USER MOD reduce.3.24.130724 H: found=0, std=0, add=1644, rem=0, adj=70 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: B 63 MET CE :methyl -163:sc= -0.0163 (180deg=-0.302) USER MOD Set 1.2: B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: B 24 TYR OH : rot -82:sc= 1.35 USER MOD Set 2.2: B 45 THR OG1 : rot -87:sc= 2.35 USER MOD Set 3.1: A 63 MET CE :methyl -164:sc= -0.0222 (180deg=-0.31) USER MOD Set 3.2: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 24 TYR OH : rot -78:sc= 1.24 USER MOD Set 4.2: A 45 THR OG1 : rot -81:sc= 2.39 USER MOD Set 5.1: A 13 CYS SG : rot 88:sc= -7.1! USER MOD Set 5.2: B 13 CYS SG : rot 92:sc= -6.96! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0478) USER MOD Single : A 3 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.13) USER MOD Single : A 5 SER OG : rot 180:sc= 0.174 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -162:sc= -1.09! USER MOD Single : A 10 THR OG1 : rot -160:sc= 0 USER MOD Single : A 16 SER OG : rot 85:sc= 1.27 USER MOD Single : A 22 GLN : amide:sc= -0.0135 X(o=-0.014,f=0.28) USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.25) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= -0.0264 (180deg=-0.29) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.0757 K(o=0.076,f=-2.6!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0377 USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= 1.3 (180deg=0.712) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -112:sc= -0.312 (180deg=-0.695) USER MOD Single : A 44 ASN : amide:sc= 0.888 K(o=0.89,f=-0.12) USER MOD Single : A 51 THR OG1 : rot 142:sc= 1.26 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.43!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= 1.32 (180deg=1.12) USER MOD Single : A 64 MET CE :methyl -166:sc= -2.25 (180deg=-2.52) USER MOD Single : A 65 LYS NZ :NH3+ 171:sc= 1.29 (180deg=1.13) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.101 K(o=-0.1,f=0.5) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -2.69 K(o=-2.7,f=-0.87) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0.503 K(o=0.5,f=-1.9!) USER MOD Single : A 89 MET CE :methyl -139:sc= -5.62! (180deg=-10.3!) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -1.41 X(o=-1.4,f=-1.6) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 166:sc= 1.2 (180deg=1.08) USER MOD Single : A 101 SER OG : rot -161:sc= 1.33 USER MOD Single : A 102 GLN : amide:sc= -0.685 K(o=-0.68,f=-2.1!) USER MOD Single : A 103 LYS NZ :NH3+ 167:sc=-0.00808 (180deg=-0.198) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0494) USER MOD Single : B 3 LYS NZ :NH3+ 169:sc= -0.0181 (180deg=-0.149) USER MOD Single : B 5 SER OG : rot 180:sc= 0.146 USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 8 THR OG1 : rot -156:sc= -1.13! USER MOD Single : B 10 THR OG1 : rot -160:sc= 0 USER MOD Single : B 16 SER OG : rot 87:sc= 1.26 USER MOD Single : B 22 GLN : amide:sc=-0.00968 X(o=-0.0097,f=0.24) USER MOD Single : B 23 LYS NZ :NH3+ 147:sc= 1.27 (180deg=1.17) USER MOD Single : B 27 LYS NZ :NH3+ -164:sc= -0.0393 (180deg=-0.281) USER MOD Single : B 30 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 ASN : amide:sc= 0.0837 K(o=0.084,f=-2.7!) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 SER OG : rot 180:sc= -0.0573 USER MOD Single : B 36 LYS NZ :NH3+ -167:sc= 1.35 (180deg=0.804) USER MOD Single : B 37 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 43 MET CE :methyl -111:sc= -0.304 (180deg=-0.705) USER MOD Single : B 44 ASN : amide:sc= 0.81 K(o=0.81,f=-0.11) USER MOD Single : B 51 THR OG1 : rot 139:sc= 1.25 USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.57!) USER MOD Single : B 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 55 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.13) USER MOD Single : B 64 MET CE :methyl -169:sc= -2.35 (180deg=-2.44) USER MOD Single : B 65 LYS NZ :NH3+ 167:sc= 1.25 (180deg=1.19) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 ASN : amide:sc= -0.0982 K(o=-0.098,f=0.64) USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD Single : B 74 GLN : amide:sc= -2.61 K(o=-2.6,f=-0.84) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 82 ASN : amide:sc= 0.7 K(o=0.7,f=-1.8!) USER MOD Single : B 89 MET CE :methyl -136:sc= -5.62! (180deg=-10.1!) USER MOD Single : B 91 CYS SG : rot 180:sc= 0 USER MOD Single : B 92 HIS : no HD1:sc= -1.34 X(o=-1.3,f=-1.6) USER MOD Single : B 94 SER OG : rot 180:sc= 0 USER MOD Single : B 97 LYS NZ :NH3+ 153:sc= 1.23 (180deg=1.14) USER MOD Single : B 101 SER OG : rot -152:sc= 1.28 USER MOD Single : B 102 GLN : amide:sc= -0.668 K(o=-0.67,f=-2.2!) USER MOD Single : B 103 LYS NZ :NH3+ 167:sc= -0.0284 (180deg=-0.228) USER MOD Single : B 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.634 7.723 22.736 1.00 7.63 N ATOM 2 CA MET A 1 -6.700 7.132 21.381 1.00 7.05 C ATOM 3 C MET A 1 -5.897 5.842 21.327 1.00 6.84 C ATOM 4 O MET A 1 -4.677 5.864 21.163 1.00 7.12 O ATOM 5 CB MET A 1 -6.159 8.114 20.338 1.00 7.11 C ATOM 6 CG MET A 1 -7.041 9.333 20.116 1.00 7.39 C ATOM 7 SD MET A 1 -8.631 8.914 19.376 1.00 7.66 S ATOM 8 CE MET A 1 -9.337 10.545 19.149 1.00 7.91 C ATOM 0 H1 MET A 1 -7.293 8.526 22.797 1.00 7.63 H new ATOM 0 H2 MET A 1 -6.897 7.005 23.441 1.00 7.63 H new ATOM 0 H3 MET A 1 -5.666 8.054 22.923 1.00 7.63 H new ATOM 0 HA MET A 1 -7.744 6.915 21.157 1.00 7.05 H new ATOM 0 HB2 MET A 1 -5.169 8.447 20.648 1.00 7.11 H new ATOM 0 HB3 MET A 1 -6.037 7.590 19.390 1.00 7.11 H new ATOM 0 HG2 MET A 1 -7.209 9.834 21.070 1.00 