1.00 0.48 H new ATOM 0 HB3 ARG A 12 -2.763 4.725 10.877 1.00 0.48 H new ATOM 0 HG2 ARG A 12 -3.349 2.517 11.358 1.00 0.49 H new ATOM 0 HG3 ARG A 12 -3.629 2.638 9.632 1.00 0.49 H new ATOM 0 HD2 ARG A 12 -1.603 1.468 9.113 1.00 0.56 H new ATOM 0 HD3 ARG A 12 -1.001 1.626 10.751 1.00 0.56 H new ATOM 0 HE ARG A 12 -2.970 -0.333 9.765 1.00 1.08 H new ATOM 0 HH11 ARG A 12 -1.432 1.204 12.554 1.00 1.86 H new ATOM 0 HH12 ARG A 12 -1.894 -0.089 13.667 1.00 1.86 H new ATOM 0 HH21 ARG A 12 -3.567 -1.981 11.204 1.00 1.95 H new ATOM 0 HH22 ARG A 12 -3.098 -1.885 12.905 1.00 1.95 H new ATOM 189 N CYS A 13 -1.421 2.737 7.400 1.00 0.42 N ATOM 190 CA CYS A 13 -0.641 1.851 6.545 1.00 0.44 C ATOM 191 C CYS A 13 0.171 2.696 5.591 1.00 0.30 C ATOM 192 O CYS A 13 1.349 2.447 5.332 1.00 0.29 O ATOM 193 CB CYS A 13 -1.569 0.927 5.745 1.00 0.57 C ATOM 194 SG CYS A 13 -1.375 1.063 3.953 1.00 2.16 S ATOM 0 H CYS A 13 -2.431 2.636 7.301 1.00 0.42 H new ATOM 0 HA CYS A 13 0.015 1.236 7.161 1.00 0.44 H new ATOM 0 HB2 CYS A 13 -1.383 -0.105 6.043 1.00 0.57 H new ATOM 0 HB3 CYS A 13 -2.603 1.153 6.006 1.00 0.57 H new ATOM 0 HG CYS A 13 -0.174 1.477 3.677 1.00 2.16 H new ATOM 200 N ILE A 14 -0.489 3.719 5.107 1.00 0.26 N ATOM 201 CA ILE A 14 0.061 4.620 4.137 1.00 0.24 C ATOM 202 C ILE A 14 1.180 5.467 4.733 1.00 0.21 C ATOM 203 O ILE A 14 2.203 5.710 4.087 1.00 0.23 O ATOM 204 CB ILE A 14 -1.070 5.504 3.597 1.00 0.24 C ATOM 205 CG1 ILE A 14 -1.973 4.679 2.677 1.00 0.25 C ATOM 206 CG2 ILE A 14 -0.519 6.723 2.891 1.00 0.27 C ATOM 207 CD1 ILE A 14 -3.278 5.363 2.356 1.00 0.27 C ATOM 0 H ILE A 14 -1.443 3.949 5.385 1.00 0.26 H new ATOM 0 HA ILE A 14 0.502 4.046 3.322 1.00 0.24 H new ATOM 0 HB ILE A 14 -1.668 5.866 4.433 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -1.441 4.471 1.748 1.00 0.25 H new ATOM 0 HG13 ILE A 14 -2.180 3.718 3.148 1.00 0.25 H new ATOM 0 HG21 ILE A 14 -1.343 7.331 2.519 1.00 0.27 H new ATOM 0 HG22 ILE A 14 0.078 7.309 3.590 1.00 0.27 H new ATOM 0 HG23 ILE A 14 0.106 6.408 2.055 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -3.871 4.726 1.700 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -3.829 5.547 3.278 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -3.079 6.311 1.857 1.00 0.27 H new ATOM 219 N GLU A 15 1.005 5.877 5.979 1.00 0.24 N ATOM 220 CA GLU A 15 1.999 6.683 6.653 1.00 0.28 C ATOM 221 C GLU A 15 3.133 5.790 7.104 1.00 0.30 C ATOM 222 O GLU A 15 4.259 6.239 7.304 1.00 0.34 O ATOM 223 CB GLU A 15 1.391 7.410 7.843 1.00 0.32 C ATOM 224 CG GLU A 15 0.185 8.259 7.487 1.00 0.33 C ATOM 225 CD GLU A 15 -0.348 9.018 8.679 1.00 0.38 C ATOM 226 OE1 GLU A 15 -0.889 8.378 9.601 1.00 1.26 O ATOM 227 OE2 GLU A 15 -0.221 10.261 8.702 1.00 1.06 O ATOM 0 H GLU A 15 0.181 5.662 6.541 1.00 0.24 H new ATOM 0 HA GLU A 15 2.378 7.436 5.962 1.00 0.28 H new ATOM 0 HB2 GLU A 15 1.099 6.677 8.595 1.00 0.32 H new ATOM 0 HB3 GLU A 15 2.151 8.046 8.296 1.00 0.32 H new ATOM 0 HG2 GLU A 15 0.458 8.964 6.702 1.00 0.33 H new ATOM 0 HG3 GLU A 15 -0.601 7.620 7.084 1.00 0.33 H new ATOM 234 N SER A 16 2.817 4.514 7.257 1.00 0.31 N ATOM 235 CA SER A 16 3.823 3.514 7.525 1.00 0.38 C ATOM 236 C SER A 16 4.760 3.404 6.339 1.00 0.29 C ATOM 237 O SER A 16 5.977 3.385 6.491 1.00 0.28 O ATOM 238 CB SER A 16 3.170 2.161 7.812 1.00 0.54 C ATOM 239 OG SER A 16 2.460 2.181 9.036 1.00 0.97 O ATOM 0 H SER A 16 1.866 4.151 7.199 1.00 0.31 H new ATOM 0 HA SER A 16 4.393 3.812 8.405 1.00 0.38 H new ATOM 0 HB2 SER A 16 2.491 1.903 6.999 1.00 0.54 H new ATOM 0 HB3 SER A 16 3.935 1.386 7.846 1.00 0.54 H new ATOM 0 HG SER A 16 1.580 2.588 8.897 1.00 0.97 H new ATOM 245 N LEU A 17 4.177 3.360 5.153 1.00 0.27 N ATOM 246 CA LEU A 17 4.951 3.322 3.928 1.00 0.28 C ATOM 247 C LEU A 17 5.770 4.586 3.796 1.00 0.27 C ATOM 248 O LEU A 17 6.884 4.553 3.308 1.00 0.32 O ATOM 249 CB LEU A 17 4.028 3.163 2.733 1.00 0.29 C ATOM 250 CG LEU A 17 3.109 1.954 2.830 1.00 0.33 C ATOM 251 CD1 LEU A 17 2.124 1.918 1.677 1.00 0.33 C ATOM 252 CD2 LEU A 17 3.935 0.677 2.889 1.00 0.46 C ATOM 0 H LEU A 17 3.167 3.350 5.014 1.00 0.27 H new ATOM 0 HA LEU A 17 5.628 2.468 3.961 1.00 0.28 H new ATOM 0 HB2 LEU A 17 3.421 4.063 2.631 1.00 0.29 H new ATOM 0 HB3 LEU A 17 4.630 3.080 1.828 1.00 0.29 H new ATOM 0 HG LEU A 17 2.527 2.034 3.748 1.00 0.33 H new ATOM 0 HD11 LEU A 17 1.481 1.043 1.775 1.00 0.33 H new ATOM 0 HD12 LEU A 17 1.513 2.820 1.692 1.00 0.33 H new ATOM 0 HD13 LEU A 17 2.669 1.865 0.734 1.00 0.33 H new ATOM 0 HD21 LEU A 17 3.270 -0.184 2.958 1.00 0.46 H new ATOM 0 HD22 LEU A 17 4.542 0.595 1.988 1.00 0.46 H new ATOM 0 HD23 LEU A 17 4.585 0.704 3.763 1.00 0.46 H new ATOM 264 N ILE A 18 5.207 5.700 4.237 1.00 0.27 N ATOM 265 CA ILE A 18 5.941 6.950 4.294 1.00 0.30 C ATOM 266 C ILE A 18 7.155 6.806 5.198 1.00 0.28 C ATOM 267 O ILE A 18 8.272 7.140 4.809 1.00 0.30 O ATOM 268 CB ILE A 18 5.055 8.106 4.805 1.00 0.36 C ATOM 269 CG1 ILE A 18 3.963 8.427 3.784 1.00 0.63 C ATOM 270 CG2 ILE A 18 5.898 9.336 5.105 1.00 0.47 C ATOM 271 CD1 ILE A 18 3.049 9.551 4.209 1.00 1.37 C ATOM 0 H ILE A 18 4.242 5.762 4.561 1.00 0.27 H new ATOM 0 HA ILE A 18 6.263 7.187 3.280 1.00 0.30 H new ATOM 0 HB ILE A 18 4.576 7.794 5.733 1.00 0.36 H new ATOM 0 HG12 ILE A 18 4.431 8.689 2.835 1.00 0.63 H new ATOM 0 HG13 ILE A 18 3.367 7.532 3.609 1.00 0.63 H new ATOM 0 HG21 ILE A 18 5.255 10.139 5.464 1.00 0.47 H new ATOM 0 HG22 ILE A 18 6.636 9.094 5.869 1.00 0.47 H new ATOM 0 HG23 ILE A 18 6.408 9.658 4.197 1.00 0.47 H new ATOM 0 HD11 ILE A 18 2.300 9.723 3.436 1.00 1.37 H new ATOM 0 HD12 ILE A 18 2.553 9.284 5.142 1.00 1.37 H new ATOM 0 HD13 ILE A 18 3.633 10.459 4.356 1.00 1.37 H new ATOM 283 N ALA A 19 6.919 6.282 6.391 1.00 0.25 N ATOM 284 CA ALA A 19 7.968 6.096 7.377 1.00 0.25 C ATOM 285 C ALA A 19 9.084 5.203 6.847 1.00 0.23 C ATOM 286 O ALA A 19 10.246 5.601 6.829 1.00 0.28 O ATOM 287 CB ALA A 19 7.378 5.510 8.649 1.00 0.28 C ATOM 0 H ALA A 19 5.997 5.975 6.701 1.00 0.25 H new ATOM 0 HA ALA A 19 8.405 7.070 7.596 1.00 0.25 H new ATOM 0 HB1 ALA A 19 8.168 5.372 9.387 1.00 0.28 H new ATOM 0 HB2 ALA A 19 6.625 6.190 9.047 1.00 0.28 H new ATOM 0 HB3 ALA A 19 6.917 4.548 8.427 1.00 0.28 H new ATOM 293 N VAL A 20 8.723 4.006 6.401 1.00 0.20 N ATOM 294 CA VAL A 20 9.710 3.026 5.968 1.00 0.22 C ATOM 295 C VAL A 20 10.374 3.458 4.668 1.00 0.23 C ATOM 296 O VAL A 20 11.590 3.312 4.499 1.00 0.27 O ATOM 297 CB VAL A 20 9.084 1.618 5.810 1.00 0.27 C ATOM 298 CG1 VAL A 20 8.133 1.360 6.939 1.00 0.87 C ATOM 299 CG2 VAL A 20 8.370 1.438 4.481 1.00 0.87 C ATOM 0 H VAL A 20 7.755 3.691 6.330 1.00 0.20 H new ATOM 0 HA VAL A 20 10.472 2.970 6.745 1.00 0.22 H new ATOM 0 HB VAL A 20 9.901 0.897 5.833 1.00 0.27 H new ATOM 0 HG11 VAL A 20 7.694 0.369 6.826 1.00 0.87 H new ATOM 0 HG12 VAL A 20 8.670 1.413 7.886 1.00 0.87 H new ATOM 0 HG13 VAL A 20 7.343 2.110 6.928 1.00 0.87 H new ATOM 0 HG21 VAL A 20 7.951 0.433 4.426 1.00 0.87 H new ATOM 0 HG22 VAL A 20 7.567 2.171 4.397 1.00 0.87 H new ATOM 0 HG23 VAL A 20 9.078 1.581 3.665 1.00 0.87 H new ATOM 309 N PHE A 21 9.581 4.012 3.763 1.00 0.23 N ATOM 310 CA PHE A 21 10.117 4.452 2.481 1.00 0.25 C ATOM 311 C PHE A 21 11.121 5.571 2.678 1.00 0.29 C ATOM 312 O PHE A 21 12.256 5.477 2.236 1.00 0.35 O ATOM 313 CB PHE A 21 9.014 4.928 1.536 1.00 0.26 C ATOM 314 CG PHE A 21 9.538 5.439 0.227 1.00 0.91 C ATOM 315 CD1 PHE A 21 10.076 4.567 -0.699 1.00 1.85 C ATOM 316 CD2 PHE A 21 9.506 6.790 -0.068 1.00 1.59 C ATOM 317 CE1 PHE A 21 10.571 5.030 -1.899 1.00 2.48 C ATOM 318 CE2 PHE A 21 10.002 7.260 -1.265 1.00 2.17 C ATOM 319 CZ PHE A 21 10.534 6.378 -2.182 1.00 2.40 C ATOM 0 H PHE A 21 8.580 4.166 3.887 1.00 0.23 H new ATOM 0 HA PHE A 21 10.609 3.590 2.030 1.00 0.25 H new ATOM 0 HB2 PHE A 21 8.325 4.104 1.348 1.00 0.26 H new ATOM 0 HB3 PHE A 21 8.442 5.717 2.024 1.00 0.26 H new ATOM 0 HD1 PHE A 21 10.109 3.510 -0.480 1.00 1.85 H new ATOM 0 HD2 PHE A 21 9.088 7.484 0.647 1.00 1.59 H new ATOM 0 HE1 PHE A 21 10.987 4.338 -2.616 1.00 2.48 H new ATOM 0 HE2 PHE A 21 9.974 8.317 -1.484 1.00 2.17 H new ATOM 0 HZ PHE A 21 10.921 6.744 -3.121 1.00 2.40 H new ATOM 329 N GLN A 22 10.705 6.610 3.377 1.00 0.30 N ATOM 330 CA GLN A 22 11.489 7.826 3.481 1.00 0.37 C ATOM 331 C GLN A 22 12.694 7.668 4.401 1.00 0.36 C ATOM 332 O GLN A 22 13.627 8.468 4.338 1.00 0.44 O ATOM 333 CB GLN A 22 10.585 8.984 3.907 1.00 0.47 C ATOM 334 CG GLN A 22 9.764 9.530 2.747 1.00 1.12 C ATOM 335 CD GLN A 22 8.671 10.494 3.171 1.00 1.98 C ATOM 336 OE1 GLN A 22 7.637 10.599 2.511 1.00 2.68 O ATOM 337 NE2 GLN A 22 8.886 11.203 4.265 1.00 2.66 N ATOM 0 H GLN A 22 9.821 6.636 3.885 1.00 0.30 H new ATOM 0 HA GLN A 22 11.903 8.050 2.498 1.00 0.37 H new ATOM 0 HB2 GLN A 22 9.914 8.647 4.698 1.00 0.47 H new ATOM 0 HB3 GLN A 22 11.195 9.784 4.326 1.00 0.47 H new ATOM 0 HG2 GLN A 22 10.431 10.036 2.048 1.00 1.12 H new ATOM 0 HG3 GLN A 22 9.312 8.696 2.210 1.00 1.12 H new ATOM 0 HE21 GLN A 22 9.756 11.088 4.785 1.00 2.66 H new ATOM 0 HE22 GLN A 22 8.182 11.866 4.590 1.00 2.66 H new ATOM 346 N LYS A 23 12.695 6.645 5.249 1.00 0.35 N ATOM 347 CA LYS A 23 13.853 6.402 6.093 1.00 0.39 C ATOM 348 C LYS A 23 14.961 5.694 5.307 1.00 0.40 C ATOM 349 O LYS A 23 16.141 5.996 5.486 1.00 0.49 O ATOM 350 CB LYS A 23 13.471 5.599 7.341 1.00 0.41 C ATOM 351 CG LYS A 23 13.056 4.182 7.065 1.00 0.42 C ATOM 352 CD LYS A 23 12.393 3.581 8.278 1.00 0.63 C ATOM 353 CE LYS A 23 12.423 2.078 8.199 1.00 0.63 C ATOM 354 NZ LYS A 23 11.693 1.427 9.316 1.00 0.91 N ATOM 0 H LYS A 23 11.925 5.986 5.368 1.00 0.35 H new ATOM 0 HA LYS A 23 14.234 7.369 6.423 1.00 0.39 H new ATOM 0 HB2 LYS A 23 14.319 5.589 8.026 1.00 0.41 H new ATOM 0 HB3 LYS A 23 12.655 6.111 7.852 1.00 0.41 H new ATOM 0 HG2 LYS A 23 12.370 4.156 6.218 1.00 0.42 H new ATOM 0 HG3 LYS A 23 13.928 3.589 6.788 1.00 0.42 H new ATOM 0 HD2 LYS A 23 12.902 3.915 9.182 1.00 0.63 H new ATOM 0 HD3 LYS A 23 11.362 3.928 8.347 1.00 0.63 H new ATOM 0 HE2 LYS A 23 11.987 1.760 7.252 1.00 0.63 H new ATOM 0 HE3 LYS A 23 13.459 1.739 8.202 1.00 0.63 H new ATOM 0 HZ1 LYS A 23 11.437 0.456 9.044 1.00 0.91 H new ATOM 0 HZ2 LYS A 23 12.301 1.401 10.160 1.00 0.91 H new ATOM 0 HZ3 LYS A 23 10.830 1.967 9.528 1.00 0.91 H new ATOM 368 N TYR A 24 14.586 4.761 4.429 1.00 0.36 N ATOM 369 CA TYR A 24 15.571 4.045 3.619 1.00 0.39 C ATOM 370 C TYR A 24 15.922 4.815 2.354 1.00 0.34 C ATOM 371 O TYR A 24 17.090 4.927 1.991 1.00 0.40 O ATOM 372 CB TYR A 24 15.077 2.647 3.264 1.00 0.46 C ATOM 373 CG TYR A 24 15.416 1.612 4.310 1.00 0.86 C ATOM 374 CD1 TYR A 24 16.643 0.963 4.285 1.00 1.67 C ATOM 375 CD2 TYR A 24 14.522 1.281 5.318 1.00 1.52 C ATOM 376 CE1 TYR A 24 16.970 0.016 5.233 1.00 1.99 C ATOM 377 CE2 TYR A 24 14.842 0.333 6.272 1.00 1.83 C ATOM 378 CZ TYR A 24 16.068 -0.295 6.224 1.00 1.72 C ATOM 379 OH TYR A 24 16.393 -1.243 7.167 1.00 2.15 O ATOM 0 H TYR A 24 13.618 4.486 4.262 1.00 0.36 H new ATOM 0 HA TYR A 24 16.475 3.952 4.221 1.00 0.39 H new ATOM 0 HB2 TYR A 24 13.996 2.675 3.127 1.00 0.46 H new ATOM 0 HB3 TYR A 24 15.512 2.346 2.311 1.00 0.46 H new ATOM 0 HD1 TYR A 24 17.354 1.204 3.509 1.00 1.67 H new ATOM 0 HD2 TYR A 24 13.561 1.772 5.358 1.00 1.52 H new ATOM 0 HE1 TYR A 24 17.929 -0.479 5.197 1.00 1.99 H new ATOM 0 HE2 TYR A 24 14.135 0.086 7.050 1.00 1.83 H new ATOM 0 HH TYR A 24 15.913 -2.075 6.973 1.00 2.15 H new ATOM 389 N ALA A 25 14.913 5.350 1.690 1.00 0.29 N ATOM 390 CA ALA A 25 15.126 6.162 0.502 1.00 0.34 C ATOM 391 C ALA A 25 15.848 7.446 0.877 1.00 0.47 C ATOM 392 O ALA A 25 16.560 8.042 0.068 1.00 0.58 O ATOM 393 CB ALA A 25 13.798 6.473 -0.167 1.00 0.37 C ATOM 0 H ALA A 25 13.934 5.237 1.953 1.00 0.29 H new ATOM 0 HA ALA A 25 15.744 5.606 -0.203 1.00 0.34 H new ATOM 0 HB1 ALA A 25 13.971 7.081 -1.055 1.00 0.37 H new ATOM 0 HB2 ALA A 25 13.309 5.542 -0.455 1.00 0.37 H new ATOM 0 HB3 ALA A 25 13.160 7.019 0.528 1.00 0.37 H new ATOM 399 N GLY A 26 15.674 7.847 2.130 1.00 0.49 N ATOM 400 CA GLY A 26 16.326 9.033 2.636 1.00 0.64 C ATOM 401 C GLY A 26 17.791 8.797 2.953 1.00 0.75 C ATOM 402 O GLY A 26 18.481 9.698 3.424 1.00 0.96 O ATOM 0 H GLY A 26 15.086 7.364 2.809 1.00 0.49 H new ATOM 0 HA2 GLY A 26 16.240 9.833 1.901 1.00 0.64 H new ATOM 0 HA3 GLY A 26 15.812 9.371 3.536 1.00 0.64 H new ATOM 406 N LYS A 27 18.266 7.579 2.718 1.00 0.69 N ATOM 407 CA LYS A 27 19.672 7.261 2.923 1.00 0.82 C ATOM 408 C LYS A 27 20.490 7.650 1.701 1.00 0.95 C ATOM 409 O LYS A 27 21.637 8.078 1.821 1.00 1.11 O ATOM 410 CB LYS A 27 19.860 5.771 3.209 1.00 0.77 C ATOM 411 CG LYS A 27 19.185 5.296 4.484 1.00 0.81 C ATOM 412 CD LYS A 27 19.465 3.826 4.745 1.00 0.85 C ATOM 413 CE LYS A 27 18.888 3.380 6.078 1.00 1.11 C ATOM 414 NZ LYS A 27 19.461 2.083 6.533 1.00 1.72 N ATOM 0 H LYS A 27 17.699 6.799 2.386 1.00 0.69 H new ATOM 0 HA LYS A 27 20.019 7.831 3.785 1.00 0.82 H new ATOM 0 HB2 LYS A 27 19.469 5.198 2.368 1.00 0.77 H new ATOM 0 HB3 LYS A 27 20.927 5.556 3.273 1.00 0.77 H new ATOM 0 HG2 LYS A 27 19.537 5.890 5.327 1.00 0.81 H new ATOM 0 HG3 LYS A 27 18.109 5.455 4.409 1.00 0.81 H new ATOM 0 HD2 LYS A 27 19.038 3.225 3.942 1.00 0.85 H new ATOM 0 HD3 LYS A 27 20.541 3.652 4.736 1.00 0.85 H new ATOM 0 HE2 LYS A 27 19.082 4.145 6.830 1.00 1.11 H new ATOM 0 HE3 LYS A 27 17.806 3.286 5.990 1.00 1.11 H new ATOM 0 HZ1 LYS A 27 19.533 2.080 7.571 1.00 1.72 H new ATOM 0 HZ2 LYS A 27 18.844 1.304 6.227 1.00 1.72 H new ATOM 0 HZ3 LYS A 27 20.407 1.958 6.120 1.00 1.72 H new ATOM 428 N ASP A 28 19.891 7.517 0.523 1.00 1.00 N ATOM 429 CA ASP A 28 20.598 7.808 -0.717 1.00 1.19 C ATOM 430 C ASP A 28 20.581 9.305 -1.005 1.00 1.26 C ATOM 431 O ASP A 28 21.491 9.845 -1.634 1.00 1.58 O ATOM 432 CB ASP A 28 19.971 7.034 -1.878 1.00 1.33 C ATOM 433 CG ASP A 28 20.764 7.169 -3.160 1.00 1.65 C ATOM 434 OD1 ASP A 28 21.748 6.415 -3.335 1.00 2.08 O ATOM 435 OD2 ASP A 28 20.403 8.021 -3.998 1.00 2.16 O ATOM 0 H ASP A 28 18.925 7.212 0.401 1.00 1.00 H new ATOM 0 HA ASP A 28 21.635 7.492 -0.606 1.00 1.19 H new ATOM 0 HB2 ASP A 28 19.897 5.980 -1.610 1.00 1.33 H new ATOM 0 HB3 ASP A 28 18.955 7.393 -2.043 1.00 1.33 H new ATOM 440 N GLY A 29 19.553 9.972 -0.492 1.00 1.15 N ATOM 441 CA GLY A 29 19.484 11.424 -0.540 1.00 1.32 C ATOM 442 C GLY A 29 19.307 11.996 -1.935 1.00 1.51 C ATOM 443 O GLY A 29 19.533 13.190 -2.143 1.00 1.64 O ATOM 0 H GLY A 29 18.755 9.527 -0.038 1.00 1.15 H new ATOM 0 HA2 GLY A 29 18.655 11.757 0.084 1.00 1.32 H new ATOM 0 HA3 GLY A 29 20.396 11.834 -0.105 1.00 1.32 H new ATOM 447 N TYR A 30 18.905 11.162 -2.887 1.00 2.07 N ATOM 448 CA TYR A 30 18.691 11.616 -4.257 1.00 2.80 C ATOM 449 C TYR A 30 17.431 12.483 -4.351 1.00 2.61 C ATOM 450 O TYR A 30 17.493 13.705 -4.192 1.00 3.02 O ATOM 451 CB TYR A 30 18.607 10.409 -5.204 1.00 3.68 C ATOM 452 CG TYR A 30 18.339 10.763 -6.652 1.00 4.52 C ATOM 453 CD1 TYR A 30 19.271 11.460 -7.409 1.00 5.11 C ATOM 454 CD2 TYR A 30 17.148 10.390 -7.261 1.00 5.12 C ATOM 455 CE1 TYR A 30 19.023 11.777 -8.731 1.00 6.04 C ATOM 456 CE2 TYR A 30 16.892 10.702 -8.578 1.00 6.09 C ATOM 457 CZ TYR A 30 17.830 11.395 -9.310 1.00 6.45 C ATOM 458 OH TYR A 30 17.572 11.707 -10.624 1.00 7.51 O ATOM 0 H TYR A 30 18.721 10.170 -2.737 1.00 2.07 H new ATOM 0 HA TYR A 30 19.538 12.232 -4.560 1.00 2.80 H new ATOM 0 HB2 TYR A 30 19.543 9.853 -5.147 1.00 3.68 H new ATOM 0 HB3 TYR A 30 17.818 9.743 -4.854 1.00 3.68 H new ATOM 0 HD1 TYR A 30 20.205 11.759 -6.957 1.00 5.11 H new ATOM 0 HD2 TYR A 30 16.409 9.845 -6.692 1.00 5.12 H new ATOM 0 HE1 TYR A 30 19.758 12.320 -9.307 1.00 6.04 H new ATOM 0 HE2 TYR A 30 15.960 10.404 -9.034 1.00 6.09 H new ATOM 0 HH TYR A 30 16.689 11.364 -10.874 1.00 7.51 H new ATOM 468 N ASN A 31 16.293 11.849 -4.589 1.00 2.62 N ATOM 469 CA ASN A 31 15.009 12.542 -4.648 1.00 2.78 C ATOM 470 C ASN A 31 14.011 11.804 -3.777 1.00 1.96 C ATOM 471 O ASN A 31 12.835 11.677 -4.129 1.00 2.53 O ATOM 472 CB ASN A 31 14.473 12.608 -6.088 1.00 3.85 C ATOM 473 CG ASN A 31 15.152 13.655 -6.956 1.00 4.61 C ATOM 474 OD1 ASN A 31 16.329 13.969 -6.786 1.00 4.92 O ATOM 475 ND2 ASN A 31 14.406 14.207 -7.900 1.00 5.33 N ATOM 0 H ASN A 31 16.230 10.843 -4.747 1.00 2.62 H new ATOM 0 HA ASN A 31 15.151 13.562 -4.291 1.00 2.78 H new ATOM 0 HB2 ASN A 31 14.595 11.630 -6.555 1.00 3.85 H new ATOM 0 HB3 ASN A 31 13.403 12.816 -6.057 1.00 3.85 H new ATOM 0 HD21 ASN A 31 14.804 14.917 -8.515 1.00 5.33 H new ATOM 0 HD22 ASN A 31 13.433 13.922 -8.013 1.00 5.33 H new ATOM 482 N TYR A 32 14.496 11.331 -2.631 1.00 1.18 N ATOM 483 CA TYR A 32 13.745 10.411 -1.788 1.00 1.18 C ATOM 484 C TYR A 32 13.335 9.191 -2.601 1.00 0.92 C ATOM 485 O TYR A 32 12.156 8.881 -2.756 1.00 1.05 O ATOM 486 CB TYR A 32 12.536 11.098 -1.145 1.00 1.78 C ATOM 487 CG TYR A 32 12.925 12.103 -0.086 1.00 2.38 C ATOM 488 CD1 TYR A 32 13.319 11.683 1.179 1.00 3.08 C ATOM 489 CD2 TYR A 32 12.911 13.466 -0.350 1.00 2.99 C ATOM 490 CE1 TYR A 32 13.689 12.594 2.150 1.00 3.93 C ATOM 491 CE2 TYR A 32 13.278 14.384 0.617 1.00 3.86 C ATOM 492 CZ TYR A 32 13.667 13.942 1.865 1.00 4.19 C ATOM 493 OH TYR A 32 14.036 14.854 2.832 1.00 5.19 O ATOM 0 H TYR A 32 15.416 11.575 -2.264 1.00 1.18 H new ATOM 0 HA TYR A 32 14.386 10.082 -0.970 1.00 1.18 H new ATOM 0 HB2 TYR A 32 11.955 11.600 -1.919 1.00 1.78 H new ATOM 0 HB3 TYR A 32 11.889 10.342 -0.701 1.00 1.78 H new ATOM 0 HD1 TYR A 32 13.336 10.627 1.407 1.00 3.08 H new ATOM 0 HD2 TYR A 32 12.609 13.815 -1.326 1.00 2.99 H new ATOM 0 HE1 TYR A 32 13.994 12.251 3.128 1.00 3.93 H new ATOM 0 HE2 TYR A 32 13.260 15.441 0.397 1.00 3.86 H new ATOM 0 HH TYR A 32 13.966 15.762 2.469 1.00 5.19 H new ATOM 503 N THR A 33 14.345 8.522 -3.130 1.00 0.67 N ATOM 504 CA THR A 33 14.175 7.332 -3.942 1.00 0.46 C ATOM 505 C THR A 33 14.995 6.212 -3.326 1.00 0.38 C ATOM 506 O THR A 33 16.113 6.433 -2.857 1.00 0.44 O ATOM 507 CB THR A 33 14.639 7.602 -5.389 1.00 0.45 C ATOM 508 OG1 THR A 33 14.467 8.993 -5.701 1.00 0.66 O ATOM 509 CG2 THR A 33 13.857 6.767 -6.392 1.00 0.43 C ATOM 0 H THR A 33 15.320 8.795 -3.005 1.00 0.67 H new ATOM 0 HA THR A 33 13.123 7.049 -3.973 1.00 0.46 H new ATOM 0 HB THR A 33 15.691 7.326 -5.458 1.00 0.45 H new ATOM 0 HG1 THR A 33 14.452 9.111 -6.674 1.00 0.66 H new ATOM 0 HG21 THR A 33 14.211 6.983 -7.400 1.00 0.43 H new ATOM 0 HG22 THR A 33 14.002 5.709 -6.176 1.00 0.43 H new ATOM 0 HG23 THR A 33 12.797 7.010 -6.320 1.00 0.43 H new ATOM 517 N LEU A 34 14.434 5.023 -3.304 1.00 0.32 N ATOM 518 CA LEU A 34 15.057 3.902 -2.634 1.00 0.30 C ATOM 519 C LEU A 34 16.040 3.235 -3.566 1.00 0.31 C ATOM 520 O LEU A 34 15.666 2.504 -4.481 1.00 0.34 O ATOM 521 CB LEU A 34 13.967 2.928 -2.182 1.00 0.30 C ATOM 522 CG LEU A 34 13.932 2.619 -0.687 1.00 0.29 C ATOM 523 CD1 LEU A 34 12.647 1.897 -0.317 1.00 0.45 C ATOM 524 CD2 LEU A 34 15.131 1.783 -0.293 1.00 0.28 C ATOM 0 H LEU A 34 13.541 4.806 -3.746 1.00 0.32 H new ATOM 0 HA LEU A 34 15.607 4.241 -1.756 1.00 0.30 H new ATOM 0 HB2 LEU A 34 12.999 3.335 -2.473 1.00 0.30 H new ATOM 0 HB3 LEU A 34 14.095 1.991 -2.725 1.00 0.30 H new ATOM 0 HG LEU A 34 13.967 3.563 -0.143 1.00 0.29 H new ATOM 0 HD11 LEU A 34 12.643 1.687 0.752 1.00 0.45 H new ATOM 0 HD12 LEU A 34 11.792 2.525 -0.566 1.00 0.45 H new ATOM 0 HD13 LEU A 34 12.583 0.961 -0.871 1.00 0.45 H new ATOM 0 HD21 LEU A 34 15.092 1.571 0.775 1.00 0.28 H new ATOM 0 HD22 LEU A 34 15.120 0.846 -0.849 1.00 0.28 H new ATOM 0 HD23 LEU A 34 16.046 2.329 -0.521 1.00 0.28 H new ATOM 536 N SER A 35 17.308 3.513 -3.314 1.00 0.32 N ATOM 537 CA SER A 35 18.382 3.066 -4.167 1.00 0.33 C ATOM 538 C SER A 35 18.577 1.565 -4.044 1.00 0.32 C ATOM 539 O SER A 35 18.011 0.938 -3.152 1.00 0.30 O ATOM 540 CB SER A 35 19.661 3.822 -3.818 1.00 0.37 C ATOM 541 OG SER A 35 20.669 3.626 -4.796 1.00 0.40 O ATOM 0 H SER A 35 17.616 4.057 -2.508 1.00 0.32 H new ATOM 0 HA SER A 35 18.126 3.277 -5.205 1.00 0.33 H new ATOM 0 HB2 SER A 35 19.442 4.886 -3.729 1.00 0.37 H new ATOM 0 HB3 SER A 35 20.027 3.490 -2.847 1.00 0.37 H new ATOM 0 HG SER A 35 21.473 4.125 -4.542 1.00 0.40 H new ATOM 547 N LYS A 36 19.376 1.002 -4.943 1.00 0.38 N ATOM 548 CA LYS A 36 19.570 -0.437 -5.010 1.00 0.42 C ATOM 549 C LYS A 36 19.942 -0.999 -3.646 1.00 0.36 C ATOM 550 O LYS A 36 19.180 -1.761 -3.063 1.00 0.35 O ATOM 551 CB LYS A 36 20.653 -0.780 -6.033 1.00 0.53 C ATOM 552 CG LYS A 36 20.745 -2.260 -6.357 1.00 0.62 C ATOM 553 CD LYS A 36 19.488 -2.752 -7.054 1.00 0.66 C ATOM 554 CE LYS A 36 19.598 -4.214 -7.453 1.00 0.61 C ATOM 555 NZ LYS A 36 20.721 -4.452 -8.395 1.00 0.65 N ATOM 0 H LYS A 36 19.903 1.528 -5.640 1.00 0.38 H new ATOM 0 HA LYS A 36 18.630 -0.891 -5.324 1.00 0.42 H new ATOM 0 HB2 LYS A 36 20.459 -0.228 -6.953 1.00 0.53 H new ATOM 0 HB3 LYS A 36 21.617 -0.440 -5.655 1.00 0.53 H new ATOM 0 HG2 LYS A 36 21.611 -2.442 -6.993 1.00 0.62 H new ATOM 0 HG3 LYS A 36 20.900 -2.827 -5.439 1.00 0.62 H new ATOM 0 HD2 LYS A 36 18.631 -2.619 -6.394 1.00 0.66 H new ATOM 0 HD3 LYS A 36 19.304 -2.146 -7.941 1.00 0.66 H new ATOM 0 HE2 LYS A 36 19.739 -4.824 -6.560 1.00 0.61 H new ATOM 0 HE3 LYS A 36 18.664 -4.535 -7.914 1.00 0.61 H new ATOM 0 HZ1 LYS A 36 20.612 -5.387 -8.836 1.00 0.65 H new ATOM 0 HZ2 LYS A 36 20.717 -3.719 -9.132 1.00 0.65 H new ATOM 0 HZ3 LYS A 36 21.622 -4.417 -7.877 1.00 0.65 H new ATOM 569 N THR A 37 21.080 -0.577 -3.119 1.00 0.37 N ATOM 570 CA THR A 37 21.578 -1.097 -1.854 1.00 0.38 C ATOM 571 C THR A 37 20.649 -0.745 -0.691 1.00 0.36 C ATOM 572 O THR A 37 20.504 -1.515 0.264 1.00 0.38 O ATOM 573 CB THR A 37 22.978 -0.551 -1.561 1.00 0.44 C ATOM 574 OG1 THR A 37 23.823 -0.745 -2.704 1.00 0.48 O ATOM 575 CG2 THR A 37 23.577 -1.256 -0.355 1.00 0.49 C ATOM 0 H THR A 37 21.679 0.127 -3.549 1.00 0.37 H new ATOM 