7.39 H new ATOM 0 HG3 MET A 1 -6.520 10.041 19.472 1.00 7.39 H new ATOM 0 HE1 MET A 1 -10.325 10.454 18.698 1.00 7.91 H new ATOM 0 HE2 MET A 1 -9.423 11.042 20.115 1.00 7.91 H new ATOM 0 HE3 MET A 1 -8.693 11.133 18.495 1.00 7.91 H new ATOM 20 N ALA A 2 -6.581 4.720 21.478 1.00 6.67 N ATOM 21 CA ALA A 2 -5.927 3.422 21.440 1.00 6.74 C ATOM 22 C ALA A 2 -5.825 2.914 20.007 1.00 6.14 C ATOM 23 O ALA A 2 -4.836 2.286 19.628 1.00 6.28 O ATOM 24 CB ALA A 2 -6.677 2.425 22.306 1.00 7.31 C ATOM 0 H ALA A 2 -7.589 4.682 21.628 1.00 6.67 H new ATOM 0 HA ALA A 2 -4.918 3.534 21.836 1.00 6.74 H new ATOM 0 HB1 ALA A 2 -6.175 1.459 22.267 1.00 7.31 H new ATOM 0 HB2 ALA A 2 -6.698 2.781 23.336 1.00 7.31 H new ATOM 0 HB3 ALA A 2 -7.697 2.319 21.938 1.00 7.31 H new ATOM 30 N LYS A 3 -6.851 3.196 19.216 1.00 5.79 N ATOM 31 CA LYS A 3 -6.882 2.781 17.822 1.00 5.52 C ATOM 32 C LYS A 3 -7.647 3.796 16.985 1.00 5.00 C ATOM 33 O LYS A 3 -8.709 4.269 17.395 1.00 5.14 O ATOM 34 CB LYS A 3 -7.519 1.393 17.684 1.00 6.00 C ATOM 35 CG LYS A 3 -8.946 1.313 18.207 1.00 6.27 C ATOM 36 CD LYS A 3 -9.525 -0.082 18.038 1.00 6.96 C ATOM 37 CE LYS A 3 -10.950 -0.161 18.562 1.00 7.45 C ATOM 38 NZ LYS A 3 -11.883 0.702 17.786 1.00 7.92 N ATOM 0 H LYS A 3 -7.676 3.713 19.519 1.00 5.79 H new ATOM 0 HA LYS A 3 -5.856 2.727 17.458 1.00 5.52 H new ATOM 0 HB2 LYS A 3 -7.511 1.104 16.633 1.00 6.00 H new ATOM 0 HB3 LYS A 3 -6.906 0.668 18.219 1.00 6.00 H new ATOM 0 HG2 LYS A 3 -8.964 1.590 19.261 1.00 6.27 H new ATOM 0 HG3 LYS A 3 -9.569 2.033 17.677 1.00 6.27 H new ATOM 0 HD2 LYS A 3 -9.508 -0.359 16.984 1.00 6.96 H new ATOM 0 HD3 LYS A 3 -8.901 -0.803 18.567 1.00 6.96 H new ATOM 0 HE2 LYS A 3 -11.294 -1.194 18.520 1.00 7.45 H new ATOM 0 HE3 LYS A 3 -10.967 0.139 19.610 1.00 7.45 H new ATOM 0 HZ1 LYS A 3 -12.863 0.491 18.064 1.00 7.92 H new ATOM 0 HZ2 LYS A 3 -11.675 1.702 17.982 1.00 7.92 H new ATOM 0 HZ3 LYS A 3 -11.764 0.516 16.770 1.00 7.92 H new ATOM 52 N ILE A 4 -7.097 4.132 15.822 1.00 4.74 N ATOM 53 CA ILE A 4 -7.725 5.084 14.909 1.00 4.41 C ATOM 54 C ILE A 4 -7.894 6.445 15.589 1.00 3.66 C ATOM 55 O ILE A 4 -8.996 6.826 15.994 1.00 3.90 O ATOM 56 CB ILE A 4 -9.097 4.569 14.404 1.00 5.14 C ATOM 57 CG1 ILE A 4 -8.953 3.157 13.827 1.00 5.77 C ATOM 58 CG2 ILE A 4 -9.678 5.511 13.355 1.00 5.58 C ATOM 59 CD1 ILE A 4 -10.274 2.506 13.472 1.00 6.53 C ATOM 0 H ILE A 4 -6.210 3.756 15.487 1.00 4.74 H new ATOM 0 HA ILE A 4 -7.068 5.194 14.046 1.00 4.41 H new ATOM 0 HB ILE A 4 -9.783 4.536 15.251 1.00 5.14 H new ATOM 0 HG12 ILE A 4 -8.328 3.201 12.935 1.00 5.77 H new ATOM 0 HG13 ILE A 4 -8.432 2.530 14.550 1.00 5.77 H new ATOM 0 HG21 ILE A 4 -10.641 5.129 13.016 1.00 5.58 H new ATOM 0 HG22 ILE A 4 -9.814 6.501 13.790 1.00 5.58 H new ATOM 0 HG23 ILE A 4 -8.995 5.578 12.508 1.00 5.58 H new ATOM 0 HD11 ILE A 4 -10.092 1.509 13.070 1.00 6.53 H new ATOM 0 HD12 ILE A 4 -10.894 2.429 14.366 1.00 6.53 H new ATOM 0 HD13 ILE A 4 -10.788 3.110 12.725 1.00 6.53 H new ATOM 71 N SER A 5 -6.791 7.162 15.736 1.00 3.24 N ATOM 72 CA SER A 5 -6.812 8.472 16.365 1.00 2.93 C ATOM 73 C SER A 5 -7.397 9.511 15.411 1.00 2.01 C ATOM 74 O SER A 5 -8.549 9.925 15.548 1.00 2.25 O ATOM 75 CB SER A 5 -5.397 8.861 16.804 1.00 3.70 C ATOM 76 OG SER A 5 -4.464 8.688 15.748 1.00 4.46 O ATOM 0 H SER A 5 -5.868 6.857 15.427 1.00 3.24 H new ATOM 0 HA SER A 5 -7.449 8.434 17.249 1.00 2.93 H new ATOM 0 HB2 SER A 5 -5.389 9.900 17.133 1.00 3.70 H new ATOM 0 HB3 SER A 5 -5.099 8.254 17.659 1.00 3.70 H new ATOM 0 HG SER A 5 -3.570 8.945 16.056 1.00 4.46 H new ATOM 82 N SER A 6 -6.596 9.926 14.447 1.00 1.51 N ATOM 83 CA SER A 6 -7.062 10.794 13.381 1.00 1.03 C ATOM 84 C SER A 6 -7.170 10.010 12.067 1.00 0.82 C ATOM 85 O SER A 6 -8.202 10.074 11.398 1.00 0.85 O ATOM 86 CB SER A 6 -6.143 12.013 13.222 1.00 1.67 C ATOM 87 OG SER A 6 -6.677 12.953 12.303 1.00 2.25 O ATOM 0 H SER A 6 -5.610 9.673 14.381 1.00 1.51 H new ATOM 0 HA SER A 6 -8.054 11.162 13.645 1.00 1.03 H new ATOM 0 HB2 SER A 6 -6.001 12.491 14.191 1.00 1.67 H new ATOM 0 HB3 SER A 6 -5.161 11.687 12.880 1.00 1.67 H new ATOM 0 HG SER A 6 -6.068 13.717 12.226 1.00 2.25 H new ATOM 93 N PRO A 7 -6.122 9.250 11.665 1.00 0.69 N ATOM 94 CA PRO A 7 -6.191 8.406 10.473 1.00 0.54 C ATOM 95 C PRO A 7 -6.812 7.054 10.794 1.00 0.44 C ATOM 96 O PRO A 7 -6.951 6.684 11.962 1.00 0.56 O ATOM 97 CB PRO A 7 -4.721 8.235 10.122 1.00 0.61 C ATOM 98 CG PRO A 7 -4.087 8.111 11.451 1.00 0.75 C ATOM 99 CD PRO A 7 -4.784 9.138 12.304 1.00 0.82 C ATOM 0 HA PRO A 7 -6.799 8.831 9.675 1.00 0.54 H new ATOM 0 HB2 PRO A 7 -4.551 7.351 9.507 1.00 0.61 H new ATOM 0 HB3 PRO A 7 -4.334 9.089 9.566 1.00 0.61 H new ATOM 0 HG2 PRO A 7 -4.212 7.107 11.858 1.00 0.75 H new ATOM 0 HG3 PRO A 7 -3.015 8.302 11.398 1.00 0.75 H new ATOM 0 HD2 PRO A 7 -4.858 8.817 13.343 1.00 0.82 H new ATOM 0 HD3 PRO A 7 -4.255 10.091 12.302 1.00 0.82 H new ATOM 107 N THR A 8 -7.184 6.325 9.766 1.00 0.34 N ATOM 108 CA THR A 8 -7.712 4.988 9.942 1.00 0.27 C ATOM 109 C THR A 8 -6.603 3.967 9.794 1.00 0.28 C ATOM 110 O THR A 8 -5.439 4.338 9.626 1.00 0.35 O ATOM 111 CB THR A 8 -8.796 4.701 8.908 1.00 0.28 C ATOM 112 OG1 THR A 8 -8.200 4.579 7.615 1.00 0.36 O ATOM 113 CG2 THR A 8 -9.822 5.815 8.917 1.00 0.32 C ATOM 0 H THR A 8 -7.131 6.635 8.796 1.00 0.34 H new ATOM 0 HA THR A 8 -8.142 4.920 10.941 1.00 0.27 H new ATOM 0 HB THR A 8 -9.298 3.766 9.155 1.00 0.28 H new ATOM 0 HG1 THR A 8 -8.889 4.686 6.926 1.00 0.36 H new ATOM 0 HG21 THR A 8 -10.594 5.605 8.177 1.00 0.32 H new ATOM 0 HG22 THR A 8 -10.276 5.883 9.905 1.00 0.32 H new ATOM 0 HG23 THR A 8 -9.335 6.760 8.675 1.00 0.32 H new ATOM 121 N GLU A 9 -6.966 2.694 9.831 1.00 0.28 N ATOM 122 CA GLU A 9 -5.998 1.615 9.688 1.00 0.33 C ATOM 123 C GLU A 9 -5.178 1.796 8.412 1.00 0.36 C ATOM 124 O GLU A 9 -3.958 1.806 8.460 1.00 0.52 O ATOM 125 CB GLU A 9 -6.710 0.265 9.664 1.00 0.40 C ATOM 126 CG GLU A 9 -5.764 -0.924 9.674 1.00 0.56 C ATOM 127 CD GLU A 9 -5.152 -1.163 11.038 1.00 1.73 C ATOM 128 OE1 GLU A 9 -5.765 -1.881 11.856 1.00 2.47 O ATOM 129 OE2 GLU A 9 -4.050 -0.650 11.296 1.00 2.48 O ATOM 0 H GLU A 9 -7.928 2.381 9.959 1.00 0.28 H new ATOM 0 HA GLU A 9 -5.323 1.644 10.543 1.00 0.33 H new ATOM 0 HB2 GLU A 9 -7.373 0.198 10.527 1.00 0.40 H new ATOM 0 HB3 GLU A 9 -7.338 0.211 8.775 1.00 0.40 H new ATOM 0 HG2 GLU A 9 -6.304 -1.817 9.359 1.00 0.56 H new ATOM 0 HG3 GLU A 9 -4.970 -0.759 8.946 1.00 0.56 H new ATOM 136 N THR A 10 -5.854 1.993 7.285 1.00 0.26 N ATOM 137 CA THR A 10 -5.175 2.121 6.002 1.00 0.27 C ATOM 138 C THR A 10 -4.389 3.417 5.933 1.00 0.27 C ATOM 139 O THR A 10 -3.288 3.444 5.405 1.00 0.31 O ATOM 140 CB THR A 10 -6.161 2.031 4.803 1.00 0.27 C ATOM 141 OG1 THR A 10 -5.588 2.623 3.634 1.00 0.40 O ATOM 142 CG2 THR A 10 -7.493 2.697 5.125 1.00 0.25 C ATOM 0 H THR A 10 -6.870 2.067 7.235 1.00 0.26 H new ATOM 0 HA THR A 10 -4.485 1.281 5.926 1.00 0.27 H new ATOM 0 HB THR A 10 -6.348 0.974 4.611 1.00 0.27 H new ATOM 0 HG1 THR A 10 -6.300 2.847 2.999 1.00 0.40 H new ATOM 0 HG21 THR A 10 -8.158 2.615 4.265 1.00 0.25 H new ATOM 0 HG22 THR A 10 -7.948 2.204 5.984 1.00 0.25 H new ATOM 0 HG23 THR A 10 -7.327 3.749 5.357 1.00 0.25 H new ATOM 150 N GLU A 11 -4.929 4.475 6.512 1.00 0.25 N ATOM 151 CA GLU A 11 -4.293 5.780 6.431 1.00 0.27 C ATOM 152 C GLU A 11 -3.011 5.821 7.242 1.00 0.30 C ATOM 153 O GLU A 11 -1.975 6.261 6.753 1.00 0.32 O ATOM 154 CB GLU A 11 -5.249 6.855 6.901 1.00 0.29 C ATOM 155 CG GLU A 11 -6.575 6.769 6.195 1.00 0.41 C ATOM 156 CD GLU A 11 -7.487 7.933 6.497 1.00 1.11 C ATOM 157 OE1 GLU A 11 -7.819 8.136 7.684 1.00 1.71 O ATOM 158 OE2 GLU A 11 -7.880 8.645 5.551 1.00 1.85 O ATOM 0 H GLU A 11 -5.801 4.458 7.041 1.00 0.25 H new ATOM 0 HA GLU A 11 -4.033 5.965 5.389 1.00 0.27 H new ATOM 0 HB2 GLU A 11 -5.402 6.761 7.976 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.807 7.836 6.727 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -6.404 6.719 5.120 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -7.072 5.842 6.482 1.00 0.41 H new ATOM 165 N ARG A 12 -3.077 5.338 8.471 1.00 0.35 N ATOM 166 CA ARG A 12 -1.892 5.283 9.315 1.00 0.42 C ATOM 167 C ARG A 12 -0.886 4.319 8.713 1.00 0.43 C ATOM 168 O ARG A 12 0.321 4.522 8.795 1.00 0.47 O ATOM 169 CB ARG A 12 -2.249 4.895 10.762 1.00 0.48 C ATOM 170 CG ARG A 12 -2.887 3.519 10.949 1.00 0.49 C ATOM 171 CD ARG A 12 -1.876 2.388 10.836 1.00 0.56 C ATOM 172 NE ARG A 12 -2.261 1.231 11.637 1.00 1.08 N ATOM 173 CZ ARG A 12 -1.762 0.946 12.838 1.00 1.35 C ATOM 174 NH1 ARG A 12 -0.851 1.733 13.398 1.00 1.86 N ATOM 175 NH2 ARG A 12 -2.183 -0.133 13.477 1.00 1.95 N ATOM 0 H ARG A 12 -3.928 4.981 8.905 1.00 0.35 H new ATOM 0 HA ARG A 12 -1.444 6.276 9.358 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -1.341 4.937 11.363 1.00 0.48 H new ATOM 0 HB3 ARG A 12 -2.930 5.647 11.161 1.00 0.48 H new ATOM 0 HG2 ARG A 12 -3.369 3.475 11.926 1.00 0.49 H new ATOM 0 HG3 ARG A 12 -3.668 3.380 10.202 1.00 0.49 H new ATOM 0 HD2 ARG A 12 -1.779 2.091 9.792 1.00 0.56 H new ATOM 0 HD3 ARG A 12 -0.897 2.743 11.158 1.00 0.56 H new ATOM 0 HE ARG A 12 -2.960 0.597 11.250 1.00 1.08 H new ATOM 0 HH11 ARG A 12 -0.526 2.566 12.908 1.00 1.86 H new ATOM 0 HH12 ARG A 12 -0.476 1.504 14.319 1.00 1.86 H new ATOM 0 HH21 ARG A 12 -2.884 -0.738 13.049 1.00 1.95 H new ATOM 0 HH22 ARG A 12 -1.807 -0.360 14.398 1.00 1.95 H new ATOM 189 N CYS A 13 -1.411 3.283 8.078 1.00 0.42 N ATOM 190 CA CYS A 13 -0.596 2.274 7.431 1.00 0.44 C ATOM 191 C CYS A 13 0.081 2.872 6.215 1.00 0.30 C ATOM 192 O CYS A 13 1.251 2.617 5.943 1.00 0.29 O ATOM 193 CB CYS A 13 -1.484 1.087 7.061 1.00 0.57 C ATOM 194 SG CYS A 13 -1.791 -0.043 8.436 1.00 2.16 S ATOM 0 H CYS A 13 -2.415 3.120 7.998 1.00 0.42 H new ATOM 0 HA CYS A 13 0.186 1.921 8.103 1.00 0.44 H new ATOM 0 HB2 CYS A 13 -2.438 1.460 6.688 1.00 0.57 H new ATOM 0 HB3 CYS A 13 -1.017 0.535 6.245 1.00 0.57 H new ATOM 0 HG CYS A 13 -2.828 0.362 9.108 1.00 2.16 H new ATOM 200 N ILE A 14 -0.671 3.706 5.523 1.00 0.26 N ATOM 201 CA ILE A 14 -0.180 4.462 4.395 1.00 0.24 C ATOM 202 C ILE A 14 1.028 5.315 4.780 1.00 0.21 C ATOM 203 O ILE A 14 2.025 5.371 4.057 1.00 0.23 O ATOM 204 CB ILE A 14 -1.312 5.363 3.853 1.00 0.24 C ATOM 205 CG1 ILE A 14 -2.163 4.615 2.825 1.00 0.25 C ATOM 206 CG2 ILE A 14 -0.769 6.659 3.273 1.00 0.27 C ATOM 207 CD1 ILE A 14 -3.449 5.333 2.501 1.00 0.27 C ATOM 0 H ILE A 14 -1.654 3.877 5.734 1.00 0.26 H new ATOM 0 HA ILE A 14 0.140 3.763 3.623 1.00 0.24 H new ATOM 0 HB ILE A 14 -1.952 5.626 4.695 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -1.586 4.481 1.910 1.00 0.25 H new ATOM 0 HG13 ILE A 14 -2.393 3.620 3.205 1.00 0.25 H new ATOM 0 HG21 ILE A 14 -1.595 7.266 2.902 1.00 0.27 H new ATOM 0 HG22 ILE A 14 -0.234 7.209 4.048 1.00 0.27 H new ATOM 0 HG23 ILE A 14 -0.088 6.433 2.453 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -4.012 4.757 1.767 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -4.043 5.443 3.408 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -3.223 6.318 2.093 1.00 0.27 H new ATOM 219 N GLU A 15 0.941 5.950 5.936 