0 HA THR A 37 21.618 -2.182 -1.949 1.00 0.38 H new ATOM 0 HB THR A 37 22.901 0.514 -1.344 1.00 0.44 H new ATOM 0 HG1 THR A 37 24.717 -0.393 -2.513 1.00 0.48 H new ATOM 0 HG21 THR A 37 24.572 -0.858 -0.158 1.00 0.49 H new ATOM 0 HG22 THR A 37 22.942 -1.091 0.515 1.00 0.49 H new ATOM 0 HG23 THR A 37 23.647 -2.325 -0.556 1.00 0.49 H new ATOM 583 N GLU A 38 20.006 0.408 -0.787 1.00 0.34 N ATOM 584 CA GLU A 38 19.081 0.855 0.242 1.00 0.34 C ATOM 585 C GLU A 38 17.869 -0.055 0.254 1.00 0.34 C ATOM 586 O GLU A 38 17.310 -0.357 1.305 1.00 0.48 O ATOM 587 CB GLU A 38 18.654 2.305 0.002 1.00 0.35 C ATOM 588 CG GLU A 38 19.689 3.344 0.419 1.00 0.47 C ATOM 589 CD GLU A 38 21.072 3.082 -0.139 1.00 1.27 C ATOM 590 OE1 GLU A 38 21.217 2.993 -1.372 1.00 1.96 O ATOM 591 OE2 GLU A 38 22.024 2.956 0.658 1.00 2.16 O ATOM 0 H GLU A 38 20.108 1.053 -1.570 1.00 0.34 H new ATOM 0 HA GLU A 38 19.581 0.810 1.210 1.00 0.34 H new ATOM 0 HB2 GLU A 38 18.433 2.435 -1.057 1.00 0.35 H new ATOM 0 HB3 GLU A 38 17.729 2.493 0.546 1.00 0.35 H new ATOM 0 HG2 GLU A 38 19.355 4.329 0.092 1.00 0.47 H new ATOM 0 HG3 GLU A 38 19.745 3.372 1.507 1.00 0.47 H new ATOM 598 N PHE A 39 17.495 -0.511 -0.931 1.00 0.29 N ATOM 599 CA PHE A 39 16.357 -1.391 -1.101 1.00 0.31 C ATOM 600 C PHE A 39 16.744 -2.804 -0.724 1.00 0.28 C ATOM 601 O PHE A 39 15.932 -3.567 -0.211 1.00 0.27 O ATOM 602 CB PHE A 39 15.882 -1.343 -2.550 1.00 0.53 C ATOM 603 CG PHE A 39 14.551 -1.993 -2.777 1.00 0.81 C ATOM 604 CD1 PHE A 39 13.447 -1.611 -2.036 1.00 1.78 C ATOM 605 CD2 PHE A 39 14.403 -2.978 -3.740 1.00 1.76 C ATOM 606 CE1 PHE A 39 12.217 -2.199 -2.249 1.00 2.66 C ATOM 607 CE2 PHE A 39 13.177 -3.570 -3.957 1.00 2.62 C ATOM 608 CZ PHE A 39 12.081 -3.180 -3.211 1.00 2.88 C ATOM 0 H PHE A 39 17.974 -0.279 -1.801 1.00 0.29 H new ATOM 0 HA PHE A 39 15.545 -1.063 -0.452 1.00 0.31 H new ATOM 0 HB2 PHE A 39 15.826 -0.302 -2.869 1.00 0.53 H new ATOM 0 HB3 PHE A 39 16.625 -1.830 -3.181 1.00 0.53 H new ATOM 0 HD1 PHE A 39 13.549 -0.844 -1.282 1.00 1.78 H new ATOM 0 HD2 PHE A 39 15.256 -3.285 -4.326 1.00 1.76 H new ATOM 0 HE1 PHE A 39 11.362 -1.892 -1.664 1.00 2.66 H new ATOM 0 HE2 PHE A 39 13.073 -4.338 -4.709 1.00 2.62 H new ATOM 0 HZ PHE A 39 11.120 -3.642 -3.380 1.00 2.88 H new ATOM 618 N LEU A 40 17.997 -3.144 -0.983 1.00 0.33 N ATOM 619 CA LEU A 40 18.537 -4.429 -0.586 1.00 0.37 C ATOM 620 C LEU A 40 18.474 -4.554 0.927 1.00 0.40 C ATOM 621 O LEU A 40 17.941 -5.523 1.466 1.00 0.43 O ATOM 622 CB LEU A 40 19.982 -4.571 -1.062 1.00 0.43 C ATOM 623 CG LEU A 40 20.217 -4.346 -2.560 1.00 0.50 C ATOM 624 CD1 LEU A 40 21.533 -4.964 -3.000 1.00 1.07 C ATOM 625 CD2 LEU A 40 19.059 -4.881 -3.384 1.00 0.46 C ATOM 0 H LEU A 40 18.661 -2.541 -1.470 1.00 0.33 H new ATOM 0 HA LEU A 40 17.945 -5.222 -1.043 1.00 0.37 H new ATOM 0 HB2 LEU A 40 20.599 -3.864 -0.507 1.00 0.43 H new ATOM 0 HB3 LEU A 40 20.333 -5.570 -0.805 1.00 0.43 H new ATOM 0 HG LEU A 40 20.276 -3.271 -2.732 1.00 0.50 H new ATOM 0 HD11 LEU A 40 21.677 -4.791 -4.066 1.00 1.07 H new ATOM 0 HD12 LEU A 40 22.353 -4.509 -2.444 1.00 1.07 H new ATOM 0 HD13 LEU A 40 21.514 -6.036 -2.805 1.00 1.07 H new ATOM 0 HD21 LEU A 40 19.254 -4.707 -4.442 1.00 0.46 H new ATOM 0 HD22 LEU A 40 18.950 -5.951 -3.206 1.00 0.46 H new ATOM 0 HD23 LEU A 40 18.141 -4.370 -3.096 1.00 0.46 H new ATOM 637 N SER A 41 19.004 -3.546 1.601 1.00 0.42 N ATOM 638 CA SER A 41 18.952 -3.478 3.049 1.00 0.52 C ATOM 639 C SER A 41 17.501 -3.438 3.514 1.00 0.45 C ATOM 640 O SER A 41 17.119 -4.157 4.434 1.00 0.47 O ATOM 641 CB SER A 41 19.702 -2.240 3.538 1.00 0.67 C ATOM 642 OG SER A 41 21.027 -2.213 3.030 1.00 1.40 O ATOM 0 H SER A 41 19.479 -2.758 1.161 1.00 0.42 H new ATOM 0 HA SER A 41 19.429 -4.364 3.468 1.00 0.52 H new ATOM 0 HB2 SER A 41 19.170 -1.341 3.225 1.00 0.67 H new ATOM 0 HB3 SER A 41 19.727 -2.232 4.628 1.00 0.67 H new ATOM 0 HG SER A 41 21.011 -1.939 2.089 1.00 1.40 H new ATOM 648 N PHE A 42 16.700 -2.602 2.852 1.00 0.42 N ATOM 649 CA PHE A 42 15.273 -2.494 3.137 1.00 0.46 C ATOM 650 C PHE A 42 14.608 -3.850 3.084 1.00 0.29 C ATOM 651 O PHE A 42 14.050 -4.307 4.062 1.00 0.43 O ATOM 652 CB PHE A 42 14.592 -1.570 2.124 1.00 0.80 C ATOM 653 CG PHE A 42 13.124 -1.392 2.378 1.00 1.89 C ATOM 654 CD1 PHE A 42 12.675 -0.406 3.235 1.00 2.69 C ATOM 655 CD2 PHE A 42 12.195 -2.223 1.774 1.00 2.77 C ATOM 656 CE1 PHE A 42 11.330 -0.247 3.487 1.00 3.73 C ATOM 657 CE2 PHE A 42 10.847 -2.072 2.025 1.00 3.80 C ATOM 658 CZ PHE A 42 10.414 -1.082 2.883 1.00 4.13 C ATOM 0 H PHE A 42 17.022 -1.984 2.107 1.00 0.42 H new ATOM 0 HA PHE A 42 15.168 -2.080 4.140 1.00 0.46 H new ATOM 0 HB2 PHE A 42 15.079 -0.595 2.147 1.00 0.80 H new ATOM 0 HB3 PHE A 42 14.734 -1.973 1.121 1.00 0.80 H new ATOM 0 HD1 PHE A 42 13.388 0.249 3.714 1.00 2.69 H new ATOM 0 HD2 PHE A 42 12.529 -2.997 1.099 1.00 2.77 H new ATOM 0 HE1 PHE A 42 10.994 0.531 4.157 1.00 3.73 H new ATOM 0 HE2 PHE A 42 10.132 -2.728 1.551 1.00 3.80 H new ATOM 0 HZ PHE A 42 9.359 -0.961 3.081 1.00 4.13 H new ATOM 668 N MET A 43 14.672 -4.496 1.945 1.00 0.26 N ATOM 669 CA MET A 43 13.972 -5.754 1.767 1.00 0.29 C ATOM 670 C MET A 43 14.497 -6.852 2.681 1.00 0.29 C ATOM 671 O MET A 43 13.741 -7.722 3.085 1.00 0.37 O ATOM 672 CB MET A 43 14.036 -6.219 0.327 1.00 0.39 C ATOM 673 CG MET A 43 13.189 -5.388 -0.622 1.00 0.62 C ATOM 674 SD MET A 43 12.690 -6.294 -2.101 1.00 1.22 S ATOM 675 CE MET A 43 11.585 -7.521 -1.402 1.00 2.26 C ATOM 0 H MET A 43 15.197 -4.178 1.130 1.00 0.26 H new ATOM 0 HA MET A 43 12.934 -5.562 2.039 1.00 0.29 H new ATOM 0 HB2 MET A 43 15.073 -6.193 -0.008 1.00 0.39 H new ATOM 0 HB3 MET A 43 13.710 -7.258 0.275 1.00 0.39 H new ATOM 0 HG2 MET A 43 12.299 -5.042 -0.097 1.00 0.62 H new ATOM 0 HG3 MET A 43 13.749 -4.501 -0.918 1.00 0.62 H new ATOM 0 HE1 MET A 43 11.936 -8.519 -1.665 1.00 2.26 H new ATOM 0 HE2 MET A 43 11.566 -7.418 -0.317 1.00 2.26 H new ATOM 0 HE3 MET A 43 10.580 -7.374 -1.798 1.00 2.26 H new ATOM 685 N ASN A 44 15.776 -6.829 3.015 1.00 0.29 N ATOM 686 CA ASN A 44 16.309 -7.847 3.914 1.00 0.33 C ATOM 687 C ASN A 44 15.937 -7.565 5.365 1.00 0.32 C ATOM 688 O ASN A 44 16.057 -8.441 6.219 1.00 0.39 O ATOM 689 CB ASN A 44 17.823 -7.977 3.809 1.00 0.42 C ATOM 690 CG ASN A 44 18.280 -8.787 2.612 1.00 1.05 C ATOM 691 OD1 ASN A 44 18.303 -10.017 2.653 1.00 1.54 O ATOM 692 ND2 ASN A 44 18.684 -8.108 1.557 1.00 1.83 N ATOM 0 H ASN A 44 16.452 -6.138 2.690 1.00 0.29 H new ATOM 0 HA ASN A 44 15.856 -8.787 3.599 1.00 0.33 H new ATOM 0 HB2 ASN A 44 18.262 -6.981 3.752 1.00 0.42 H new ATOM 0 HB3 ASN A 44 18.204 -8.442 4.719 1.00 0.42 H new ATOM 0 HD21 ASN A 44 19.032 -8.602 0.735 1.00 1.83 H new ATOM 0 HD22 ASN A 44 18.649 -7.089 1.563 1.00 1.83 H new ATOM 699 N THR A 45 15.507 -6.346 5.653 1.00 0.26 N ATOM 700 CA THR A 45 15.104 -5.996 7.016 1.00 0.29 C ATOM 701 C THR A 45 13.593 -5.899 7.145 1.00 0.28 C ATOM 702 O THR A 45 12.953 -6.665 7.869 1.00 0.34 O ATOM 703 CB THR A 45 15.713 -4.654 7.465 1.00 0.29 C ATOM 704 OG1 THR A 45 15.552 -3.669 6.437 1.00 0.34 O ATOM 705 CG2 THR A 45 17.187 -4.806 7.795 1.00 0.34 C ATOM 0 H THR A 45 15.427 -5.588 4.975 1.00 0.26 H new ATOM 0 HA THR A 45 15.477 -6.797 7.655 1.00 0.29 H new ATOM 0 HB THR A 45 15.187 -4.332 8.364 1.00 0.29 H new ATOM 0 HG1 THR A 45 16.295 -3.735 5.801 1.00 0.34 H new ATOM 0 HG21 THR A 45 17.591 -3.843 8.109 1.00 0.34 H new ATOM 0 HG22 THR A 45 17.307 -5.530 8.601 1.00 0.34 H new ATOM 0 HG23 THR A 45 17.723 -5.154 6.912 1.00 0.34 H new ATOM 713 N GLU A 46 13.040 -4.968 6.400 1.00 0.23 N ATOM 714 CA GLU A 46 11.644 -4.622 6.481 1.00 0.25 C ATOM 715 C GLU A 46 10.787 -5.637 5.730 1.00 0.25 C ATOM 716 O GLU A 46 9.587 -5.711 5.934 1.00 0.34 O ATOM 717 CB GLU A 46 11.433 -3.223 5.904 1.00 0.29 C ATOM 718 CG GLU A 46 12.346 -2.161 6.502 1.00 0.58 C ATOM 719 CD GLU A 46 12.065 -1.887 7.966 1.00 1.17 C ATOM 720 OE1 GLU A 46 11.236 -1.002 8.261 1.00 1.70 O ATOM 721 OE2 GLU A 46 12.681 -2.537 8.833 1.00 1.68 O ATOM 0 H GLU A 46 13.558 -4.423 5.711 1.00 0.23 H new ATOM 0 HA GLU A 46 11.340 -4.634 7.528 1.00 0.25 H new ATOM 0 HB2 GLU A 46 11.591 -3.258 4.826 1.00 0.29 H new ATOM 0 HB3 GLU A 46 10.396 -2.928 6.064 1.00 0.29 H new ATOM 0 HG2 GLU A 46 13.383 -2.478 6.391 1.00 0.58 H new ATOM 0 HG3 GLU A 46 12.234 -1.235 5.938 1.00 0.58 H new ATOM 728 N LEU A 47 11.395 -6.420 4.856 1.00 0.25 N ATOM 729 CA LEU A 47 10.640 -7.423 4.118 1.00 0.26 C ATOM 730 C LEU A 47 11.343 -8.760 4.138 1.00 0.28 C ATOM 731 O LEU A 47 11.207 -9.557 3.211 1.00 0.30 O ATOM 732 CB LEU A 47 10.416 -6.982 2.678 1.00 0.26 C ATOM 733 CG LEU A 47 9.607 -5.702 2.517 1.00 0.27 C ATOM 734 CD1 LEU A 47 9.577 -5.281 1.062 1.00 0.32 C ATOM 735 CD2 LEU A 47 8.199 -5.904 3.057 1.00 0.27 C ATOM 0 H LEU A 47 12.391 -6.385 4.641 1.00 0.25 H new ATOM 0 HA LEU A 47 9.673 -7.531 4.610 1.00 0.26 H new ATOM 0 HB2 LEU A 47 11.386 -6.844 2.201 1.00 0.26 H new ATOM 0 HB3 LEU A 47 9.909 -7.785 2.142 1.00 0.26 H new ATOM 0 HG LEU A 47 10.081 -4.905 3.090 1.00 0.27 H new ATOM 0 HD11 LEU A 47 8.996 -4.365 0.960 1.00 0.32 H new ATOM 0 HD12 LEU A 47 10.595 -5.106 0.713 1.00 0.32 H new ATOM 0 HD13 LEU A 47 9.119 -6.069 0.464 1.00 0.32 H new ATOM 0 HD21 LEU A 47 7.628 -4.983 2.938 1.00 0.27 H new ATOM 0 HD22 LEU A 47 7.710 -6.708 2.507 1.00 0.27 H new ATOM 0 HD23 LEU A 47 8.249 -6.166 4.114 1.00 0.27 H new ATOM 747 N ALA A 48 12.108 -8.997 5.191 1.00 0.32 N ATOM 748 CA ALA A 48 12.820 -10.249 5.351 1.00 0.36 C ATOM 749 C ALA A 48 11.858 -11.431 5.350 1.00 0.39 C ATOM 750 O ALA A 48 12.229 -12.541 4.980 1.00 0.44 O ATOM 751 CB ALA A 48 13.641 -10.212 6.624 1.00 0.41 C ATOM 0 H ALA A 48 12.251 -8.332 5.951 1.00 0.32 H new ATOM 0 HA ALA A 48 13.494 -10.380 4.505 1.00 0.36 H new ATOM 0 HB1 ALA A 48 14.175 -11.155 6.740 1.00 0.41 H new ATOM 0 HB2 ALA A 48 14.359 -9.393 6.570 1.00 0.41 H new ATOM 0 HB3 ALA A 48 12.981 -10.061 7.478 1.00 0.41 H new ATOM 757 N ALA A 49 10.616 -11.174 5.741 1.00 0.38 N ATOM 758 CA ALA A 49 9.562 -12.178 5.688 1.00 0.41 C ATOM 759 C ALA A 49 9.414 -12.726 4.276 1.00 0.41 C ATOM 760 O ALA A 49 9.258 -13.928 4.075 1.00 0.47 O ATOM 761 CB ALA A 49 8.250 -11.572 6.147 1.00 0.44 C ATOM 0 H ALA A 49 10.313 -10.269 6.102 1.00 0.38 H new ATOM 0 HA ALA A 49 9.831 -13.000 6.352 1.00 0.41 H new ATOM 0 HB1 ALA A 49 7.466 -12.328 6.105 1.00 0.44 H new ATOM 0 HB2 ALA A 49 8.354 -11.213 7.171 1.00 0.44 H new ATOM 0 HB3 ALA A 49 7.986 -10.739 5.495 1.00 0.44 H new ATOM 767 N PHE A 50 9.467 -11.827 3.309 1.00 0.36 N ATOM 768 CA PHE A 50 9.358 -12.187 1.905 1.00 0.37 C ATOM 769 C PHE A 50 10.723 -12.580 1.350 1.00 0.38 C ATOM 770 O PHE A 50 10.889 -13.645 0.757 1.00 0.44 O ATOM 771 CB PHE A 50 8.812 -10.992 1.122 1.00 0.35 C ATOM 772 CG PHE A 50 8.583 -11.268 -0.340 1.00 0.70 C ATOM 773 CD1 PHE A 50 7.429 -11.911 -0.764 1.00 1.32 C ATOM 774 CD2 PHE A 50 9.517 -10.883 -1.288 1.00 1.63 C ATOM 775 CE1 PHE A 50 7.214 -12.162 -2.106 1.00 1.66 C ATOM 776 CE2 PHE A 50 9.307 -11.133 -2.631 1.00 2.09 C ATOM 777 CZ PHE A 50 8.154 -11.773 -3.040 1.00 1.80 C ATOM 0 H PHE A 50 9.587 -10.828 3.474 1.00 0.36 H new ATOM 0 HA PHE A 50 8.683 -13.037 1.806 1.00 0.37 H new ATOM 0 HB2 PHE A 50 7.871 -10.675 1.573 1.00 0.35 H new ATOM 0 HB3 PHE A 50 9.508 -10.159 1.219 1.00 0.35 H new ATOM 0 HD1 PHE A 50 6.691 -12.219 -0.038 1.00 1.32 H new ATOM 0 HD2 PHE A 50 10.420 -10.381 -0.974 1.00 1.63 H new ATOM 0 HE1 PHE A 50 6.311 -12.662 -2.424 1.00 1.66 H new ATOM 0 HE2 PHE A 50 10.044 -10.828 -3.359 1.00 2.09 H new ATOM 0 HZ PHE A 50 7.987 -11.969 -4.089 1.00 1.80 H new ATOM 787 N THR A 51 11.689 -11.706 1.578 1.00 0.36 N ATOM 788 CA THR A 51 13.029 -11.841 1.034 1.00 0.40 C ATOM 789 C THR A 51 13.696 -13.153 1.437 1.00 0.45 C ATOM 790 O THR A 51 14.225 -13.878 0.592 1.00 0.54 O ATOM 791 CB THR A 51 13.891 -10.666 1.514 1.00 0.39 C ATOM 792 OG1 THR A 51 13.349 -9.436 1.025 1.00 0.39 O ATOM 793 CG2 THR A 51 15.337 -10.815 1.069 1.00 0.49 C ATOM 0 H THR A 51 11.563 -10.873 2.153 1.00 0.36 H new ATOM 0 HA THR A 51 12.942 -11.840 -0.053 1.00 0.40 H new ATOM 0 HB THR A 51 13.879 -10.662 2.604 1.00 0.39 H new ATOM 0 HG1 THR A 51 13.341 -8.772 1.746 1.00 0.39 H new ATOM 0 HG21 THR A 51 15.917 -9.965 1.427 1.00 0.49 H new ATOM 0 HG22 THR A 51 15.751 -11.736 1.480 1.00 0.49 H new ATOM 0 HG23 THR A 51 15.381 -10.852 -0.020 1.00 0.49 H new ATOM 801 N LYS A 52 13.661 -13.464 2.723 1.00 0.48 N ATOM 802 CA LYS A 52 14.351 -14.642 3.228 1.00 0.60 C ATOM 803 C LYS A 52 13.548 -15.899 2.924 1.00 0.69 C ATOM 804 O LYS A 52 14.066 -17.014 2.989 1.00 0.84 O ATOM 805 CB LYS A 52 14.585 -14.527 4.734 1.00 0.70 C ATOM 806 CG LYS A 52 15.340 -13.274 5.151 1.00 0.78 C ATOM 807 CD LYS A 52 16.756 -13.250 4.600 1.00 1.07 C ATOM 808 CE LYS A 52 17.533 -12.054 5.133 1.00 1.24 C ATOM 809 NZ LYS A 52 18.912 -11.992 4.582 1.00 1.82 N ATOM 0 H LYS A 52 13.167 -12.922 3.432 1.00 0.48 H new ATOM 0 HA LYS A 52 15.317 -14.709 2.728 1.00 0.60 H new ATOM 0 HB2 LYS A 52 13.621 -14.544 5.243 1.00 0.70 H new ATOM 0 HB3 LYS A 52 15.140 -15.402 5.073 1.00 0.70 H new ATOM 0 HG2 LYS A 52 14.801 -12.393 4.802 1.00 0.78 H new ATOM 0 HG3 LYS A 52 15.374 -13.217 6.239 1.00 0.78 H new ATOM 0 HD2 LYS A 52 17.271 -14.172 4.871 1.00 1.07 H new ATOM 0 HD3 LYS A 52 16.725 -13.211 3.511 1.00 1.07 H new ATOM 0 HE2 LYS A 52 17.001 -11.136 4.882 1.00 1.24 H new ATOM 0 HE3 LYS A 52 17.580 -12.108 6.221 1.00 1.24 H new ATOM 0 HZ1 LYS A 52 19.575 -11.720 5.336 1.00 1.82 H new ATOM 0 HZ2 LYS A 52 19.178 -12.925 4.207 1.00 1.82 H new ATOM 0 HZ3 LYS A 52 18.949 -11.288 3.817 1.00 1.82 H new ATOM 823 N ASN A 53 12.282 -15.708 2.585 1.00 0.68 N ATOM 824 CA ASN A 53 11.395 -16.822 2.279 1.00 0.85 C ATOM 825 C ASN A 53 11.510 -17.204 0.808 1.00 1.00 C ATOM 826 O ASN A 53 11.032 -18.258 0.385 1.00 1.22 O ATOM 827 CB ASN A 53 9.949 -16.456 2.616 1.00 0.92 C ATOM 828 CG ASN A 53 8.988 -17.628 2.498 1.00 1.40 C ATOM 829 OD1 ASN A 53 9.351 -18.780 2.743 1.00 1.94 O ATOM 830 ND2 ASN A 53 7.750 -17.340 2.122 1.00 2.05 N ATOM 0 H ASN A 53 11.844 -14.789 2.515 1.00 0.68 H new ATOM 0 HA ASN A 53 11.691 -17.677 2.886 1.00 0.85 H new ATOM 0 HB2 ASN A 53 9.909 -16.063 3.632 1.00 0.92 H new ATOM 0 HB3 ASN A 53 9.620 -15.657 1.952 1.00 0.92 H new ATOM 0 HD21 ASN A 53 7.060 -18.085 2.027 1.00 2.05 H new ATOM 0 HD22 ASN A 53 7.488 -16.374 1.928 1.00 2.05 H new ATOM 837 N GLN A 54 12.147 -16.340 0.029 1.00 1.02 N ATOM 838 CA GLN A 54 12.343 -16.600 -1.387 1.00 1.29 C ATOM 839 C GLN A 54 13.417 -17.671 -1.577 1.00 1.33 C ATOM 840 O GLN A 54 13.095 -18.851 -1.726 1.00 2.05 O ATOM 841 CB GLN A 54 12.718 -15.309 -2.125 1.00 1.74 C ATOM 842 CG GLN A 54 12.788 -15.467 -3.636 1.00 2.17 C ATOM 843 CD GLN A 54 11.475 -15.923 -4.240 1.00 2.40 C ATOM 844 OE1 GLN A 54 10.400 -15.615 -3.728 1.00 2.91 O ATOM 845 NE2 GLN A 54 11.554 -16.666 -5.329 1.00 2.71 N ATOM 0 H GLN A 54 12.535 -15.455 0.355 1.00 1.02 H new ATOM 0 HA GLN A 54 11.409 -16.968 -1.811 1.00 1.29 H new ATOM 0 HB2 GLN A 54 11.987 -14.537 -1.883 1.00 1.74 H new ATOM 0 HB3 GLN A 54 13.684 -14.960 -1.760 1.00 1.74 H new ATOM 0 HG2 GLN A 54 13.078 -14.516 -4.083 1.00 2.17 H new ATOM 0 HG3 GLN A 54 13.567 -16.187 -3.886 1.00 2.17 H new ATOM 0 HE21 GLN A 54 12.466 -16.899 -5.722 1.00 2.71 H new ATOM 0 HE22 GLN A 54 10.703 -17.007 -5.777 1.00 2.71 H new ATOM 854 N LYS A 55 14.685 -17.257 -1.542 1.00 1.44 N ATOM 855 CA LYS A 55 15.818 -18.183 -1.642 1.00 1.87 C ATOM 856 C LYS A 55 17.142 -17.424 -1.659 1.00 1.59 C ATOM 857 O LYS A 55 18.065 -17.757 -0.918 1.00 2.27 O ATOM 858 CB LYS A 55 15.716 -19.085 -2.887 1.00 2.84 C ATOM 859 CG LYS A 55 15.544 -18.335 -4.199 1.00 3.60 C ATOM 860 CD LYS A 55 15.502 -19.279 -5.389 1.00 4.29 C ATOM 861 CE LYS A 55 16.808 -20.044 -5.546 1.00 5.02 C ATOM 862 NZ LYS A 55 16.787 -20.937 -6.732 1.00 5.58 N ATOM 0 H LYS A 55 14.956 -16.278 -1.444 1.00 1.44 H new ATOM 0 HA LYS A 55 15.784 -18.822 -0.759 1.00 1.87 H new ATOM 0 HB2 LYS A 55 16.615 -19.699 -2.950 1.00 2.84 H new ATOM 0 HB3 LYS A 55 14.874 -19.765 -2.759 1.00 2.84 H new ATOM 0 HG2 LYS A 55 14.624 -17.751 -4.166 1.00 3.60 H new ATOM 0 HG3 LYS A 55 16.365 -17.629 -4.324 1.00 3.60 H new ATOM 0 HD2 LYS A 55 14.680 -19.984 -5.266 1.00 4.29 H new ATOM 0 HD3 LYS A 55 15.301 -18.711 -6.297 1.00 4.29 H new ATOM 0 HE2 LYS A 55 17.634 -19.338 -5.638 1.00 5.02 H new ATOM 0 HE3 LYS A 55 16.992 -20.636 -4.649 1.00 5.02 H new ATOM 0 HZ1 LYS A 55 17.694 -21.440 -6.804 1.00 5.58 H new ATOM 0 HZ2 LYS A 55 16.015 -21.627 -6.633 1.00 5.58 H new ATOM 0 HZ3 LYS A 55 16.637 -20.370 -7.591 1.00 5.58 H new ATOM 876 N ASP A 56 17.224 -16.397 -2.495 1.00 1.36 N ATOM 877 CA ASP A 56 18.455 -15.638 -2.657 1.00 1.50 C ATOM 878 C ASP A 56 18.131 -14.168 -2.897 1.00 1.27 C ATOM 879 O ASP A 56 17.091 -13.844 -3.470 1.00 1.44 O ATOM 880 CB ASP A 56 19.275 -16.198 -3.830 1.00 2.13 C ATOM 881 CG ASP A 56 18.712 -15.818 -5.190 1.00 2.83 C ATOM 882 OD1 ASP A 56 17.671 -16.375 -5.593 1.00 3.39 O ATOM 883 OD2 ASP A 56 19.318 -14.959 -5.867 1.00 3.44 O ATOM 0 H ASP A 56 16.449 -16.071 -3.073 1.00 1.36 H new ATOM 0 HA ASP A 56 19.046 -15.726 -1.745 1.00 1.50 H new ATOM 0 HB2 ASP A 56 20.300 -15.835 -3.754 1.00 2.13 H new ATOM 0 HB3 ASP A 56 19.315 -17.284 -3.751 1.00 2.13 H new ATOM 888 N PRO A 57 19.023 -13.262 -2.454 1.00 1.06 N ATOM 889 CA PRO A 57 18.822 -11.803 -2.545 1.00 1.02 C ATOM 890 C PRO A 57 18.761 -11.287 -3.976 1.00 0.75 C ATOM 891 O PRO A 57 18.479 -10.109 -4.204 1.00 0.70 O ATOM 892 CB PRO A 57 20.046 -11.229 -1.831 1.00 1.20 C ATOM 893 CG PRO A 57 21.069 -12.304 -1.931 1.00 1.20 C ATOM 894 CD PRO A 57 20.307 -13.587 -1.814 1.00 1.14 C ATOM 0 HA PRO A 57 17.867 -11.511 -2.107 1.00 1.02 H new ATOM 0 HB2 PRO A 57 20.388 -10.309 -2.306 1.00 1.20 H new ATOM 0 HB3 PRO A 57 19.823 -10.988 -0.792 1.00 1.20 H new ATOM 0 HG2 PRO A 57 21.605 -12.250 -2.879 1.00 1.20 H new ATOM 0 HG3 PRO A 57 21.812 -12.214 -1.139 1.00 1.20 H new ATOM 0 HD2 PRO A 57 20.815 -14.407 -2.321 1.00 1.14 H new ATOM 0 HD3 PRO A 57 20.176 -13.887 -0.774 1.00 1.14 H new ATOM 902 N GLY A 58 19.014 -12.167 -4.937 1.00 0.67 N ATOM 903 CA GLY A 58 18.887 -11.800 -6.331 1.00 0.56 C ATOM 904 C GLY A 58 17.460 -11.456 -6.684 1.00 0.49 C ATOM 905 O GLY A 58 17.191 -10.835 -7.709 1.00 0.48 O ATOM 0 H GLY A 58 19.306 -13.131 -4.773 1.00 0.67 H new ATOM 0 HA2 GLY A 58 19.531 -10.947 -6.544 1.00 0.56 H new ATOM 0 HA3 GLY A 58 19.230 -12.623 -6.958 1.00 0.56 H new ATOM 909 N VAL A 59 16.537 -11.864 -5.827 1.00 0.52 N ATOM 910 CA VAL A 59 15.139 -11.521 -5.995 1.00 0.52 C ATOM 911 C VAL A 59 14.929 -10.028 -5.843 1.00 0.49 C ATOM 912 O VAL A 59 14.168 -9.431 -6.593 1.00 0.49 O ATOM 913 CB VAL A 59 14.237 -12.265 -4.991 1.00 0.61 C ATOM 914 CG1 VAL A 59 14.686 -12.006 -3.561 1.00 0.65 C ATOM 915 CG2 VAL A 59 12.785 -11.850 -5.173 1.00 0.66 C ATOM 0 H VAL A 59 16.735 -12.435 -5.006 1.00 0.52 H new ATOM 0 HA VAL A 59 14.859 -11.830 -7.002 1.00 0.52 H new ATOM 0 HB VAL A 59 14.323 -13.334 -5.186 1.00 0.61 H new ATOM 0 HG11 VAL A 59 14.033 -12.542 -2.872 1.00 0.65 H new ATOM 0 HG12 VAL A 59 15.712 -12.352 -3.433 1.00 0.65 H new ATOM 0 HG13 VAL A 59 14.635 -10.938 -3.352 1.00 0.65 H new ATOM 0 HG21 VAL A 59 12.161 -12.384 -4.456 1.00 0.66 H new ATOM 0 HG22 VAL A 59 12.690 -10.777 -5.007 1.00 0.66 H new ATOM 0 HG23 VAL A 59 12.462 -12.091 -6.186 1.00 0.66 H new ATOM 925 N LEU A 60 15.631 -9.424 -4.893 1.00 0.48 N ATOM 926 CA LEU A 60 15.504 -7.992 -4.651 1.00 0.46 C ATOM 927 C LEU A 60 15.933 -7.243 -5.896 1.00 0.43 C ATOM 928 O LEU A 60 15.483 -6.132 -6.176 1.00 0.41 O ATOM 929 CB LEU A 60 16.371 -7.550 -3.471 1.00 0.48 C ATOM 930 CG LEU A 60 16.337 -8.468 -2.248 1.00 0.51 C ATOM 931 CD1 LEU A 60 17.134 -7.863 -1.104 1.00 0.51 C ATOM 932 CD2 LEU A 60 14.908 -8.737 -1.824 1.00 0.52 C ATOM 0 H LEU A 60 16.292 -9.901 -4.279 1.00 0.48 H new ATOM 0 HA LEU A 60 14.464 -7.771 -4.411 1.00 0.46 H new ATOM 0 HB2 LEU A 60 17.403 -7.466 -3.812 1.00 0.48 H new ATOM 0 HB3 LEU A 60 16.055 -6.553 -3.164 1.00 0.48 H new ATOM 0 HG LEU A 60 16.797 -9.419 -2.518 1.00 0.51 H new ATOM 0 HD11 LEU A 60 17.098 -8.530 -0.243 1.00 0.51 H new ATOM 0 HD12 LEU A 60 18.170 -7.726 -1.414 1.00 0.51 H new ATOM 0 HD13 LEU A 60 16.706 -6.898 -0.833 1.00 0.51 H new ATOM 0 HD21 LEU A 60 14.904 -9.392 -0.953 1.00 0.52 H new ATOM 0 HD22 LEU A 60 14.420 -7.795 -1.573 1.00 0.52 H new ATOM 0 HD23 LEU A 60 14.370 -9.218 -2.641 1.00 0.52 H new ATOM 944 N ASP A 61 16.800 -7.899 -6.646 1.00 0.46 N ATOM 945 CA ASP A 61 17.304 -7.372 -7.903 1.00 0.46 C ATOM 946 C ASP A 61 16.197 -7.371 -8.938 1.00 0.47 C ATOM 947 O ASP A 61 16.048 -6.431 -9.724 1.00 0.51 O ATOM 948 CB ASP A 61 18.478 -8.221 -8.396 1.00 0.47 C ATOM 949 CG ASP A 61 19.149 -7.643 -9.626 1.00 0.48 C ATOM 950 OD1 ASP A 61 20.017 -6.759 -9.476 1.00 1.22 O ATOM 951 OD2 ASP A 61 18.812 -8.069 -10.748 1.00 1.19 O ATOM 0 H ASP A 61 17.176 -8.815 -6.401 1.00 0.46 H new ATOM 0 HA ASP A 61 17.650 -6.350 -7.747 1.00 0.46 H new ATOM 0 HB2 ASP A 61 19.214 -8.314 -7.597 1.00 0.47 H new ATOM 0 HB3 ASP A 61 18.123 -9.227 -8.621 1.00 0.47 H new ATOM 956 N ARG A 62 15.409 -8.430 -8.903 1.00 0.47 N ATOM 957 CA ARG A 62 14.291 -8.597 -9.811 1.00 0.51 C ATOM 958 C ARG A 62 13.174 -7.635 -9.441 1.00 0.50 C ATOM 959 O ARG A 62 12.529 -7.053 -10.312 1.00 0.56 O ATOM 960 CB ARG A 62 13.792 -10.039 -9.747 1.00 0.55 C ATOM 961 CG ARG A 62 14.910 -11.061 -9.876 1.00 0.55 C ATOM 962 CD ARG A 62 14.385 -12.481 -9.829 1.00 0.62 C ATOM 963 NE ARG A 62 13.358 -12.722 -10.842 1.00 1.45 N ATOM 964 CZ ARG A 62 12.888 -13.927 -11.158 1.00 1.97 C ATOM 965 NH1 ARG A 62 13.383 -15.013 -10.575 1.00 1.66 N ATOM 966 NH2 ARG A 62 11.929 -14.046 -12.067 1.00 3.02 N ATOM 0 H ARG A 62 15.527 -9.199 -8.243 1.00 0.47 H new ATOM 0 HA ARG A 62 14.615 -8.378 -10.828 1.00 0.51 H new ATOM 0 HB2 ARG A 62 13.271 -10.196 -8.802 1.00 0.55 H new ATOM 0 HB3 ARG A 62 13.065 -10.202 -10.543 1.00 0.55 H new ATOM 0 HG2 ARG A 62 15.441 -10.901 -10.814 1.00 0.55 H new ATOM 0 HG3 ARG A 62 15.631 -10.914 -9.072 1.00 0.55 H new ATOM 0 HD2 ARG A 62 15.210 -13.177 -9.978 1.00 0.62 H new ATOM 0 HD3 ARG A 62 13.972 -12.682 -8.840 1.00 0.62 H new ATOM 0 HE ARG A 62 12.978 -11.916 -11.338 1.00 1.45 H new ATOM 0 HH11 ARG A 62 14.126 -14.926 -9.882 1.00 1.66 H new ATOM 0 HH12 ARG A 62 13.020 -15.934 -10.820 1.00 1.66 H new ATOM 0 HH21 ARG A 62 11.553 -13.215 -12.523 1.00 3.02 H new ATOM 0 HH22 ARG A 62 11.568 -14.969 -12.310 1.00 3.02 H new ATOM 980 N MET A 63 12.968 -7.462 -8.138 1.00 0.45 N ATOM 981 CA MET A 63 11.971 -6.524 -7.635 1.00 0.44 C ATOM 982 C MET A 63 12.317 -5.134 -8.120 1.00 0.41 C ATOM 983 O MET A 63 11.528 -4.493 -8.807 1.00 0.42 O ATOM 984 CB MET A 63 11.929 -6.496 -6.105 1.00 0.43 C ATOM 985 CG MET A 63 11.985 -7.863 -5.440 1.00 0.49 C ATOM 986 SD MET A 63 10.497 -8.849 -5.707 1.00 0.64 S ATOM 987 CE MET A 63 9.286 -7.899 -4.792 1.00 1.54 C ATOM 0 H MET A 63 13.480 -7.961 -7.411 1.00 0.45 H new ATOM 0 HA MET A 63 10.997 -6.848 -8.002 1.00 0.44 H new ATOM 0 HB2 MET A 63 12.765 -5.897 -5.744 1.00 0.43 H new ATOM 0 HB3 MET A 63 11.016 -5.991 -5.790 1.00 0.43 H new ATOM 0 HG2 MET A 63 12.848 -8.410 -5.821 1.00 0.49 H new ATOM 0 HG3 MET A 63 12.138 -7.732 -4.369 1.00 0.49 H new ATOM 0 HE1 MET A 63 8.545 -8.572 -4.362 1.00 1.54 H new ATOM 0 HE2 MET A 63 9.783 -7.349 -3.993 1.00 1.54 H new ATOM 0 HE3 MET A 63 8.792 -7.196 -5.463 1.00 1.54 H new ATOM 997 N MET A 64 13.527 -4.697 -7.768 1.00 0.41 N ATOM 998 CA MET A 64 14.020 -3.378 -8.138 1.00 0.42 C ATOM 999 C MET A 64 13.770 -3.088 -9.608 1.00 0.44 C ATOM 1000 O MET A 64 13.082 -2.142 -9.934 1.00 0.41 O ATOM 1001 CB MET A 64 15.517 -3.255 -7.832 1.00 0.55 C ATOM 1002 CG MET A 64 16.163 -2.001 -8.413 1.00 0.65 C ATOM 1003 SD MET A 64 15.416 -0.473 -7.819 1.00 1.87 S ATOM 1004 CE MET A 64 15.830 -0.531 -6.081 1.00 2.41 C ATOM 0 H MET A 64 14.188 -5.248 -7.220 1.00 0.41 H new ATOM 0 HA MET A 64 13.473 -2.645 -7.545 1.00 0.42 H new ATOM 0 HB2 MET A 64 15.659 -3.258 -6.751 1.00 0.55 H new ATOM 0 HB3 MET A 64 16.032 -4.132 -8.224 1.00 0.55 H new ATOM 0 HG2 MET A 64 17.224 -1.999 -8.164 1.00 0.65 H new ATOM 0 HG3 MET A 64 16.091 -2.034 -9.500 1.00 0.65 H new ATOM 0 HE1 MET A 64 14.927 -0.709 -5.498 1.00 2.41 H new ATOM 0 HE2 MET A 64 16.541 -1.337 -5.903 1.00 2.41 H new ATOM 0 HE3 MET A 64 16.275 0.418 -5.781 1.00 2.41 H new ATOM 1014 N LYS A 65 14.279 -3.933 -10.489 1.00 0.52 N ATOM 1015 CA LYS A 65 14.218 -3.643 -11.920 1.00 0.56 C ATOM 1016 C LYS A 65 12.798 -3.750 -12.475 1.00 0.54 C ATOM 1017 O LYS A 65 12.494 -3.170 -13.516 1.00 0.60 O ATOM 1018 CB LYS A 65 15.176 -4.540 -12.699 1.00 0.66 C ATOM 1019 CG LYS A 65 16.640 -4.300 -12.353 1.00 0.79 C ATOM 1020 CD LYS A 65 17.020 -2.822 -12.446 1.00 0.86 C ATOM 1021 CE LYS A 65 16.810 -2.259 -13.845 1.00 1.57 C ATOM 1022 NZ LYS A 65 17.119 -0.804 -13.911 1.00 2.49 N ATOM 0 H LYS A 65 14.734 -4.814 -10.248 1.00 0.52 H new ATOM 0 HA LYS A 65 14.532 -2.607 -12.048 1.00 0.56 H new ATOM 0 HB2 LYS A 65 14.929 -5.583 -12.501 1.00 0.66 H new ATOM 0 HB3 LYS A 65 15.030 -4.375 -13.767 1.00 0.66 H new ATOM 0 HG2 LYS A 65 16.837 -4.661 -11.344 1.00 0.79 H new ATOM 0 HG3 LYS A 65 17.271 -4.879 -13.028 1.00 0.79 H new ATOM 0 HD2 LYS A 65 16.425 -2.251 -11.734 1.00 0.86 H new ATOM 0 HD3 LYS A 65 18.065 -2.699 -12.160 1.00 0.86 H new ATOM 0 HE2 LYS A 65 17.443 -2.797 -14.551 1.00 1.57 H new ATOM 0 HE3 LYS A 65 15.777 -2.425 -14.152 1.00 1.57 H new ATOM 0 HZ1 LYS A 65 17.444 -0.561 -14.869 1.00 2.49 H new ATOM 0 HZ2 LYS A 65 16.264 -0.257 -13.686 1.00 2.49 H new ATOM 0 HZ3 LYS A 65 17.866 -0.576 -13.224 1.00 2.49 H new ATOM 1036 N LYS A 66 11.938 -4.492 -11.791 1.00 0.50 N ATOM 1037 CA LYS A 66 10.532 -4.565 -12.169 1.00 0.52 C ATOM 1038 C LYS A 66 9.816 -3.274 -11.796 1.00 0.48 C ATOM 1039 O LYS A 66 8.982 -2.761 -12.544 1.00 0.55 O ATOM 1040 CB LYS A 66 9.849 -5.736 -11.461 1.00 0.55 C ATOM 1041 CG LYS A 66 8.357 -5.817 -11.734 1.00 0.91 C ATOM 1042 CD LYS A 66 7.710 -7.005 -11.037 1.00 0.96 C ATOM 1043 CE LYS A 66 7.886 -6.944 -9.525 1.00 0.73 C ATOM 1044 NZ LYS A 66 7.193 -8.068 -8.845 1.00 1.47 N ATOM 0 H LYS A 66 12.187 -5.050 -10.974 1.00 0.50 H new ATOM 0 HA LYS A 66 10.479 -4.713 -13.248 1.00 0.52 H new ATOM 0 HB2 LYS A 66 10.320 -6.667 -11.777 1.00 0.55 H new ATOM 0 HB3 LYS A 66 10.010 -5.646 -10.387 1.00 0.55 H new ATOM 0 HG2 LYS A 66 7.878 -4.897 -11.400 1.00 0.91 H new ATOM 0 HG3 LYS A 66 8.189 -5.892 -12.808 1.00 0.91 H new ATOM 0 HD2 LYS A 66 6.647 -7.032 -11.278 1.00 0.96 H new ATOM 0 HD3 LYS A 66 8.146 -7.929 -11.416 1.00 0.96 H new ATOM 0 HE2 LYS A 66 8.948 -6.970 -9.281 1.00 0.73 H new ATOM 0 HE3 LYS A 66 7.497 -5.997 -9.151 1.00 0.73 H new ATOM 0 HZ1 LYS A 66 7.335 -7.993 -7.818 1.00 1.47 H new ATOM 0 HZ2 LYS A 66 6.176 -8.028 -9.058 1.00 1.47 H new ATOM 0 HZ3 LYS A 66 7.582 -8.971 -9.183 1.00 1.47 H new ATOM 1058 N LEU A 67 10.158 -2.756 -10.632 1.00 0.41 N ATOM 1059 CA LEU A 67 9.485 -1.600 -10.066 1.00 0.39 C ATOM 1060 C LEU A 67 10.119 -0.305 -10.546 1.00 0.40 C ATOM 1061 O LEU A 67 9.442 0.717 -10.641 1.00 0.46 O ATOM 1062 CB LEU A 67 9.581 -1.670 -8.559 1.00 0.34 C ATOM 1063 CG LEU A 67 9.162 -3.005 -7.948 1.00 0.33 C ATOM 1064 CD1 LEU A 67 9.606 -3.078 -6.503 1.00 0.30 C ATOM 1065 CD2 LEU A 67 7.661 -3.214 -8.068 1.00 0.37 C ATOM 0 H LEU A 67 10.911 -3.124 -10.051 1.00 0.41 H new ATOM 0 HA LEU A 67 8.444 -1.611 -10.387 1.00 0.39 H new ATOM 0 HB2 LEU A 67 10.609 -1.460 -8.265 1.00 0.34 H new ATOM 0 HB3 LEU A 67 8.960 -0.882 -8.133 1.00 0.34 H new ATOM 0 HG LEU A 67 9.650 -3.807 -8.502 1.00 0.33 H new ATOM 0 HD11 LEU A 67 9.302 -4.034 -6.077 1.00 0.30 H new ATOM 0 HD12 LEU A 67 10.691 -2.986 -6.451 1.00 0.30 H new ATOM 0 HD13 LEU A 67 9.145 -2.267 -5.939 1.00 0.30 H new ATOM 0 HD21 LEU A 67 7.391 -4.172 -7.625 1.00 0.37 H new ATOM 0 HD22 LEU A 67 7.139 -2.412 -7.545 1.00 0.37 H new ATOM 0 HD23 LEU A 67 7.376 -3.207 -9.120 1.00 0.37 H new ATOM 1077 N ASP A 68 11.427 -0.371 -10.804 1.00 0.40 N ATOM 1078 CA ASP A 68 12.217 0.754 -11.311 1.00 0.42 C ATOM 1079 C ASP A 68 11.719 1.158 -12.684 1.00 0.52 C ATOM 1080 O ASP A 68 12.316 0.868 -13.724 1.00 0.56 O ATOM 1081 CB ASP A 68 13.701 0.365 -11.338 1.00 0.43 C ATOM 1082 CG ASP A 68 14.600 1.345 -12.079 1.00 0.46 C ATOM 1083 OD1 ASP A 68 14.668 2.530 -11.695 1.00 1.23 O ATOM 1084 OD2 ASP A 68 15.271 0.912 -13.047 1.00 1.13 O ATOM 0 H ASP A 68 11.975 -1.220 -10.665 1.00 0.40 H new ATOM 0 HA ASP A 68 12.104 1.615 -10.652 1.00 0.42 H new ATOM 0 HB2 ASP A 68 14.057 0.270 -10.312 1.00 0.43 H new ATOM 0 HB3 ASP A 68 13.797 -0.617 -11.801 1.00 0.43 H new ATOM 1089 N THR A 69 10.587 1.802 -12.657 1.00 0.59 N ATOM 1090 CA THR A 69 9.918 2.269 -13.837 1.00 0.74 C ATOM 1091 C THR A 69 10.504 3.607 -14.256 1.00 0.84 C ATOM 1092 O THR A 69 10.370 4.038 -15.403 1.00 0.99 O ATOM 1093 CB THR A 69 8.408 2.380 -13.559 1.00 0.79 C ATOM 1094 OG1 THR A 69 7.669 2.388 -14.788 1.00 0.90 O ATOM 1095 CG2 THR A 69 8.089 3.640 -12.769 1.00 0.83 C ATOM 0 H THR A 69 10.092 2.022 -11.793 1.00 0.59 H new ATOM 0 HA THR A 69 10.063 1.564 -14.655 1.00 0.74 H new ATOM 0 HB THR A 69 8.116 1.512 -12.968 1.00 0.79 H new ATOM 0 HG1 THR A 69 6.711 2.457 -14.593 1.00 0.90 H new ATOM 0 HG21 THR A 69 7.016 3.693 -12.587 1.00 0.83 H new ATOM 0 HG22 THR A 69 8.618 3.616 -11.816 1.00 0.83 H new ATOM 0 HG23 THR A 69 8.404 4.515 -13.337 1.00 0.83 H new ATOM 1103 N ASN A 70 11.179 4.240 -13.307 1.00 0.80 N ATOM 1104 CA ASN A 70 11.891 5.479 -13.551 1.00 0.94 C ATOM 1105 C ASN A 70 13.198 5.179 -14.260 1.00 0.86 C ATOM 1106 O ASN A 70 13.847 6.056 -14.832 1.00 0.97 O ATOM 1107 CB ASN A 70 12.166 6.160 -12.218 1.00 1.01 C ATOM 1108 CG ASN A 70 12.753 7.551 -12.360 1.00 1.25 C ATOM 1109 OD1 ASN A 70 12.460 8.274 -13.311 1.00 1.46 O ATOM 1110 ND2 ASN A 70 13.599 7.930 -11.413 1.00 1.66 N ATOM 0 H ASN A 70 11.246 3.906 -12.346 1.00 0.80 H new ATOM 0 HA ASN A 70 11.291 6.138 -14.179 1.00 0.94 H new ATOM 0 HB2 ASN A 70 11.236 6.222 -11.652 1.00 1.01 H new ATOM 0 HB3 ASN A 70 12.852 5.542 -11.638 1.00 1.01 H new ATOM 0 HD21 ASN A 70 14.034 8.852 -11.457 1.00 1.66 H new ATOM 0 HD22 ASN A 70 13.815 7.300 -10.641 1.00 1.66 H new ATOM 1117 N SER A 71 13.552 3.897 -14.211 1.00 0.70 N ATOM 1118 CA SER A 71 14.709 3.355 -14.901 1.00 0.66 C ATOM 1119 C SER A 71 15.992 4.052 -14.475 1.00 0.61 C ATOM 1120 O SER A 71 16.878 4.312 -15.291 1.00 0.65 O ATOM 1121 CB SER A 71 14.510 3.446 -16.413 1.00 0.82 C ATOM 1122 OG SER A 71 13.297 2.817 -16.793 1.00 1.47 O ATOM 0 H SER A 71 13.031 3.198 -13.681 1.00 0.70 H new ATOM 0 HA SER A 71 14.807 2.305 -14.625 1.00 0.66 H new ATOM 0 HB2 SER A 71 14.497 4.491 -16.722 1.00 0.82 H new ATOM 0 HB3 SER A 71 15.348 2.973 -16.925 1.00 0.82 H new ATOM 0 HG SER A 71 13.183 2.885 -17.764 1.00 1.47 H new ATOM 1128 N ASP A 72 16.089 4.334 -13.189 1.00 0.58 N ATOM 1129 CA ASP A 72 17.264 4.988 -12.639 1.00 0.65 C ATOM 1130 C ASP A 72 18.014 4.020 -11.738 1.00 0.56 C ATOM 1131 O ASP A 72 19.204 4.189 -11.469 1.00 0.66 O ATOM 1132 CB ASP A 72 16.863 6.243 -11.855 1.00 0.80 C ATOM 1133 CG ASP A 72 18.062 7.012 -11.332 1.00 0.93 C ATOM 1134 OD1 ASP A 72 18.665 7.780 -12.111 1.00 1.56 O ATOM 1135 OD2 ASP A 72 18.406 6.857 -10.144 1.00 1.53 O ATOM 0 H ASP A 72 15.366 4.120 -12.503 1.00 0.58 H new ATOM 0 HA ASP A 72 17.916 5.291 -13.458 1.00 0.65 H new ATOM 0 HB2 ASP A 72 16.270 6.894 -12.497 1.00 0.80 H new ATOM 0 HB3 ASP A 72 16.227 5.956 -11.018 1.00 0.80 H new ATOM 1140 N GLY A 73 17.325 2.974 -11.313 1.00 0.45 N ATOM 1141 CA GLY A 73 17.928 2.003 -10.427 1.00 0.46 C ATOM 1142 C GLY A 73 17.537 2.259 -8.993 1.00 0.41 C ATOM 1143 O GLY A 73 18.219 1.825 -8.061 1.00 0.44 O ATOM 0 H GLY A 73 16.356 2.780 -11.567 1.00 0.45 H new ATOM 0 HA2 GLY A 73 17.618 0.999 -10.718 1.00 0.46 H new ATOM 0 HA3 GLY A 73 19.013 2.042 -10.524 1.00 0.46 H new ATOM 1147 N GLN A 74 16.444 2.985 -8.825 1.00 0.38 N ATOM 1148 CA GLN A 74 15.914 3.304 -7.518 1.00 0.37 C ATOM 1149 C GLN A 74 14.404 3.212 -7.575 1.00 0.36 C ATOM 1150 O GLN A 74 13.822 3.238 -8.656 1.00 0.39 O ATOM 1151 CB GLN A 74 16.302 4.720 -7.084 1.00 0.38 C ATOM 1152 CG GLN A 74 17.784 5.028 -7.192 1.00 0.42 C ATOM 1153 CD GLN A 74 18.170 6.327 -6.516 1.00 0.50 C ATOM 1154 OE1 GLN A 74 17.394 7.277 -6.473 1.00 1.03 O ATOM 1155 NE2 GLN A 74 19.374 6.370 -5.974 1.00 1.25 N ATOM 0 H GLN A 74 15.900 3.369 -9.598 1.00 0.38 H new ATOM 0 HA GLN A 74 16.328 2.599 -6.797 1.00 0.37 H new ATOM 0 HB2 GLN A 74 15.750 5.437 -7.692 1.00 0.38 H new ATOM 0 HB3 GLN A 74 15.987 4.869 -6.051 1.00 0.38 H new ATOM 0 HG2 GLN A 74 18.352 4.211 -6.748 1.00 0.42 H new ATOM 0 HG3 GLN A 74 18.064 5.076 -8.244 1.00 0.42 H new ATOM 0 HE21 GLN A 74 19.989 5.558 -6.032 1.00 1.25 H new ATOM 0 HE22 GLN A 74 19.689 7.215 -5.498 1.00 1.25 H new ATOM 1164 N LEU A 75 13.777 3.116 -6.424 1.00 0.33 N ATOM 1165 CA LEU A 75 12.330 3.055 -6.367 1.00 0.32 C ATOM 1166 C LEU A 75 11.763 4.279 -5.709 1.00 0.32 C ATOM 1167 O LEU A 75 12.008 4.541 -4.533 1.00 0.32 O ATOM 1168 CB LEU A 75 11.861 1.818 -5.625 1.00 0.31 C ATOM 1169 CG LEU A 75 12.335 0.508 -6.232 1.00 0.33 C ATOM 1170 CD1 LEU A 75 11.717 -0.663 -5.497 1.00 0.35 C ATOM 1171 CD2 LEU A 75 11.995 0.465 -7.713 1.00 0.35 C ATOM 0 H LEU A 75 14.242 3.078 -5.517 1.00 0.33 H new ATOM 0 HA LEU A 75 11.970 3.006 -7.395 1.00 0.32 H new ATOM 0 HB2 LEU A 75 12.208 1.874 -4.593 1.00 0.31 H new ATOM 0 HB3 LEU A 75 10.771 1.818 -5.595 1.00 0.31 H new ATOM 0 HG LEU A 75 13.418 0.439 -6.129 1.00 0.33 H new ATOM 0 HD11 LEU A 75 12.064 -1.596 -5.941 1.00 0.35 H new ATOM 0 HD12 LEU A 75 12.010 -0.630 -4.448 1.00 0.35 H new ATOM 0 HD13 LEU A 75 10.631 -0.608 -5.572 1.00 0.35 H new ATOM 0 HD21 LEU A 75 12.339 -0.478 -8.138 1.00 0.35 H new ATOM 0 HD22 LEU A 75 10.916 0.548 -7.841 1.00 0.35 H new ATOM 0 HD23 LEU A 75 12.486 1.294 -8.223 1.00 0.35 H new ATOM 1183 N ASP A 76 11.020 5.033 -6.480 1.00 0.35 N ATOM 1184 CA ASP A 76 10.373 6.220 -5.980 1.00 0.36 C ATOM 1185 C ASP A 76 9.107 5.868 -5.243 1.00 0.33 C ATOM 1186 O ASP A 76 8.745 4.700 -5.110 1.00 0.32 O ATOM 1187 CB ASP A 76 10.100 7.197 -7.126 1.00 0.44 C ATOM 1188 CG ASP A 76 8.643 7.258 -7.574 1.00 0.91 C ATOM 1189 OD1 ASP A 76 8.080 6.223 -7.991 1.00 1.45 O ATOM 1190 OD2 ASP A 76 8.056 8.357 -7.510 1.00 1.68 O ATOM 0 H ASP A 76 10.847 4.843 -7.467 1.00 0.35 H new ATOM 0 HA ASP A 76 11.040 6.710 -5.270 1.00 0.36 H new ATOM 0 HB2 ASP A 76 10.414 8.194 -6.818 1.00 0.44 H new ATOM 0 HB3 ASP A 76 10.718 6.917 -7.979 1.00 0.44 H new ATOM 1195 N PHE A 77 8.477 6.903 -4.747 1.00 0.41 N ATOM 1196 CA PHE A 77 7.231 6.830 -4.028 1.00 0.49 C ATOM 1197 C PHE A 77 6.272 5.790 -4.621 1.00 0.39 C ATOM 1198 O PHE A 77 5.866 4.856 -3.935 1.00 0.39 O ATOM 1199 CB PHE A 77 6.632 8.218 -4.099 1.00 0.72 C ATOM 1200 CG PHE A 77 7.486 9.265 -3.447 1.00 1.76 C ATOM 1201 CD1 PHE A 77 7.481 9.432 -2.075 1.00 2.56 C ATOM 1202 CD2 PHE A 77 8.308 10.077 -4.214 1.00 2.66 C ATOM 1203 CE1 PHE A 77 8.278 10.389 -1.477 1.00 3.67 C ATOM 1204 CE2 PHE A 77 9.108 11.034 -3.623 1.00 3.77 C ATOM 1205 CZ PHE A 77 9.093 11.190 -2.253 1.00 4.15 C ATOM 0 H PHE A 77 8.832 7.855 -4.837 1.00 0.41 H new ATOM 0 HA PHE A 77 7.403 6.511 -3.000 1.00 0.49 H new ATOM 0 HB2 PHE A 77 6.475 8.486 -5.144 1.00 0.72 H new ATOM 0 HB3 PHE A 77 5.652 8.209 -3.621 1.00 0.72 H new ATOM 0 HD1 PHE A 77 6.847 8.807 -1.463 1.00 2.56 H new ATOM 0 HD2 PHE A 77 8.322 9.959 -5.287 1.00 2.66 H new ATOM 0 HE1 PHE A 77 8.264 10.511 -0.404 1.00 3.67 H new ATOM 0 HE2 PHE A 77 9.744 11.659 -4.232 1.00 3.77 H new ATOM 0 HZ PHE A 77 9.718 11.938 -1.787 1.00 4.15 H new ATOM 1215 N SER A 78 5.943 5.942 -5.898 1.00 0.39 N ATOM 1216 CA SER A 78 5.014 5.040 -6.568 1.00 0.38 C ATOM 1217 C SER A 78 5.647 3.685 -6.895 1.00 0.38 C ATOM 1218 O SER A 78 4.961 2.668 -6.899 1.00 0.44 O ATOM 1219 CB SER A 78 4.478 5.696 -7.842 1.00 0.45 C ATOM 1220 OG SER A 78 5.508 6.366 -8.557 1.00 1.31 O ATOM 0 H SER A 78 6.308 6.686 -6.493 1.00 0.39 H new ATOM 0 HA SER A 78 4.191 4.849 -5.879 1.00 0.38 H new ATOM 0 HB2 SER A 78 4.025 4.937 -8.480 1.00 0.45 H new ATOM 0 HB3 SER A 78 3.692 6.406 -7.584 1.00 0.45 H new ATOM 0 HG SER A 78 6.371 5.948 -8.355 1.00 1.31 H new ATOM 1226 N GLU A 79 6.948 3.665 -7.156 1.00 0.36 N ATOM 1227 CA GLU A 79 7.635 2.426 -7.501 1.00 0.42 C ATOM 1228 C GLU A 79 7.724 1.513 -6.283 1.00 0.33 C ATOM 1229 O GLU A 79 7.572 0.295 -6.387 1.00 0.33 O ATOM 1230 CB GLU A 79 9.020 2.745 -8.055 1.00 0.51 C ATOM 1231 CG GLU A 79 8.957 3.615 -9.295 1.00 0.64 C ATOM 1232 CD GLU A 79 10.308 4.118 -9.754 1.00 1.81 C ATOM 1233 OE1 GLU A 79 10.804 5.103 -9.178 1.00 2.54 O ATOM 1234 OE2 GLU A 79 10.853 3.556 -10.715 1.00 2.57 O ATOM 0 H GLU A 79 7.548 4.490 -7.136 1.00 0.36 H new ATOM 0 HA GLU A 79 7.069 1.900 -8.270 1.00 0.42 H new ATOM 0 HB2 GLU A 79 9.608 3.250 -7.289 1.00 0.51 H new ATOM 0 HB3 GLU A 79 9.537 1.815 -8.292 1.00 0.51 H new ATOM 0 HG2 GLU A 79 8.497 3.047 -10.104 1.00 0.64 H new ATOM 0 HG3 GLU A 79 8.309 4.469 -9.096 1.00 0.64 H new ATOM 1241 N PHE A 80 7.944 2.122 -5.129 1.00 0.28 N ATOM 1242 CA PHE A 80 7.925 1.411 -3.860 1.00 0.25 C ATOM 1243 C PHE A 80 6.519 0.916 -3.554 1.00 0.23 C ATOM 1244 O PHE A 80 6.330 -0.139 -2.957 1.00 0.26 O ATOM 1245 CB PHE A 80 8.395 2.339 -2.742 1.00 0.31 C ATOM 1246 CG PHE A 80 8.246 1.754 -1.372 1.00 0.71 C ATOM 1247 CD1 PHE A 80 9.097 0.757 -0.936 1.00 1.26 C ATOM 1248 CD2 PHE A 80 7.248 2.202 -0.520 1.00 1.60 C ATOM 1249 CE1 PHE A 80 8.956 0.214 0.323 1.00 1.56 C ATOM 1250 CE2 PHE A 80 7.105 1.665 0.741 1.00 1.98 C ATOM 1251 CZ PHE A 80 7.959 0.668 1.163 1.00 1.64 C ATOM 0 H PHE A 80 8.140 3.119 -5.045 1.00 0.28 H new ATOM 0 HA PHE A 80 8.595 0.554 -3.928 1.00 0.25 H new ATOM 0 HB2 PHE A 80 9.442 2.592 -2.908 1.00 0.31 H new ATOM 0 HB3 PHE A 80 7.831 3.270 -2.793 1.00 0.31 H new ATOM 0 HD1 PHE A 80 9.880 0.400 -1.588 1.00 1.26 H new ATOM 0 HD2 PHE A 80 6.575 2.980 -0.848 1.00 1.60 H new ATOM 0 HE1 PHE A 80 9.626 -0.567 0.652 1.00 1.56 H new ATOM 0 HE2 PHE A 80 6.326 2.024 1.397 1.00 1.98 H new ATOM 0 HZ PHE A 80 7.848 0.243 2.150 1.00 1.64 H new ATOM 1261 N LEU A 81 5.535 1.687 -3.968 1.00 0.25 N ATOM 1262 CA LEU A 81 4.151 1.333 -3.726 1.00 0.26 C ATOM 1263 C LEU A 81 3.678 0.282 -4.707 1.00 0.26 C ATOM 1264 O LEU A 81 2.797 -0.515 -4.394 1.00 0.27 O ATOM 1265 CB LEU A 81 3.279 2.567 -3.800 1.00 0.29 C ATOM 1266 CG LEU A 81 3.537 3.585 -2.687 1.00 0.28 C ATOM 1267 CD1 LEU A 81 2.649 4.796 -2.874 1.00 0.34 C ATOM 1268 CD2 LEU A 81 3.340 2.954 -1.303 1.00 0.29 C ATOM 0 H LEU A 81 5.667 2.563 -4.474 1.00 0.25 H new ATOM 0 HA LEU A 81 4.074 0.909 -2.725 1.00 0.26 H new ATOM 0 HB2 LEU A 81 3.436 3.052 -4.764 1.00 0.29 H new ATOM 0 HB3 LEU A 81 2.233 2.262 -3.763 1.00 0.29 H new ATOM 0 HG LEU A 81 4.576 3.910 -2.747 1.00 0.28 H new ATOM 0 HD11 LEU A 81 2.840 5.514 -2.077 1.00 0.34 H new ATOM 0 HD12 LEU A 81 2.862 5.258 -3.838 1.00 0.34 H new ATOM 0 HD13 LEU A 81 1.604 4.489 -2.842 1.00 0.34 H new ATOM 0 HD21 LEU A 81 3.530 3.701 -0.532 1.00 0.29 H new ATOM 0 HD22 LEU A 81 2.317 2.590 -1.211 1.00 0.29 H new ATOM 0 HD23 LEU A 81 4.033 2.122 -1.181 1.00 0.29 H new ATOM 1280 N ASN A 82 4.264 0.282 -5.892 1.00 0.26 N ATOM 1281 CA ASN A 82 4.052 -0.796 -6.835 1.00 0.26 C ATOM 1282 C ASN A 82 4.483 -2.098 -6.192 1.00 0.23 C ATOM 1283 O ASN A 82 3.806 -3.124 -6.283 1.00 0.25 O ATOM 1284 CB ASN A 82 4.872 -0.568 -8.106 1.00 0.30 C ATOM 1285 CG ASN A 82 4.197 0.359 -9.097 1.00 0.79 C ATOM 1286 OD1 ASN A 82 2.973 0.443 -9.151 1.00 1.51 O ATOM 1287 ND2 ASN A 82 4.991 1.054 -9.899 1.00 1.42 N ATOM 0 H ASN A 82 4.890 1.017 -6.221 1.00 0.26 H new ATOM 0 HA ASN A 82 2.996 -0.833 -7.102 1.00 0.26 H new ATOM 0 HB2 ASN A 82 5.843 -0.153 -7.834 1.00 0.30 H new ATOM 0 HB3 ASN A 82 5.059 -1.528 -8.587 1.00 0.30 H new ATOM 0 HD21 ASN A 82 4.589 1.686 -10.592 1.00 1.42 H new ATOM 0 HD22 ASN A 82 6.004 0.957 -9.823 1.00 1.42 H new ATOM 1294 N LEU A 83 5.633 -2.025 -5.542 1.00 0.23 N ATOM 1295 CA LEU A 83 6.149 -3.106 -4.730 1.00 0.24 C ATOM 1296 C LEU A 83 5.141 -3.527 -3.680 1.00 0.23 C ATOM 1297 O LEU A 83 4.777 -4.698 -3.583 1.00 0.25 O ATOM 1298 CB LEU A 83 7.407 -2.635 -4.030 1.00 0.27 C ATOM 1299 CG LEU A 83 7.776 -3.447 -2.803 1.00 0.31 C ATOM 1300 CD1 LEU A 83 8.308 -4.811 -3.210 1.00 0.35 C ATOM 1301 CD2 LEU A 83 8.768 -2.694 -1.939 1.00 0.36 C ATOM 0 H LEU A 83 6.238 -1.204 -5.566 1.00 0.23 H new ATOM 0 HA LEU A 83 6.358 -3.957 -5.378 1.00 0.24 H new ATOM 0 HB2 LEU A 83 8.236 -2.667 -4.736 1.00 0.27 H new ATOM 0 HB3 LEU A 83 7.278 -1.593 -3.737 1.00 0.27 H new ATOM 0 HG LEU A 83 6.878 -3.606 -2.205 1.00 0.31 H new ATOM 0 HD11 LEU A 83 8.568 -5.381 -2.318 1.00 0.35 H new ATOM 0 HD12 LEU A 83 7.543 -5.347 -3.773 1.00 0.35 H new ATOM 0 HD13 LEU A 83 9.195 -4.685 -3.832 1.00 0.35 H new ATOM 0 HD21 LEU A 83 9.019 -3.295 -1.065 1.00 0.36 H new ATOM 0 HD22 LEU A 83 9.673 -2.494 -2.513 1.00 0.36 H new ATOM 0 HD23 LEU A 83 8.327 -1.751 -1.617 1.00 0.36 H new ATOM 1313 N ILE A 84 4.720 -2.555 -2.883 1.00 0.24 N ATOM 1314 CA ILE A 84 3.745 -2.774 -1.832 1.00 0.26 C ATOM 1315 C ILE A 84 2.494 -3.448 -2.391 1.00 0.27 C ATOM 1316 O ILE A 84 1.868 -4.265 -1.722 1.00 0.29 O ATOM 1317 CB ILE A 84 3.385 -1.437 -1.149 1.00 0.29 C ATOM 1318 CG1 ILE A 84 4.599 -0.875 -0.403 1.00 0.55 C ATOM 1319 CG2 ILE A 84 2.195 -1.594 -0.205 1.00 0.47 C ATOM 1320 CD1 ILE A 84 5.148 -1.796 0.663 1.00 0.62 C ATOM 0 H ILE A 84 5.048 -1.591 -2.950 1.00 0.24 H new ATOM 0 HA ILE A 84 4.183 -3.437 -1.085 1.00 0.26 H new ATOM 0 HB ILE A 84 3.096 -0.731 -1.927 1.00 0.29 H new ATOM 0 HG12 ILE A 84 5.388 -0.660 -1.124 1.00 0.55 H new ATOM 0 HG13 ILE A 84 4.322 0.073 0.058 1.00 0.55 H new ATOM 0 HG21 ILE A 84 1.969 -0.634 0.258 1.00 0.47 H new ATOM 0 HG22 ILE A 84 1.327 -1.939 -0.768 1.00 0.47 H new ATOM 0 HG23 ILE A 84 2.438 -2.322 0.569 1.00 0.47 H new ATOM 0 HD11 ILE A 84 6.005 -1.325 1.144 1.00 0.62 H new ATOM 0 HD12 ILE A 84 4.376 -1.992 1.408 1.00 0.62 H new ATOM 0 HD13 ILE A 84 5.459 -2.736 0.207 1.00 0.62 H new ATOM 1332 N GLY A 85 2.163 -3.120 -3.634 1.00 0.26 N ATOM 1333 CA GLY A 85 1.066 -3.770 -4.314 1.00 0.29 C ATOM 1334 C GLY A 85 1.302 -5.259 -4.473 1.00 0.29 C ATOM 1335 O GLY A 85 0.432 -6.064 -4.156 1.00 0.33 O ATOM 0 H GLY A 85 2.642 -2.408 -4.185 1.00 0.26 H new ATOM 0 HA2 GLY A 85 0.144 -3.606 -3.755 1.00 0.29 H new ATOM 0 HA3 GLY A 85 0.928 -3.317 -5.296 1.00 0.29 H new ATOM 1339 N GLY A 86 2.500 -5.630 -4.917 1.00 0.28 N ATOM 1340 CA GLY A 86 2.800 -7.031 -5.150 1.00 0.31 C ATOM 1341 C GLY A 86 2.965 -7.776 -3.849 1.00 0.29 C ATOM 1342 O GLY A 86 2.585 -8.942 -3.726 1.00 0.35 O ATOM 0 H GLY A 86 3.266 -4.987 -5.119 1.00 0.28 H new ATOM 0 HA2 GLY A 86 1.999 -7.485 -5.733 1.00 0.31 H new ATOM 0 HA3 GLY A 86 3.712 -7.117 -5.740 1.00 0.31 H new ATOM 1346 N LEU A 87 3.524 -7.084 -2.874 1.00 0.25 N ATOM 1347 CA LEU A 87 3.688 -7.612 -1.532 1.00 0.25 C ATOM 1348 C LEU A 87 2.334 -7.897 -0.914 1.00 0.26 C ATOM 1349 O LEU A 87 2.069 -9.000 -0.436 1.00 0.29 O ATOM 1350 CB LEU A 87 4.423 -6.599 -0.666 1.00 0.25 C ATOM 1351 CG LEU A 87 5.927 -6.500 -0.874 1.00 0.26 C ATOM 1352 CD1 LEU A 87 6.451 -5.258 -0.182 1.00 0.26 C ATOM 1353 CD2 LEU A 87 6.628 -7.735 -0.330 1.00 0.35 C ATOM 0 H LEU A 87 3.879 -6.135 -2.991 1.00 0.25 H new ATOM 0 HA LEU A 87 4.263 -8.536 -1.589 1.00 0.25 H new ATOM 0 HB2 LEU A 87 