1.00 0.24 N ATOM 220 CA GLU A 15 1.969 6.869 6.382 1.00 0.28 C ATOM 221 C GLU A 15 3.142 6.104 6.911 1.00 0.30 C ATOM 222 O GLU A 15 4.269 6.582 6.907 1.00 0.34 O ATOM 223 CB GLU A 15 1.433 7.751 7.482 1.00 0.32 C ATOM 224 CG GLU A 15 0.156 8.463 7.087 1.00 0.33 C ATOM 225 CD GLU A 15 -0.437 9.272 8.219 1.00 0.38 C ATOM 226 OE1 GLU A 15 -0.739 8.692 9.283 1.00 1.26 O ATOM 227 OE2 GLU A 15 -0.607 10.496 8.050 1.00 1.06 O ATOM 0 H GLU A 15 0.162 5.843 6.586 1.00 0.24 H new ATOM 0 HA GLU A 15 2.276 7.482 5.535 1.00 0.28 H new ATOM 0 HB2 GLU A 15 1.248 7.146 8.370 1.00 0.32 H new ATOM 0 HB3 GLU A 15 2.188 8.490 7.751 1.00 0.32 H new ATOM 0 HG2 GLU A 15 0.359 9.122 6.243 1.00 0.33 H new ATOM 0 HG3 GLU A 15 -0.575 7.728 6.750 1.00 0.33 H new ATOM 234 N SER A 16 2.861 4.913 7.380 1.00 0.31 N ATOM 235 CA SER A 16 3.895 4.062 7.880 1.00 0.38 C ATOM 236 C SER A 16 4.734 3.559 6.717 1.00 0.29 C ATOM 237 O SER A 16 5.935 3.354 6.851 1.00 0.28 O ATOM 238 CB SER A 16 3.293 2.922 8.685 1.00 0.54 C ATOM 239 OG SER A 16 2.472 3.420 9.729 1.00 0.97 O ATOM 0 H SER A 16 1.922 4.517 7.423 1.00 0.31 H new ATOM 0 HA SER A 16 4.547 4.620 8.552 1.00 0.38 H new ATOM 0 HB2 SER A 16 2.705 2.279 8.030 1.00 0.54 H new ATOM 0 HB3 SER A 16 4.089 2.307 9.105 1.00 0.54 H new ATOM 0 HG SER A 16 1.572 3.596 9.382 1.00 0.97 H new ATOM 245 N LEU A 17 4.096 3.398 5.561 1.00 0.27 N ATOM 246 CA LEU A 17 4.824 3.136 4.331 1.00 0.28 C ATOM 247 C LEU A 17 5.709 4.331 4.041 1.00 0.27 C ATOM 248 O LEU A 17 6.898 4.187 3.834 1.00 0.32 O ATOM 249 CB LEU A 17 3.871 2.908 3.159 1.00 0.29 C ATOM 250 CG LEU A 17 2.717 1.956 3.449 1.00 0.33 C ATOM 251 CD1 LEU A 17 1.754 1.899 2.277 1.00 0.33 C ATOM 252 CD2 LEU A 17 3.237 0.563 3.779 1.00 0.46 C ATOM 0 H LEU A 17 3.083 3.445 5.454 1.00 0.27 H new ATOM 0 HA LEU A 17 5.420 2.232 4.455 1.00 0.28 H new ATOM 0 HB2 LEU A 17 3.461 3.870 2.850 1.00 0.29 H new ATOM 0 HB3 LEU A 17 4.441 2.519 2.316 1.00 0.29 H new ATOM 0 HG LEU A 17 2.177 2.337 4.316 1.00 0.33 H new ATOM 0 HD11 LEU A 17 0.939 1.213 2.509 1.00 0.33 H new ATOM 0 HD12 LEU A 17 1.349 2.894 2.090 1.00 0.33 H new ATOM 0 HD13 LEU A 17 2.281 1.550 1.389 1.00 0.33 H new ATOM 0 HD21 LEU A 17 2.396 -0.100 3.983 1.00 0.46 H new ATOM 0 HD22 LEU A 17 3.807 0.178 2.934 1.00 0.46 H new ATOM 0 HD23 LEU A 17 3.880 0.613 4.657 1.00 0.46 H new ATOM 264 N ILE A 18 5.109 5.517 4.069 1.00 0.27 N ATOM 265 CA ILE A 18 5.841 6.770 3.902 1.00 0.30 C ATOM 266 C ILE A 18 7.059 6.821 4.826 1.00 0.28 C ATOM 267 O ILE A 18 8.148 7.200 4.407 1.00 0.30 O ATOM 268 CB ILE A 18 4.923 7.986 4.187 1.00 0.36 C ATOM 269 CG1 ILE A 18 3.807 8.057 3.142 1.00 0.63 C ATOM 270 CG2 ILE A 18 5.730 9.279 4.205 1.00 0.47 C ATOM 271 CD1 ILE A 18 2.821 9.182 3.377 1.00 1.37 C ATOM 0 H ILE A 18 4.106 5.638 4.207 1.00 0.27 H new ATOM 0 HA ILE A 18 6.182 6.816 2.868 1.00 0.30 H new ATOM 0 HB ILE A 18 4.471 7.859 5.171 1.00 0.36 H new ATOM 0 HG12 ILE A 18 4.253 8.178 2.155 1.00 0.63 H new ATOM 0 HG13 ILE A 18 3.268 7.110 3.134 1.00 0.63 H new ATOM 0 HG21 ILE A 18 5.066 10.120 4.407 1.00 0.47 H new ATOM 0 HG22 ILE A 18 6.491 9.222 4.984 1.00 0.47 H new ATOM 0 HG23 ILE A 18 6.211 9.421 3.237 1.00 0.47 H new ATOM 0 HD11 ILE A 18 2.060 9.168 2.597 1.00 1.37 H new ATOM 0 HD12 ILE A 18 2.346 9.052 4.349 1.00 1.37 H new ATOM 0 HD13 ILE A 18 3.346 10.137 3.355 1.00 1.37 H new ATOM 283 N ALA A 19 6.864 6.406 6.068 1.00 0.25 N ATOM 284 CA ALA A 19 7.918 6.421 7.070 1.00 0.25 C ATOM 285 C ALA A 19 9.052 5.457 6.721 1.00 0.23 C ATOM 286 O ALA A 19 10.218 5.853 6.675 1.00 0.28 O ATOM 287 CB ALA A 19 7.335 6.085 8.434 1.00 0.28 C ATOM 0 H ALA A 19 5.971 6.050 6.409 1.00 0.25 H new ATOM 0 HA ALA A 19 8.344 7.424 7.094 1.00 0.25 H new ATOM 0 HB1 ALA A 19 8.128 6.097 9.182 1.00 0.28 H new ATOM 0 HB2 ALA A 19 6.577 6.822 8.697 1.00 0.28 H new ATOM 0 HB3 ALA A 19 6.882 5.094 8.402 1.00 0.28 H new ATOM 293 N VAL A 20 8.707 4.199 6.463 1.00 0.20 N ATOM 294 CA VAL A 20 9.708 3.178 6.174 1.00 0.22 C ATOM 295 C VAL A 20 10.393 3.469 4.848 1.00 0.23 C ATOM 296 O VAL A 20 11.606 3.276 4.694 1.00 0.27 O ATOM 297 CB VAL A 20 9.087 1.760 6.167 1.00 0.27 C ATOM 298 CG1 VAL A 20 8.222 1.588 7.378 1.00 0.87 C ATOM 299 CG2 VAL A 20 8.266 1.480 4.922 1.00 0.87 C ATOM 0 H VAL A 20 7.744 3.863 6.448 1.00 0.20 H new ATOM 0 HA VAL A 20 10.454 3.207 6.968 1.00 0.22 H new ATOM 0 HB VAL A 20 9.914 1.049 6.176 1.00 0.27 H new ATOM 0 HG11 VAL A 20 7.784 0.590 7.374 1.00 0.87 H new ATOM 0 HG12 VAL A 20 8.825 1.716 8.277 1.00 0.87 H new ATOM 0 HG13 VAL A 20 7.426 2.333 7.366 1.00 0.87 H new ATOM 0 HG21 VAL A 20 7.857 0.471 4.975 1.00 0.87 H new ATOM 0 HG22 VAL A 20 7.450 2.199 4.855 1.00 0.87 H new ATOM 0 HG23 VAL A 20 8.901 1.568 4.040 1.00 0.87 H new ATOM 309 N PHE A 21 9.610 3.962 3.905 1.00 0.23 N ATOM 310 CA PHE A 21 10.146 4.370 2.614 1.00 0.25 C ATOM 311 C PHE A 21 11.150 5.495 2.796 1.00 0.29 C ATOM 312 O PHE A 21 12.252 5.442 2.268 1.00 0.35 O ATOM 313 CB PHE A 21 9.033 4.845 1.680 1.00 0.26 C ATOM 314 CG PHE A 21 8.103 3.767 1.198 1.00 0.91 C ATOM 315 CD1 PHE A 21 8.160 2.485 1.715 1.00 1.85 C ATOM 316 CD2 PHE A 21 7.160 4.050 0.230 1.00 1.59 C ATOM 317 CE1 PHE A 21 7.295 1.505 1.277 1.00 2.48 C ATOM 318 CE2 PHE A 21 6.292 3.077 -0.212 1.00 2.17 C ATOM 319 CZ PHE A 21 6.358 1.803 0.312 1.00 2.40 C ATOM 0 H PHE A 21 8.603 4.090 4.006 1.00 0.23 H new ATOM 0 HA PHE A 21 10.635 3.503 2.170 1.00 0.25 H new ATOM 0 HB2 PHE A 21 8.447 5.605 2.196 1.00 0.26 H new ATOM 0 HB3 PHE A 21 9.487 5.326 0.814 1.00 0.26 H new ATOM 0 HD1 PHE A 21 8.893 2.249 2.473 1.00 1.85 H new ATOM 0 HD2 PHE A 21 7.103 5.045 -0.185 1.00 1.59 H new ATOM 0 HE1 PHE A 21 7.352 0.508 1.689 1.00 2.48 H new ATOM 0 HE2 PHE A 21 5.559 3.312 -0.970 1.00 2.17 H new ATOM 0 HZ PHE A 21 5.676 1.040 -0.034 1.00 2.40 H new ATOM 329 N GLN A 22 10.768 6.491 3.582 1.00 0.30 N ATOM 330 CA GLN A 22 11.551 7.706 3.731 1.00 0.37 C ATOM 331 C GLN A 22 12.844 7.439 4.482 1.00 0.36 C ATOM 332 O GLN A 22 13.881 8.003 4.152 1.00 0.44 O ATOM 333 CB GLN A 22 10.706 8.767 4.447 1.00 0.47 C ATOM 334 CG GLN A 22 11.275 10.175 4.401 1.00 1.12 C ATOM 335 CD GLN A 22 12.089 10.529 5.632 1.00 1.98 C ATOM 336 OE1 GLN A 22 13.300 10.334 5.675 1.00 2.68 O ATOM 337 NE2 GLN A 22 11.419 11.046 6.649 1.00 2.66 N ATOM 0 H GLN A 22 9.909 6.479 4.132 1.00 0.30 H new ATOM 0 HA GLN A 22 11.826 8.075 2.743 1.00 0.37 H new ATOM 0 HB2 GLN A 22 9.711 8.778 4.003 1.00 0.47 H new ATOM 0 HB3 GLN A 22 10.587 8.473 5.490 1.00 0.47 H new ATOM 0 HG2 GLN A 22 11.903 10.278 3.516 1.00 1.12 H new ATOM 0 HG3 GLN A 22 10.457 10.888 4.296 1.00 1.12 H new ATOM 0 HE21 GLN A 22 10.412 11.193 6.575 1.00 2.66 H new ATOM 0 HE22 GLN A 22 11.909 11.298 7.507 1.00 2.66 H new ATOM 346 N LYS A 23 12.797 6.564 5.474 1.00 0.35 N ATOM 347 CA LYS A 23 13.979 6.291 6.268 1.00 0.39 C ATOM 348 C LYS A 23 15.043 5.571 5.443 1.00 0.40 C ATOM 349 O LYS A 23 16.239 5.808 5.619 1.00 0.49 O ATOM 350 CB LYS A 23 13.622 5.469 7.502 1.00 0.41 C ATOM 351 CG LYS A 23 13.118 4.096 7.187 1.00 0.42 C ATOM 352 CD LYS A 23 12.556 3.455 8.420 1.00 0.63 C ATOM 353 CE LYS A 23 12.461 1.966 8.235 1.00 0.63 C ATOM 354 NZ LYS A 23 11.927 1.272 9.431 1.00 0.91 N ATOM 0 H LYS A 23 11.965 6.039 5.744 1.00 0.35 H new ATOM 0 HA LYS A 23 14.389 7.247 6.592 1.00 0.39 H new ATOM 0 HB2 LYS A 23 14.503 5.386 8.139 1.00 0.41 H new ATOM 0 HB3 LYS A 23 12.863 6.002 8.075 1.00 0.41 H new ATOM 0 HG2 LYS A 23 12.351 4.151 6.415 1.00 0.42 H new ATOM 0 HG3 LYS A 23 13.928 3.486 6.788 1.00 0.42 H new ATOM 0 HD2 LYS A 23 13.189 3.682 9.278 1.00 0.63 H new ATOM 0 HD3 LYS A 23 11.569 3.866 8.635 1.00 0.63 H new ATOM 0 HE2 LYS A 23 11.821 1.751 7.379 1.00 0.63 H new ATOM 0 HE3 LYS A 23 13.449 1.570 8.001 1.00 0.63 H new ATOM 0 HZ1 LYS A 23 11.819 0.258 9.225 1.00 0.91 H new ATOM 0 HZ2 LYS A 23 12.585 1.396 10.227 1.00 0.91 H new ATOM 0 HZ3 LYS A 23 11.001 1.675 9.682 1.00 0.91 H new ATOM 368 N TYR A 24 14.613 4.689 4.542 1.00 0.36 N ATOM 369 CA TYR A 24 15.554 3.955 3.708 1.00 0.39 C ATOM 370 C TYR A 24 15.934 4.739 2.459 1.00 0.34 C ATOM 371 O TYR A 24 17.098 4.766 2.072 1.00 0.40 O ATOM 372 CB TYR A 24 15.003 2.588 3.331 1.00 0.46 C ATOM 373 CG TYR A 24 15.426 1.495 4.285 1.00 0.86 C ATOM 374 CD1 TYR A 24 16.613 0.807 4.080 1.00 1.52 C ATOM 375 CD2 TYR A 24 14.654 1.157 5.389 1.00 1.67 C ATOM 376 CE1 TYR A 24 17.019 -0.187 4.944 1.00 1.83 C ATOM 377 CE2 TYR A 24 15.057 0.162 6.262 1.00 1.99 C ATOM 378 CZ TYR A 24 16.240 -0.505 6.032 1.00 1.72 C ATOM 379 OH TYR A 24 16.653 -1.491 6.899 1.00 2.15 O ATOM 0 H TYR A 24 13.631 4.469 4.374 1.00 0.36 H new ATOM 0 HA TYR A 24 16.459 3.811 4.298 1.00 0.39 H new ATOM 0 HB2 TYR A 24 13.914 2.637 3.303 1.00 0.46 H new ATOM 0 HB3 TYR A 24 15.336 2.333 2.325 1.00 0.46 H new ATOM 0 HD1 TYR A 24 17.230 1.055 3.229 1.00 1.52 H new ATOM 0 HD2 TYR A 24 13.725 1.678 5.569 1.00 1.67 H new ATOM 0 HE1 TYR A 24 17.945 -0.714 4.767 1.00 1.83 H new ATOM 0 HE2 TYR A 24 14.448 -0.090 7.118 1.00 1.99 H new ATOM 0 HH TYR A 24 16.473 -2.370 6.505 1.00 2.15 H new ATOM 389 N ALA A 25 14.957 5.379 1.835 1.00 0.29 N ATOM 390 CA ALA A 25 15.218 6.205 0.664 1.00 0.34 C ATOM 391 C ALA A 25 16.046 7.414 1.059 1.00 0.47 C ATOM 392 O ALA A 25 16.841 7.936 0.280 1.00 0.58 O ATOM 393 CB ALA A 25 13.910 6.643 0.023 1.00 0.37 C ATOM 0 H ALA A 25 13.978 5.343 2.118 1.00 0.29 H new ATOM 0 HA ALA A 25 15.777 5.618 -0.065 1.00 0.34 H new ATOM 0 HB1 ALA A 25 14.121 7.259 -0.851 1.00 0.37 H new ATOM 0 HB2 ALA A 25 13.342 5.764 -0.282 1.00 0.37 H new ATOM 0 HB3 ALA A 25 13.328 7.220 0.742 1.00 0.37 H new ATOM 399 N GLY A 26 15.873 7.829 2.301 1.00 0.49 N ATOM 400 CA GLY A 26 16.598 8.971 2.813 1.00 0.64 C ATOM 401 C GLY A 26 18.067 8.667 3.054 1.00 0.75 C ATOM 402 O GLY A 26 18.849 9.564 3.366 1.00 0.96 O ATOM 0 H GLY A 26 15.238 7.392 2.969 1.00 0.49 H new ATOM 0 HA2 GLY A 26 16.512 9.798 2.108 1.00 0.64 H new ATOM 0 HA3 GLY A 26 16.140 9.299 3.746 1.00 0.64 H new ATOM 406 N LYS A 27 18.442 7.401 2.896 1.00 0.69 N ATOM 407 CA LYS A 27 19.814 6.976 3.141 1.00 0.82 C ATOM 408 C LYS A 27 20.737 7.408 2.013 1.00 0.95 C ATOM 409 O LYS A 27 21.874 7.809 2.260 1.00 1.11 O ATOM 410 CB LYS A 27 19.887 5.461 3.315 1.00 0.77 C ATOM 411 CG LYS A 27 19.188 4.957 4.564 1.00 0.81 C ATOM 412 CD LYS A 27 19.219 3.442 4.647 1.00 0.85 C ATOM 413 CE LYS A 27 18.622 2.945 5.953 1.00 1.11 C ATOM 414 NZ LYS A 27 19.409 3.389 7.134 1.00 1.72 N ATOM 0 H LYS A 27 17.815 6.653 2.600 1.00 0.69 H new ATOM 0 HA LYS A 27 20.145 7.457 4.061 1.00 0.82 H new ATOM 0 HB2 LYS A 27 19.443 4.982 2.442 1.00 0.77 H new ATOM 0 HB3 LYS A 27 20.933 5.158 3.347 1.00 0.77 H new ATOM 0 HG2 LYS A 27 19.668 5.380 5.446 1.00 0.81 H new ATOM 0 HG3 LYS A 27 18.154 5.301 4.567 1.00 0.81 H new ATOM 0 HD2 LYS A 27 18.666 3.019 3.808 1.00 0.85 H new ATOM 0 HD3 LYS A 27 20.248 3.092 4.559 1.00 0.85 H new ATOM 0 HE2 LYS A 27 17.598 3.307 6.044 1.00 1.11 H new ATOM 0 HE3 LYS A 27 18.575 1.856 5.938 1.00 1.11 H new ATOM 0 HZ1 LYS A 27 19.141 2.822 7.963 1.00 1.72 H new ATOM 0 HZ2 LYS A 27 20.423 3.264 6.942 1.00 1.72 H new ATOM 0 HZ3 