3.987 -5.616 -0.845 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.238 -6.844 0.380 1.00 0.25 H new ATOM 0 HG LEU A 87 6.131 -6.435 -1.943 1.00 0.26 H new ATOM 0 HD11 LEU A 87 7.528 -5.186 -0.330 1.00 0.26 H new ATOM 0 HD12 LEU A 87 5.967 -4.376 -0.602 1.00 0.26 H new ATOM 0 HD13 LEU A 87 6.235 -5.317 0.885 1.00 0.26 H new ATOM 0 HD21 LEU A 87 7.702 -7.643 -0.489 1.00 0.35 H new ATOM 0 HD22 LEU A 87 6.426 -7.828 0.737 1.00 0.35 H new ATOM 0 HD23 LEU A 87 6.259 -8.620 -0.847 1.00 0.35 H new ATOM 1365 N ALA A 88 1.478 -6.887 -0.939 1.00 0.25 N ATOM 1366 CA ALA A 88 0.148 -6.998 -0.380 1.00 0.27 C ATOM 1367 C ALA A 88 -0.631 -8.079 -1.068 1.00 0.30 C ATOM 1368 O ALA A 88 -1.383 -8.804 -0.437 1.00 0.35 O ATOM 1369 CB ALA A 88 -0.607 -5.696 -0.506 1.00 0.27 C ATOM 0 H ALA A 88 1.688 -5.975 -1.345 1.00 0.25 H new ATOM 0 HA ALA A 88 0.262 -7.246 0.675 1.00 0.27 H new ATOM 0 HB1 ALA A 88 -1.603 -5.810 -0.078 1.00 0.27 H new ATOM 0 HB2 ALA A 88 -0.070 -4.911 0.027 1.00 0.27 H new ATOM 0 HB3 ALA A 88 -0.694 -5.426 -1.558 1.00 0.27 H new ATOM 1375 N MET A 89 -0.458 -8.172 -2.368 1.00 0.29 N ATOM 1376 CA MET A 89 -1.160 -9.164 -3.145 1.00 0.33 C ATOM 1377 C MET A 89 -0.673 -10.562 -2.807 1.00 0.34 C ATOM 1378 O MET A 89 -1.429 -11.524 -2.882 1.00 0.39 O ATOM 1379 CB MET A 89 -1.009 -8.877 -4.631 1.00 0.35 C ATOM 1380 CG MET A 89 -1.847 -7.701 -5.083 1.00 0.42 C ATOM 1381 SD MET A 89 -2.005 -7.609 -6.877 1.00 1.03 S ATOM 1382 CE MET A 89 -0.301 -7.344 -7.356 1.00 1.89 C ATOM 0 H MET A 89 0.164 -7.571 -2.908 1.00 0.29 H new ATOM 0 HA MET A 89 -2.219 -9.112 -2.893 1.00 0.33 H new ATOM 0 HB2 MET A 89 0.039 -8.679 -4.855 1.00 0.35 H new ATOM 0 HB3 MET A 89 -1.295 -9.762 -5.199 1.00 0.35 H new ATOM 0 HG2 MET A 89 -2.839 -7.775 -4.638 1.00 0.42 H new ATOM 0 HG3 MET A 89 -1.400 -6.778 -4.714 1.00 0.42 H new ATOM 0 HE1 MET A 89 -0.253 -7.125 -8.423 1.00 1.89 H new ATOM 0 HE2 MET A 89 0.108 -6.504 -6.794 1.00 1.89 H new ATOM 0 HE3 MET A 89 0.280 -8.241 -7.143 1.00 1.89 H new ATOM 1392 N ALA A 90 0.587 -10.664 -2.411 1.00 0.34 N ATOM 1393 CA ALA A 90 1.157 -11.939 -2.007 1.00 0.40 C ATOM 1394 C ALA A 90 0.593 -12.373 -0.659 1.00 0.42 C ATOM 1395 O ALA A 90 0.232 -13.536 -0.470 1.00 0.49 O ATOM 1396 CB ALA A 90 2.673 -11.848 -1.953 1.00 0.46 C ATOM 0 H ALA A 90 1.234 -9.877 -2.361 1.00 0.34 H new ATOM 0 HA ALA A 90 0.885 -12.691 -2.748 1.00 0.40 H new ATOM 0 HB1 ALA A 90 3.085 -12.810 -1.649 1.00 0.46 H new ATOM 0 HB2 ALA A 90 3.057 -11.584 -2.938 1.00 0.46 H new ATOM 0 HB3 ALA A 90 2.966 -11.084 -1.233 1.00 0.46 H new ATOM 1402 N CYS A 91 0.506 -11.427 0.271 1.00 0.41 N ATOM 1403 CA CYS A 91 -0.035 -11.703 1.597 1.00 0.47 C ATOM 1404 C CYS A 91 -1.550 -11.889 1.518 1.00 0.45 C ATOM 1405 O CYS A 91 -2.122 -12.716 2.226 1.00 0.51 O ATOM 1406 CB CYS A 91 0.327 -10.573 2.571 1.00 0.55 C ATOM 1407 SG CYS A 91 0.080 -10.989 4.314 1.00 1.76 S ATOM 0 H CYS A 91 0.804 -10.462 0.130 1.00 0.41 H new ATOM 0 HA CYS A 91 0.407 -12.626 1.972 1.00 0.47 H new ATOM 0 HB2 CYS A 91 1.371 -10.298 2.419 1.00 0.55 H new ATOM 0 HB3 CYS A 91 -0.272 -9.695 2.330 1.00 0.55 H new ATOM 0 HG CYS A 91 0.784 -10.186 5.056 1.00 1.76 H new ATOM 1413 N HIS A 92 -2.194 -11.128 0.639 1.00 0.41 N ATOM 1414 CA HIS A 92 -3.613 -11.311 0.364 1.00 0.46 C ATOM 1415 C HIS A 92 -3.843 -12.711 -0.165 1.00 0.45 C ATOM 1416 O HIS A 92 -4.674 -13.444 0.347 1.00 0.49 O ATOM 1417 CB HIS A 92 -4.129 -10.301 -0.666 1.00 0.54 C ATOM 1418 CG HIS A 92 -4.679 -9.031 -0.090 1.00 1.21 C ATOM 1419 ND1 HIS A 92 -5.896 -8.964 0.556 1.00 2.13 N ATOM 1420 CD2 HIS A 92 -4.204 -7.763 -0.120 1.00 1.96 C ATOM 1421 CE1 HIS A 92 -6.148 -7.714 0.890 1.00 2.74 C ATOM 1422 NE2 HIS A 92 -5.138 -6.964 0.494 1.00 2.62 N ATOM 0 H HIS A 92 -1.755 -10.378 0.105 1.00 0.41 H new ATOM 0 HA HIS A 92 -4.156 -11.155 1.296 1.00 0.46 H new ATOM 0 HB2 HIS A 92 -3.315 -10.051 -1.346 1.00 0.54 H new ATOM 0 HB3 HIS A 92 -4.907 -10.778 -1.262 1.00 0.54 H new ATOM 0 HD1 HIS A 92 -6.506 -9.759 0.746 1.00 2.13 H new ATOM 0 HD2 HIS A 92 -3.266 -7.440 -0.547 1.00 1.96 H new ATOM 0 HE1 HIS A 92 -7.032 -7.363 1.402 1.00 2.74 H new ATOM 1431 N ASP A 93 -3.077 -13.071 -1.185 1.00 0.45 N ATOM 1432 CA ASP A 93 -3.142 -14.398 -1.785 1.00 0.52 C ATOM 1433 C ASP A 93 -2.914 -15.480 -0.736 1.00 0.56 C ATOM 1434 O ASP A 93 -3.530 -16.540 -0.780 1.00 0.65 O ATOM 1435 CB ASP A 93 -2.099 -14.507 -2.892 1.00 0.54 C ATOM 1436 CG ASP A 93 -2.106 -15.856 -3.580 1.00 0.93 C ATOM 1437 OD1 ASP A 93 -2.998 -16.094 -4.419 1.00 1.48 O ATOM 1438 OD2 ASP A 93 -1.205 -16.675 -3.290 1.00 1.75 O ATOM 0 H ASP A 93 -2.393 -12.452 -1.621 1.00 0.45 H new ATOM 0 HA ASP A 93 -4.136 -14.544 -2.208 1.00 0.52 H new ATOM 0 HB2 ASP A 93 -2.279 -13.727 -3.632 1.00 0.54 H new ATOM 0 HB3 ASP A 93 -1.110 -14.325 -2.471 1.00 0.54 H new ATOM 1443 N SER A 94 -2.041 -15.191 0.218 1.00 0.54 N ATOM 1444 CA SER A 94 -1.799 -16.093 1.334 1.00 0.60 C ATOM 1445 C SER A 94 -3.093 -16.317 2.105 1.00 0.63 C ATOM 1446 O SER A 94 -3.464 -17.448 2.404 1.00 0.70 O ATOM 1447 CB SER A 94 -0.738 -15.506 2.262 1.00 0.65 C ATOM 1448 OG SER A 94 0.486 -15.290 1.574 1.00 1.27 O ATOM 0 H SER A 94 -1.486 -14.335 0.241 1.00 0.54 H new ATOM 0 HA SER A 94 -1.441 -17.047 0.947 1.00 0.60 H new ATOM 0 HB2 SER A 94 -1.096 -14.564 2.677 1.00 0.65 H new ATOM 0 HB3 SER A 94 -0.572 -16.181 3.101 1.00 0.65 H new ATOM 0 HG SER A 94 0.384 -14.539 0.953 1.00 1.27 H new ATOM 1454 N PHE A 95 -3.785 -15.221 2.385 1.00 0.60 N ATOM 1455 CA PHE A 95 -5.058 -15.262 3.086 1.00 0.66 C ATOM 1456 C PHE A 95 -6.124 -15.940 2.243 1.00 0.72 C ATOM 1457 O PHE A 95 -6.937 -16.691 2.749 1.00 0.84 O ATOM 1458 CB PHE A 95 -5.507 -13.848 3.449 1.00 0.64 C ATOM 1459 CG PHE A 95 -4.991 -13.383 4.780 1.00 0.78 C ATOM 1460 CD1 PHE A 95 -3.696 -12.911 4.913 1.00 1.80 C ATOM 1461 CD2 PHE A 95 -5.802 -13.427 5.901 1.00 1.30 C ATOM 1462 CE1 PHE A 95 -3.219 -12.492 6.139 1.00 2.35 C ATOM 1463 CE2 PHE A 95 -5.331 -13.011 7.130 1.00 1.76 C ATOM 1464 CZ PHE A 95 -4.038 -12.542 7.249 1.00 2.08 C ATOM 0 H PHE A 95 -3.479 -14.281 2.133 1.00 0.60 H new ATOM 0 HA PHE A 95 -4.921 -15.842 3.999 1.00 0.66 H new ATOM 0 HB2 PHE A 95 -5.170 -13.158 2.676 1.00 0.64 H new ATOM 0 HB3 PHE A 95 -6.596 -13.811 3.457 1.00 0.64 H new ATOM 0 HD1 PHE A 95 -3.051 -12.870 4.047 1.00 1.80 H new ATOM 0 HD2 PHE A 95 -6.815 -13.791 5.813 1.00 1.30 H new ATOM 0 HE1 PHE A 95 -2.207 -12.126 6.229 1.00 2.35 H new ATOM 0 HE2 PHE A 95 -5.973 -13.052 7.997 1.00 1.76 H new ATOM 0 HZ PHE A 95 -3.668 -12.215 8.209 1.00 2.08 H new ATOM 1474 N LEU A 96 -6.111 -15.680 0.954 1.00 0.69 N ATOM 1475 CA LEU A 96 -7.079 -16.276 0.048 1.00 0.81 C ATOM 1476 C LEU A 96 -6.862 -17.778 -0.041 1.00 0.90 C ATOM 1477 O LEU A 96 -7.794 -18.542 -0.279 1.00 1.09 O ATOM 1478 CB LEU A 96 -6.981 -15.627 -1.333 1.00 0.83 C ATOM 1479 CG LEU A 96 -7.833 -14.370 -1.530 1.00 0.87 C ATOM 1480 CD1 LEU A 96 -9.308 -14.724 -1.563 1.00 1.21 C ATOM 1481 CD2 LEU A 96 -7.555 -13.342 -0.443 1.00 1.08 C ATOM 0 H LEU A 96 -5.439 -15.058 0.504 1.00 0.69 H new ATOM 0 HA LEU A 96 -8.082 -16.100 0.437 1.00 0.81 H new ATOM 0 HB2 LEU A 96 -5.938 -15.372 -1.523 1.00 0.83 H new ATOM 0 HB3 LEU A 96 -7.271 -16.363 -2.083 1.00 0.83 H new ATOM 0 HG LEU A 96 -7.561 -13.928 -2.489 1.00 0.87 H new ATOM 0 HD11 LEU A 96 -9.897 -13.817 -1.704 1.00 1.21 H new ATOM 0 HD12 LEU A 96 -9.499 -15.412 -2.387 1.00 1.21 H new ATOM 0 HD13 LEU A 96 -9.590 -15.197 -0.622 1.00 1.21 H new ATOM 0 HD21 LEU A 96 -8.174 -12.460 -0.609 1.00 1.08 H new ATOM 0 HD22 LEU A 96 -7.788 -13.771 0.532 1.00 1.08 H new ATOM 0 HD23 LEU A 96 -6.503 -13.057 -0.472 1.00 1.08 H new ATOM 1493 N LYS A 97 -5.622 -18.187 0.167 1.00 0.83 N ATOM 1494 CA LYS A 97 -5.258 -19.594 0.179 1.00 0.93 C ATOM 1495 C LYS A 97 -5.273 -20.136 1.610 1.00 0.97 C ATOM 1496 O LYS A 97 -4.783 -21.233 1.874 1.00 1.12 O ATOM 1497 CB LYS A 97 -3.863 -19.782 -0.438 1.00 0.93 C ATOM 1498 CG LYS A 97 -3.822 -19.921 -1.966 1.00 0.99 C ATOM 1499 CD LYS A 97 -4.415 -18.729 -2.709 1.00 1.25 C ATOM 1500 CE LYS A 97 -5.903 -18.901 -2.990 1.00 2.06 C ATOM 1501 NZ LYS A 97 -6.187 -20.095 -3.828 1.00 2.65 N ATOM 0 H LYS A 97 -4.840 -17.554 0.332 1.00 0.83 H new ATOM 0 HA LYS A 97 -5.987 -20.148 -0.413 1.00 0.93 H new ATOM 0 HB2 LYS A 97 -3.243 -18.932 -0.153 1.00 0.93 H new ATOM 0 HB3 LYS A 97 -3.409 -20.670 0.001 1.00 0.93 H new ATOM 0 HG2 LYS A 97 -2.787 -20.056 -2.281 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -4.363 -20.822 -2.254 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -4.261 -17.825 -2.120 1.00 1.25 H new ATOM 0 HD3 LYS A 97 -3.884 -18.591 -3.651 1.00 1.25 H new ATOM 0 HE2 LYS A 97 -6.441 -18.987 -2.046 1.00 2.06 H new ATOM 0 HE3 LYS A 97 -6.281 -18.010 -3.492 1.00 2.06 H new ATOM 0 HZ1 LYS A 97 -7.057 -19.936 -4.375 1.00 2.65 H new ATOM 0 HZ2 LYS A 97 -5.393 -20.258 -4.480 1.00 2.65 H new ATOM 0 HZ3 LYS A 97 -6.310 -20.927 -3.216 1.00 2.65 H new ATOM 1515 N ALA A 98 -5.833 -19.357 2.532 1.00 0.99 N ATOM 1516 CA ALA A 98 -5.879 -19.746 3.936 1.00 1.06 C ATOM 1517 C ALA A 98 -7.246 -19.444 4.549 1.00 1.09 C ATOM 1518 O ALA A 98 -8.054 -20.347 4.773 1.00 1.23 O ATOM 1519 CB ALA A 98 -4.779 -19.042 4.719 1.00 1.00 C ATOM 0 H ALA A 98 -6.261 -18.453 2.331 1.00 0.99 H new ATOM 0 HA ALA A 98 -5.716 -20.822 3.992 1.00 1.06 H new ATOM 0 HB1 ALA A 98 -4.827 -19.343 5.765 1.00 1.00 H new ATOM 0 HB2 ALA A 98 -3.807 -19.315 4.307 1.00 1.00 H new ATOM 0 HB3 ALA A 98 -4.914 -17.963 4.646 1.00 1.00 H new ATOM 1525 N VAL A 99 -7.498 -18.167 4.793 1.00 1.00 N ATOM 1526 CA VAL A 99 -8.754 -17.704 5.362 1.00 1.06 C ATOM 1527 C VAL A 99 -8.906 -16.195 5.131 1.00 1.00 C ATOM 1528 O VAL A 99 -8.455 -15.371 5.927 1.00 1.01 O ATOM 1529 CB VAL A 99 -8.870 -18.046 6.872 1.00 1.16 C ATOM 1530 CG1 VAL A 99 -7.646 -17.578 7.651 1.00 1.13 C ATOM 1531 CG2 VAL A 99 -10.146 -17.454 7.456 1.00 1.24 C ATOM 0 H VAL A 99 -6.833 -17.418 4.601 1.00 1.00 H new ATOM 0 HA VAL A 99 -9.565 -18.227 4.855 1.00 1.06 H new ATOM 0 HB VAL A 99 -8.917 -19.131 6.965 1.00 1.16 H new ATOM 0 HG11 VAL A 99 -7.764 -17.835 8.704 1.00 1.13 H new ATOM 0 HG12 VAL A 99 -6.755 -18.066 7.256 1.00 1.13 H new ATOM 0 HG13 VAL A 99 -7.542 -16.498 7.551 1.00 1.13 H new ATOM 0 HG21 VAL A 99 -10.211 -17.703 8.515 1.00 1.24 H new ATOM 0 HG22 VAL A 99 -10.131 -16.370 7.339 1.00 1.24 H new ATOM 0 HG23 VAL A 99 -11.010 -17.864 6.933 1.00 1.24 H new ATOM 1541 N PRO A 100 -9.532 -15.808 4.013 1.00 1.00 N ATOM 1542 CA PRO A 100 -9.673 -14.411 3.635 1.00 1.02 C ATOM 1543 C PRO A 100 -10.903 -13.760 4.246 1.00 1.28 C ATOM 1544 O PRO A 100 -11.233 -12.614 3.940 1.00 1.60 O ATOM 1545 CB PRO A 100 -9.794 -14.484 2.122 1.00 1.04 C ATOM 1546 CG PRO A 100 -10.433 -15.805 1.839 1.00 1.03 C ATOM 1547 CD PRO A 100 -10.147 -16.706 3.019 1.00 1.06 C ATOM 0 HA PRO A 100 -8.841 -13.801 3.986 1.00 1.02 H new ATOM 0 HB2 PRO A 100 -10.399 -13.664 1.736 1.00 1.04 H new ATOM 0 HB3 PRO A 100 -8.816 -14.410 1.646 1.00 1.04 H new ATOM 0 HG2 PRO A 100 -11.507 -15.689 1.696 1.00 1.03 H new ATOM 0 HG3 PRO A 100 -10.034 -16.236 0.921 1.00 1.03 H new ATOM 0 HD2 PRO A 100 -11.059 -17.162 3.403 1.00 1.06 H new ATOM 0 HD3 PRO A 100 -9.475 -17.520 2.746 1.00 1.06 H new ATOM 1555 N SER A 101 -11.570 -14.486 5.125 1.00 1.57 N ATOM 1556 CA SER A 101 -12.752 -13.979 5.793 1.00 1.88 C ATOM 1557 C SER A 101 -12.364 -13.067 6.958 1.00 1.62 C ATOM 1558 O SER A 101 -12.829 -13.237 8.084 1.00 1.94 O ATOM 1559 CB SER A 101 -13.607 -15.151 6.273 1.00 2.76 C ATOM 1560 OG SER A 101 -13.884 -16.036 5.196 1.00 3.39 O ATOM 0 H SER A 101 -11.310 -15.435 5.393 1.00 1.57 H new ATOM 0 HA SER A 101 -13.335 -13.384 5.090 1.00 1.88 H new ATOM 0 HB2 SER A 101 -13.088 -15.687 7.068 1.00 2.76 H new ATOM 0 HB3 SER A 101 -14.540 -14.779 6.696 1.00 2.76 H new ATOM 0 HG SER A 101 -13.872 -15.538 4.352 1.00 3.39 H new ATOM 1566 N GLN A 102 -11.512 -12.090 6.664 1.00 1.61 N ATOM 1567 CA GLN A 102 -11.069 -11.111 7.651 1.00 2.12 C ATOM 1568 C GLN A 102 -12.153 -10.048 7.845 1.00 2.74 C ATOM 1569 O GLN A 102 -11.919 -8.850 7.695 1.00 3.39 O ATOM 1570 CB GLN A 102 -9.751 -10.464 7.196 1.00 2.47 C ATOM 1571 CG GLN A 102 -9.089 -9.581 8.246 1.00 3.02 C ATOM 1572 CD GLN A 102 -8.617 -10.360 9.458 1.00 3.87 C ATOM 1573 OE1 GLN A 102 -9.361 -10.552 10.419 1.00 4.45 O ATOM 1574 NE2 GLN A 102 -7.367 -10.791 9.431 1.00 4.44 N ATOM 0 H GLN A 102 -11.110 -11.955 5.737 1.00 1.61 H new ATOM 0 HA GLN A 102 -10.895 -11.612 8.604 1.00 2.12 H new ATOM 0 HB2 GLN A 102 -9.054 -11.251 6.909 1.00 2.47 H new ATOM 0 HB3 GLN A 102 -9.942 -9.867 6.304 1.00 2.47 H new ATOM 0 HG2 GLN A 102 -8.239 -9.066 7.797 1.00 3.02 H new ATOM 0 HG3 GLN A 102 -9.794 -8.814 8.565 1.00 3.02 H new ATOM 0 HE21 GLN A 102 -6.783 -10.611 8.614 1.00 4.44 H new ATOM 0 HE22 GLN A 102 -6.987 -11.304 10.227 1.00 4.44 H new ATOM 1583 N LYS A 103 -13.349 -10.509 8.172 1.00 3.15 N ATOM 1584 CA LYS A 103 -14.494 -9.632 8.346 1.00 4.06 C ATOM 1585 C LYS A 103 -14.582 -9.164 9.791 1.00 4.57 C ATOM 1586 O LYS A 103 -15.531 -9.494 10.506 1.00 5.24 O ATOM 1587 CB LYS A 103 -15.773 -10.367 7.939 1.00 4.73 C ATOM 1588 CG LYS A 103 -15.812 -10.745 6.464 1.00 5.30 C ATOM 1589 CD LYS A 103 -16.894 -11.775 6.168 1.00 6.25 C ATOM 1590 CE LYS A 103 -18.287 -11.270 6.520 1.00 6.82 C ATOM 1591 NZ LYS A 103 -18.700 -10.115 5.678 1.00 7.43 N ATOM 0 H LYS A 103 -13.553 -11.497 8.324 1.00 3.15 H new ATOM 0 HA LYS A 103 -14.375 -8.755 7.709 1.00 4.06 H new ATOM 0 HB2 LYS A 103 -15.871 -11.271 8.540 1.00 4.73 H new ATOM 0 HB3 LYS A 103 -16.633 -9.738 8.168 1.00 4.73 H new ATOM 0 HG2 LYS A 103 -15.988 -9.851 5.865 1.00 5.30 H new ATOM 0 HG3 LYS A 103 -14.842 -11.142 6.166 1.00 5.30 H new ATOM 0 HD2 LYS A 103 -16.862 -12.038 5.111 1.00 6.25 H new ATOM 0 HD3 LYS A 103 -16.688 -12.686 6.730 1.00 6.25 H new ATOM 0 HE2 LYS A 103 -19.006 -12.080 6.399 1.00 6.82 H new ATOM 0 HE3 LYS A 103 -18.310 -10.978 7.570 1.00 6.82 H new ATOM 0 HZ1 LYS A 103 -19.735 -10.020 5.702 1.00 7.43 H new ATOM 0 HZ2 LYS A 103 -18.264 -9.245 6.045 1.00 7.43 H new ATOM 0 HZ3 LYS A 103 -18.390 -10.271 4.698 1.00 7.43 H new ATOM 1605 N ARG A 104 -13.577 -8.404 10.210 1.00 4.68 N ATOM 1606 CA ARG A 104 -13.505 -7.896 11.574 1.00 5.53 C ATOM 1607 C ARG A 104 -14.722 -7.042 11.899 1.00 5.66 C ATOM 1608 O ARG A 104 -14.967 -6.018 11.257 1.00 5.96 O ATOM 1609 CB ARG A 104 -12.224 -7.082 11.781 1.00 6.11 C ATOM 1610 CG ARG A 104 -10.954 -7.913 11.685 1.00 6.81 C ATOM 1611 CD ARG A 104 -9.710 -7.060 11.878 1.00 7.63 C ATOM 1612 NE ARG A 104 -8.485 -7.861 11.839 1.00 8.13 N ATOM 1613 CZ ARG A 104 -7.257 -7.346 11.760 1.00 8.95 C ATOM 1614 NH1 ARG A 104 -7.083 -6.032 11.719 1.00 9.34 N ATOM 1615 NH2 ARG A 104 -6.201 -8.148 11.732 1.00 9.59 N ATOM 0 H ARG A 104 -12.795 -8.124 9.618 1.00 4.68 H new ATOM 0 HA ARG A 104 -13.490 -8.751 12.249 1.00 5.53 H new ATOM 0 HB2 ARG A 104 -12.185 -6.286 11.037 1.00 6.11 H new ATOM 0 HB3 ARG A 104 -12.262 -6.603 12.759 1.00 6.11 H new ATOM 0 HG2 ARG A 104 -10.976 -8.700 12.438 1.00 6.81 H new ATOM 0 HG3 ARG A 104 -10.912 -8.403 10.712 1.00 6.81 H new ATOM 0 HD2 ARG A 104 -9.669 -6.297 11.101 1.00 7.63 H new ATOM 0 HD3 ARG A 104 -9.772 -6.539 12.833 1.00 7.63 H new ATOM 0 HE ARG A 104 -8.576 -8.876 11.874 1.00 8.13 H new ATOM 0 HH11 ARG A 104 -7.890 -5.409 11.748 1.00 9.34 H new ATOM 0 HH12 ARG A 104 -6.142 -5.644 11.659 1.00 9.34 H new ATOM 0 HH21 ARG A 104 -6.328 -9.159 11.771 1.00 9.59 H new ATOM 0 HH22 ARG A 104 -5.262 -7.753 11.672 1.00 9.59 H new ATOM 1629 N THR A 105 -15.489 -7.487 12.881 1.00 5.79 N ATOM 1630 CA THR A 105 -16.679 -6.781 13.309 1.00 6.20 C ATOM 1631 C THR A 105 -16.319 -5.597 14.199 1.00 6.46 C ATOM 1632 O THR A 105 -15.991 -5.816 15.382 1.00 6.80 O ATOM 1633 CB THR A 105 -17.635 -7.732 14.055 1.00 6.59 C ATOM 1634 OG1 THR A 105 -16.885 -8.607 14.909 1.00 6.66 O ATOM 1635 CG2 THR A 105 -18.458 -8.556 13.078 1.00 7.00 C ATOM 1636 OXT THR A 105 -16.366 -4.447 13.711 1.00 6.62 O ATOM 0 H THR A 105 -15.303 -8.345 13.400 1.00 5.79 H new ATOM 0 HA THR A 105 -17.183 -6.403 12.419 1.00 6.20 H new ATOM 0 HB THR A 105 -18.315 -7.128 14.655 1.00 6.59 H new ATOM 0 HG1 THR A 105 -16.233 -8.085 15.421 1.00 6.66 H new ATOM 0 HG21 THR A 105 -19.124 -9.218 13.631 1.00 7.00 H new ATOM 0 HG22 THR A 105 -19.049 -7.891 12.448 1.00 7.00 H new ATOM 0 HG23 THR A 105 -17.792 -9.151 12.453 1.00 7.00 H new TER 1644 THR A 105 ATOM 1645 N MET B 1 11.774 -9.497 25.052 1.00 7.64 N ATOM 1646 CA MET B 1 11.266 -9.809 23.699 1.00 7.05 C ATOM 1647 C MET B 1 11.478 -8.624 22.761 1.00 6.85 C ATOM 1648 O MET B 1 10.780 -7.612 22.840 1.00 7.13 O ATOM 1649 CB MET B 1 9.782 -10.202 23.752 1.00 7.11 C ATOM 1650 CG MET B 1 8.891 -9.185 24.448 1.00 7.39 C ATOM 1651 SD MET B 1 7.149 -9.645 24.408 1.00 7.66 S ATOM 1652 CE MET B 1 6.417 -8.243 25.248 1.00 7.91 C ATOM 0 H1 MET B 1 11.546 -10.280 25.698 1.00 7.64 H new ATOM 0 H2 MET B 1 12.805 -9.368 25.014 1.00 7.64 H new ATOM 0 H3 MET B 1 11.328 -8.623 25.397 1.00 7.64 H new ATOM 0 HA MET B 1 11.827 -10.658 23.310 1.00 7.05 H new ATOM 0 HB2 MET B 1 9.420 -10.349 22.734 1.00 7.11 H new ATOM 0 HB3 MET B 1 9.690 -11.160 24.264 1.00 7.11 H new ATOM 0 HG2 MET B 1 9.210 -9.077 25.485 1.00 7.39 H new ATOM 0 HG3 MET B 1 9.017 -8.212 23.973 1.00 7.39 H new ATOM 0 HE1 MET B 1 5.337 -8.376 25.305 1.00 7.91 H new ATOM 0 HE2 MET B 1 6.827 -8.168 26.255 1.00 7.91 H new ATOM 0 HE3 MET B 1 6.641 -7.330 24.696 1.00 7.91 H new ATOM 1664 N ALA B 2 12.462 -8.747 21.883 1.00 6.68 N ATOM 1665 CA ALA B 2 12.777 -7.686 20.938 1.00 6.74 C ATOM 1666 C ALA B 2 11.907 -7.795 19.692 1.00 6.15 C ATOM 1667 O ALA B 2 11.465 -6.789 19.136 1.00 6.28 O ATOM 1668 CB ALA B 2 14.249 -7.735 20.562 1.00 7.32 C ATOM 0 H ALA B 2 13.057 -9.572 21.805 1.00 6.68 H new ATOM 0 HA ALA B 2 12.569 -6.729 21.416 1.00 6.74 H new ATOM 0 HB1 ALA B 2 14.471 -6.936 19.855 1.00 7.32 H new ATOM 0 HB2 ALA B 2 14.858 -7.606 21.457 1.00 7.32 H new ATOM 0 HB3 ALA B 2 14.476 -8.698 20.104 1.00 7.32 H new ATOM 1674 N LYS B 3 11.650 -9.023 19.267 1.00 5.79 N ATOM 1675 CA LYS B 3 10.875 -9.271 18.063 1.00 5.53 C ATOM 1676 C LYS B 3 9.391 -9.396 18.404 1.00 5.00 C ATOM 1677 O LYS B 3 8.801 -10.476 18.319 1.00 5.14 O ATOM 1678 CB LYS B 3 11.385 -10.540 17.364 1.00 6.01 C ATOM 1679 CG LYS B 3 10.770 -10.796 15.993 1.00 6.28 C ATOM 1680 CD LYS B 3 11.072 -9.667 15.021 1.00 6.97 C ATOM 1681 CE LYS B 3 10.569 -9.988 13.623 1.00 7.46 C ATOM 1682 NZ LYS B 3 10.773 -8.855 12.681 1.00 7.93 N ATOM 0 H LYS B 3 11.970 -9.867 19.742 1.00 5.79 H new ATOM 0 HA LYS B 3 10.996 -8.429 17.382 1.00 5.53 H new ATOM 0 HB2 LYS B 3 12.467 -10.470 17.256 1.00 6.01 H new ATOM 0 HB3 LYS B 3 11.184 -11.399 18.005 1.00 6.01 H new ATOM 0 HG2 LYS B 3 11.154 -11.734 15.592 1.00 6.28 H new ATOM 0 HG3 LYS B 3 9.691 -10.910 16.094 1.00 6.28 H new ATOM 0 HD2 LYS B 3 10.607 -8.747 15.374 1.00 6.97 H new ATOM 0 HD3 LYS B 3 12.147 -9.489 14.990 1.00 6.97 H new ATOM 0 HE2 LYS B 3 11.086 -10.870 13.246 1.00 7.46 H new ATOM 0 HE3 LYS B 3 9.508 -10.235 13.668 1.00 7.46 H new ATOM 0 HZ1 LYS B 3 10.861 -9.221 11.712 1.00 7.93 H new ATOM 0 HZ2 LYS B 3 9.960 -8.208 12.735 1.00 7.93 H new ATOM 0 HZ3 LYS B 3 11.641 -8.342 12.937 1.00 7.93 H new ATOM 1696 N ILE B 4 8.792 -8.283 18.803 1.00 4.75 N ATOM 1697 CA ILE B 4 7.372 -8.256 19.131 1.00 4.41 C ATOM 1698 C ILE B 4 6.537 -8.073 17.874 1.00 3.66 C ATOM 1699 O ILE B 4 5.354 -8.408 17.842 1.00 3.91 O ATOM 1700 CB ILE B 4 7.031 -7.132 20.133 1.00 5.15 C ATOM 1701 CG1 ILE B 4 7.454 -5.768 19.580 1.00 5.78 C ATOM 1702 CG2 ILE B 4 7.696 -7.399 21.475 1.00 5.59 C ATOM 1703 CD1 ILE B 4 7.050 -4.603 20.457 1.00 6.54 C ATOM 0 H ILE B 4 9.267 -7.386 18.908 1.00 4.75 H new ATOM 0 HA ILE B 4 7.137 -9.213 19.596 1.00 4.41 H new ATOM 0 HB ILE B 4 5.951 -7.117 20.281 1.00 5.15 H new ATOM 0 HG12 ILE B 4 8.537 -5.757 19.453 1.00 5.78 H new ATOM 0 HG13 ILE B 4 7.016 -5.635 18.591 1.00 5.78 H new ATOM 0 HG21 ILE B 4 7.446 -6.598 22.171 1.00 5.59 H new ATOM 0 HG22 ILE B 4 7.342 -8.350 21.874 1.00 5.59 H new ATOM 0 HG23 ILE B 4 8.777 -7.441 21.343 1.00 5.59 H new ATOM 0 HD11 ILE B 4 7.384 -3.671 20.001 1.00 6.54 H new ATOM 0 HD12 ILE B 4 5.965 -4.587 20.564 1.00 6.54 H new ATOM 0 HD13 ILE B 4 7.510 -4.711 21.439 1.00 6.54 H new ATOM 1715 N SER B 5 7.162 -7.539 16.839 1.00 3.24 N ATOM 1716 CA SER B 5 6.493 -7.321 15.575 1.00 2.93 C ATOM 1717 C SER B 5 6.971 -8.330 14.540 1.00 2.01 C ATOM 1718 O SER B 5 8.041 -8.171 13.949 1.00 2.25 O ATOM 1719 CB SER B 5 6.754 -5.896 15.085 1.00 3.70 C ATOM 1720 OG SER B 5 6.361 -4.946 16.064 1.00 4.46 O ATOM 0 H SER B 5 8.139 -7.248 16.853 1.00 3.24 H new ATOM 0 HA SER B 5 5.421 -7.455 15.718 1.00 2.93 H new ATOM 0 HB2 SER B 5 7.813 -5.773 14.857 1.00 3.70 H new ATOM 0 HB3 SER B 5 6.206 -5.719 14.159 1.00 3.70 H new ATOM 0 HG SER B 5 6.538 -4.041 15.731 1.00 4.46 H new ATOM 1726 N SER B 6 6.190 -9.389 14.355 1.00 1.51 N ATOM 1727 CA SER B 6 6.457 -10.354 13.300 1.00 1.03 C ATOM 1728 C SER B 6 6.469 -9.657 11.931 1.00 0.82 C ATOM 1729 O SER B 6 7.393 -9.867 11.142 1.00 0.86 O ATOM 1730 CB SER B 6 5.431 -11.492 13.335 1.00 1.67 C ATOM 1731 OG SER B 6 5.409 -12.112 14.611 1.00 2.25 O ATOM 0 H SER B 6 5.369 -9.599 14.922 1.00 1.51 H new ATOM 0 HA SER B 6 7.442 -10.791 13.467 1.00 1.03 H new ATOM 0 HB2 SER B 6 4.441 -11.102 13.098 1.00 1.67 H new ATOM 0 HB3 SER B 6 5.674 -12.230 12.571 1.00 1.67 H new ATOM 0 HG SER B 6 4.747 -12.834 14.612 1.00 2.25 H new ATOM 1737 N PRO B 7 5.459 -8.815 11.617 1.00 0.70 N ATOM 1738 CA PRO B 7 5.502 -7.959 10.436 1.00 0.54 C ATOM 1739 C PRO B 7 6.225 -6.653 10.729 1.00 0.45 C ATOM 1740 O PRO B 7 6.251 -6.185 11.871 1.00 0.57 