LYS A 27 19.214 4.393 7.324 1.00 1.72 H new ATOM 428 N ASP A 28 20.261 7.330 0.776 1.00 1.00 N ATOM 429 CA ASP A 28 21.078 7.749 -0.357 1.00 1.19 C ATOM 430 C ASP A 28 20.905 9.242 -0.605 1.00 1.26 C ATOM 431 O ASP A 28 21.597 9.832 -1.440 1.00 1.58 O ATOM 432 CB ASP A 28 20.766 6.935 -1.622 1.00 1.33 C ATOM 433 CG ASP A 28 19.408 7.224 -2.228 1.00 1.65 C ATOM 434 OD1 ASP A 28 19.279 8.233 -2.957 1.00 2.08 O ATOM 435 OD2 ASP A 28 18.483 6.415 -2.018 1.00 2.16 O ATOM 0 H ASP A 28 19.331 6.987 0.534 1.00 1.00 H new ATOM 0 HA ASP A 28 22.121 7.555 -0.108 1.00 1.19 H new ATOM 0 HB2 ASP A 28 21.535 7.136 -2.368 1.00 1.33 H new ATOM 0 HB3 ASP A 28 20.825 5.874 -1.381 1.00 1.33 H new ATOM 440 N GLY A 29 19.987 9.850 0.137 1.00 1.15 N ATOM 441 CA GLY A 29 19.854 11.291 0.126 1.00 1.32 C ATOM 442 C GLY A 29 18.553 11.772 -0.475 1.00 1.51 C ATOM 443 O GLY A 29 18.114 12.887 -0.194 1.00 1.64 O ATOM 0 H GLY A 29 19.330 9.366 0.749 1.00 1.15 H new ATOM 0 HA2 GLY A 29 19.933 11.663 1.148 1.00 1.32 H new ATOM 0 HA3 GLY A 29 20.685 11.720 -0.434 1.00 1.32 H new ATOM 447 N TYR A 30 17.929 10.949 -1.298 1.00 2.07 N ATOM 448 CA TYR A 30 16.696 11.345 -1.960 1.00 2.80 C ATOM 449 C TYR A 30 15.478 10.799 -1.229 1.00 2.61 C ATOM 450 O TYR A 30 15.137 9.628 -1.363 1.00 3.02 O ATOM 451 CB TYR A 30 16.697 10.878 -3.416 1.00 3.68 C ATOM 452 CG TYR A 30 17.741 11.570 -4.265 1.00 4.52 C ATOM 453 CD1 TYR A 30 17.533 12.861 -4.735 1.00 5.12 C ATOM 454 CD2 TYR A 30 18.933 10.937 -4.592 1.00 5.11 C ATOM 455 CE1 TYR A 30 18.484 13.501 -5.505 1.00 6.09 C ATOM 456 CE2 TYR A 30 19.890 11.571 -5.362 1.00 6.04 C ATOM 457 CZ TYR A 30 19.659 12.853 -5.816 1.00 6.45 C ATOM 458 OH TYR A 30 20.607 13.491 -6.583 1.00 7.51 O ATOM 0 H TYR A 30 18.252 10.008 -1.524 1.00 2.07 H new ATOM 0 HA TYR A 30 16.640 12.433 -1.941 1.00 2.80 H new ATOM 0 HB2 TYR A 30 16.870 9.802 -3.445 1.00 3.68 H new ATOM 0 HB3 TYR A 30 15.712 11.055 -3.848 1.00 3.68 H new ATOM 0 HD1 TYR A 30 16.613 13.372 -4.494 1.00 5.12 H new ATOM 0 HD2 TYR A 30 19.115 9.933 -4.239 1.00 5.11 H new ATOM 0 HE1 TYR A 30 18.307 14.505 -5.862 1.00 6.09 H new ATOM 0 HE2 TYR A 30 20.813 11.066 -5.607 1.00 6.04 H new ATOM 0 HH TYR A 30 21.377 12.899 -6.711 1.00 7.51 H new ATOM 468 N ASN A 31 14.808 11.668 -0.476 1.00 2.62 N ATOM 469 CA ASN A 31 13.608 11.289 0.279 1.00 2.78 C ATOM 470 C ASN A 31 12.410 11.135 -0.662 1.00 1.96 C ATOM 471 O ASN A 31 11.315 11.632 -0.401 1.00 2.53 O ATOM 472 CB ASN A 31 13.293 12.335 1.361 1.00 3.85 C ATOM 473 CG ASN A 31 14.371 12.433 2.433 1.00 4.61 C ATOM 474 OD1 ASN A 31 15.553 12.201 2.177 1.00 4.92 O ATOM 475 ND2 ASN A 31 13.971 12.792 3.643 1.00 5.33 N ATOM 0 H ASN A 31 15.075 12.647 -0.370 1.00 2.62 H new ATOM 0 HA ASN A 31 13.802 10.332 0.764 1.00 2.78 H new ATOM 0 HB2 ASN A 31 13.169 13.310 0.890 1.00 3.85 H new ATOM 0 HB3 ASN A 31 12.342 12.086 1.833 1.00 3.85 H new ATOM 0 HD21 ASN A 31 14.650 12.884 4.398 1.00 5.33 H new ATOM 0 HD22 ASN A 31 12.984 12.977 3.820 1.00 5.33 H new ATOM 482 N TYR A 32 12.640 10.419 -1.746 1.00 1.18 N ATOM 483 CA TYR A 32 11.661 10.237 -2.803 1.00 1.18 C ATOM 484 C TYR A 32 11.948 8.933 -3.530 1.00 0.92 C ATOM 485 O TYR A 32 11.034 8.231 -3.956 1.00 1.05 O ATOM 486 CB TYR A 32 11.719 11.423 -3.777 1.00 1.78 C ATOM 487 CG TYR A 32 10.944 11.230 -5.067 1.00 2.38 C ATOM 488 CD1 TYR A 32 9.585 11.506 -5.140 1.00 2.99 C ATOM 489 CD2 TYR A 32 11.583 10.781 -6.216 1.00 3.08 C ATOM 490 CE1 TYR A 32 8.885 11.337 -6.323 1.00 3.86 C ATOM 491 CE2 TYR A 32 10.893 10.609 -7.400 1.00 3.93 C ATOM 492 CZ TYR A 32 9.545 10.888 -7.449 1.00 4.19 C ATOM 493 OH TYR A 32 8.856 10.713 -8.631 1.00 5.19 O ATOM 0 H TYR A 32 13.524 9.941 -1.920 1.00 1.18 H new ATOM 0 HA TYR A 32 10.659 10.193 -2.375 1.00 1.18 H new ATOM 0 HB2 TYR A 32 11.337 12.309 -3.270 1.00 1.78 H new ATOM 0 HB3 TYR A 32 12.762 11.621 -4.023 1.00 1.78 H new ATOM 0 HD1 TYR A 32 9.066 11.858 -4.261 1.00 2.99 H new ATOM 0 HD2 TYR A 32 12.640 10.562 -6.183 1.00 3.08 H new ATOM 0 HE1 TYR A 32 7.828 11.555 -6.364 1.00 3.86 H new ATOM 0 HE2 TYR A 32 11.407 10.258 -8.282 1.00 3.93 H new ATOM 0 HH TYR A 32 9.471 10.393 -9.324 1.00 5.19 H new ATOM 503 N THR A 33 13.228 8.609 -3.644 1.00 0.67 N ATOM 504 CA THR A 33 13.656 7.411 -4.340 1.00 0.46 C ATOM 505 C THR A 33 14.615 6.592 -3.494 1.00 0.38 C ATOM 506 O THR A 33 15.597 7.106 -2.972 1.00 0.44 O ATOM 507 CB THR A 33 14.340 7.755 -5.674 1.00 0.45 C ATOM 508 OG1 THR A 33 14.657 9.155 -5.717 1.00 0.66 O ATOM 509 CG2 THR A 33 13.468 7.370 -6.860 1.00 0.43 C ATOM 0 H THR A 33 13.991 9.166 -3.259 1.00 0.67 H new ATOM 0 HA THR A 33 12.758 6.824 -4.535 1.00 0.46 H new ATOM 0 HB THR A 33 15.263 7.178 -5.741 1.00 0.45 H new ATOM 0 HG1 THR A 33 15.094 9.366 -6.569 1.00 0.66 H new ATOM 0 HG21 THR A 33 13.981 7.627 -7.787 1.00 0.43 H new ATOM 0 HG22 THR A 33 13.275 6.297 -6.837 1.00 0.43 H new ATOM 0 HG23 THR A 33 12.523 7.910 -6.807 1.00 0.43 H new ATOM 517 N LEU A 34 14.304 5.320 -3.375 1.00 0.32 N ATOM 518 CA LEU A 34 15.152 4.360 -2.708 1.00 0.30 C ATOM 519 C LEU A 34 16.149 3.810 -3.700 1.00 0.31 C ATOM 520 O LEU A 34 15.767 3.162 -4.674 1.00 0.34 O ATOM 521 CB LEU A 34 14.273 3.232 -2.173 1.00 0.30 C ATOM 522 CG LEU A 34 14.057 3.203 -0.669 1.00 0.29 C ATOM 523 CD1 LEU A 34 12.575 3.160 -0.339 1.00 0.45 C ATOM 524 CD2 LEU A 34 14.764 2.004 -0.081 1.00 0.28 C ATOM 0 H LEU A 34 13.442 4.919 -3.745 1.00 0.32 H new ATOM 0 HA LEU A 34 15.691 4.830 -1.885 1.00 0.30 H new ATOM 0 HB2 LEU A 34 13.299 3.298 -2.657 1.00 0.30 H new ATOM 0 HB3 LEU A 34 14.715 2.282 -2.474 1.00 0.30 H new ATOM 0 HG LEU A 34 14.471 4.113 -0.235 1.00 0.29 H new ATOM 0 HD11 LEU A 34 12.444 3.140 0.743 1.00 0.45 H new ATOM 0 HD12 LEU A 34 12.085 4.044 -0.748 1.00 0.45 H new ATOM 0 HD13 LEU A 34 12.131 2.265 -0.775 1.00 0.45 H new ATOM 0 HD21 LEU A 34 14.609 1.983 0.998 1.00 0.28 H new ATOM 0 HD22 LEU A 34 14.363 1.092 -0.523 1.00 0.28 H new ATOM 0 HD23 LEU A 34 15.831 2.071 -0.293 1.00 0.28 H new ATOM 536 N SER A 35 17.420 4.105 -3.481 1.00 0.32 N ATOM 537 CA SER A 35 18.459 3.630 -4.367 1.00 0.33 C ATOM 538 C SER A 35 18.584 2.112 -4.280 1.00 0.32 C ATOM 539 O SER A 35 18.046 1.495 -3.357 1.00 0.30 O ATOM 540 CB SER A 35 19.789 4.315 -4.047 1.00 0.37 C ATOM 541 OG SER A 35 20.791 3.968 -4.989 1.00 0.40 O ATOM 0 H SER A 35 17.752 4.669 -2.699 1.00 0.32 H new ATOM 0 HA SER A 35 18.188 3.885 -5.392 1.00 0.33 H new ATOM 0 HB2 SER A 35 19.651 5.396 -4.042 1.00 0.37 H new ATOM 0 HB3 SER A 35 20.115 4.031 -3.046 1.00 0.37 H new ATOM 0 HG SER A 35 21.628 4.423 -4.759 1.00 0.40 H new ATOM 547 N LYS A 36 19.304 1.528 -5.242 1.00 0.38 N ATOM 548 CA LYS A 36 19.371 0.077 -5.415 1.00 0.42 C ATOM 549 C LYS A 36 19.592 -0.634 -4.090 1.00 0.36 C ATOM 550 O LYS A 36 18.751 -1.400 -3.634 1.00 0.35 O ATOM 551 CB LYS A 36 20.495 -0.287 -6.394 1.00 0.53 C ATOM 552 CG LYS A 36 20.655 -1.784 -6.627 1.00 0.62 C ATOM 553 CD LYS A 36 19.382 -2.400 -7.180 1.00 0.66 C ATOM 554 CE LYS A 36 19.549 -3.881 -7.494 1.00 0.61 C ATOM 555 NZ LYS A 36 20.436 -4.105 -8.666 1.00 0.65 N ATOM 0 H LYS A 36 19.857 2.050 -5.922 1.00 0.38 H new ATOM 0 HA LYS A 36 18.414 -0.253 -5.820 1.00 0.42 H new ATOM 0 HB2 LYS A 36 20.302 0.200 -7.350 1.00 0.53 H new ATOM 0 HB3 LYS A 36 21.436 0.114 -6.016 1.00 0.53 H new ATOM 0 HG2 LYS A 36 21.477 -1.959 -7.321 1.00 0.62 H new ATOM 0 HG3 LYS A 36 20.920 -2.273 -5.690 1.00 0.62 H new ATOM 0 HD2 LYS A 36 18.575 -2.272 -6.458 1.00 0.66 H new ATOM 0 HD3 LYS A 36 19.087 -1.869 -8.085 1.00 0.66 H new ATOM 0 HE2 LYS A 36 19.962 -4.392 -6.624 1.00 0.61 H new ATOM 0 HE3 LYS A 36 18.572 -4.323 -7.689 1.00 0.61 H new ATOM 0 HZ1 LYS A 36 20.301 -5.072 -9.024 1.00 0.65 H new ATOM 0 HZ2 LYS A 36 20.201 -3.423 -9.415 1.00 0.65 H new ATOM 0 HZ3 LYS A 36 21.428 -3.977 -8.380 1.00 0.65 H new ATOM 569 N THR A 37 20.694 -0.322 -3.456 1.00 0.37 N ATOM 570 CA THR A 37 21.105 -1.021 -2.260 1.00 0.38 C ATOM 571 C THR A 37 20.190 -0.685 -1.092 1.00 0.36 C ATOM 572 O THR A 37 20.021 -1.484 -0.168 1.00 0.38 O ATOM 573 CB THR A 37 22.536 -0.633 -1.891 1.00 0.44 C ATOM 574 OG1 THR A 37 23.368 -0.667 -3.059 1.00 0.48 O ATOM 575 CG2 THR A 37 23.092 -1.568 -0.829 1.00 0.49 C ATOM 0 H THR A 37 21.330 0.419 -3.750 1.00 0.37 H new ATOM 0 HA THR A 37 21.048 -2.091 -2.463 1.00 0.38 H new ATOM 0 HB THR A 37 22.526 0.379 -1.486 1.00 0.44 H new ATOM 0 HG1 THR A 37 24.283 -0.416 -2.816 1.00 0.48 H new ATOM 0 HG21 THR A 37 24.112 -1.273 -0.582 1.00 0.49 H new ATOM 0 HG22 THR A 37 22.471 -1.513 0.065 1.00 0.49 H new ATOM 0 HG23 THR A 37 23.092 -2.590 -1.208 1.00 0.49 H new ATOM 583 N GLU A 38 19.590 0.495 -1.141 1.00 0.34 N ATOM 584 CA GLU A 38 18.736 0.946 -0.063 1.00 0.34 C ATOM 585 C GLU A 38 17.496 0.074 0.020 1.00 0.34 C ATOM 586 O GLU A 38 17.085 -0.317 1.112 1.00 0.48 O ATOM 587 CB GLU A 38 18.361 2.416 -0.228 1.00 0.35 C ATOM 588 CG GLU A 38 19.563 3.333 -0.400 1.00 0.47 C ATOM 589 CD GLU A 38 20.716 2.982 0.522 1.00 1.27 C ATOM 590 OE1 GLU A 38 20.499 2.831 1.741 1.00 2.16 O ATOM 591 OE2 GLU A 38 21.856 2.849 0.026 1.00 1.96 O ATOM 0 H GLU A 38 19.681 1.153 -1.915 1.00 0.34 H new ATOM 0 HA GLU A 38 19.289 0.855 0.872 1.00 0.34 H new ATOM 0 HB2 GLU A 38 17.707 2.521 -1.094 1.00 0.35 H new ATOM 0 HB3 GLU A 38 17.790 2.737 0.643 1.00 0.35 H new ATOM 0 HG2 GLU A 38 19.905 3.284 -1.434 1.00 0.47 H new ATOM 0 HG3 GLU A 38 19.257 4.362 -0.214 1.00 0.47 H new ATOM 598 N PHE A 39 16.912 -0.272 -1.130 1.00 0.29 N ATOM 599 CA PHE A 39 15.761 -1.164 -1.105 1.00 0.31 C ATOM 600 C PHE A 39 16.199 -2.601 -0.987 1.00 0.28 C ATOM 601 O PHE A 39 15.461 -3.431 -0.480 1.00 0.27 O ATOM 602 CB PHE A 39 14.798 -1.004 -2.286 1.00 0.53 C ATOM 603 CG PHE A 39 15.383 -1.050 -3.664 1.00 0.81 C ATOM 604 CD1 PHE A 39 15.661 -2.259 -4.275 1.00 1.76 C ATOM 605 CD2 PHE A 39 15.613 0.118 -4.364 1.00 1.78 C ATOM 606 CE1 PHE A 39 16.170 -2.298 -5.556 1.00 2.62 C ATOM 607 CE2 PHE A 39 16.116 0.087 -5.645 1.00 2.66 C ATOM 608 CZ PHE A 39 16.396 -1.121 -6.241 1.00 2.88 C ATOM 0 H PHE A 39 17.206 0.040 -2.055 1.00 0.29 H new ATOM 0 HA PHE A 39 15.197 -0.869 -0.220 1.00 0.31 H new ATOM 0 HB2 PHE A 39 14.044 -1.788 -2.214 1.00 0.53 H new ATOM 0 HB3 PHE A 39 14.280 -0.052 -2.172 1.00 0.53 H new ATOM 0 HD1 PHE A 39 15.478 -3.181 -3.744 1.00 1.76 H new ATOM 0 HD2 PHE A 39 15.395 1.069 -3.900 1.00 1.78 H new ATOM 0 HE1 PHE A 39 16.391 -3.247 -6.022 1.00 2.62 H new ATOM 0 HE2 PHE A 39 16.290 1.008 -6.181 1.00 2.66 H new ATOM 0 HZ PHE A 39 16.793 -1.148 -7.245 1.00 2.88 H new ATOM 618 N LEU A 40 17.396 -2.897 -1.453 1.00 0.33 N ATOM 619 CA LEU A 40 17.981 -4.206 -1.229 1.00 0.37 C ATOM 620 C LEU A 40 18.025 -4.494 0.267 1.00 0.40 C ATOM 621 O LEU A 40 17.581 -5.542 0.732 1.00 0.43 O ATOM 622 CB LEU A 40 19.392 -4.257 -1.807 1.00 0.43 C ATOM 623 CG LEU A 40 19.529 -4.822 -3.230 1.00 0.50 C ATOM 624 CD1 LEU A 40 19.436 -6.336 -3.229 1.00 1.07 C ATOM 625 CD2 LEU A 40 18.471 -4.250 -4.146 1.00 0.46 C ATOM 0 H LEU A 40 17.981 -2.254 -1.986 1.00 0.33 H new ATOM 0 HA LEU A 40 17.370 -4.960 -1.726 1.00 0.37 H new ATOM 0 HB2 LEU A 40 19.800 -3.246 -1.800 