O ATOM 1741 CB PRO B 7 4.028 -7.689 10.180 1.00 0.62 C ATOM 1742 CG PRO B 7 3.482 -7.559 11.550 1.00 0.75 C ATOM 1743 CD PRO B 7 4.180 -8.628 12.350 1.00 0.82 C ATOM 0 HA PRO B 7 6.030 -8.412 9.596 1.00 0.54 H new ATOM 0 HB2 PRO B 7 3.877 -6.781 9.596 1.00 0.62 H new ATOM 0 HB3 PRO B 7 3.556 -8.504 9.631 1.00 0.62 H new ATOM 0 HG2 PRO B 7 3.677 -6.568 11.960 1.00 0.75 H new ATOM 0 HG3 PRO B 7 2.401 -7.701 11.559 1.00 0.75 H new ATOM 0 HD2 PRO B 7 4.348 -8.315 13.381 1.00 0.82 H new ATOM 0 HD3 PRO B 7 3.598 -9.549 12.387 1.00 0.82 H new ATOM 1751 N THR B 8 6.820 -6.074 9.712 1.00 0.34 N ATOM 1752 CA THR B 8 7.439 -4.775 9.853 1.00 0.27 C ATOM 1753 C THR B 8 6.412 -3.694 9.585 1.00 0.28 C ATOM 1754 O THR B 8 5.245 -3.997 9.361 1.00 0.34 O ATOM 1755 CB THR B 8 8.597 -4.612 8.875 1.00 0.29 C ATOM 1756 OG1 THR B 8 8.078 -4.517 7.546 1.00 0.37 O ATOM 1757 CG2 THR B 8 9.544 -5.790 8.994 1.00 0.33 C ATOM 0 H THR B 8 6.889 -6.480 8.779 1.00 0.34 H new ATOM 0 HA THR B 8 7.823 -4.688 10.869 1.00 0.27 H new ATOM 0 HB THR B 8 9.151 -3.703 9.108 1.00 0.29 H new ATOM 0 HG1 THR B 8 8.784 -4.736 6.903 1.00 0.37 H new ATOM 0 HG21 THR B 8 10.369 -5.666 8.292 1.00 0.33 H new ATOM 0 HG22 THR B 8 9.936 -5.840 10.010 1.00 0.33 H new ATOM 0 HG23 THR B 8 9.009 -6.712 8.766 1.00 0.33 H new ATOM 1765 N GLU B 9 6.841 -2.450 9.568 1.00 0.28 N ATOM 1766 CA GLU B 9 5.925 -1.335 9.375 1.00 0.33 C ATOM 1767 C GLU B 9 5.241 -1.400 8.001 1.00 0.36 C ATOM 1768 O GLU B 9 4.067 -1.054 7.866 1.00 0.52 O ATOM 1769 CB GLU B 9 6.675 -0.021 9.563 1.00 0.40 C ATOM 1770 CG GLU B 9 5.797 1.209 9.486 1.00 0.56 C ATOM 1771 CD GLU B 9 6.310 2.344 10.349 1.00 1.73 C ATOM 1772 OE1 GLU B 9 7.542 2.545 10.411 1.00 2.47 O ATOM 1773 OE2 GLU B 9 5.479 3.035 10.975 1.00 2.48 O ATOM 0 H GLU B 9 7.818 -2.180 9.685 1.00 0.28 H new ATOM 0 HA GLU B 9 5.134 -1.398 10.122 1.00 0.33 H new ATOM 0 HB2 GLU B 9 7.176 -0.036 10.531 1.00 0.40 H new ATOM 0 HB3 GLU B 9 7.453 0.053 8.803 1.00 0.40 H new ATOM 0 HG2 GLU B 9 5.736 1.543 8.450 1.00 0.56 H new ATOM 0 HG3 GLU B 9 4.785 0.949 9.797 1.00 0.56 H new ATOM 1780 N THR B 10 5.956 -1.882 6.995 1.00 0.26 N ATOM 1781 CA THR B 10 5.375 -2.037 5.667 1.00 0.27 C ATOM 1782 C THR B 10 4.525 -3.289 5.606 1.00 0.27 C ATOM 1783 O THR B 10 3.462 -3.291 4.996 1.00 0.31 O ATOM 1784 CB THR B 10 6.437 -2.060 4.537 1.00 0.27 C ATOM 1785 OG1 THR B 10 6.014 -2.912 3.468 1.00 0.40 O ATOM 1786 CG2 THR B 10 7.793 -2.520 5.052 1.00 0.26 C ATOM 0 H THR B 10 6.931 -2.171 7.070 1.00 0.26 H new ATOM 0 HA THR B 10 4.752 -1.159 5.497 1.00 0.27 H new ATOM 0 HB THR B 10 6.540 -1.040 4.167 1.00 0.27 H new ATOM 0 HG1 THR B 10 6.694 -2.914 2.763 1.00 0.40 H new ATOM 0 HG21 THR B 10 8.511 -2.523 4.232 1.00 0.26 H new ATOM 0 HG22 THR B 10 8.136 -1.840 5.832 1.00 0.26 H new ATOM 0 HG23 THR B 10 7.705 -3.526 5.461 1.00 0.26 H new ATOM 1794 N GLU B 11 4.967 -4.340 6.266 1.00 0.24 N ATOM 1795 CA GLU B 11 4.238 -5.592 6.238 1.00 0.27 C ATOM 1796 C GLU B 11 2.936 -5.465 7.007 1.00 0.30 C ATOM 1797 O GLU B 11 1.896 -5.954 6.572 1.00 0.32 O ATOM 1798 CB GLU B 11 5.092 -6.707 6.808 1.00 0.29 C ATOM 1799 CG GLU B 11 6.474 -6.735 6.198 1.00 0.41 C ATOM 1800 CD GLU B 11 7.300 -7.906 6.670 1.00 1.11 C ATOM 1801 OE1 GLU B 11 7.294 -8.187 7.884 1.00 1.71 O ATOM 1802 OE2 GLU B 11 7.963 -8.546 5.833 1.00 1.85 O ATOM 0 H GLU B 11 5.821 -4.353 6.824 1.00 0.24 H new ATOM 0 HA GLU B 11 3.999 -5.835 5.203 1.00 0.27 H new ATOM 0 HB2 GLU B 11 5.176 -6.583 7.888 1.00 0.29 H new ATOM 0 HB3 GLU B 11 4.600 -7.664 6.634 1.00 0.29 H new ATOM 0 HG2 GLU B 11 6.386 -6.773 5.112 1.00 0.41 H new ATOM 0 HG3 GLU B 11 6.993 -5.808 6.443 1.00 0.41 H new ATOM 1809 N ARG B 12 2.991 -4.773 8.134 1.00 0.35 N ATOM 1810 CA ARG B 12 1.797 -4.526 8.920 1.00 0.42 C ATOM 1811 C ARG B 12 0.881 -3.569 8.176 1.00 0.43 C ATOM 1812 O ARG B 12 -0.338 -3.633 8.315 1.00 0.47 O ATOM 1813 CB ARG B 12 2.143 -4.006 10.327 1.00 0.48 C ATOM 1814 CG ARG B 12 2.858 -2.659 10.385 1.00 0.49 C ATOM 1815 CD ARG B 12 1.917 -1.491 10.154 1.00 0.56 C ATOM 1816 NE ARG B 12 2.517 -0.215 10.537 1.00 1.08 N ATOM 1817 CZ ARG B 12 2.491 0.281 11.775 1.00 1.34 C ATOM 1818 NH1 ARG B 12 1.866 -0.376 12.746 1.00 1.86 N ATOM 1819 NH2 ARG B 12 3.079 1.443 12.037 1.00 1.95 N ATOM 0 H ARG B 12 3.846 -4.375 8.522 1.00 0.35 H new ATOM 0 HA ARG B 12 1.270 -5.470 9.059 1.00 0.42 H new ATOM 0 HB2 ARG B 12 1.220 -3.930 10.902 1.00 0.48 H new ATOM 0 HB3 ARG B 12 2.768 -4.748 10.824 1.00 0.48 H new ATOM 0 HG2 ARG B 12 3.338 -2.548 11.357 1.00 0.49 H new ATOM 0 HG3 ARG B 12 3.649 -2.638 9.635 1.00 0.49 H new ATOM 0 HD2 ARG B 12 1.635 -1.457 9.102 1.00 0.56 H new ATOM 0 HD3 ARG B 12 1.001 -1.646 10.725 1.00 0.56 H new ATOM 0 HE ARG B 12 2.985 0.330 9.813 1.00 1.08 H new ATOM 0 HH11 ARG B 12 1.404 -1.263 12.546 1.00 1.86 H new ATOM 0 HH12 ARG B 12 1.848 0.007 13.691 1.00 1.86 H new ATOM 0 HH21 ARG B 12 3.550 1.956 11.292 1.00 1.95 H new ATOM 0 HH22 ARG B 12 3.059 1.823 12.984 1.00 1.95 H new ATOM 1833 N CYS B 13 1.477 -2.692 7.369 1.00 0.42 N ATOM 1834 CA CYS B 13 0.711 -1.790 6.519 1.00 0.44 C ATOM 1835 C CYS B 13 -0.086 -2.616 5.536 1.00 0.30 C ATOM 1836 O CYS B 13 -1.260 -2.364 5.264 1.00 0.29 O ATOM 1837 CB CYS B 13 1.651 -0.848 5.752 1.00 0.57 C ATOM 1838 SG CYS B 13 1.489 -0.953 3.955 1.00 2.16 S ATOM 0 H CYS B 13 2.489 -2.589 7.288 1.00 0.42 H new ATOM 0 HA CYS B 13 0.045 -1.187 7.137 1.00 0.44 H new ATOM 0 HB2 CYS B 13 1.456 0.178 6.065 1.00 0.57 H new ATOM 0 HB3 CYS B 13 2.681 -1.075 6.028 1.00 0.57 H new ATOM 0 HG CYS B 13 0.427 -0.306 3.577 1.00 2.16 H new ATOM 1844 N ILE B 14 0.581 -3.632 5.045 1.00 0.26 N ATOM 1845 CA ILE B 14 0.045 -4.515 4.050 1.00 0.24 C ATOM 1846 C ILE B 14 -1.084 -5.371 4.612 1.00 0.21 C ATOM 1847 O ILE B 14 -2.097 -5.600 3.945 1.00 0.23 O ATOM 1848 CB ILE B 14 1.184 -5.388 3.509 1.00 0.24 C ATOM 1849 CG1 ILE B 14 2.102 -4.547 2.619 1.00 0.25 C ATOM 1850 CG2 ILE B 14 0.644 -6.592 2.771 1.00 0.27 C ATOM 1851 CD1 ILE B 14 3.411 -5.226 2.306 1.00 0.27 C ATOM 0 H ILE B 14 1.530 -3.869 5.335 1.00 0.26 H new ATOM 0 HA ILE B 14 -0.384 -3.926 3.239 1.00 0.24 H new ATOM 0 HB ILE B 14 1.769 -5.765 4.348 1.00 0.24 H new ATOM 0 HG12 ILE B 14 1.585 -4.321 1.686 1.00 0.25 H new ATOM 0 HG13 ILE B 14 2.302 -3.595 3.111 1.00 0.25 H new ATOM 0 HG21 ILE B 14 1.474 -7.193 2.399 1.00 0.27 H new ATOM 0 HG22 ILE B 14 0.037 -7.192 3.449 1.00 0.27 H new ATOM 0 HG23 ILE B 14 0.031 -6.260 1.933 1.00 0.27 H new ATOM 0 HD11 ILE B 14 4.015 -4.577 1.672 1.00 0.27 H new ATOM 0 HD12 ILE B 14 3.947 -5.428 3.233 1.00 0.27 H new ATOM 0 HD13 ILE B 14 3.219 -6.165 1.786 1.00 0.27 H new ATOM 1863 N GLU B 15 -0.929 -5.805 5.853 1.00 0.24 N ATOM 1864 CA GLU B 15 -1.933 -6.625 6.496 1.00 0.28 C ATOM 1865 C GLU B 15 -3.074 -5.741 6.951 1.00 0.30 C ATOM 1866 O GLU B 15 -4.202 -6.197 7.139 1.00 0.34 O ATOM 1867 CB GLU B 15 -1.343 -7.373 7.682 1.00 0.32 C ATOM 1868 CG GLU B 15 -0.131 -8.216 7.329 1.00 0.32 C ATOM 1869 CD GLU B 15 0.380 -9.002 8.514 1.00 0.38 C ATOM 1870 OE1 GLU B 15 0.868 -8.384 9.481 1.00 1.25 O ATOM 1871 OE2 GLU B 15 0.290 -10.248 8.486 1.00 1.06 O ATOM 0 H GLU B 15 -0.115 -5.600 6.432 1.00 0.24 H new ATOM 0 HA GLU B 15 -2.300 -7.364 5.783 1.00 0.28 H new ATOM 0 HB2 GLU B 15 -1.063 -6.653 8.451 1.00 0.32 H new ATOM 0 HB3 GLU B 15 -2.110 -8.017 8.112 1.00 0.32 H new ATOM 0 HG2 GLU B 15 -0.390 -8.903 6.523 1.00 0.32 H new ATOM 0 HG3 GLU B 15 0.663 -7.570 6.954 1.00 0.32 H new ATOM 1878 N SER B 16 -2.762 -4.468 7.126 1.00 0.31 N ATOM 1879 CA SER B 16 -3.769 -3.472 7.399 1.00 0.37 C ATOM 1880 C SER B 16 -4.686 -3.335 6.201 1.00 0.28 C ATOM 1881 O SER B 16 -5.904 -3.314 6.335 1.00 0.28 O ATOM 1882 CB SER B 16 -3.118 -2.129 7.726 1.00 0.54 C ATOM 1883 OG SER B 16 -2.436 -2.180 8.964 1.00 0.97 O ATOM 0 H SER B 16 -1.810 -4.104 7.082 1.00 0.31 H new ATOM 0 HA SER B 16 -4.354 -3.787 8.263 1.00 0.37 H new ATOM 0 HB2 SER B 16 -2.420 -1.858 6.934 1.00 0.54 H new ATOM 0 HB3 SER B 16 -3.880 -1.351 7.759 1.00 0.54 H new ATOM 0 HG SER B 16 -1.632 -2.732 8.872 1.00 0.97 H new ATOM 1889 N LEU B 17 -4.085 -3.271 5.025 1.00 0.27 N ATOM 1890 CA LEU B 17 -4.840 -3.209 3.789 1.00 0.28 C ATOM 1891 C LEU B 17 -5.657 -4.471 3.620 1.00 0.27 C ATOM 1892 O LEU B 17 -6.764 -4.428 3.117 1.00 0.32 O ATOM 1893 CB LEU B 17 -3.899 -3.028 2.610 1.00 0.29 C ATOM 1894 CG LEU B 17 -2.980 -1.821 2.743 1.00 0.33 C ATOM 1895 CD1 LEU B 17 -1.978 -1.764 1.607 1.00 0.33 C ATOM 1896 CD2 LEU B 17 -3.807 -0.545 2.813 1.00 0.46 C ATOM 0 H LEU B 17 -3.072 -3.261 4.902 1.00 0.27 H new ATOM 0 HA LEU B 17 -5.516 -2.355 3.829 1.00 0.28 H new ATOM 0 HB2 LEU B 17 -3.291 -3.926 2.500 1.00 0.29 H new ATOM 0 HB3 LEU B 17 -4.488 -2.927 1.698 1.00 0.29 H new ATOM 0 HG LEU B 17 -2.412 -1.918 3.668 1.00 0.33 H new ATOM 0 HD11 LEU B 17 -1.337 -0.891 1.731 1.00 0.33 H new ATOM 0 HD12 LEU B 17 -1.367 -2.667 1.615 1.00 0.33 H new ATOM 0 HD13 LEU B 17 -2.508 -1.693 0.657 1.00 0.33 H new ATOM 0 HD21 LEU B 17 -3.143 0.314 2.908 1.00 0.46 H new ATOM 0 HD22 LEU B 17 -4.401 -0.446 1.904 1.00 0.46 H new ATOM 0 HD23 LEU B 17 -4.470 -0.588 3.677 1.00 0.46 H new ATOM 1908 N ILE B 18 -5.101 -5.593 4.047 1.00 0.27 N ATOM 1909 CA ILE B 18 -5.837 -6.843 4.068 1.00 0.30 C ATOM 1910 C ILE B 18 -7.067 -6.714 4.953 1.00 0.28 C ATOM 1911 O ILE B 18 -8.178 -7.033 4.537 1.00 0.30 O ATOM 1912 CB ILE B 18 -4.960 -8.009 4.572 1.00 0.36 C ATOM 1913 CG1 ILE B 18 -3.850 -8.311 3.563 1.00 0.62 C ATOM 1914 CG2 ILE B 18 -5.809 -9.244 4.833 1.00 0.47 C ATOM 1915 CD1 ILE B 18 -2.943 -9.442 3.982 1.00 1.37 C ATOM 0 H ILE B 18 -4.141 -5.662 4.384 1.00 0.27 H new ATOM 0 HA ILE B 18 -6.142 -7.062 3.045 1.00 0.30 H new ATOM 0 HB ILE B 18 -4.496 -7.715 5.514 1.00 0.36 H new ATOM 0 HG12 ILE B 18 -4.301 -8.556 2.602 1.00 0.62 H new ATOM 0 HG13 ILE B 18 -3.251 -7.412 3.415 1.00 0.62 H new ATOM 0 HG21 ILE B 18 -5.173 -10.055 5.188 1.00 0.47 H new ATOM 0 HG22 ILE B 18 -6.561 -9.016 5.589 1.00 0.47 H new ATOM 0 HG23 ILE B 18 -6.303 -9.548 3.910 1.00 0.47 H new ATOM 0 HD11 ILE B 18 -2.181 -9.599 3.219 1.00 1.37 H new ATOM 0 HD12 ILE B 18 -2.463 -9.192 4.928 1.00 1.37 H new ATOM 0 HD13 ILE B 18 -3.529 -10.353 4.102 1.00 1.37 H new ATOM 1927 N ALA B 19 -6.849 -6.216 6.161 1.00 0.25 N ATOM 1928 CA ALA B 19 -7.913 -6.049 7.134 1.00 0.25 C ATOM 1929 C ALA B 19 -9.019 -5.144 6.606 1.00 0.23 C ATOM 1930 O ALA B 19 -10.181 -5.539 6.561 1.00 0.27 O ATOM 1931 CB ALA B 19 -7.343 -5.486 8.426 1.00 0.28 C ATOM 0 H ALA B 19 -5.931 -5.918 6.492 1.00 0.25 H new ATOM 0 HA ALA B 19 -8.353 -7.027 7.326 1.00 0.25 H new ATOM 0 HB1 ALA B 19 -8.145 -5.362 9.154 1.00 0.28 H new ATOM 0 HB2 ALA B 19 -6.595 -6.172 8.823 1.00 0.28 H new ATOM 0 HB3 ALA B 19 -6.880 -4.519 8.228 1.00 0.28 H new ATOM 1937 N VAL B 20 -8.649 -3.939 6.190 1.00 0.20 N ATOM 1938 CA VAL B 20 -9.629 -2.950 5.759 1.00 0.22 C ATOM 1939 C VAL B 20 -10.273 -3.355 4.441 1.00 0.23 C ATOM 1940 O VAL B 20 -11.486 -3.202 4.255 1.00 0.27 O ATOM 1941 CB VAL B 20 -9.001 -1.538 5.639 1.00 0.27 C ATOM 1942 CG1 VAL B 20 -8.067 -1.304 6.787 1.00 0.87 C ATOM 1943 CG2 VAL B 20 -8.266 -1.333 4.324 1.00 0.87 C ATOM 0 H VAL B 20 -7.680 -3.624 6.142 1.00 0.20 H new ATOM 0 HA VAL B 20 -10.403 -2.910 6.525 1.00 0.22 H new ATOM 0 HB VAL B 20 -9.818 -0.816 5.664 1.00 0.27 H new ATOM 0 HG11 VAL B 20 -7.626 -0.311 6.701 1.00 0.87 H new ATOM 0 HG12 VAL B 20 -8.618 -1.377 7.725 1.00 0.87 H new ATOM 0 HG13 VAL B 20 -7.276 -2.054 6.772 1.00 0.87 H new ATOM 0 HG21 VAL B 20 -7.847 -0.327 4.295 1.00 0.87 H new ATOM 0 HG22 VAL B 20 -7.462 -2.064 4.239 1.00 0.87 H new ATOM 0 HG23 VAL B 20 -8.962 -1.460 3.495 1.00 0.87 H new ATOM 1953 N PHE B 21 -9.466 -3.893 3.538 1.00 0.22 N ATOM 1954 CA PHE B 21 -9.983 -4.307 2.240 1.00 0.25 C ATOM 1955 C PHE B 21 -10.992 -5.429 2.400 1.00 0.29 C ATOM 1956 O PHE B 21 -12.121 -5.322 1.947 1.00 0.35 O ATOM 1957 CB PHE B 21 -8.865 -4.766 1.301 1.00 0.26 C ATOM 1958 CG PHE B 21 -9.368 -5.252 -0.024 1.00 0.91 C ATOM 1959 CD1 PHE B 21 -9.890 -4.362 -0.942 1.00 1.85 C ATOM 1960 CD2 PHE B 21 -9.333 -6.598 -0.344 1.00 1.59 C ATOM 1961 CE1 PHE B 21 -10.367 -4.801 -2.158 1.00 2.48 C ATOM 1962 CE2 PHE B 21 -9.811 -7.044 -1.557 1.00 2.17 C ATOM 1963 CZ PHE B 21 -10.329 -6.144 -2.466 1.00 2.40 C ATOM 0 H PHE B 21 -8.468 -4.052 3.675 1.00 0.22 H new ATOM 0 HA PHE B 21 -10.468 -3.436 1.799 1.00 0.25 H new ATOM 0 HB2 PHE B 21 -8.174 -3.939 1.139 1.00 0.26 H new ATOM 0 HB3 PHE B 21 -8.300 -5.564 1.783 1.00 0.26 H new ATOM 0 HD1 PHE B 21 -9.925 -3.309 -0.704 1.00 1.85 H new ATOM 0 HD2 PHE B 21 -8.927 -7.306 0.364 1.00 1.59 H new ATOM 0 HE1 PHE B 21 -10.770 -4.094 -2.868 1.00 2.48 H new ATOM 0 HE2 PHE B 21 -9.780 -8.097 -1.796 1.00 2.17 H new ATOM 0 HZ PHE B 21 -10.704 -6.491 -3.417 1.00 2.40 H new ATOM 1973 N GLN B 22 -10.586 -6.482 3.083 1.00 0.30 N ATOM 1974 CA GLN B 22 -11.371 -7.700 3.153 1.00 0.37 C ATOM 1975 C GLN B 22 -12.590 -7.557 4.057 1.00 0.36 C ATOM 1976 O GLN B 22 -13.521 -8.357 3.967 1.00 0.44 O ATOM 1977 CB GLN B 22 -10.474 -8.865 3.572 1.00 0.47 C ATOM 1978 CG GLN B 22 -9.637 -9.390 2.413 1.00 1.11 C ATOM 1979 CD GLN B 22 -8.553 -10.365 2.832 1.00 1.98 C ATOM 1980 OE1 GLN B 22 -7.510 -10.460 2.184 1.00 2.68 O ATOM 1981 NE2 GLN B 22 -8.784 -11.093 3.909 1.00 2.65 N ATOM 0 H GLN B 22 -9.709 -6.518 3.602 1.00 0.30 H new ATOM 0 HA GLN B 22 -11.769 -7.908 2.160 1.00 0.37 H new ATOM 0 HB2 GLN B 22 -9.815 -8.542 4.378 1.00 0.47 H new ATOM 0 HB3 GLN B 22 -11.090 -9.672 3.968 1.00 0.47 H new ATOM 0 HG2 GLN B 22 -10.295 -9.879 1.695 1.00 1.11 H new ATOM 0 HG3 GLN B 22 -9.175 -8.547 1.899 1.00 1.11 H new ATOM 0 HE21 GLN B 22 -9.661 -10.985 4.419 1.00 2.65 H new ATOM 0 HE22 GLN B 22 -8.086 -11.763 4.231 1.00 2.65 H new ATOM 1990 N LYS B 23 -12.605 -6.551 4.923 1.00 0.35 N ATOM 1991 CA LYS B 23 -13.776 -6.321 5.753 1.00 0.39 C ATOM 1992 C LYS B 23 -14.871 -5.595 4.962 1.00 0.41 C ATOM 1993 O LYS B 23 -16.054 -5.894 5.118 1.00 0.49 O ATOM 1994 CB LYS B 23 -13.411 -5.542 7.020 1.00 0.41 C ATOM 1995 CG LYS B 23 -12.990 -4.121 6.778 1.00 0.42 C ATOM 1996 CD LYS B 23 -12.343 -3.549 8.014 1.00 0.63 C ATOM 1997 CE LYS B 23 -12.370 -2.045 7.970 1.00 0.64 C ATOM 1998 NZ LYS B 23 -11.655 -1.424 9.115 1.00 0.91 N ATOM 0 H LYS B 23 -11.837 -5.896 5.066 1.00 0.35 H new ATOM 0 HA LYS B 23 -14.165 -7.292 6.059 1.00 0.39 H new ATOM 0 HB2 LYS B 23 -14.269 -5.544 7.692 1.00 0.41 H new ATOM 0 HB3 LYS B 23 -12.603 -6.065 7.533 1.00 0.41 H new ATOM 0 HG2 LYS B 23 -12.292 -4.079 5.941 1.00 0.42 H new ATOM 0 HG3 LYS B 23 -13.856 -3.520 6.501 1.00 0.42 H new ATOM 0 HD2 LYS B 23 -12.865 -3.903 8.903 1.00 0.63 H new ATOM 0 HD3 LYS B 23 -11.313 -3.899 8.089 1.00 0.63 H new ATOM 0 HE2 LYS B 23 -11.919 -1.705 7.038 1.00 0.64 H new ATOM 0 HE3 LYS B 23 -13.405 -1.704 7.966 1.00 0.64 H new ATOM 0 HZ1 LYS B 23 -11.274 -0.500 8.827 1.00 0.91 H new ATOM 0 HZ2 LYS B 23 -12.316 -1.294 9.908 1.00 0.91 H new ATOM 0 HZ3 LYS B 23 -10.874 -2.042 9.413 1.00 0.91 H new ATOM 2012 N TYR B 24 -14.480 -4.649 4.107 1.00 0.36 N ATOM 2013 CA TYR B 24 -15.453 -3.918 3.295 1.00 0.39 C ATOM 2014 C TYR B 24 -15.785 -4.664 2.011 1.00 0.34 C ATOM 2015 O TYR B 24 -16.947 -4.767 1.625 1.00 0.40 O ATOM 2016 CB TYR B 24 -14.955 -2.514 2.975 1.00 0.46 C ATOM 2017 CG TYR B 24 -15.308 -1.499 4.036 1.00 0.86 C ATOM 2018 CD1 TYR B 24 -16.534 -0.847 4.010 1.00 1.66 C ATOM 2019 CD2 TYR B 24 -14.426 -1.193 5.063 1.00 1.52 C ATOM 2020 CE1 TYR B 24 -16.870 0.082 4.974 1.00 1.99 C ATOM 2021 CE2 TYR B 24 -14.755 -0.264 6.031 1.00 1.83 C ATOM 2022 CZ TYR B 24 -15.977 0.369 5.983 1.00 1.71 C ATOM 2023 OH TYR B 24 -16.306 1.295 6.945 1.00 2.15 O ATOM 0 H TYR B 24 -13.509 -4.374 3.960 1.00 0.36 H new ATOM 0 HA TYR B 24 -16.367 -3.837 3.884 1.00 0.39 H new ATOM 0 HB2 TYR B 24 -13.872 -2.539 2.852 1.00 0.46 H new ATOM 0 HB3 TYR B 24 -15.377 -2.195 2.022 1.00 0.46 H new ATOM 0 HD1 TYR B 24 -17.237 -1.071 3.221 1.00 1.66 H new ATOM 0 HD2 TYR B 24 -13.468 -1.689 5.106 1.00 1.52 H new ATOM 0 HE1 TYR B 24 -17.827 0.581 4.937 1.00 1.99 H new ATOM 0 HE2 TYR B 24 -14.057 -0.035 6.822 1.00 1.83 H new ATOM 0 HH TYR B 24 -16.005 2.183 6.661 1.00 2.15 H new ATOM 2033 N ALA B 25 -14.766 -5.187 1.352 1.00 0.29 N ATOM 2034 CA ALA B 25 -14.961 -5.976 0.146 1.00 0.34 C ATOM 2035 C ALA B 25 -15.689 -7.267 0.484 1.00 0.47 C ATOM 2036 O ALA B 25 -16.390 -7.847 -0.348 1.00 0.58 O ATOM 2037 CB ALA B 25 -13.622 -6.274 -0.507 1.00 0.37 C ATOM 0 H ALA B 25 -13.791 -5.080 1.632 1.00 0.29 H new ATOM 0 HA ALA B 25 -15.568 -5.407 -0.558 1.00 0.34 H new ATOM 0 HB1 ALA B 25 -13.781 -6.865 -1.409 1.00 0.37 H new ATOM 0 HB2 ALA B 25 -13.129 -5.338 -0.769 1.00 0.37 H new ATOM 0 HB3 ALA B 25 -12.995 -6.833 0.188 1.00 0.37 H new ATOM 2043 N GLY B 26 -15.535 -7.692 1.733 1.00 0.50 N ATOM 2044 CA GLY B 26 -16.196 -8.889 2.207 1.00 0.64 C ATOM 2045 C GLY B 26 -17.666 -8.659 2.505 1.00 0.76 C ATOM 2046 O GLY B 26 -18.362 -9.570 2.946 1.00 0.96 O ATOM 0 H GLY B 26 -14.958 -7.222 2.430 1.00 0.50 H new ATOM 0 HA2 GLY B 26 -16.099 -9.675 1.458 1.00 0.64 H new ATOM 0 HA3 GLY B 26 -15.697 -9.244 3.109 1.00 0.64 H new ATOM 2050 N LYS B 27 -18.137 -7.436 2.285 1.00 0.69 N ATOM 2051 CA LYS B 27 -19.546 -7.119 2.476 1.00 0.82 C ATOM 2052 C LYS B 27 -20.349 -7.480 1.234 1.00 0.95 C ATOM 2053 O LYS B 27 -21.508 -7.888 1.328 1.00 1.11 O ATOM 2054 CB LYS B 27 -19.737 -5.635 2.789 1.00 0.77 C ATOM 2055 CG LYS B 27 -19.080 -5.185 4.083 1.00 0.81 C ATOM 2056 CD LYS B 27 -19.365 -3.721 4.368 1.00 0.86 C ATOM 2057 CE LYS B 27 -18.807 -3.303 5.718 1.00 1.11 C ATOM 2058 NZ LYS B 27 -19.387 -2.018 6.189 1.00 1.72 N ATOM 0 H LYS B 27 -17.565 -6.651 1.975 1.00 0.69 H new ATOM 0 HA LYS B 27 -19.904 -7.707 3.321 1.00 0.82 H new ATOM 0 HB2 LYS B 27 -19.334 -5.046 1.965 1.00 0.77 H new ATOM 0 HB3 LYS B 27 -20.804 -5.420 2.842 1.00 0.77 H new ATOM 0 HG2 LYS B 27 -19.444 -5.796 4.909 1.00 0.81 H new ATOM 0 HG3 LYS B 27 -18.003 -5.342 4.020 1.00 0.81 H new ATOM 0 HD2 LYS B 27 -18.927 -3.104 3.584 1.00 0.86 H new ATOM 0 HD3 LYS B 27 -20.441 -3.547 4.347 1.00 0.86 H new ATOM 0 HE2 LYS B 27 -19.011 -4.083 6.451 1.00 1.11 H new ATOM 0 HE3 LYS B 27 -17.723 -3.207 5.648 1.00 1.11 H new ATOM 0 HZ1 LYS B 27 -19.474 -2.036 7.225 1.00 1.72 H new ATOM 0 HZ2 LYS B 27 -18.766 -1.233 5.907 1.00 1.72 H new ATOM 0 HZ3 LYS B 27 -20.327 -1.885 5.764 1.00 1.72 H new ATOM 2072 N ASP B 28 -19.729 -7.331 0.066 1.00 1.00 N ATOM 2073 CA ASP B 28 -20.417 -7.599 -1.191 1.00 1.19 C ATOM 2074 C ASP B 28 -20.394 -9.091 -1.505 1.00 1.26 C ATOM 2075 O ASP B 28 -21.282 -9.617 -2.173 1.00 1.58 O ATOM 2076 CB ASP B 28 -19.770 -6.807 -2.331 1.00 1.33 C ATOM 2077 CG ASP B 28 -20.542 -6.917 -3.634 1.00 1.65 C ATOM 2078 OD1 ASP B 28 -21.502 -6.145 -3.823 1.00 2.09 O ATOM 2079 OD2 ASP B 28 -20.189 -7.766 -4.481 1.00 2.15 O ATOM 0 H ASP B 28 -18.760 -7.029 -0.035 1.00 1.00 H new ATOM 0 HA ASP B 28 -21.455 -7.282 -1.091 1.00 1.19 H new ATOM 0 HB2 ASP B 28 -19.698 -5.758 -2.044 1.00 1.33 H new ATOM 0 HB3 ASP B 28 -18.752 -7.166 -2.485 1.00 1.33 H new ATOM 2084 N GLY B 29 -19.376 -9.766 -0.980 1.00 1.15 N ATOM 2085 CA GLY B 29 -19.303 -11.216 -1.055 1.00 1.32 C ATOM 2086 C GLY B 29 -19.110 -11.759 -2.461 1.00 1.51 C ATOM 2087 O GLY B 29 -19.341 -12.945 -2.700 1.00 1.64 O ATOM 0 H GLY B 29 -18.591 -9.329 -0.498 1.00 1.15 H new ATOM 0 HA2 GLY B 29 -18.480 -11.560 -0.429 1.00 1.32 H new ATOM 0 HA3 GLY B 29 -20.218 -11.637 -0.638 1.00 1.32 H new ATOM 2091 N TYR B 30 -18.688 -10.906 -3.389 1.00 2.07 N ATOM 2092 CA TYR B 30 -18.453 -11.333 -4.765 1.00 2.80 C ATOM 2093 C TYR B 30 -17.193 -12.198 -4.853 1.00 2.61 C ATOM 2094 O TYR B 30 -17.259 -13.417 -4.712 1.00 3.02 O ATOM 2095 CB TYR B 30 -18.350 -10.109 -5.689 1.00 3.68 C ATOM 2096 CG TYR B 30 -18.063 -10.437 -7.139 1.00 4.52 C ATOM 2097 CD1 TYR B 30 -18.987 -11.118 -7.920 1.00 5.11 C ATOM 2098 CD2 TYR B 30 -16.863 -10.057 -7.727 1.00 5.12 C ATOM 2099 CE1 TYR B 30 -18.723 -11.412 -9.244 1.00 6.04 C ATOM 2100 CE2 TYR B 30 -16.591 -10.346 -9.048 1.00 6.09 C ATOM 2101 CZ TYR B 30 -17.524 -11.024 -9.802 1.00 6.46 C ATOM 2102 OH TYR B 30 -17.254 -11.320 -11.118 1.00 7.51 O ATOM 0 H TYR B 30 -18.502 -9.918 -3.215 1.00 2.07 H new ATOM 0 HA TYR B 30 -19.297 -11.939 -5.094 1.00 2.80 H new ATOM 0 HB2 TYR B 30 -19.284 -9.549 -5.635 1.00 3.68 H new ATOM 0 HB3 TYR B 30 -17.563 -9.453 -5.316 1.00 3.68 H new ATOM 0 HD1 TYR B 30 -19.928 -11.423 -7.486 1.00 5.11 H new ATOM 0 HD2 TYR B 30 -16.130 -9.525 -7.139 1.00 5.12 H new ATOM 0 HE1 TYR B 30 -19.452 -11.943 -9.838 1.00 6.04 H new ATOM 0 HE2 TYR B 30 -15.653 -10.043 -9.489 1.00 6.09 H new ATOM 0 HH TYR B 30 -16.368 -10.976 -11.356 1.00 7.51 H new ATOM 2112 N ASN B 31 -16.050 -11.561 -5.068 1.00 2.62 N ATOM 2113 CA ASN B 31 -14.766 -12.255 -5.119 1.00 2.78 C ATOM 2114 C ASN B 31 -13.783 -11.535 -4.218 1.00 1.96 C ATOM 2115 O ASN B 31 -12.601 -11.400 -4.550 1.00 2.53 O ATOM 2116 CB ASN B 31 -14.203 -12.295 -6.551 1.00 3.85 C ATOM 2117 CG ASN B 31 -14.868 -13.325 -7.448 1.00 4.61 C ATOM 2118 OD1 ASN B 31 -16.050 -13.630 -7.308 1.00 4.92 O ATOM 2119 ND2 ASN B 31 -14.107 -13.865 -8.387 1.00 5.33 N ATOM 0 H ASN B 31 -15.984 -10.553 -5.212 1.00 2.62 H new ATOM 0 HA ASN B 31 -14.916 -13.282 -4.785 1.00 2.78 H new ATOM 0 HB2 ASN B 31 -14.315 -11.309 -7.002 1.00 3.85 H new ATOM 0 HB3 ASN B 31 -13.134 -12.505 -6.505 1.00 3.85 H new ATOM 0 HD21 ASN B 31 -14.498 -14.559 -9.024 1.00 5.33 H new ATOM 0 HD22 ASN B 31 -13.129 -13.587 -8.473 1.00 5.33 H new ATOM 2126 N TYR B 32 -14.284 -11.086 -3.070 1.00 1.18 N ATOM 2127 CA TYR B 32 -13.544 -10.181 -2.199 1.00 1.18 C ATOM 2128 C TYR B 32 -13.121 -8.947 -2.985 1.00 0.91 C ATOM 2129 O TYR B 32 -11.939 -8.640 -3.122 1.00 1.04 O ATOM 2130 CB TYR B 32 -12.346 -10.879 -1.551 1.00 1.78 C ATOM 2131 CG TYR B 32 -12.753 -11.904 -0.516 1.00 2.38 C ATOM 2132 CD1 TYR B 32 -13.164 -11.506 0.750 1.00 3.08 C ATOM 2133 CD2 TYR B 32 -12.737 -13.263 -0.804 1.00 2.99 C ATOM 2134 CE1 TYR B 32 -13.548 -12.432 1.700 1.00 3.93 C ATOM 2135 CE2 TYR B 32 -13.118 -14.196 0.142 1.00 3.86 C ATOM 2136 CZ TYR B 32 -13.523 -13.775 1.393 1.00 4.19 C ATOM 2137 OH TYR B 32 -13.906 -14.699 2.341 1.00 5.19 O ATOM 0 H TYR B 32 -15.208 -11.338 -2.720 1.00 1.18 H new ATOM 0 HA TYR B 32 -14.197 -9.866 -1.385 1.00 1.18 H new ATOM 0 HB2 TYR B 32 -11.753 -11.367 -2.325 1.00 1.78 H new ATOM 0 HB3 TYR B 32 -11.706 -10.131 -1.083 1.00 1.78 H new ATOM 0 HD1 TYR B 32 -13.184 -10.454 0.995 1.00 3.08 H new ATOM 0 HD2 TYR B 32 -12.422 -13.596 -1.782 1.00 2.99 H new ATOM 0 HE1 TYR B 32 -13.866 -12.105 2.679 1.00 3.93 H new ATOM 0 HE2 TYR B 32 -13.099 -15.249 -0.096 1.00 3.86 H new ATOM 0 HH TYR B 32 -13.832 -15.602 1.967 1.00 5.19 H new ATOM 2147 N THR B 33 -14.123 -8.267 -3.513 1.00 0.66 N ATOM 2148 CA THR B 33 -13.939 -7.063 -4.300 1.00 0.45 C ATOM 2149 C THR B 33 -14.770 -5.954 -3.678 1.00 0.37 C ATOM 2150 O THR B 33 -15.898 -6.183 -3.238 1.00 0.44 O ATOM 2151 CB THR B 33 -14.378 -7.308 -5.759 1.00 0.45 C ATOM 2152 OG1 THR B 33 -14.190 -8.693 -6.092 1.00 0.66 O ATOM 2153 CG2 THR B 33 -13.583 -6.451 -6.734 1.00 0.43 C ATOM 0 H THR B 33 -15.100 -8.540 -3.405 1.00 0.66 H new ATOM 0 HA THR B 33 -12.887 -6.779 -4.307 1.00 0.45 H new ATOM 0 HB THR B 33 -15.430 -7.036 -5.841 1.00 0.45 H new ATOM 0 HG1 THR B 33 -14.158 -8.794 -7.066 1.00 0.66 H new ATOM 0 HG21 THR B 33 -13.919 -6.650 -7.751 1.00 0.43 H new ATOM 0 HG22 THR B 33 -13.736 -5.397 -6.501 1.00 0.43 H new ATOM 0 HG23 THR B 33 -12.523 -6.691 -6.649 1.00 0.43 H new ATOM 2161 N LEU B 34 -14.208 -4.766 -3.624 1.00 0.32 N ATOM 2162 CA LEU B 34 -14.842 -3.658 -2.943 1.00 0.30 C ATOM 2163 C LEU B 34 -15.812 -2.974 -3.877 1.00 0.31 C ATOM 2164 O LEU B 34 -15.423 -2.231 -4.774 1.00 0.34 O ATOM 2165 CB LEU B 34 -13.759 -2.693 -2.456 1.00 0.29 C ATOM 2166 CG LEU B 34 -13.747 -2.413 -0.955 1.00 0.29 C ATOM 2167 CD1 LEU B 34 -12.467 -1.699 -0.552 1.00 0.45 C ATOM 2168 CD2 LEU B 34 -14.949 -1.583 -0.564 1.00 0.28 C ATOM 0 H LEU B 34 -13.307 -4.542 -4.047 1.00 0.32 H new ATOM 0 HA LEU B 34 -15.406 -4.014 -2.080 1.00 0.30 H new ATOM 0 HB2 LEU B 34 -12.786 -3.095 -2.740 1.00 0.29 H new ATOM 0 HB3 LEU B 34 -13.879 -1.746 -2.983 1.00 0.29 H new ATOM 0 HG LEU B 34 -13.792 -3.367 -0.430 1.00 0.29 H new ATOM 0 HD11 LEU B 34 -12.479 -1.509 0.521 1.00 0.45 H new ATOM 0 HD12 LEU B 34 -11.609 -2.323 -0.801 1.00 0.45 H new ATOM 0 HD13 LEU B 34 -12.394 -0.752 -1.087 1.00 0.45 H new ATOM 0 HD21 LEU B 34 -14.926 -1.392 0.509 1.00 0.28 H new ATOM 0 HD22 LEU B 34 -14.927 -0.635 -1.102 1.00 0.28 H new ATOM 0 HD23 LEU B 34 -15.862 -2.123 -0.817 1.00 0.28 H new ATOM 2180 N SER B 35 -17.082 -3.256 -3.648 1.00 0.31 N ATOM 2181 CA SER B 35 -18.144 -2.791 -4.508 1.00 0.33 C ATOM 2182 C SER B 35 -18.340 -1.293 -4.360 1.00 0.32 C ATOM 2183 O SER B 35 -17.790 -0.682 -3.446 1.00 0.30 O ATOM 2184 CB SER B 35 -19.428 -3.553 -4.187 1.00 0.37 C ATOM 2185 OG SER B 35 -20.425 -3.341 -5.172 1.00 0.40 O ATOM 0 H SER B 35 -17.402 -3.816 -2.857 1.00 0.31 H new ATOM 0 HA SER B 35 -17.875 -2.982 -5.547 1.00 0.33 H new ATOM 0 HB2 SER B 35 -19.210 -4.618 -4.114 1.00 0.37 H new ATOM 0 HB3 SER B 35 -19.805 -3.237 -3.214 1.00 0.37 H new ATOM 0 HG SER B 35 -21.231 -3.845 -4.935 1.00 0.40 H new ATOM 2191 N LYS B 36 -19.123 -0.713 -5.262 1.00 0.38 N ATOM 2192 CA LYS B 36 -19.313 0.728 -5.307 1.00 0.42 C ATOM 2193 C LYS B 36 -19.708 1.268 -3.940 1.00 0.36 C ATOM 2194 O LYS B 36 -18.957 2.020 -3.333 1.00 0.35 O ATOM 2195 CB LYS B 36 -20.379 1.091 -6.341 1.00 0.53 C ATOM 2196 CG LYS B 36 -20.467 2.580 -6.639 1.00 0.62 C ATOM 2197 CD LYS B 36 -19.198 3.084 -7.308 1.00 0.66 C ATOM 2198 CE LYS B 36 -19.300 4.553 -7.678 1.00 0.61 C ATOM 2199 NZ LYS B 36 -20.410 4.817 -8.631 1.00 0.65 N ATOM 0 H LYS B 36 -19.640 -1.225 -5.977 1.00 0.38 H new ATOM 0 HA LYS B 36 -18.367 1.185 -5.597 1.00 0.42 H new ATOM 0 HB2 LYS B 36 -20.169 0.557 -7.268 1.00 0.53 H new ATOM 0 HB3 LYS B 36 -21.349 0.744 -5.986 1.00 0.53 H new ATOM 0 HG2 LYS B 36 -21.323 2.774 -7.285 1.00 0.62 H new ATOM 0 HG3 LYS B 36 -20.636 3.129 -5.713 1.00 0.62 H new ATOM 0 HD2 LYS B 36 -18.351 2.936 -6.638 1.00 0.66 H new ATOM 0 HD3 LYS B 36 -19.002 2.496 -8.205 1.00 0.66 H new ATOM 0 HE2 LYS B 36 -19.451 5.144 -6.774 1.00 0.61 H new ATOM 0 HE3 LYS B 36 -18.359 4.881 -8.119 1.00 0.61 H new ATOM 0 HZ1 LYS B 36 -20.255 5.732 -9.100 1.00 0.65 H new ATOM 0 HZ2 LYS B 36 -20.440 4.062 -9.346 1.00 0.65 H new ATOM 0 HZ3 LYS B 36 -21.312 4.841 -8.115 1.00 0.65 H new ATOM 2213 N THR B 37 -20.854 0.835 -3.438 1.00 0.37 N ATOM 2214 CA THR B 37 -21.371 1.334 -2.173 1.00 0.38 C ATOM 2215 C THR B 37 -20.462 0.958 -1.002 1.00 0.36 C ATOM 2216 O THR B 37 -20.333 1.710 -0.030 1.00 0.38 O ATOM 2217 CB THR B 37 -22.777 0.785 -1.911 1.00 0.44 C ATOM 2218 OG1 THR B 37 -23.606 0.994 -3.066 1.00 0.47 O ATOM 2219 CG2 THR B 37 -23.395 1.467 -0.701 1.00 0.49 C ATOM 0 H THR B 37 -21.445 0.137 -3.889 1.00 0.37 H new ATOM 0 HA THR B 37 -21.408 2.421 -2.250 1.00 0.38 H new ATOM 0 HB THR B 37 -22.703 -0.284 -1.710 1.00 0.44 H new ATOM 0 HG1 THR B 37 -24.503 0.639 -2.893 1.00 0.47 H new ATOM 0 HG21 THR B 37 -24.394 1.066 -0.528 1.00 0.49 H new ATOM 0 HG22 THR B 37 -22.774 1.285 0.176 1.00 0.49 H new ATOM 0 HG23 THR B 37 -23.461 2.540 -0.882 1.00 0.49 H new ATOM 2227 N GLU B 38 -19.818 -0.194 -1.109 1.00 0.34 N ATOM 2228 CA GLU B 38 -18.908 -0.662 -0.072 1.00 0.33 C ATOM 2229 C GLU B 38 -17.696 0.246 -0.024 1.00 0.33 C ATOM 2230 O GLU B 38 -17.151 0.524 1.042 1.00 0.48 O ATOM 2231 CB GLU B 38 -18.476 -2.107 -0.332 1.00 0.34 C ATOM 2232 CG GLU B 38 -19.518 -3.151 0.052 1.00 0.47 C ATOM 2233 CD GLU B 38 -20.895 -2.867 -0.509 1.00 1.27 C ATOM 2234 OE1 GLU B 38 -21.045 -2.812 -1.744 1.00 1.96 O ATOM 2235 OE2 GLU B 38 -21.837 -2.685 0.286 1.00 2.16 O ATOM 0 H GLU B 38 -19.908 -0.825 -1.906 1.00 0.34 H new ATOM 0 HA GLU B 38 -19.424 -0.635 0.887 1.00 0.33 H new ATOM 0 HB2 GLU B 38 -18.240 -2.219 -1.390 1.00 0.34 H new ATOM 0 HB3 GLU B 38 -17.559 -2.305 0.222 1.00 0.34 H new ATOM 0 HG2 GLU B 38 -19.187 -4.129 -0.298 1.00 0.47 H new ATOM 0 HG3 GLU B 38 -19.582 -3.206 1.139 1.00 0.47 H new ATOM 2242 N PHE B 39 -17.304 0.727 -1.194 1.00 0.29 N ATOM 2243 CA PHE B 39 -16.162 1.606 -1.330 1.00 0.31 C ATOM 2244 C PHE B 39 -16.554 3.013 -0.931 1.00 0.28 C ATOM 2245 O PHE B 39 -15.747 3.764 -0.392 1.00 0.27 O ATOM 2246 CB PHE B 39 -15.664 1.585 -2.771 1.00 0.53 C ATOM 2247 CG PHE B 39 -14.331 2.239 -2.967 1.00 0.81 C ATOM 2248 CD1 PHE B 39 -13.238 1.841 -2.217 1.00 1.78 C ATOM 2249 CD2 PHE B 39 -14.169 3.240 -3.907 1.00 1.76 C ATOM 2250 CE1 PHE B 39 -12.006 2.432 -2.399 1.00 2.66 C ATOM 2251 CE2 PHE B 39 -12.939 3.836 -4.095 1.00 2.61 C ATOM 2252 CZ PHE B 39 -11.856 3.433 -3.340 1.00 2.87 C ATOM 0 H PHE B 39 -17.772 0.516 -2.075 1.00 0.29 H new ATOM 0 HA PHE B 39 -15.360 1.263 -0.676 1.00 0.31 H new ATOM 0 HB2 PHE B 39 -15.602 0.550 -3.108 1.00 0.53 H new ATOM 0 HB3 PHE B 39 -16.398 2.083 -3.405 1.00 0.53 H new ATOM 0 HD1 PHE B 39 -13.352 1.059 -1.481 1.00 1.78 H new ATOM 0 HD2 PHE B 39 -15.014 3.558 -4.500 1.00 1.76 H new ATOM 0 HE1 PHE B 39 -11.160 2.114 -1.808 1.00 2.66 H new ATOM 0 HE2 PHE B 39 -12.824 4.617 -4.832 1.00 2.61 H new ATOM 0 HZ PHE B 39 -10.893 3.899 -3.484 1.00 2.87 H new ATOM 2262 N LEU B 40 -17.801 3.357 -1.203 1.00 0.33 N ATOM 2263 CA LEU B 40 -18.347 4.634 -0.791 1.00 0.37 C ATOM 2264 C LEU B 40 -18.308 4.730 0.725 1.00 0.40 C ATOM 2265 O LEU B 40 -17.783 5.688 1.292 1.00 0.43 O ATOM 2266 CB LEU B 40 -19.785 4.786 -1.288 1.00 0.43 C ATOM 2267 CG LEU B 40 -19.996 4.591 -2.793 1.00 0.50 C ATOM 2268 CD1 LEU B 40 -21.305 5.217 -3.243 1.00 1.07 C ATOM 2269 CD2 LEU B 40 -18.824 5.139 -3.586 1.00 0.46 C ATOM 0 H LEU B 40 -18.457 2.763 -1.711 1.00 0.33 H new ATOM 0 HA LEU B 40 -17.748 5.435 -1.224 1.00 0.37 H new ATOM 0 HB2 LEU B 40 -20.410 4.068 -0.757 1.00 0.43 H new ATOM 0 HB3 LEU B 40 -20.140 5.780 -1.017 1.00 0.43 H new ATOM 0 HG LEU B 40 -20.054 3.520 -2.987 1.00 0.50 H new ATOM 0 HD11 LEU B 40 -21.431 5.065 -4.315 1.00 1.07 H new ATOM 0 HD12 LEU B 40 -22.134 4.750 -2.710 1.00 1.07 H new ATOM 0 HD13 LEU B 40 -21.291 6.285 -3.027 1.00 1.07 H new ATOM 0 HD21 LEU B 40 -19.002 4.987 -4.651 1.00 0.46 H new ATOM 0 HD22 LEU B 40 -18.715 6.205 -3.385 1.00 0.46 H new ATOM 0 HD23 LEU B 40 -17.912 4.620 -3.293 1.00 0.46 H new ATOM 2281 N SER B 41 -18.850 3.709 1.371 1.00 0.42 N ATOM 2282 CA SER B 41 -18.822 3.613 2.818 1.00 0.52 C ATOM 2283 C SER B 41 -17.379 3.562 3.307 1.00 0.45 C ATOM 2284 O SER B 41 -17.012 4.257 4.252 1.00 0.47 O ATOM 2285 CB SER B 41 -19.582 2.367 3.272 1.00 0.67 C ATOM 2286 OG SER B 41 -20.894 2.347 2.734 1.00 1.40 O ATOM 0 H SER B 41 -19.318 2.930 0.909 1.00 0.42 H new ATOM 0 HA SER B 41 -19.305 4.492 3.245 1.00 0.52 H new ATOM 0 HB2 SER B 41 -19.043 1.473 2.958 1.00 0.67 H new ATOM 0 HB3 SER B 41 -19.631 2.343 4.361 1.00 0.67 H new ATOM 0 HG SER B 41 -20.857 2.077 1.793 1.00 1.40 H new ATOM 2292 N PHE B 42 -16.567 2.744 2.639 1.00 0.42 N ATOM 2293 CA PHE B 42 -15.146 2.627 2.945 1.00 0.46 C ATOM 2294 C PHE B 42 -14.479 3.984 2.929 1.00 0.29 C ATOM 2295 O PHE B 42 -13.933 4.420 3.924 1.00 0.42 O ATOM 2296 CB PHE B 42 -14.450 1.723 1.927 1.00 0.80 C ATOM 2297 CG PHE B 42 -12.985 1.541 2.200 1.00 1.89 C ATOM 2298 CD1 PHE B 42 -12.550 0.536 3.043 1.00 2.69 C ATOM 2299 CD2 PHE B 42 -12.046 2.383 1.627 1.00 2.77 C ATOM 2300 CE1 PHE B 42 -11.210 0.372 3.313 1.00 3.73 C ATOM 2301 CE2 PHE B 42 -10.702 2.226 1.895 1.00 3.80 C ATOM 2302 CZ PHE B 42 -10.283 1.218 2.740 1.00 4.13 C ATOM 0 H PHE B 42 -16.877 2.146 1.873 1.00 0.42 H new ATOM 0 HA PHE B 42 -15.058 2.193 3.941 1.00 0.46 H new ATOM 0 HB2 PHE B 42 -14.936 0.747 1.925 1.00 0.80 H new ATOM 0 HB3 PHE B 42 -14.577 2.145 0.930 1.00 0.80 H new ATOM 0 HD1 PHE B 42 -13.270 -0.129 3.496 1.00 2.69 H new ATOM 0 HD2 PHE B 42 -12.370 3.171 0.963 1.00 2.77 H new ATOM 0 HE1 PHE B 42 -10.885 -0.419 3.973 1.00 3.73 H new ATOM 0 HE2 PHE B 42 -9.979 2.890 1.445 1.00 3.80 H new ATOM 0 HZ PHE B 42 -9.232 1.092 2.952 1.00 4.13 H new ATOM 2312 N MET B 43 -14.527 4.652 1.801 1.00 0.26 N ATOM 2313 CA MET B 43 -13.824 5.912 1.657 1.00 0.29 C ATOM 2314 C MET B 43 -14.362 6.993 2.583 1.00 0.29 C ATOM 2315 O MET B 43 -13.612 7.855 3.015 1.00 0.37 O ATOM 2316 CB MET B 43 -13.864 6.404 0.226 1.00 0.38 C ATOM 2317 CG MET B 43 -13.002 5.590 -0.726 1.00 0.62 C ATOM 2318 SD MET B 43 -12.483 6.525 -2.181 1.00 1.22 S ATOM 2319 CE MET B 43 -11.387 7.736 -1.442 1.00 2.25 C ATOM 0 H MET B 43 -15.040 4.350 0.973 1.00 0.26 H new ATOM 0 HA MET B 43 -12.791 5.713 1.941 1.00 0.29 H new ATOM 0 HB2 MET B 43 -14.895 6.385 -0.126 1.00 0.38 H new ATOM 0 HB3 MET B 43 -13.537 7.443 0.199 1.00 0.38 H new ATOM 0 HG2 MET B 43 -12.119 5.235 -0.195 1.00 0.62 H new ATOM 0 HG3 MET B 43 -13.557 4.708 -1.046 1.00 0.62 H new ATOM 0 HE1 MET B 43 -11.782 8.737 -1.614 1.00 2.25 H new ATOM 0 HE2 MET B 43 -11.314 7.554 -0.370 1.00 2.25 H new ATOM 0 HE3 MET B 43 -10.398 7.654 -1.892 1.00 2.25 H new ATOM 2329 N ASN B 44 -15.646 6.965 2.898 1.00 0.29 N ATOM 2330 CA ASN B 44 -16.192 7.967 3.807 1.00 0.33 C ATOM 2331 C ASN B 44 -15.845 7.658 5.258 1.00 0.32 C ATOM 2332 O ASN B 44 -15.981 8.516 6.126 1.00 0.39 O ATOM 2333 CB ASN B 44 -17.705 8.103 3.681 1.00 0.42 C ATOM 2334 CG ASN B 44 -18.139 8.934 2.490 1.00 1.05 C ATOM 2335 OD1 ASN B 44 -18.154 10.164 2.550 1.00 1.53 O ATOM 2336 ND2 ASN B 44 -18.533 8.276 1.417 1.00 1.83 N ATOM 0 H ASN B 44 -16.317 6.280 2.550 1.00 0.29 H new ATOM 0 HA ASN B 44 -15.731 8.911 3.516 1.00 0.33 H new ATOM 0 HB2 ASN B 44 -18.146 7.109 3.601 1.00 0.42 H new ATOM 0 HB3 ASN B 44 -18.099 8.554 4.592 1.00 0.42 H new ATOM 0 HD21 ASN B 44 -18.865 8.787 0.599 1.00 1.83 H new ATOM 0 HD22 ASN B 44 -18.506 7.256 1.405 1.00 1.83 H new ATOM 2343 N THR B 45 -15.421 6.432 5.529 1.00 0.27 N ATOM 2344 CA THR B 45 -15.040 6.056 6.890 1.00 0.29 C ATOM 2345 C THR B 45 -13.532 5.957 7.041 1.00 0.28 C ATOM 2346 O THR B 45 -12.907 6.713 7.787 1.00 0.34 O ATOM 2347 CB THR B 45 -15.656 4.706 7.305 1.00 0.30 C ATOM 2348 OG1 THR B 45 -15.479 3.739 6.262 1.00 0.34 O ATOM 2349 CG2 THR B 45 -17.134 4.854 7.616 1.00 0.34 C ATOM 0 H THR B 45 -15.331 5.687 4.838 1.00 0.27 H new ATOM 0 HA THR B 45 -15.423 6.845 7.538 1.00 0.29 H new ATOM 0 HB THR B 45 -15.144 4.366 8.205 1.00 0.30 H new ATOM 0 HG1 THR B 45 -16.094 3.937 5.525 1.00 0.34 H new ATOM 0 HG21 THR B 45 -17.543 3.886 7.906 1.00 0.34 H new ATOM 0 HG22 THR B 45 -17.265 5.563 8.433 1.00 0.34 H new ATOM 0 HG23 THR B 45 -17.657 5.219 6.732 1.00 0.34 H new ATOM 2357 N GLU B 46 -12.966 5.038 6.290 1.00 0.23 N ATOM 2358 CA GLU B 46 -11.569 4.689 6.386 1.00 0.25 C ATOM 2359 C GLU B 46 -10.698 5.715 5.667 1.00 0.25 C ATOM 2360 O GLU B 46 -9.500 5.774 5.883 1.00 0.34 O ATOM 2361 CB GLU B 46 -11.348 3.301 5.787 1.00 0.29 C ATOM 2362 CG GLU B 46 -12.270 2.228 6.351 1.00 0.57 C ATOM 2363 CD GLU B 46 -12.022 1.936 7.818 1.00 1.17 C ATOM 2364 OE1 GLU B 46 -11.177 1.072 8.125 1.00 1.70 O ATOM 2365 OE2 GLU B 46 -12.687 2.553 8.675 1.00 1.68 O ATOM 0 H GLU B 46 -13.474 4.504 5.584 1.00 0.23 H new ATOM 0 HA GLU B 46 -11.283 4.683 7.438 1.00 0.25 H new ATOM 0 HB2 GLU B 46 -11.489 3.356 4.708 1.00 0.29 H new ATOM 0 HB3 GLU B 46 -10.314 3.003 5.958 1.00 0.29 H new ATOM 0 HG2 GLU B 46 -13.305 2.543 6.220 1.00 0.57 H new ATOM 0 HG3 GLU B 46 -12.141 1.310 5.778 1.00 0.57 H new ATOM 2372 N LEU B 47 -11.292 6.517 4.800 1.00 0.25 N ATOM 2373 CA LEU B 47 -10.525 7.532 4.093 1.00 0.26 C ATOM 2374 C LEU B 47 -11.229 8.869 4.128 1.00 0.28 C ATOM 2375 O LEU B 47 -11.086 9.681 3.216 1.00 0.30 O ATOM 2376 CB LEU B 47 -10.281 7.119 2.648 1.00 0.26 C ATOM 2377 CG LEU B 47 -9.472 5.841 2.475 1.00 0.27 C ATOM 2378 CD1 LEU B 47 -9.417 5.451 1.012 1.00 0.32 C ATOM 2379 CD2 LEU B 47 -8.072 6.028 3.038 1.00 0.28 C ATOM 0 H LEU B 47 -12.285 6.488 4.570 1.00 0.25 H new ATOM 0 HA LEU B 47 -9.565 7.629 4.600 1.00 0.26 H new ATOM 0 HB2 LEU B 47 -11.244 6.992 2.154 1.00 0.26 H new ATOM 0 HB3 LEU B 47 -9.765 7.931 2.135 1.00 0.26 H new ATOM 0 HG LEU B 47 -9.958 5.036 3.025 1.00 0.27 H new ATOM 0 HD11 LEU B 47 -8.836 4.536 0.901 1.00 0.32 H new ATOM 0 HD12 LEU B 47 -10.429 5.286 0.641 1.00 0.32 H new ATOM 0 HD13 LEU B 47 -8.947 6.251 0.440 1.00 0.32 H new ATOM 0 HD21 LEU B 47 -7.502 5.108 2.909 1.00 0.28 H new ATOM 0 HD22 LEU B 47 -7.573 6.841 2.510 1.00 0.28 H new ATOM 0 HD23 LEU B 47 -8.136 6.270 4.099 1.00 0.28 H new ATOM 2391 N ALA B 48 -12.008 9.084 5.176 1.00 0.32 N ATOM 2392 CA ALA B 48 -12.722 10.334 5.348 1.00 0.37 C ATOM 2393 C ALA B 48 -11.760 11.515 5.383 1.00 0.39 C ATOM 2394 O ALA B 48 -12.128 12.631 5.029 1.00 0.44 O ATOM 2395 CB ALA B 48 -13.562 10.275 6.606 1.00 0.41 C ATOM 0 H ALA B 48 -12.161 8.405 5.922 1.00 0.32 H new ATOM 0 HA ALA B 48 -13.383 10.480 4.494 1.00 0.37 H new ATOM 0 HB1 ALA B 48 -14.097 11.217 6.731 1.00 0.41 H new ATOM 0 HB2 ALA B 48 -14.279 9.458 6.527 1.00 0.41 H new ATOM 0 HB3 ALA B 48 -12.916 10.108 7.468 1.00 0.41 H new ATOM 2401 N ALA B 49 -10.521 11.248 5.784 1.00 0.38 N ATOM 2402 CA ALA B 49 -9.469 12.255 5.769 1.00 0.41 C ATOM 2403 C ALA B 49 -9.300 12.831 4.371 1.00 0.41 C ATOM 2404 O ALA B 49 -9.150 14.039 4.197 1.00 0.47 O ATOM 2405 CB ALA B 49 -8.162 11.641 6.237 1.00 0.44 C ATOM 0 H ALA B 49 -10.221 10.335 6.126 1.00 0.38 H new ATOM 0 HA ALA B 49 -9.750 13.063 6.445 1.00 0.41 H new ATOM 0 HB1 ALA B 49 -7.379 12.399 6.224 1.00 0.44 H new ATOM 0 HB2 ALA B 49 -8.281 11.260 7.251 1.00 0.44 H new ATOM 0 HB3 ALA B 49 -7.886 10.822 5.572 1.00 0.44 H new ATOM 2411 N PHE B 50 -9.336 11.951 3.385 1.00 0.36 N ATOM 2412 CA PHE B 50 -9.207 12.339 1.990 1.00 0.37 C ATOM 2413 C PHE B 50 -10.564 12.744 1.424 1.00 0.38 C ATOM 2414 O PHE B 50 -10.721 13.821 0.849 1.00 0.44 O ATOM 2415 CB PHE B 50 -8.649 11.161 1.191 1.00 0.35 C ATOM 2416 CG PHE B 50 -8.398 11.464 -0.260 1.00 0.70 C ATOM 2417 CD1 PHE B 50 -7.239 12.114 -0.655 1.00 1.33 C ATOM 2418 CD2 PHE B 50 -9.317 11.093 -1.231 1.00 1.63 C ATOM 2419 CE1 PHE B 50 -7.003 12.390 -1.988 1.00 1.67 C ATOM 2420 CE2 PHE B 50 -9.086 11.369 -2.564 1.00 2.10 C ATOM 2421 CZ PHE B 50 -7.927 12.018 -2.944 1.00 1.80 C ATOM 0 H PHE B 50 -9.455 10.948 3.528 1.00 0.36 H new ATOM 0 HA PHE B 50 -8.530 13.190 1.917 1.00 0.37 H new ATOM 0 HB2 PHE B 50 -7.715 10.835 1.649 1.00 0.35 H new ATOM 0 HB3 PHE B 50 -9.346 10.326 1.261 1.00 0.35 H new ATOM 0 HD1 PHE B 50 -6.512 12.408 0.088 1.00 1.33 H new ATOM 0 HD2 PHE B 50 -10.223 10.582 -0.941 1.00 1.63 H new ATOM 0 HE1 PHE B 50 -6.096 12.897 -2.282 1.00 1.67 H new ATOM 0 HE2 PHE B 50 -9.811 11.078 -3.309 1.00 2.10 H new ATOM 0 HZ PHE B 50 -7.744 12.234 -3.986 1.00 1.80 H new ATOM 2431 N THR B 51 -11.534 11.867 1.619 1.00 0.36 N ATOM 2432 CA THR B 51 -12.866 12.014 1.056 1.00 0.40 C ATOM 2433 C THR B 51 -13.540 13.317 1.473 1.00 0.45 C ATOM 2434 O THR B 51 -14.063 14.053 0.634 1.00 0.53 O ATOM 2435 CB THR B 51 -13.738 10.831 1.498 1.00 0.39 C ATOM 2436 OG1 THR B 51 -13.190 9.610 0.993 1.00 0.39 O ATOM 2437 CG2 THR B 51 -15.176 10.991 1.033 1.00 0.49 C ATOM 0 H THR B 51 -11.418 11.023 2.179 1.00 0.36 H new ATOM 0 HA THR B 51 -12.759 12.034 -0.029 1.00 0.40 H new ATOM 0 HB THR B 51 -13.744 10.805 2.588 1.00 0.39 H new ATOM 0 HG1 THR B 51 -13.193 8.933 1.701 1.00 0.39 H new ATOM 0 HG21 THR B 51 -15.763 10.135 1.365 1.00 0.49 H new ATOM 0 HG22 THR B 51 -15.596 11.904 1.456 1.00 0.49 H new ATOM 0 HG23 THR B 51 -15.202 11.049 -0.055 1.00 0.49 H new ATOM 2445 N LYS B 52 -13.521 13.608 2.765 1.00 0.47 N ATOM 2446 CA LYS B 52 -14.220 14.776 3.281 1.00 0.60 C ATOM 2447 C LYS B 52 -13.415 16.039 3.011 1.00 0.69 C ATOM 2448 O LYS B 52 -13.937 17.149 3.080 1.00 0.84 O ATOM 2449 CB LYS B 52 -14.477 14.634 4.782 1.00 0.70 C ATOM 2450 CG LYS B 52 -15.240 13.372 5.163 1.00 0.78 C ATOM 2451 CD LYS B 52 -16.649 13.360 4.591 1.00 1.07 C ATOM 2452 CE LYS B 52 -17.434 12.154 5.085 1.00 1.24 C ATOM 2453 NZ LYS B 52 -18.801 12.101 4.509 1.00 1.82 N ATOM 0 H LYS B 52 -13.033 13.056 3.471 1.00 0.47 H new ATOM 0 HA LYS B 52 -15.179 14.850 2.768 1.00 0.60 H new ATOM 0 HB2 LYS B 52 -13.521 14.641 5.306 1.00 0.70 H new ATOM 0 HB3 LYS B 52 -15.036 15.503 5.128 1.00 0.70 H new ATOM 0 HG2 LYS B 52 -14.696 12.498 4.804 1.00 0.78 H new ATOM 0 HG3 LYS B 52 -15.290 13.293 6.249 1.00 0.78 H new ATOM 0 HD2 LYS B 52 -17.167 14.276 4.875 1.00 1.07 H new ATOM 0 HD3 LYS B 52 -16.602 13.345 3.502 1.00 1.07 H new ATOM 0 HE2 LYS B 52 -16.897 11.242 4.826 1.00 1.24 H new ATOM 0 HE3 LYS B 52 -17.501 12.187 6.172 1.00 1.24 H new ATOM 0 HZ1 LYS B 52 -19.477 11.813 5.245 1.00 1.82 H new ATOM 0 HZ2 LYS B 52 -19.062 13.041 4.148 1.00 1.82 H new ATOM 0 HZ3 LYS B 52 -18.823 11.412 3.730 1.00 1.82 H new ATOM 2467 N ASN B 53 -12.142 15.854 2.692 1.00 0.68 N ATOM 2468 CA ASN B 53 -11.252 16.973 2.421 1.00 0.85 C ATOM 2469 C ASN B 53 -11.345 17.385 0.956 1.00 1.00 C ATOM 2470 O ASN B 53 -10.867 18.448 0.563 1.00 1.22 O ATOM 2471 CB ASN B 53 -9.810 16.598 2.772 1.00 0.92 C ATOM 2472 CG ASN B 53 -8.843 17.770 2.695 1.00 1.40 C ATOM 2473 OD1 ASN B 53 -9.203 18.919 2.968 1.00 1.93 O ATOM 2474 ND2 ASN B 53 -7.603 17.486 2.327 1.00 2.05 N ATOM 0 H ASN B 53 -11.702 14.937 2.614 1.00 0.68 H new ATOM 0 HA ASN B 53 -11.558 17.817 3.040 1.00 0.85 H new ATOM 0 HB2 ASN B 53 -9.786 16.183 3.779 1.00 0.92 H new ATOM 0 HB3 ASN B 53 -9.472 15.813 2.095 1.00 0.92 H new ATOM 0 HD21 ASN B 53 -6.908 18.229 2.261 1.00 2.05 H new ATOM 0 HD22 ASN B 53 -7.343 16.524 2.109 1.00 2.05 H new ATOM 2481 N GLN B 54 -11.964 16.531 0.149 1.00 1.01 N ATOM 2482 CA GLN B 54 -12.140 16.818 -1.264 1.00 1.29 C ATOM 2483 C GLN B 54 -13.210 17.893 -1.450 1.00 1.33 C ATOM 2484 O GLN B 54 -12.884 19.075 -1.571 1.00 2.05 O ATOM 2485 CB GLN B 54 -12.504 15.541 -2.033 1.00 1.74 C ATOM 2486 CG GLN B 54 -12.550 15.726 -3.542 1.00 2.17 C ATOM 2487 CD GLN B 54 -11.226 16.193 -4.116 1.00 2.39 C ATOM 2488 OE1 GLN B 54 -10.158 15.881 -3.588 1.00 2.90 O ATOM 2489 NE2 GLN B 54 -11.285 16.950 -5.197 1.00 2.71 N ATOM 0 H GLN B 54 -12.351 15.637 0.451 1.00 1.01 H new ATOM 0 HA GLN B 54 -11.200 17.194 -1.667 1.00 1.29 H new ATOM 0 HB2 GLN B 54 -11.778 14.764 -1.793 1.00 1.74 H new ATOM 0 HB3 GLN B 54 -13.476 15.186 -1.690 1.00 1.74 H new ATOM 0 HG2 GLN B 54 -12.832 14.783 -4.011 1.00 2.17 H new ATOM 0 HG3 GLN B 54 -13.325 16.451 -3.791 1.00 2.17 H new ATOM 0 HE21 GLN B 54 -12.189 17.187 -5.605 1.00 2.71 H new ATOM 0 HE22 GLN B 54 -10.426 17.298 -5.624 1.00 2.71 H new ATOM 2498 N LYS B 55 -14.479 17.480 -1.445 1.00 1.43 N ATOM 2499 CA LYS B 55 -15.608 18.409 -1.545 1.00 1.87 C ATOM 2500 C LYS B 55 -16.932 17.652 -1.597 1.00 1.59 C ATOM 2501 O LYS B 55 -17.870 17.976 -0.871 1.00 2.27 O ATOM 2502 CB LYS B 55 -15.486 19.333 -2.772 1.00 2.84 C ATOM 2503 CG LYS B 55 -15.295 18.605 -4.095 1.00 3.60 C ATOM 2504 CD LYS B 55 -15.237 19.574 -5.266 1.00 4.28 C ATOM 2505 CE LYS B 55 -16.542 20.338 -5.435 1.00 5.02 C ATOM 2506 NZ LYS B 55 -16.503 21.249 -6.608 1.00 5.58 N ATOM 0 H LYS B 55 -14.753 16.500 -1.372 1.00 1.43 H new ATOM 0 HA LYS B 55 -15.587 19.031 -0.650 1.00 1.87 H new ATOM 0 HB2 LYS B 55 -16.383 19.949 -2.837 1.00 2.84 H new ATOM 0 HB3 LYS B 55 -14.645 20.009 -2.619 1.00 2.84 H new ATOM 0 HG2 LYS B 55 -14.375 18.021 -4.060 1.00 3.60 H new ATOM 0 HG3 LYS B 55 -16.114 17.901 -4.245 1.00 3.60 H new ATOM 0 HD2 LYS B 55 -14.420 20.280 -5.113 1.00 4.28 H new ATOM 0 HD3 LYS B 55 -15.017 19.025 -6.181 1.00 4.28 H new ATOM 0 HE2 LYS B 55 -17.364 19.631 -5.551 1.00 5.02 H new ATOM 0 HE3 LYS B 55 -16.744 20.916 -4.533 1.00 5.02 H new ATOM 0 HZ1 LYS B 55 -17.410 21.751 -6.688 1.00 5.58 H new ATOM 0 HZ2 LYS B 55 -15.735 21.940 -6.486 1.00 5.58 H new ATOM 0 HZ3 LYS B 55 -16.336 20.695 -7.472 1.00 5.58 H new ATOM 2520 N ASP B 56 -17.000 16.640 -2.449 1.00 1.36 N ATOM 2521 CA ASP B 56 -18.229 15.882 -2.641 1.00 1.50 C ATOM 2522 C ASP B 56 -17.903 14.414 -2.904 1.00 1.27 C ATOM 2523 O ASP B 56 -16.855 14.098 -3.464 1.00 1.44 O ATOM 2524 CB ASP B 56 -19.031 16.468 -3.813 1.00 2.13 C ATOM 2525 CG ASP B 56 -18.448 16.118 -5.169 1.00 2.84 C ATOM 2526 OD1 ASP B 56 -17.411 16.697 -5.550 1.00 3.39 O ATOM 2527 OD2 ASP B 56 -19.028 15.254 -5.862 1.00 3.44 O ATOM 0 H ASP B 56 -16.217 16.323 -3.020 1.00 1.36 H new ATOM 0 HA ASP B 56 -18.832 15.949 -1.736 1.00 1.50 H new ATOM 0 HB2 ASP B 56 -20.057 16.104 -3.761 1.00 2.13 H new ATOM 0 HB3 ASP B 56 -19.072 17.552 -3.711 1.00 2.13 H new ATOM 2532 N PRO B 57 -18.807 13.499 -2.497 1.00 1.06 N ATOM 2533 CA PRO B 57 -18.606 12.041 -2.613 1.00 1.02 C ATOM 2534 C PRO B 57 -18.525 11.553 -4.054 1.00 0.76 C ATOM 2535 O PRO B 57 -18.250 10.378 -4.301 1.00 0.70 O ATOM 2536 CB PRO B 57 -19.842 11.454 -1.928 1.00 1.20 C ATOM 2537 CG PRO B 57 -20.863 12.529 -2.025 1.00 1.20 C ATOM 2538 CD PRO B 57 -20.103 13.812 -1.872 1.00 1.14 C ATOM 0 HA PRO B 57 -17.658 11.739 -2.167 1.00 1.02 H new ATOM 0 HB2 PRO B 57 -20.176 10.543 -2.424 1.00 1.20 H new ATOM 0 HB3 PRO B 57 -19.635 11.195 -0.890 1.00 1.20 H new ATOM 0 HG2 PRO B 57 -21.383 12.492 -2.982 1.00 1.20 H new ATOM 0 HG3 PRO B 57 -21.619 12.425 -1.247 1.00 1.20 H new ATOM 0 HD2 PRO B 57 -20.604 14.641 -2.372 1.00 1.14 H new ATOM 0 HD3 PRO B 57 -19.990 14.093 -0.825 1.00 1.14 H new ATOM 2546 N GLY B 58 -18.755 12.455 -5.000 1.00 0.67 N ATOM 2547 CA GLY B 58 -18.607 12.115 -6.399 1.00 0.56 C ATOM 2548 C GLY B 58 -17.173 11.775 -6.735 1.00 0.49 C ATOM 2549 O GLY B 58 -16.891 11.168 -7.763 1.00 0.48 O ATOM 0 H GLY B 58 -19.042 13.417 -4.821 1.00 0.67 H new ATOM 0 HA2 GLY B 58 -19.249 11.268 -6.639 1.00 0.56 H new ATOM 0 HA3 GLY B 58 -18.938 12.951 -7.015 1.00 0.56 H new ATOM 2553 N VAL B 59 -16.263 12.169 -5.858 1.00 0.52 N ATOM 2554 CA VAL B 59 -14.863 11.827 -6.013 1.00 0.52 C ATOM 2555 C VAL B 59 -14.655 10.331 -5.886 1.00 0.49 C ATOM 2556 O VAL B 59 -13.880 9.748 -6.634 1.00 0.49 O ATOM 2557 CB VAL B 59 -13.976 12.550 -4.980 1.00 0.61 C ATOM 2558 CG1 VAL B 59 -14.449 12.264 -3.563 1.00 0.65 C ATOM 2559 CG2 VAL B 59 -12.522 12.138 -5.145 1.00 0.66 C ATOM 0 H VAL B 59 -16.472 12.727 -5.030 1.00 0.52 H new ATOM 0 HA VAL B 59 -14.569 12.154 -7.011 1.00 0.52 H new ATOM 0 HB VAL B 59 -14.057 13.623 -5.157 1.00 0.61 H new ATOM 0 HG11 VAL B 59 -13.807 12.785 -2.853 1.00 0.65 H new ATOM 0 HG12 VAL B 59 -15.476 12.610 -3.445 1.00 0.65 H new ATOM 0 HG13 VAL B 59 -14.403 11.192 -3.374 1.00 0.65 H new ATOM 0 HG21 VAL B 59 -11.911 12.658 -4.408 1.00 0.66 H new ATOM 0 HG22 VAL B 59 -12.430 11.062 -4.999 1.00 0.66 H new ATOM 0 HG23 VAL B 59 -12.182 12.398 -6.147 1.00 0.66 H new ATOM 2569 N LEU B 60 -15.374 9.710 -4.959 1.00 0.48 N ATOM 2570 CA LEU B 60 -15.252 8.275 -4.741 1.00 0.46 C ATOM 2571 C LEU B 60 -15.663 7.548 -6.007 1.00 0.43 C ATOM 2572 O LEU B 60 -15.211 6.442 -6.298 1.00 0.41 O ATOM 2573 CB LEU B 60 -16.138 7.809 -3.584 1.00 0.48 C ATOM 2574 CG LEU B 60 -16.124 8.704 -2.343 1.00 0.52 C ATOM 2575 CD1 LEU B 60 -16.938 8.077 -1.223 1.00 0.51 C ATOM 2576 CD2 LEU B 60 -14.701 8.965 -1.890 1.00 0.52 C ATOM 0 H LEU B 60 -16.045 10.176 -4.348 1.00 0.48 H new ATOM 0 HA LEU B 60 -14.216 8.052 -4.488 1.00 0.46 H new ATOM 0 HB2 LEU B 60 -17.164 7.731 -3.943 1.00 0.48 H new ATOM 0 HB3 LEU B 60 -15.826 6.806 -3.291 1.00 0.48 H new ATOM 0 HG LEU B 60 -16.580 9.659 -2.603 1.00 0.52 H new ATOM 0 HD11 LEU B 60 -16.916 8.728 -0.349 1.00 0.51 H new ATOM 0 HD12 LEU B 60 -17.969 7.946 -1.552 1.00 0.51 H new ATOM 0 HD13 LEU B 60 -16.513 7.107 -0.964 1.00 0.51 H new ATOM 0 HD21 LEU B 60 -14.712 9.603 -1.006 1.00 0.52 H new ATOM 0 HD22 LEU B 60 -14.217 8.019 -1.648 1.00 0.52 H new ATOM 0 HD23 LEU B 60 -14.150 9.461 -2.689 1.00 0.52 H new ATOM 2588 N ASP B 61 -16.518 8.219 -6.758 1.00 0.46 N ATOM 2589 CA ASP B 61 -17.003 7.716 -8.034 1.00 0.46 C ATOM 2590 C ASP B 61 -15.877 7.732 -9.049 1.00 0.47 C ATOM 2591 O ASP B 61 -15.713 6.808 -9.849 1.00 0.51 O ATOM 2592 CB ASP B 61 -18.165 8.578 -8.531 1.00 0.47 C ATOM 2593 CG ASP B 61 -18.821 8.025 -9.780 1.00 0.48 C ATOM 2594 OD1 ASP B 61 -19.710 7.159 -9.655 1.00 1.22 O ATOM 2595 OD2 ASP B 61 -18.457 8.457 -10.894 1.00 1.19 O ATOM 0 H ASP B 61 -16.897 9.130 -6.501 1.00 0.46 H new ATOM 0 HA ASP B 61 -17.355 6.693 -7.904 1.00 0.46 H new ATOM 0 HB2 ASP B 61 -18.912 8.661 -7.742 1.00 0.47 H new ATOM 0 HB3 ASP B 61 -17.802 9.586 -8.734 1.00 0.47 H new ATOM 2600 N ARG B 62 -15.091 8.790 -8.981 1.00 0.47 N ATOM 2601 CA ARG B 62 -13.958 8.976 -9.866 1.00 0.51 C ATOM 2602 C ARG B 62 -12.846 8.006 -9.498 1.00 0.50 C ATOM 2603 O ARG B 62 -12.182 7.446 -10.368 1.00 0.56 O ATOM 2604 CB ARG B 62 -13.462 10.416 -9.769 1.00 0.55 C ATOM 2605 CG ARG B 62 -14.580 11.439 -9.896 1.00 0.55 C ATOM 2606 CD ARG B 62 -14.056 12.859 -9.817 1.00 0.62 C ATOM 2607 NE ARG B 62 -13.019 13.118 -10.812 1.00 1.45 N ATOM 2608 CZ ARG B 62 -12.536 14.326 -11.094 1.00 1.97 C ATOM 2609 NH1 ARG B 62 -13.033 15.402 -10.498 1.00 1.66 N ATOM 2610 NH2 ARG B 62 -11.565 14.457 -11.985 1.00 3.02 N ATOM 0 H ARG B 62 -15.221 9.546 -8.309 1.00 0.47 H new ATOM 0 HA ARG B 62 -14.266 8.777 -10.893 1.00 0.51 H new ATOM 0 HB2 ARG B 62 -12.955 10.556 -8.814 1.00 0.55 H new ATOM 0 HB3 ARG B 62 -12.724 10.594 -10.551 1.00 0.55 H new ATOM 0 HG2 ARG B 62 -15.098 11.295 -10.844 1.00 0.55 H new ATOM 0 HG3 ARG B 62 -15.312 11.277 -9.105 1.00 0.55 H new ATOM 0 HD2 ARG B 62 -14.880 13.558 -9.962 1.00 0.62 H new ATOM 0 HD3 ARG B 62 -13.655 13.042 -8.820 1.00 0.62 H new ATOM 0 HE ARG B 62 -12.640 12.321 -11.324 1.00 1.45 H new ATOM 0 HH11 ARG B 62 -13.789 15.306 -9.820 1.00 1.66 H new ATOM 0 HH12 ARG B 62 -12.659 16.325 -10.718 1.00 1.66 H new ATOM 0 HH21 ARG B 62 -11.189 13.633 -12.454 1.00 3.02 H new ATOM 0 HH22 ARG B 62 -11.194 15.382 -12.202 1.00 3.02 H new ATOM 2624 N MET B 63 -12.663 7.808 -8.196 1.00 0.45 N ATOM 2625 CA MET B 63 -11.674 6.859 -7.696 1.00 0.44 C ATOM 2626 C MET B 63 -12.012 5.481 -8.214 1.00 0.41 C ATOM 2627 O MET B 63 -11.212 4.853 -8.902 1.00 0.42 O ATOM 2628 CB MET B 63 -11.657 6.801 -6.167 1.00 0.43 C ATOM 2629 CG MET B 63 -11.720 8.155 -5.477 1.00 0.49 C ATOM 2630 SD MET B 63 -10.227 9.141 -5.707 1.00 0.63 S ATOM 2631 CE MET B 63 -9.033 8.176 -4.787 1.00 1.54 C ATOM 0 H MET B 63 -13.187 8.293 -7.468 1.00 0.45 H new ATOM 0 HA MET B 63 -10.694 7.189 -8.041 1.00 0.44 H new ATOM 0 HB2 MET B 63 -12.500 6.198 -5.831 1.00 0.43 H new ATOM 0 HB3 MET B 63 -10.750 6.288 -5.847 1.00 0.43 H new ATOM 0 HG2 MET B 63 -12.577 8.710 -5.859 1.00 0.49 H new ATOM 0 HG3 MET B 63 -11.887 8.004 -4.410 1.00 0.49 H new ATOM 0 HE1 MET B 63 -8.328 8.845 -4.292 1.00 1.54 H new ATOM 0 HE2 MET B 63 -9.550 7.575 -4.038 1.00 1.54 H new ATOM 0 HE3 MET B 63 -8.493 7.520 -5.469 1.00 1.54 H new ATOM 2641 N MET B 64 -13.226 5.035 -7.886 1.00 0.41 N ATOM 2642 CA MET B 64 -13.713 3.724 -8.290 1.00 0.42 C ATOM 2643 C MET B 64 -13.440 3.460 -9.761 1.00 0.44 C ATOM 2644 O MET B 64 -12.750 2.519 -10.094 1.00 0.41 O ATOM 2645 CB MET B 64 -15.214 3.596 -8.010 1.00 0.55 C ATOM 2646 CG MET B 64 -15.853 2.353 -8.623 1.00 0.65 C ATOM 2647 SD MET B 64 -15.120 0.812 -8.047 1.00 1.87 S ATOM 2648 CE MET B 64 -15.560 0.837 -6.314 1.00 2.41 C ATOM 0 H MET B 64 -13.894 5.574 -7.335 1.00 0.41 H new ATOM 0 HA MET B 64 -13.175 2.980 -7.703 1.00 0.42 H new ATOM 0 HB2 MET B 64 -15.373 3.580 -6.932 1.00 0.55 H new ATOM 0 HB3 MET B 64 -15.722 4.481 -8.394 1.00 0.55 H new ATOM 0 HG2 MET B 64 -16.918 2.349 -8.390 1.00 0.65 H new ATOM 0 HG3 MET B 64 -15.764 2.406 -9.708 1.00 0.65 H new ATOM 0 HE1 MET B 64 -14.671 1.036 -5.716 1.00 2.41 H new ATOM 0 HE2 MET B 64 -16.299 1.619 -6.137 1.00 2.41 H new ATOM 0 HE3 MET B 64 -15.979 -0.129 -6.031 1.00 2.41 H new ATOM 2658 N LYS B 65 -13.934 4.323 -10.634 1.00 0.52 N ATOM 2659 CA LYS B 65 -13.854 4.060 -12.069 1.00 0.56 C ATOM 2660 C LYS B 65 -12.426 4.177 -12.600 1.00 0.54 C ATOM 2661 O LYS B 65 -12.102 3.616 -13.647 1.00 0.60 O ATOM 2662 CB LYS B 65 -14.801 4.971 -12.845 1.00 0.67 C ATOM 2663 CG LYS B 65 -16.270 4.728 -12.526 1.00 0.79 C ATOM 2664 CD LYS B 65 -16.652 3.254 -12.650 1.00 0.86 C ATOM 2665 CE LYS B 65 -16.423 2.714 -14.057 1.00 1.57 C ATOM 2666 NZ LYS B 65 -16.741 1.262 -14.156 1.00 2.49 N ATOM 0 H LYS B 65 -14.389 5.201 -10.383 1.00 0.52 H new ATOM 0 HA LYS B 65 -14.168 3.027 -12.222 1.00 0.56 H new ATOM 0 HB2 LYS B 65 -14.556 6.010 -12.625 1.00 0.67 H new ATOM 0 HB3 LYS B 65 -14.640 4.825 -13.913 1.00 0.67 H new ATOM 0 HG2 LYS B 65 -16.482 5.072 -11.514 1.00 0.79 H new ATOM 0 HG3 LYS B 65 -16.889 5.320 -13.200 1.00 0.79 H new ATOM 0 HD2 LYS B 65 -16.069 2.669 -11.939 1.00 0.86 H new ATOM 0 HD3 LYS B 65 -17.701 3.129 -12.381 1.00 0.86 H new ATOM 0 HE2 LYS B 65 -17.040 3.269 -14.763 1.00 1.57 H new ATOM 0 HE3 LYS B 65 -15.384 2.878 -14.344 1.00 1.57 H new ATOM 0 HZ1 LYS B 65 -16.621 0.947 -15.140 1.00 2.49 H new ATOM 0 HZ2 LYS B 65 -16.100 0.723 -13.539 1.00 2.49 H new ATOM 0 HZ3 LYS B 65 -17.725 1.101 -13.859 1.00 2.49 H new ATOM 2680 N LYS B 66 -11.577 4.906 -11.888 1.00 0.50 N ATOM 2681 CA LYS B 66 -10.165 4.988 -12.242 1.00 0.52 C ATOM 2682 C LYS B 66 -9.457 3.686 -11.887 1.00 0.48 C ATOM 2683 O LYS B 66 -8.619 3.185 -12.639 1.00 0.54 O ATOM 2684 CB LYS B 66 -9.492 6.143 -11.500 1.00 0.55 C ATOM 2685 CG LYS B 66 -7.994 6.228 -11.749 1.00 0.91 C ATOM 2686 CD LYS B 66 -7.361 7.405 -11.018 1.00 0.96 C ATOM 2687 CE LYS B 66 -7.565 7.319 -9.511 1.00 0.73 C ATOM 2688 NZ LYS B 66 -6.891 8.437 -8.799 1.00 1.47 N ATOM 0 H LYS B 66 -11.839 5.448 -11.064 1.00 0.50 H new ATOM 0 HA LYS B 66 -10.094 5.161 -13.316 1.00 0.52 H new ATOM 0 HB2 LYS B 66 -9.957 7.081 -11.804 1.00 0.55 H new ATOM 0 HB3 LYS B 66 -9.670 6.031 -10.430 1.00 0.55 H new ATOM 0 HG2 LYS B 66 -7.519 5.302 -11.425 1.00 0.91 H new ATOM 0 HG3 LYS B 66 -7.809 6.324 -12.819 1.00 0.91 H new ATOM 0 HD2 LYS B 66 -6.294 7.437 -11.238 1.00 0.96 H new ATOM 0 HD3 LYS B 66 -7.791 8.335 -11.389 1.00 0.96 H new ATOM 0 HE2 LYS B 66 -8.632 7.336 -9.287 1.00 0.73 H new ATOM 0 HE3 LYS B 66 -7.177 6.368 -9.145 1.00 0.73 H new ATOM 0 HZ1 LYS B 66 -7.052 8.344 -7.776 1.00 1.47 H new ATOM 0 HZ2 LYS B 66 -5.870 8.406 -8.993 1.00 1.47 H new ATOM 0 HZ3 LYS B 66 -7.279 9.343 -9.130 1.00 1.47 H new ATOM 2702 N LEU B 67 -9.814 3.150 -10.737 1.00 0.41 N ATOM 2703 CA LEU B 67 -9.151 1.982 -10.183 1.00 0.39 C ATOM 2704 C LEU B 67 -9.777 0.699 -10.696 1.00 0.40 C ATOM 2705 O LEU B 67 -9.098 -0.321 -10.800 1.00 0.46 O ATOM 2706 CB LEU B 67 -9.270 2.023 -8.677 1.00 0.34 C ATOM 2707 CG LEU B 67 -8.861 3.347 -8.034 1.00 0.33 C ATOM 2708 CD1 LEU B 67 -9.327 3.393 -6.595 1.00 0.30 C ATOM 2709 CD2 LEU B 67 -7.357 3.557 -8.125 1.00 0.37 C ATOM 0 H LEU B 67 -10.572 3.511 -10.158 1.00 0.41 H new ATOM 0 HA LEU B 67 -8.105 1.998 -10.489 1.00 0.39 H new ATOM 0 HB2 LEU B 67 -10.303 1.807 -8.403 1.00 0.34 H new ATOM 0 HB3 LEU B 67 -8.655 1.227 -8.257 1.00 0.34 H new ATOM 0 HG LEU B 67 -9.341 4.159 -8.581 1.00 0.33 H new ATOM 0 HD11 LEU B 67 -9.030 4.341 -6.147 1.00 0.30 H new ATOM 0 HD12 LEU B 67 -10.412 3.300 -6.561 1.00 0.30 H new ATOM 0 HD13 LEU B 67 -8.875 2.571 -6.040 1.00 0.30 H new ATOM 0 HD21 LEU B 67 -7.093 4.507 -7.660 1.00 0.37 H new ATOM 0 HD22 LEU B 67 -6.844 2.745 -7.609 1.00 0.37 H new ATOM 0 HD23 LEU B 67 -7.054 3.569 -9.172 1.00 0.37 H new ATOM 2721 N ASP B 68 -11.081 0.768 -10.971 1.00 0.39 N ATOM 2722 CA ASP B 68 -11.861 -0.348 -11.512 1.00 0.42 C ATOM 2723 C ASP B 68 -11.336 -0.720 -12.886 1.00 0.52 C ATOM 2724 O ASP B 68 -11.905 -0.396 -13.929 1.00 0.57 O ATOM 2725 CB ASP B 68 -13.344 0.040 -11.556 1.00 0.43 C ATOM 2726 CG ASP B 68 -14.230 -0.926 -12.329 1.00 0.46 C ATOM 2727 OD1 ASP B 68 -14.301 -2.121 -11.969 1.00 1.23 O ATOM 2728 OD2 ASP B 68 -14.890 -0.478 -13.297 1.00 1.13 O ATOM 0 H ASP B 68 -11.633 1.613 -10.822 1.00 0.39 H new ATOM 0 HA ASP B 68 -11.760 -1.223 -10.870 1.00 0.42 H new ATOM 0 HB2 ASP B 68 -13.716 0.116 -10.534 1.00 0.43 H new ATOM 0 HB3 ASP B 68 -13.434 1.031 -12.002 1.00 0.43 H new ATOM 2733 N THR B 69 -10.208 -1.370 -12.852 1.00 0.58 N ATOM 2734 CA THR B 69 -9.523 -1.812 -14.032 1.00 0.74 C ATOM 2735 C THR B 69 -10.111 -3.139 -14.486 1.00 0.83 C ATOM 2736 O THR B 69 -9.981 -3.541 -15.644 1.00 0.99 O ATOM 2737 CB THR B 69 -8.017 -1.933 -13.732 1.00 0.79 C ATOM 2738 OG1 THR B 69 -7.259 -1.924 -14.950 1.00 0.91 O ATOM 2739 CG2 THR B 69 -7.716 -3.207 -12.958 1.00 0.82 C ATOM 0 H THR B 69 -9.729 -1.612 -11.985 1.00 0.58 H new ATOM 0 HA THR B 69 -9.650 -1.090 -14.839 1.00 0.74 H new ATOM 0 HB THR B 69 -7.731 -1.076 -13.123 1.00 0.79 H new ATOM 0 HG1 THR B 69 -6.304 -2.000 -14.742 1.00 0.91 H new ATOM 0 HG21 THR B 69 -6.646 -3.268 -12.759 1.00 0.82 H new ATOM 0 HG22 THR B 69 -8.260 -3.196 -12.014 1.00 0.82 H new ATOM 0 HG23 THR B 69 -8.026 -4.071 -13.545 1.00 0.82 H new ATOM 2747 N ASN B 70 -10.793 -3.792 -13.557 1.00 0.80 N ATOM 2748 CA ASN B 70 -11.502 -5.027 -13.834 1.00 0.94 C ATOM 2749 C ASN B 70 -12.800 -4.716 -14.556 1.00 0.86 C ATOM 2750 O ASN B 70 -13.438 -5.584 -15.154 1.00 0.98 O ATOM 2751 CB ASN B 70 -11.796 -5.732 -12.518 1.00 1.00 C ATOM 2752 CG ASN B 70 -12.376 -7.121 -12.694 1.00 1.25 C ATOM 2753 OD1 ASN B 70 -12.059 -7.827 -13.650 1.00 1.46 O ATOM 2754 ND2 ASN B 70 -13.238 -7.516 -11.771 1.00 1.66 N ATOM 0 H ASN B 70 -10.869 -3.478 -12.589 1.00 0.80 H new ATOM 0 HA ASN B 70 -10.892 -5.673 -14.466 1.00 0.94 H new ATOM 0 HB2 ASN B 70 -10.875 -5.802 -11.939 1.00 1.00 H new ATOM 0 HB3 ASN B 70 -12.493 -5.127 -11.938 1.00 1.00 H new ATOM 0 HD21 ASN B 70 -13.668 -8.439 -11.836 1.00 1.66 H new ATOM 0 HD22 ASN B 70 -13.472 -6.898 -10.994 1.00 1.66 H new ATOM 2761 N SER B 71 -13.155 -3.437 -14.489 1.00 0.70 N ATOM 2762 CA SER B 71 -14.301 -2.881 -15.188 1.00 0.66 C ATOM 2763 C SER B 71 -15.591 -3.585 -14.797 1.00 0.61 C ATOM 2764 O SER B 71 -16.462 -3.836 -15.634 1.00 0.66 O ATOM 2765 CB SER B 71 -14.076 -2.945 -16.697 1.00 0.82 C ATOM 2766 OG SER B 71 -12.853 -2.315 -17.046 1.00 1.48 O ATOM 0 H SER B 71 -12.643 -2.748 -13.937 1.00 0.70 H new ATOM 0 HA SER B 71 -14.404 -1.837 -14.894 1.00 0.66 H new ATOM 0 HB2 SER B 71 -14.062 -3.985 -17.024 1.00 0.82 H new ATOM 0 HB3 SER B 71 -14.903 -2.459 -17.215 1.00 0.82 H new ATOM 0 HG SER B 71 -12.724 -2.367 -18.016 1.00 1.48 H new ATOM 2772 N ASP B 72 -15.710 -3.886 -13.516 1.00 0.58 N ATOM 2773 CA ASP B 72 -16.891 -4.552 -12.997 1.00 0.65 C ATOM 2774 C ASP B 72 -17.658 -3.603 -12.089 1.00 0.56 C ATOM 2775 O ASP B 72 -18.850 -3.785 -11.836 1.00 0.66 O ATOM 2776 CB ASP B 72 -16.499 -5.822 -12.232 1.00 0.80 C ATOM 2777 CG ASP B 72 -17.702 -6.607 -11.744 1.00 0.92 C ATOM 2778 OD1 ASP B 72 -18.269 -7.393 -12.535 1.00 1.56 O ATOM 2779 OD2 ASP B 72 -18.090 -6.445 -10.572 1.00 1.53 O ATOM 0 H ASP B 72 -15.000 -3.679 -12.814 1.00 0.58 H new ATOM 0 HA ASP B 72 -17.530 -4.840 -13.832 1.00 0.65 H new ATOM 0 HB2 ASP B 72 -15.893 -6.458 -12.878 1.00 0.80 H new ATOM 0 HB3 ASP B 72 -15.878 -5.550 -11.379 1.00 0.80 H new ATOM 2784 N GLY B 73 -16.977 -2.563 -11.637 1.00 0.45 N ATOM 2785 CA GLY B 73 -17.593 -1.611 -10.742 1.00 0.46 C ATOM 2786 C GLY B 73 -17.226 -1.896 -9.306 1.00 0.41 C ATOM 2787 O GLY B 73 -17.927 -1.487 -8.376 1.00 0.44 O ATOM 0 H GLY B 73 -16.006 -2.362 -11.875 1.00 0.45 H new ATOM 0 HA2 GLY B 73 -17.278 -0.602 -11.007 1.00 0.46 H new ATOM 0 HA3 GLY B 73 -18.676 -1.647 -10.857 1.00 0.46 H new ATOM 2791 N GLN B 74 -16.132 -2.622 -9.135 1.00 0.38 N ATOM 2792 CA GLN B 74 -15.621 -2.967 -7.825 1.00 0.37 C ATOM 2793 C GLN B 74 -14.112 -2.877 -7.860 1.00 0.36 C ATOM 2794 O GLN B 74 -13.514 -2.891 -8.932 1.00 0.39 O ATOM 2795 CB GLN B 74 -16.015 -4.388 -7.424 1.00 0.38 C ATOM 2796 CG GLN B 74 -17.494 -4.692 -7.561 1.00 0.41 C ATOM 2797 CD GLN B 74 -17.888 -6.001 -6.912 1.00 0.49 C ATOM 2798 OE1 GLN B 74 -17.114 -6.952 -6.874 1.00 1.02 O ATOM 2799 NE2 GLN B 74 -19.099 -6.056 -6.391 1.00 1.25 N ATOM 0 H GLN B 74 -15.574 -2.988 -9.906 1.00 0.38 H new ATOM 0 HA GLN B 74 -16.045 -2.275 -7.097 1.00 0.37 H new ATOM 0 HB2 GLN B 74 -15.454 -5.094 -8.036 1.00 0.38 H new ATOM 0 HB3 GLN B 74 -15.717 -4.556 -6.389 1.00 0.38 H new ATOM 0 HG2 GLN B 74 -18.069 -3.882 -7.113 1.00 0.41 H new ATOM 0 HG3 GLN B 74 -17.757 -4.723 -8.618 1.00 0.41 H new ATOM 0 HE21 GLN B 74 -19.714 -5.244 -6.443 1.00 1.25 H new ATOM 0 HE22 GLN B 74 -19.420 -6.911 -5.937 1.00 1.25 H new ATOM 2808 N LEU B 75 -13.502 -2.800 -6.697 1.00 0.33 N ATOM 2809 CA LEU B 75 -12.056 -2.742 -6.617 1.00 0.31 C ATOM 2810 C LEU B 75 -11.501 -3.981 -5.973 1.00 0.32 C ATOM 2811 O LEU B 75 -11.767 -4.267 -4.807 1.00 0.32 O ATOM 2812 CB LEU B 75 -11.596 -1.519 -5.845 1.00 0.31 C ATOM 2813 CG LEU B 75 -12.061 -0.198 -6.434 1.00 0.32 C ATOM 2814 CD1 LEU B 75 -11.454 0.958 -5.668 1.00 0.35 C ATOM 2815 CD2 LEU B 75 -11.699 -0.127 -7.909 1.00 0.35 C ATOM 0 H LEU B 75 -13.981 -2.776 -5.797 1.00 0.33 H new ATOM 0 HA LEU B 75 -11.680 -2.674 -7.638 1.00 0.31 H new ATOM 0 HB2 LEU B 75 -11.958 -1.594 -4.819 1.00 0.31 H new ATOM 0 HB3 LEU B 75 -10.507 -1.520 -5.800 1.00 0.31 H new ATOM 0 HG LEU B 75 -13.145 -0.130 -6.346 1.00 0.32 H new ATOM 0 HD11 LEU B 75 -11.795 1.899 -6.099 1.00 0.35 H new ATOM 0 HD12 LEU B 75 -11.763 0.905 -4.624 1.00 0.35 H new ATOM 0 HD13 LEU B 75 -10.367 0.904 -5.728 1.00 0.35 H new ATOM 0 HD21 LEU B 75 -12.037 0.824 -8.321 1.00 0.35 H new ATOM 0 HD22 LEU B 75 -10.618 -0.208 -8.023 1.00 0.35 H new ATOM 0 HD23 LEU B 75 -12.182 -0.946 -8.442 1.00 0.35 H new ATOM 2827 N ASP B 76 -10.748 -4.721 -6.747 1.00 0.35 N ATOM 2828 CA ASP B 76 -10.108 -5.918 -6.260 1.00 0.36 C ATOM 2829 C ASP B 76 -8.853 -5.579 -5.497 1.00 0.33 C ATOM 2830 O ASP B 76 -8.495 -4.414 -5.336 1.00 0.32 O ATOM 2831 CB ASP B 76 -9.820 -6.878 -7.421 1.00 0.44 C ATOM 2832 CG ASP B 76 -8.357 -6.933 -7.850 1.00 0.91 C ATOM 2833 OD1 ASP B 76 -7.780 -5.891 -8.227 1.00 1.44 O ATOM 2834 OD2 ASP B 76 -7.778 -8.041 -7.818 1.00 1.68 O ATOM 0 H ASP B 76 -10.562 -4.513 -7.728 1.00 0.35 H new ATOM 0 HA ASP B 76 -10.785 -6.421 -5.569 1.00 0.36 H new ATOM 0 HB2 ASP B 76 -10.139 -7.880 -7.135 1.00 0.44 H new ATOM 0 HB3 ASP B 76 -10.426 -6.583 -8.278 1.00 0.44 H new ATOM 2839 N PHE B 77 -8.232 -6.623 -5.010 1.00 0.40 N ATOM 2840 CA PHE B 77 -6.998 -6.564 -4.269 1.00 0.49 C ATOM 2841 C PHE B 77 -6.028 -5.515 -4.828 1.00 0.39 C ATOM 2842 O PHE B 77 -5.632 -4.595 -4.119 1.00 0.38 O ATOM 2843 CB PHE B 77 -6.397 -7.950 -4.355 1.00 0.72 C ATOM 2844 CG PHE B 77 -7.263 -9.009 -3.735 1.00 1.75 C ATOM 2845 CD1 PHE B 77 -7.278 -9.202 -2.368 1.00 2.56 C ATOM 2846 CD2 PHE B 77 -8.073 -9.804 -4.529 1.00 2.66 C ATOM 2847 CE1 PHE B 77 -8.084 -10.169 -1.800 1.00 3.67 C ATOM 2848 CE2 PHE B 77 -8.882 -10.770 -3.969 1.00 3.77 C ATOM 2849 CZ PHE B 77 -8.887 -10.954 -2.603 1.00 4.14 C ATOM 0 H PHE B 77 -8.585 -7.573 -5.123 1.00 0.40 H new ATOM 0 HA PHE B 77 -7.188 -6.263 -3.239 1.00 0.49 H new ATOM 0 HB2 PHE B 77 -6.222 -8.199 -5.402 1.00 0.72 H new ATOM 0 HB3 PHE B 77 -5.425 -7.949 -3.861 1.00 0.72 H new ATOM 0 HD1 PHE B 77 -6.652 -8.590 -1.736 1.00 2.56 H new ATOM 0 HD2 PHE B 77 -8.071 -9.666 -5.600 1.00 2.66 H new ATOM 0 HE1 PHE B 77 -8.086 -10.311 -0.729 1.00 3.67 H new ATOM 0 HE2 PHE B 77 -9.511 -11.381 -4.600 1.00 3.77 H new ATOM 0 HZ PHE B 77 -9.518 -11.711 -2.162 1.00 4.14 H new ATOM 2859 N SER B 78 -5.681 -5.642 -6.101 1.00 0.38 N ATOM 2860 CA SER B 78 -4.741 -4.730 -6.740 1.00 0.38 C ATOM 2861 C SER B 78 -5.369 -3.368 -7.050 1.00 0.38 C ATOM 2862 O SER B 78 -4.683 -2.351 -7.022 1.00 0.44 O ATOM 2863 CB SER B 78 -4.183 -5.362 -8.018 1.00 0.44 C ATOM 2864 OG SER B 78 -5.198 -6.017 -8.767 1.00 1.32 O ATOM 0 H SER B 78 -6.039 -6.373 -6.716 1.00 0.38 H new ATOM 0 HA SER B 78 -3.928 -4.554 -6.035 1.00 0.38 H new ATOM 0 HB2 SER B 78 -3.718 -4.591 -8.632 1.00 0.44 H new ATOM 0 HB3 SER B 78 -3.402 -6.078 -7.759 1.00 0.44 H new ATOM 0 HG SER B 78 -6.059 -5.578 -8.605 1.00 1.32 H new ATOM 2870 N GLU B 79 -6.666 -3.341 -7.332 1.00 0.36 N ATOM 2871 CA GLU B 79 -7.345 -2.093 -7.663 1.00 0.42 C ATOM 2872 C GLU B 79 -7.452 -1.205 -6.429 1.00 0.33 C ATOM 2873 O GLU B 79 -7.295 0.014 -6.507 1.00 0.33 O ATOM 2874 CB GLU B 79 -8.720 -2.398 -8.247 1.00 0.51 C ATOM 2875 CG GLU B 79 -8.637 -3.243 -9.504 1.00 0.64 C ATOM 2876 CD GLU B 79 -9.982 -3.733 -9.993 1.00 1.81 C ATOM 2877 OE1 GLU B 79 -10.493 -4.721 -9.437 1.00 2.54 O ATOM 2878 OE2 GLU B 79 -10.510 -3.157 -10.955 1.00 2.57 O ATOM 0 H GLU B 79 -7.267 -4.165 -7.338 1.00 0.36 H new ATOM 0 HA GLU B 79 -6.765 -1.552 -8.411 1.00 0.42 H new ATOM 0 HB2 GLU B 79 -9.322 -2.918 -7.502 1.00 0.51 H new ATOM 0 HB3 GLU B 79 -9.232 -1.463 -8.474 1.00 0.51 H new ATOM 0 HG2 GLU B 79 -8.163 -2.660 -10.293 1.00 0.64 H new ATOM 0 HG3 GLU B 79 -7.994 -4.102 -9.313 1.00 0.64 H new ATOM 2885 N PHE B 80 -7.689 -1.835 -5.291 1.00 0.28 N ATOM 2886 CA PHE B 80 -7.692 -1.148 -4.009 1.00 0.25 C ATOM 2887 C PHE B 80 -6.290 -0.660 -3.674 1.00 0.23 C ATOM 2888 O PHE B 80 -6.108 0.384 -3.057 1.00 0.26 O ATOM 2889 CB PHE B 80 -8.179 -2.096 -2.917 1.00 0.31 C ATOM 2890 CG PHE B 80 -8.052 -1.537 -1.533 1.00 0.71 C ATOM 2891 CD1 PHE B 80 -8.910 -0.548 -1.092 1.00 1.26 C ATOM 2892 CD2 PHE B 80 -7.068 -2.002 -0.675 1.00 1.60 C ATOM 2893 CE1 PHE B 80 -8.790 -0.031 0.179 1.00 1.56 C ATOM 2894 CE2 PHE B 80 -6.944 -1.488 0.598 1.00 1.98 C ATOM 2895 CZ PHE B 80 -7.806 -0.501 1.025 1.00 1.64 C ATOM 0 H PHE B 80 -7.884 -2.834 -5.229 1.00 0.28 H new ATOM 0 HA PHE B 80 -8.362 -0.291 -4.069 1.00 0.25 H new ATOM 0 HB2 PHE B 80 -9.223 -2.345 -3.104 1.00 0.31 H new ATOM 0 HB3 PHE B 80 -7.614 -3.026 -2.977 1.00 0.31 H new ATOM 0 HD1 PHE B 80 -9.682 -0.177 -1.750 1.00 1.26 H new ATOM 0 HD2 PHE B 80 -6.391 -2.775 -1.007 1.00 1.60 H new ATOM 0 HE1 PHE B 80 -9.466 0.742 0.514 1.00 1.56 H new ATOM 0 HE2 PHE B 80 -6.174 -1.858 1.259 1.00 1.98 H new ATOM 0 HZ PHE B 80 -7.711 -0.095 2.021 1.00 1.64 H new ATOM 2905 N LEU B 81 -5.299 -1.424 -4.087 1.00 0.25 N ATOM 2906 CA LEU B 81 -3.918 -1.075 -3.816 1.00 0.26 C ATOM 2907 C LEU B 81 -3.431 -0.005 -4.769 1.00 0.26 C ATOM 2908 O LEU B 81 -2.557 0.786 -4.428 1.00 0.27 O ATOM 2909 CB LEU B 81 -3.045 -2.309 -3.898 1.00 0.29 C ATOM 2910 CG LEU B 81 -3.321 -3.346 -2.810 1.00 0.28 C ATOM 2911 CD1 LEU B 81 -2.432 -4.554 -3.004 1.00 0.33 C ATOM 2912 CD2 LEU B 81 -3.147 -2.741 -1.409 1.00 0.29 C ATOM 0 H LEU B 81 -5.423 -2.290 -4.611 1.00 0.25 H new ATOM 0 HA LEU B 81 -3.855 -0.670 -2.806 1.00 0.26 H new ATOM 0 HB2 LEU B 81 -3.186 -2.776 -4.873 1.00 0.29 H new ATOM 0 HB3 LEU B 81 -2.000 -2.005 -3.838 1.00 0.29 H new ATOM 0 HG LEU B 81 -4.359 -3.668 -2.895 1.00 0.28 H new ATOM 0 HD11 LEU B 81 -2.637 -5.286 -2.223 1.00 0.33 H new ATOM 0 HD12 LEU B 81 -2.630 -4.999 -3.979 1.00 0.33 H new ATOM 0 HD13 LEU B 81 -1.387 -4.249 -2.950 1.00 0.33 H new ATOM 0 HD21 LEU B 81 -3.350 -3.503 -0.656 1.00 0.29 H new ATOM 0 HD22 LEU B 81 -2.125 -2.379 -1.293 1.00 0.29 H new ATOM 0 HD23 LEU B 81 -3.842 -1.911 -1.282 1.00 0.29 H new ATOM 2924 N ASN B 82 -3.998 0.016 -5.963 1.00 0.26 N ATOM 2925 CA ASN B 82 -3.771 1.111 -6.882 1.00 0.26 C ATOM 2926 C ASN B 82 -4.211 2.401 -6.222 1.00 0.23 C ATOM 2927 O ASN B 82 -3.533 3.429 -6.288 1.00 0.24 O ATOM 2928 CB ASN B 82 -4.569 0.909 -8.170 1.00 0.30 C ATOM 2929 CG ASN B 82 -3.880 0.001 -9.167 1.00 0.78 C ATOM 2930 OD1 ASN B 82 -2.654 -0.082 -9.205 1.00 1.50 O ATOM 2931 ND2 ASN B 82 -4.664 -0.678 -9.992 1.00 1.42 N ATOM 0 H ASN B 82 -4.618 -0.713 -6.316 1.00 0.26 H new ATOM 0 HA ASN B 82 -2.711 1.151 -7.132 1.00 0.26 H new ATOM 0 HB2 ASN B 82 -5.545 0.491 -7.923 1.00 0.30 H new ATOM 0 HB3 ASN B 82 -4.746 1.879 -8.635 1.00 0.30 H new ATOM 0 HD21 ASN B 82 -4.254 -1.297 -10.691 1.00 1.42 H new ATOM 0 HD22 ASN B 82 -5.677 -0.581 -9.928 1.00 1.42 H new ATOM 2938 N LEU B 83 -5.370 2.316 -5.591 1.00 0.23 N ATOM 2939 CA LEU B 83 -5.900 3.381 -4.767 1.00 0.24 C ATOM 2940 C LEU B 83 -4.908 3.784 -3.694 1.00 0.23 C ATOM 2941 O LEU B 83 -4.543 4.952 -3.573 1.00 0.25 O ATOM 2942 CB LEU B 83 -7.169 2.899 -4.095 1.00 0.27 C ATOM 2943 CG LEU B 83 -7.558 3.689 -2.859 1.00 0.31 C ATOM 2944 CD1 LEU B 83 -8.084 5.061 -3.248 1.00 0.35 C ATOM 2945 CD2 LEU B 83 -8.563 2.920 -2.024 1.00 0.36 C ATOM 0 H LEU B 83 -5.974 1.495 -5.639 1.00 0.23 H new ATOM 0 HA LEU B 83 -6.100 4.243 -5.403 1.00 0.24 H new ATOM 0 HB2 LEU B 83 -7.987 2.945 -4.814 1.00 0.27 H new ATOM 0 HB3 LEU B 83 -7.045 1.852 -3.819 1.00 0.27 H new ATOM 0 HG LEU B 83 -6.669 3.837 -2.245 1.00 0.31 H new ATOM 0 HD11 LEU B 83 -8.358 5.614 -2.349 1.00 0.35 H new ATOM 0 HD12 LEU B 83 -7.311 5.607 -3.788 1.00 0.35 H new ATOM 0 HD13 LEU B 83 -8.961 4.947 -3.886 1.00 0.35 H new ATOM 0 HD21 LEU B 83 -8.828 3.505 -1.143 1.00 0.36 H new ATOM 0 HD22 LEU B 83 -9.458 2.730 -2.616 1.00 0.36 H new ATOM 0 HD23 LEU B 83 -8.127 1.971 -1.712 1.00 0.36 H new ATOM 2957 N ILE B 84 -4.500 2.797 -2.908 1.00 0.24 N ATOM 2958 CA ILE B 84 -3.542 2.995 -1.837 1.00 0.26 C ATOM 2959 C ILE B 84 -2.282 3.678 -2.365 1.00 0.27 C ATOM 2960 O ILE B 84 -1.666 4.484 -1.673 1.00 0.29 O ATOM 2961 CB ILE B 84 -3.193 1.646 -1.175 1.00 0.29 C ATOM 2962 CG1 ILE B 84 -4.417 1.069 -0.457 1.00 0.55 C ATOM 2963 CG2 ILE B 84 -2.018 1.784 -0.210 1.00 0.47 C ATOM 2964 CD1 ILE B 84 -4.983 1.972 0.617 1.00 0.62 C ATOM 0 H ILE B 84 -4.827 1.835 -2.998 1.00 0.24 H new ATOM 0 HA ILE B 84 -3.991 3.643 -1.084 1.00 0.26 H new ATOM 0 HB ILE B 84 -2.893 0.956 -1.963 1.00 0.29 H new ATOM 0 HG12 ILE B 84 -5.195 0.865 -1.193 1.00 0.55 H new ATOM 0 HG13 ILE B 84 -4.145 0.114 -0.008 1.00 0.55 H new ATOM 0 HG21 ILE B 84 -1.799 0.815 0.238 1.00 0.47 H new ATOM 0 HG22 ILE B 84 -1.142 2.139 -0.752 1.00 0.47 H new ATOM 0 HG23 ILE B 84 -2.273 2.497 0.574 1.00 0.47 H new ATOM 0 HD11 ILE B 84 -5.847 1.492 1.078 1.00 0.62 H new ATOM 0 HD12 ILE B 84 -4.222 2.156 1.376 1.00 0.62 H new ATOM 0 HD13 ILE B 84 -5.288 2.919 0.172 1.00 0.62 H new ATOM 2976 N GLY B 85 -1.931 3.372 -3.609 1.00 0.26 N ATOM 2977 CA GLY B 85 -0.825 4.035 -4.258 1.00 0.29 C ATOM 2978 C GLY B 85 -1.057 5.526 -4.391 1.00 0.28 C ATOM 2979 O GLY B 85 -0.192 6.322 -4.043 1.00 0.32 O ATOM 0 H GLY B 85 -2.400 2.669 -4.181 1.00 0.26 H new ATOM 0 HA2 GLY B 85 0.088 3.859 -3.689 1.00 0.29 H new ATOM 0 HA3 GLY B 85 -0.672 3.602 -5.247 1.00 0.29 H new ATOM 2983 N GLY B 86 -2.248 5.907 -4.847 1.00 0.27 N ATOM 2984 CA GLY B 86 -2.542 7.311 -5.058 1.00 0.30 C ATOM 2985 C GLY B 86 -2.730 8.035 -3.747 1.00 0.29 C ATOM 2986 O GLY B 86 -2.353 9.198 -3.600 1.00 0.34 O ATOM 0 H GLY B 86 -3.011 5.269 -5.073 1.00 0.27 H new ATOM 0 HA2 GLY B 86 -1.730 7.774 -5.619 1.00 0.30 H new ATOM 0 HA3 GLY B 86 -3.444 7.409 -5.663 1.00 0.30 H new ATOM 2990 N LEU B 87 -3.303 7.324 -2.793 1.00 0.25 N ATOM 2991 CA LEU B 87 -3.489 7.830 -1.444 1.00 0.25 C ATOM 2992 C LEU B 87 -2.145 8.100 -0.798 1.00 0.26 C ATOM 2993 O LEU B 87 -1.883 9.193 -0.294 1.00 0.29 O ATOM 2994 CB LEU B 87 -4.236 6.801 -0.609 1.00 0.25 C ATOM 2995 CG LEU B 87 -5.737 6.705 -0.843 1.00 0.26 C ATOM 2996 CD1 LEU B 87 -6.272 5.450 -0.183 1.00 0.26 C ATOM 2997 CD2 LEU B 87 -6.446 7.930 -0.286 1.00 0.35 C ATOM 0 H LEU B 87 -3.654 6.376 -2.932 1.00 0.25 H new ATOM 0 HA LEU B 87 -4.062 8.756 -1.495 1.00 0.25 H new ATOM 0 HB2 LEU B 87 -3.797 5.822 -0.799 1.00 0.25 H new ATOM 0 HB3 LEU B 87 -4.067 7.027 0.444 1.00 0.25 H new ATOM 0 HG LEU B 87 -5.924 6.660 -1.916 1.00 0.26 H new ATOM 0 HD11 LEU B 87 -7.347 5.381 -0.350 1.00 0.26 H new ATOM 0 HD12 LEU B 87 -5.781 4.576 -0.611 1.00 0.26 H new ATOM 0 HD13 LEU B 87 -6.073 5.489 0.888 1.00 0.26 H new ATOM 0 HD21 LEU B 87 -7.518 7.842 -0.463 1.00 0.35 H new ATOM 0 HD22 LEU B 87 -6.260 8.002 0.786 1.00 0.35 H new ATOM 0 HD23 LEU B 87 -6.069 8.825 -0.781 1.00 0.35 H new ATOM 3009 N ALA B 88 -1.289 7.089 -0.828 1.00 0.25 N ATOM 3010 CA ALA B 88 0.033 7.187 -0.246 1.00 0.27 C ATOM 3011 C ALA B 88 0.824 8.281 -0.899 1.00 0.29 C ATOM 3012 O ALA B 88 1.566 8.992 -0.241 1.00 0.35 O ATOM 3013 CB ALA B 88 0.789 5.887 -0.384 1.00 0.26 C ATOM 0 H ALA B 88 -1.493 6.185 -1.254 1.00 0.25 H new ATOM 0 HA ALA B 88 -0.098 7.414 0.812 1.00 0.27 H new ATOM 0 HB1 ALA B 88 1.778 5.992 0.062 1.00 0.26 H new ATOM 0 HB2 ALA B 88 0.243 5.093 0.126 1.00 0.26 H new ATOM 0 HB3 ALA B 88 0.892 5.636 -1.440 1.00 0.26 H new ATOM 3019 N MET B 89 0.671 8.400 -2.201 1.00 0.29 N ATOM 3020 CA MET B 89 1.385 9.405 -2.949 1.00 0.32 C ATOM 3021 C MET B 89 0.894 10.797 -2.592 1.00 0.34 C ATOM 3022 O MET B 89 1.656 11.757 -2.628 1.00 0.39 O ATOM 3023 CB MET B 89 1.255 9.148 -4.443 1.00 0.34 C ATOM 3024 CG MET B 89 2.100 7.979 -4.905 1.00 0.42 C ATOM 3025 SD MET B 89 2.289 7.924 -6.697 1.00 1.03 S ATOM 3026 CE MET B 89 0.593 7.665 -7.211 1.00 1.89 C ATOM 0 H MET B 89 0.056 7.810 -2.762 1.00 0.29 H new ATOM 0 HA MET B 89 2.440 9.346 -2.683 1.00 0.32 H new ATOM 0 HB2 MET B 89 0.210 8.955 -4.686 1.00 0.34 H new ATOM 0 HB3 MET B 89 1.550 10.044 -4.990 1.00 0.34 H new ATOM 0 HG2 MET B 89 3.085 8.042 -4.441 1.00 0.42 H new ATOM 0 HG3 MET B 89 1.645 7.049 -4.563 1.00 0.42 H new ATOM 0 HE1 MET B 89 0.564 7.468 -8.283 1.00 1.89 H new ATOM 0 HE2 MET B 89 0.176 6.813 -6.674 1.00 1.89 H new ATOM 0 HE3 MET B 89 0.006 8.556 -6.990 1.00 1.89 H new ATOM 3036 N ALA B 90 -0.372 10.894 -2.218 1.00 0.34 N ATOM 3037 CA ALA B 90 -0.946 12.160 -1.800 1.00 0.39 C ATOM 3038 C ALA B 90 -0.404 12.568 -0.435 1.00 0.42 C ATOM 3039 O ALA B 90 -0.043 13.727 -0.220 1.00 0.49 O ATOM 3040 CB ALA B 90 -2.464 12.070 -1.770 1.00 0.46 C ATOM 0 H ALA B 90 -1.022 10.108 -2.196 1.00 0.34 H new ATOM 0 HA ALA B 90 -0.661 12.925 -2.523 1.00 0.39 H new ATOM 0 HB1 ALA B 90 -2.879 13.027 -1.455 1.00 0.46 H new ATOM 0 HB2 ALA B 90 -2.834 11.824 -2.766 1.00 0.46 H new ATOM 0 HB3 ALA B 90 -2.769 11.294 -1.068 1.00 0.46 H new ATOM 3046 N CYS B 91 -0.333 11.605 0.479 1.00 0.41 N ATOM 3047 CA CYS B 91 0.188 11.854 1.819 1.00 0.47 C ATOM 3048 C CYS B 91 1.703 12.043 1.767 1.00 0.44 C ATOM 3049 O CYS B 91 2.265 12.852 2.503 1.00 0.51 O ATOM 3050 CB CYS B 91 -0.184 10.704 2.764 1.00 0.55 C ATOM 3051 SG CYS B 91 0.059 11.075 4.517 1.00 1.76 S ATOM 0 H CYS B 91 -0.630 10.643 0.316 1.00 0.41 H new ATOM 0 HA CYS B 91 -0.262 12.768 2.205 1.00 0.47 H new ATOM 0 HB2 CYS B 91 -1.229 10.439 2.602 1.00 0.55 H new ATOM 0 HB3 CYS B 91 0.411 9.828 2.504 1.00 0.55 H new ATOM 0 HG CYS B 91 -0.652 10.258 5.236 1.00 1.76 H new ATOM 3057 N HIS B 92 2.360 11.297 0.883 1.00 0.41 N ATOM 3058 CA HIS B 92 3.784 11.484 0.634 1.00 0.46 C ATOM 3059 C HIS B 92 4.023 12.892 0.134 1.00 0.45 C ATOM 3060 O HIS B 92 4.847 13.614 0.671 1.00 0.49 O ATOM 3061 CB HIS B 92 4.315 10.493 -0.406 1.00 0.54 C ATOM 3062 CG HIS B 92 4.856 9.212 0.153 1.00 1.21 C ATOM 3063 ND1 HIS B 92 6.063 9.131 0.817 1.00 2.12 N ATOM 3064 CD2 HIS B 92 4.379 7.946 0.095 1.00 1.96 C ATOM 3065 CE1 HIS B 92 6.308 7.875 1.132 1.00 2.74 C ATOM 3066 NE2 HIS B 92 5.301 7.134 0.708 1.00 2.62 N ATOM 0 H HIS B 92 1.928 10.558 0.328 1.00 0.41 H new ATOM 0 HA HIS B 92 4.312 11.311 1.572 1.00 0.46 H new ATOM 0 HB2 HIS B 92 3.511 10.256 -1.103 1.00 0.54 H new ATOM 0 HB3 HIS B 92 5.102 10.981 -0.981 1.00 0.54 H new ATOM 0 HD1 HIS B 92 6.672 9.921 1.031 1.00 2.12 H new ATOM 0 HD2 HIS B 92 3.446 7.633 -0.351 1.00 1.96 H new ATOM 0 HE1 HIS B 92 7.184 7.513 1.649 1.00 2.74 H new ATOM 3075 N ASP B 93 3.269 13.272 -0.890 1.00 0.45 N ATOM 3076 CA ASP B 93 3.346 14.610 -1.463 1.00 0.52 C ATOM 3077 C ASP B 93 3.106 15.671 -0.396 1.00 0.56 C ATOM 3078 O ASP B 93 3.730 16.727 -0.409 1.00 0.65 O ATOM 3079 CB ASP B 93 2.320 14.742 -2.585 1.00 0.54 C ATOM 3080 CG ASP B 93 2.349 16.098 -3.259 1.00 0.92 C ATOM 3081 OD1 ASP B 93 3.235 16.325 -4.111 1.00 1.48 O ATOM 3082 OD2 ASP B 93 1.473 16.936 -2.955 1.00 1.74 O ATOM 0 H ASP B 93 2.589 12.663 -1.346 1.00 0.45 H new ATOM 0 HA ASP B 93 4.346 14.763 -1.869 1.00 0.52 H new ATOM 0 HB2 ASP B 93 2.504 13.968 -3.330 1.00 0.54 H new ATOM 0 HB3 ASP B 93 1.323 14.565 -2.181 1.00 0.54 H new ATOM 3087 N SER B 94 2.217 15.368 0.538 1.00 0.54 N ATOM 3088 CA SER B 94 1.959 16.247 1.667 1.00 0.60 C ATOM 3089 C SER B 94 3.240 16.456 2.462 1.00 0.63 C ATOM 3090 O SER B 94 3.607 17.581 2.793 1.00 0.70 O ATOM 3091 CB SER B 94 0.887 15.640 2.570 1.00 0.65 C ATOM 3092 OG SER B 94 -0.325 15.426 1.862 1.00 1.26 O ATOM 0 H SER B 94 1.659 14.514 0.535 1.00 0.54 H new ATOM 0 HA SER B 94 1.606 17.208 1.292 1.00 0.60 H new ATOM 0 HB2 SER B 94 1.245 14.694 2.977 1.00 0.65 H new ATOM 0 HB3 SER B 94 0.704 16.302 3.416 1.00 0.65 H new ATOM 0 HG SER B 94 -0.150 14.871 1.074 1.00 1.26 H new ATOM 3098 N PHE B 95 3.929 15.356 2.731 1.00 0.60 N ATOM 3099 CA PHE B 95 5.190 15.383 3.454 1.00 0.67 C ATOM 3100 C PHE B 95 6.269 16.076 2.641 1.00 0.73 C ATOM 3101 O PHE B 95 7.073 16.819 3.174 1.00 0.84 O ATOM 3102 CB PHE B 95 5.630 13.964 3.797 1.00 0.64 C ATOM 3103 CG PHE B 95 5.094 13.474 5.110 1.00 0.78 C ATOM 3104 CD1 PHE B 95 3.797 12.999 5.215 1.00 1.80 C ATOM 3105 CD2 PHE B 95 5.888 13.497 6.245 1.00 1.29 C ATOM 3106 CE1 PHE B 95 3.303 12.558 6.427 1.00 2.35 C ATOM 3107 CE2 PHE B 95 5.398 13.060 7.459 1.00 1.76 C ATOM 3108 CZ PHE B 95 4.105 12.589 7.550 1.00 2.07 C ATOM 0 H PHE B 95 3.629 14.421 2.454 1.00 0.60 H new ATOM 0 HA PHE B 95 5.040 15.945 4.376 1.00 0.67 H new ATOM 0 HB2 PHE B 95 5.304 13.289 3.005 1.00 0.64 H new ATOM 0 HB3 PHE B 95 6.719 13.925 3.820 1.00 0.64 H new ATOM 0 HD1 PHE B 95 3.165 12.973 4.339 1.00 1.80 H new ATOM 0 HD2 PHE B 95 6.903 13.861 6.179 1.00 1.29 H new ATOM 0 HE1 PHE B 95 2.290 12.189 6.496 1.00 2.35 H new ATOM 0 HE2 PHE B 95 6.027 13.087 8.337 1.00 1.76 H new ATOM 0 HZ PHE B 95 3.720 12.245 8.499 1.00 2.07 H new ATOM 3118 N LEU B 96 6.274 15.840 1.349 1.00 0.69 N ATOM 3119 CA LEU B 96 7.255 16.451 0.468 1.00 0.81 C ATOM 3120 C LEU B 96 7.037 17.952 0.399 1.00 0.91 C ATOM 3121 O LEU B 96 7.968 18.721 0.179 1.00 1.09 O ATOM 3122 CB LEU B 96 7.179 15.828 -0.925 1.00 0.83 C ATOM 3123 CG LEU B 96 8.033 14.574 -1.132 1.00 0.87 C ATOM 3124 CD1 LEU B 96 9.508 14.928 -1.135 1.00 1.22 C ATOM 3125 CD2 LEU B 96 7.737 13.528 -0.070 1.00 1.08 C ATOM 0 H LEU B 96 5.608 15.227 0.879 1.00 0.69 H new ATOM 0 HA LEU B 96 8.251 16.267 0.871 1.00 0.81 H new ATOM 0 HB2 LEU B 96 6.139 15.578 -1.136 1.00 0.83 H new ATOM 0 HB3 LEU B 96 7.481 16.577 -1.656 1.00 0.83 H new ATOM 0 HG LEU B 96 7.776 14.149 -2.103 1.00 0.87 H new ATOM 0 HD11 LEU B 96 10.099 14.024 -1.283 1.00 1.22 H new ATOM 0 HD12 LEU B 96 9.712 15.631 -1.942 1.00 1.22 H new ATOM 0 HD13 LEU B 96 9.775 15.383 -0.181 1.00 1.22 H new ATOM 0 HD21 LEU B 96 8.358 12.649 -0.242 1.00 1.08 H new ATOM 0 HD22 LEU B 96 7.955 13.939 0.916 1.00 1.08 H new ATOM 0 HD23 LEU B 96 6.686 13.245 -0.121 1.00 1.08 H new ATOM 3137 N LYS B 97 5.796 18.356 0.601 1.00 0.83 N ATOM 3138 CA LYS B 97 5.434 19.763 0.634 1.00 0.94 C ATOM 3139 C LYS B 97 5.435 20.281 2.074 1.00 0.98 C ATOM 3140 O LYS B 97 4.957 21.380 2.348 1.00 1.14 O ATOM 3141 CB LYS B 97 4.047 19.964 0.000 1.00 0.94 C ATOM 3142 CG LYS B 97 4.027 20.130 -1.526 1.00 0.99 C ATOM 3143 CD LYS B 97 4.636 18.955 -2.285 1.00 1.25 C ATOM 3144 CE LYS B 97 6.127 19.136 -2.538 1.00 2.06 C ATOM 3145 NZ LYS B 97 6.425 20.349 -3.347 1.00 2.65 N ATOM 0 H LYS B 97 5.012 17.720 0.747 1.00 0.83 H new ATOM 0 HA LYS B 97 6.171 20.327 0.062 1.00 0.94 H new ATOM 0 HB2 LYS B 97 3.422 19.110 0.262 1.00 0.94 H new ATOM 0 HB3 LYS B 97 3.588 20.845 0.448 1.00 0.94 H new ATOM 0 HG2 LYS B 97 2.996 20.266 -1.853 1.00 0.99 H new ATOM 0 HG3 LYS B 97 4.567 21.039 -1.790 1.00 0.99 H new ATOM 0 HD2 LYS B 97 4.475 18.038 -1.718 1.00 1.25 H new ATOM 0 HD3 LYS B 97 4.121 18.835 -3.238 1.00 1.25 H new ATOM 0 HE2 LYS B 97 6.649 19.203 -1.583 1.00 2.06 H new ATOM 0 HE3 LYS B 97 6.514 18.256 -3.052 1.00 2.06 H new ATOM 0 HZ1 LYS B 97 7.322 20.215 -3.856 1.00 2.65 H new ATOM 0 HZ2 LYS B 97 5.659 20.506 -4.032 1.00 2.65 H new ATOM 0 HZ3 LYS B 97 6.503 21.174 -2.719 1.00 2.65 H new ATOM 3159 N ALA B 98 5.973 19.483 2.992 1.00 0.99 N ATOM 3160 CA ALA B 98 5.998 19.850 4.403 1.00 1.07 C ATOM 3161 C ALA B 98 7.355 19.538 5.033 1.00 1.10 C ATOM 3162 O ALA B 98 8.157 20.436 5.294 1.00 1.24 O ATOM 3163 CB ALA B 98 4.884 19.134 5.157 1.00 1.01 C ATOM 0 H ALA B 98 6.397 18.579 2.784 1.00 0.99 H new ATOM 0 HA ALA B 98 5.836 20.926 4.473 1.00 1.07 H new ATOM 0 HB1 ALA B 98 4.916 19.418 6.209 1.00 1.01 H new ATOM 0 HB2 ALA B 98 3.919 19.415 4.734 1.00 1.01 H new ATOM 0 HB3 ALA B 98 5.019 18.056 5.068 1.00 1.01 H new ATOM 3169 N VAL B 99 7.604 18.256 5.253 1.00 1.01 N ATOM 3170 CA VAL B 99 8.849 17.779 5.834 1.00 1.07 C ATOM 3171 C VAL B 99 9.001 16.274 5.574 1.00 1.01 C ATOM 3172 O VAL B 99 8.528 15.436 6.340 1.00 1.02 O ATOM 3173 CB VAL B 99 8.941 18.089 7.353 1.00 1.17 C ATOM 3174 CG1 VAL B 99 7.705 17.607 8.104 1.00 1.14 C ATOM 3175 CG2 VAL B 99 10.207 17.483 7.944 1.00 1.25 C ATOM 0 H VAL B 99 6.942 17.512 5.032 1.00 1.01 H new ATOM 0 HA VAL B 99 9.669 18.312 5.353 1.00 1.07 H new ATOM 0 HB VAL B 99 8.987 19.172 7.468 1.00 1.17 H new ATOM 0 HG11 VAL B 99 7.808 17.842 9.163 1.00 1.14 H new ATOM 0 HG12 VAL B 99 6.820 18.104 7.706 1.00 1.14 H new ATOM 0 HG13 VAL B 99 7.601 16.529 7.980 1.00 1.14 H new ATOM 0 HG21 VAL B 99 10.256 17.710 9.009 1.00 1.25 H new ATOM 0 HG22 VAL B 99 10.193 16.402 7.803 1.00 1.25 H new ATOM 0 HG23 VAL B 99 11.079 17.903 7.443 1.00 1.25 H new ATOM 3185 N PRO B 100 9.648 15.908 4.462 1.00 1.01 N ATOM 3186 CA PRO B 100 9.794 14.518 4.060 1.00 1.02 C ATOM 3187 C PRO B 100 11.013 13.853 4.678 1.00 1.28 C ATOM 3188 O PRO B 100 11.344 12.712 4.356 1.00 1.60 O ATOM 3189 CB PRO B 100 9.939 14.619 2.550 1.00 1.04 C ATOM 3190 CG PRO B 100 10.582 15.946 2.303 1.00 1.04 C ATOM 3191 CD PRO B 100 10.281 16.823 3.496 1.00 1.07 C ATOM 0 HA PRO B 100 8.955 13.903 4.386 1.00 1.02 H new ATOM 0 HB2 PRO B 100 10.551 13.806 2.158 1.00 1.04 H new ATOM 0 HB3 PRO B 100 8.969 14.554 2.057 1.00 1.04 H new ATOM 0 HG2 PRO B 100 11.658 15.833 2.172 1.00 1.04 H new ATOM 0 HG3 PRO B 100 10.195 16.396 1.389 1.00 1.04 H new ATOM 0 HD2 PRO B 100 11.189 17.267 3.904 1.00 1.07 H new ATOM 0 HD3 PRO B 100 9.616 17.644 3.230 1.00 1.07 H new ATOM 3199 N SER B 101 11.666 14.563 5.579 1.00 1.57 N ATOM 3200 CA SER B 101 12.837 14.041 6.257 1.00 1.88 C ATOM 3201 C SER B 101 12.427 13.109 7.397 1.00 1.62 C ATOM 3202 O SER B 101 12.865 13.263 8.537 1.00 1.94 O ATOM 3203 CB SER B 101 13.685 15.201 6.774 1.00 2.76 C ATOM 3204 OG SER B 101 13.984 16.108 5.722 1.00 3.39 O ATOM 0 H SER B 101 11.403 15.508 5.859 1.00 1.57 H new ATOM 0 HA SER B 101 13.431 13.459 5.553 1.00 1.88 H new ATOM 0 HB2 SER B 101 13.153 15.721 7.570 1.00 2.76 H new ATOM 0 HB3 SER B 101 14.610 14.819 7.206 1.00 2.76 H new ATOM 0 HG SER B 101 13.995 15.627 4.868 1.00 3.39 H new ATOM 3210 N GLN B 102 11.583 12.134 7.070 1.00 1.61 N ATOM 3211 CA GLN B 102 11.125 11.137 8.031 1.00 2.12 C ATOM 3212 C GLN B 102 12.206 10.072 8.220 1.00 2.74 C ATOM 3213 O GLN B 102 11.975 8.876 8.037 1.00 3.39 O ATOM 3214 CB GLN B 102 9.813 10.502 7.543 1.00 2.47 C ATOM 3215 CG GLN B 102 9.133 9.600 8.566 1.00 3.01 C ATOM 3216 CD GLN B 102 8.645 10.356 9.784 1.00 3.87 C ATOM 3217 OE1 GLN B 102 9.378 10.530 10.757 1.00 4.45 O ATOM 3218 NE2 GLN B 102 7.396 10.790 9.750 1.00 4.44 N ATOM 0 H GLN B 102 11.198 12.014 6.133 1.00 1.61 H new ATOM 0 HA GLN B 102 10.937 11.617 8.991 1.00 2.12 H new ATOM 0 HB2 GLN B 102 9.122 11.296 7.260 1.00 2.47 H new ATOM 0 HB3 GLN B 102 10.017 9.922 6.643 1.00 2.47 H new ATOM 0 HG2 GLN B 102 8.289 9.096 8.095 1.00 3.01 H new ATOM 0 HG3 GLN B 102 9.832 8.825 8.881 1.00 3.01 H new ATOM 0 HE21 GLN B 102 6.821 10.625 8.924 1.00 4.44 H new ATOM 0 HE22 GLN B 102 7.008 11.290 10.550 1.00 4.44 H new ATOM 3227 N LYS B 103 13.395 10.524 8.579 1.00 3.15 N ATOM 3228 CA LYS B 103 14.535 9.644 8.755 1.00 4.07 C ATOM 3229 C LYS B 103 14.598 9.153 10.193 1.00 4.57 C ATOM 3230 O LYS B 103 15.526 9.479 10.935 1.00 5.24 O ATOM 3231 CB LYS B 103 15.822 10.382 8.379 1.00 4.74 C ATOM 3232 CG LYS B 103 15.885 10.789 6.913 1.00 5.31 C ATOM 3233 CD LYS B 103 16.971 11.825 6.659 1.00 6.26 C ATOM 3234 CE LYS B 103 18.358 11.316 7.028 1.00 6.83 C ATOM 3235 NZ LYS B 103 18.786 10.173 6.179 1.00 7.43 N ATOM 0 H LYS B 103 13.596 11.508 8.756 1.00 3.15 H new ATOM 0 HA LYS B 103 14.426 8.779 8.101 1.00 4.07 H new ATOM 0 HB2 LYS B 103 15.914 11.274 8.999 1.00 4.74 H new ATOM 0 HB3 LYS B 103 16.676 9.745 8.608 1.00 4.74 H new ATOM 0 HG2 LYS B 103 16.073 9.908 6.299 1.00 5.31 H new ATOM 0 HG3 LYS B 103 14.920 11.192 6.606 1.00 5.31 H new ATOM 0 HD2 LYS B 103 16.959 12.109 5.607 1.00 6.26 H new ATOM 0 HD3 LYS B 103 16.752 12.725 7.234 1.00 6.26 H new ATOM 0 HE2 LYS B 103 19.078 12.128 6.929 1.00 6.83 H new ATOM 0 HE3 LYS B 103 18.364 11.010 8.074 1.00 6.83 H new ATOM 0 HZ1 LYS B 103 19.819 10.068 6.233 1.00 7.43 H new ATOM 0 HZ2 LYS B 103 18.331 9.301 6.516 1.00 7.43 H new ATOM 0 HZ3 LYS B 103 18.507 10.350 5.193 1.00 7.43 H new ATOM 3249 N ARG B 104 13.589 8.381 10.580 1.00 4.69 N ATOM 3250 CA ARG B 104 13.498 7.848 11.932 1.00 5.54 C ATOM 3251 C ARG B 104 14.712 6.988 12.259 1.00 5.67 C ATOM 3252 O ARG B 104 14.971 5.978 11.598 1.00 5.97 O ATOM 3253 CB ARG B 104 12.213 7.034 12.104 1.00 6.11 C ATOM 3254 CG ARG B 104 10.944 7.868 12.006 1.00 6.81 C ATOM 3255 CD ARG B 104 9.697 7.012 12.163 1.00 7.63 C ATOM 3256 NE ARG B 104 8.474 7.816 12.123 1.00 8.12 N ATOM 3257 CZ ARG B 104 7.245 7.308 12.012 1.00 8.95 C ATOM 3258 NH1 ARG B 104 7.068 5.994 11.939 1.00 9.34 N ATOM 3259 NH2 ARG B 104 6.192 8.114 11.983 1.00 9.59 N ATOM 0 H ARG B 104 12.818 8.109 9.970 1.00 4.69 H new ATOM 0 HA ARG B 104 13.475 8.689 12.625 1.00 5.54 H new ATOM 0 HB2 ARG B 104 12.184 6.253 11.344 1.00 6.11 H new ATOM 0 HB3 ARG B 104 12.236 6.536 13.073 1.00 6.11 H new ATOM 0 HG2 ARG B 104 10.955 8.640 12.775 1.00 6.81 H new ATOM 0 HG3 ARG B 104 10.917 8.378 11.043 1.00 6.81 H new ATOM 0 HD2 ARG B 104 9.667 6.266 11.369 1.00 7.63 H new ATOM 0 HD3 ARG B 104 9.745 6.471 13.108 1.00 7.63 H new ATOM 0 HE ARG B 104 8.567 8.830 12.184 1.00 8.12 H new ATOM 0 HH11 ARG B 104 7.873 5.369 11.968 1.00 9.34 H new ATOM 0 HH12 ARG B 104 6.127 5.610 11.854 1.00 9.34 H new ATOM 0 HH21 ARG B 104 6.321 9.124 12.046 1.00 9.59 H new ATOM 0 HH22 ARG B 104 5.253 7.724 11.898 1.00 9.59 H new ATOM 3273 N THR B 105 15.459 7.412 13.262 1.00 5.80 N ATOM 3274 CA THR B 105 16.642 6.698 13.697 1.00 6.20 C ATOM 3275 C THR B 105 16.261 5.501 14.560 1.00 6.46 C ATOM 3276 O THR B 105 15.893 5.703 15.736 1.00 6.81 O ATOM 3277 CB THR B 105 17.582 7.639 14.473 1.00 6.59 C ATOM 3278 OG1 THR B 105 16.809 8.495 15.330 1.00 6.66 O ATOM 3279 CG2 THR B 105 18.416 8.482 13.521 1.00 7.01 C ATOM 3280 OXT THR B 105 16.305 4.361 14.055 1.00 6.62 O ATOM 0 H THR B 105 15.262 8.259 13.796 1.00 5.80 H new ATOM 0 HA THR B 105 17.165 6.332 12.814 1.00 6.20 H new ATOM 0 HB THR B 105 18.258 7.031 15.074 1.00 6.59 H new ATOM 0 HG1 THR B 105 16.179 7.954 15.850 1.00 6.66 H new ATOM 0 HG21 THR B 105 19.071 9.138 14.094 1.00 7.01 H new ATOM 0 HG22 THR B 105 19.018 7.829 12.889 1.00 7.01 H new ATOM 0 HG23 THR B 105 17.757 9.084 12.896 1.00 7.01 H new TER 3288 THR B 105