1.00 0.43 H new ATOM 0 HB3 LEU A 40 20.012 -4.856 -1.141 1.00 0.43 H new ATOM 0 HG LEU A 40 20.512 -4.530 -3.600 1.00 0.50 H new ATOM 0 HD11 LEU A 40 19.536 -6.707 -4.249 1.00 1.07 H new ATOM 0 HD12 LEU A 40 20.234 -6.749 -2.612 1.00 1.07 H new ATOM 0 HD13 LEU A 40 18.471 -6.641 -2.825 1.00 1.07 H new ATOM 0 HD21 LEU A 40 18.591 -4.667 -5.146 1.00 0.46 H new ATOM 0 HD22 LEU A 40 17.482 -4.504 -3.764 1.00 0.46 H new ATOM 0 HD23 LEU A 40 18.575 -3.166 -4.190 1.00 0.46 H new ATOM 637 N SER A 41 18.551 -3.532 1.012 1.00 0.42 N ATOM 638 CA SER A 41 18.617 -3.624 2.459 1.00 0.52 C ATOM 639 C SER A 41 17.209 -3.592 3.050 1.00 0.45 C ATOM 640 O SER A 41 16.881 -4.395 3.920 1.00 0.47 O ATOM 641 CB SER A 41 19.465 -2.477 3.017 1.00 0.67 C ATOM 642 OG SER A 41 19.706 -2.634 4.404 1.00 1.40 O ATOM 0 H SER A 41 18.942 -2.671 0.630 1.00 0.42 H new ATOM 0 HA SER A 41 19.086 -4.568 2.737 1.00 0.52 H new ATOM 0 HB2 SER A 41 20.415 -2.434 2.485 1.00 0.67 H new ATOM 0 HB3 SER A 41 18.957 -1.529 2.840 1.00 0.67 H new ATOM 0 HG SER A 41 20.251 -1.886 4.728 1.00 1.40 H new ATOM 648 N PHE A 42 16.381 -2.664 2.559 1.00 0.42 N ATOM 649 CA PHE A 42 14.974 -2.571 2.958 1.00 0.46 C ATOM 650 C PHE A 42 14.296 -3.920 2.830 1.00 0.29 C ATOM 651 O PHE A 42 13.770 -4.453 3.788 1.00 0.43 O ATOM 652 CB PHE A 42 14.239 -1.566 2.068 1.00 0.80 C ATOM 653 CG PHE A 42 12.805 -1.336 2.464 1.00 1.89 C ATOM 654 CD1 PHE A 42 11.805 -2.211 2.064 1.00 2.77 C ATOM 655 CD2 PHE A 42 12.459 -0.244 3.238 1.00 2.69 C ATOM 656 CE1 PHE A 42 10.491 -1.999 2.430 1.00 3.80 C ATOM 657 CE2 PHE A 42 11.148 -0.026 3.606 1.00 3.73 C ATOM 658 CZ PHE A 42 10.162 -0.905 3.203 1.00 4.13 C ATOM 0 H PHE A 42 16.666 -1.960 1.878 1.00 0.42 H new ATOM 0 HA PHE A 42 14.938 -2.242 3.997 1.00 0.46 H new ATOM 0 HB2 PHE A 42 14.770 -0.615 2.095 1.00 0.80 H new ATOM 0 HB3 PHE A 42 14.269 -1.918 1.037 1.00 0.80 H new ATOM 0 HD1 PHE A 42 12.058 -3.069 1.459 1.00 2.77 H new ATOM 0 HD2 PHE A 42 13.225 0.447 3.558 1.00 2.69 H new ATOM 0 HE1 PHE A 42 9.723 -2.688 2.112 1.00 3.80 H new ATOM 0 HE2 PHE A 42 10.892 0.832 4.210 1.00 3.73 H new ATOM 0 HZ PHE A 42 9.135 -0.736 3.493 1.00 4.13 H new ATOM 668 N MET A 43 14.322 -4.463 1.638 1.00 0.26 N ATOM 669 CA MET A 43 13.642 -5.714 1.353 1.00 0.29 C ATOM 670 C MET A 43 14.186 -6.873 2.185 1.00 0.29 C ATOM 671 O MET A 43 13.456 -7.809 2.489 1.00 0.37 O ATOM 672 CB MET A 43 13.759 -6.035 -0.124 1.00 0.39 C ATOM 673 CG MET A 43 12.960 -5.093 -1.019 1.00 0.62 C ATOM 674 SD MET A 43 13.279 -5.340 -2.778 1.00 1.22 S ATOM 675 CE MET A 43 12.259 -4.052 -3.489 1.00 2.26 C ATOM 0 H MET A 43 14.810 -4.058 0.839 1.00 0.26 H new ATOM 0 HA MET A 43 12.594 -5.587 1.624 1.00 0.29 H new ATOM 0 HB2 MET A 43 14.809 -5.995 -0.414 1.00 0.39 H new ATOM 0 HB3 MET A 43 13.421 -7.057 -0.293 1.00 0.39 H new ATOM 0 HG2 MET A 43 11.897 -5.234 -0.826 1.00 0.62 H new ATOM 0 HG3 MET A 43 13.198 -4.063 -0.755 1.00 0.62 H new ATOM 0 HE1 MET A 43 11.430 -4.504 -4.034 1.00 2.26 H new ATOM 0 HE2 MET A 43 11.868 -3.417 -2.694 1.00 2.26 H new ATOM 0 HE3 MET A 43 12.857 -3.450 -4.173 1.00 2.26 H new ATOM 685 N ASN A 44 15.457 -6.824 2.556 1.00 0.29 N ATOM 686 CA ASN A 44 16.024 -7.886 3.382 1.00 0.33 C ATOM 687 C ASN A 44 15.750 -7.657 4.864 1.00 0.32 C ATOM 688 O ASN A 44 15.915 -8.566 5.670 1.00 0.39 O ATOM 689 CB ASN A 44 17.529 -8.032 3.177 1.00 0.42 C ATOM 690 CG ASN A 44 17.896 -8.844 1.951 1.00 1.05 C ATOM 691 OD1 ASN A 44 17.981 -10.072 2.009 1.00 1.54 O ATOM 692 ND2 ASN A 44 18.149 -8.174 0.844 1.00 1.83 N ATOM 0 H ASN A 44 16.106 -6.078 2.306 1.00 0.29 H new ATOM 0 HA ASN A 44 15.533 -8.805 3.062 1.00 0.33 H new ATOM 0 HB2 ASN A 44 17.974 -7.041 3.093 1.00 0.42 H new ATOM 0 HB3 ASN A 44 17.964 -8.503 4.059 1.00 0.42 H new ATOM 0 HD21 ASN A 44 18.426 -8.672 -0.002 1.00 1.83 H new ATOM 0 HD22 ASN A 44 18.068 -7.157 0.833 1.00 1.83 H new ATOM 699 N THR A 45 15.361 -6.446 5.234 1.00 0.26 N ATOM 700 CA THR A 45 15.062 -6.156 6.638 1.00 0.29 C ATOM 701 C THR A 45 13.567 -6.024 6.872 1.00 0.28 C ATOM 702 O THR A 45 12.947 -6.833 7.563 1.00 0.34 O ATOM 703 CB THR A 45 15.736 -4.854 7.108 1.00 0.29 C ATOM 704 OG1 THR A 45 15.571 -3.831 6.117 1.00 0.34 O ATOM 705 CG2 THR A 45 17.215 -5.070 7.380 1.00 0.34 C ATOM 0 H THR A 45 15.245 -5.657 4.598 1.00 0.26 H new ATOM 0 HA THR A 45 15.454 -6.997 7.210 1.00 0.29 H new ATOM 0 HB THR A 45 15.258 -4.542 8.037 1.00 0.29 H new ATOM 0 HG1 THR A 45 16.237 -3.952 5.408 1.00 0.34 H new ATOM 0 HG21 THR A 45 17.665 -4.134 7.710 1.00 0.34 H new ATOM 0 HG22 THR A 45 17.336 -5.825 8.157 1.00 0.34 H new ATOM 0 HG23 THR A 45 17.707 -5.407 6.468 1.00 0.34 H new ATOM 713 N GLU A 46 13.005 -5.016 6.238 1.00 0.23 N ATOM 714 CA GLU A 46 11.612 -4.671 6.388 1.00 0.25 C ATOM 715 C GLU A 46 10.729 -5.645 5.620 1.00 0.25 C ATOM 716 O GLU A 46 9.517 -5.620 5.756 1.00 0.34 O ATOM 717 CB GLU A 46 11.372 -3.245 5.892 1.00 0.29 C ATOM 718 CG GLU A 46 12.282 -2.207 6.532 1.00 0.58 C ATOM 719 CD GLU A 46 11.985 -1.986 8.002 1.00 1.17 C ATOM 720 OE1 GLU A 46 12.543 -2.711 8.848 1.00 1.68 O ATOM 721 OE2 GLU A 46 11.199 -1.070 8.321 1.00 1.70 O ATOM 0 H GLU A 46 13.512 -4.407 5.596 1.00 0.23 H new ATOM 0 HA GLU A 46 11.353 -4.732 7.445 1.00 0.25 H new ATOM 0 HB2 GLU A 46 11.511 -3.219 4.811 1.00 0.29 H new ATOM 0 HB3 GLU A 46 10.334 -2.973 6.086 1.00 0.29 H new ATOM 0 HG2 GLU A 46 13.319 -2.522 6.420 1.00 0.58 H new ATOM 0 HG3 GLU A 46 12.177 -1.262 5.999 1.00 0.58 H new ATOM 728 N LEU A 47 11.332 -6.490 4.796 1.00 0.25 N ATOM 729 CA LEU A 47 10.575 -7.498 4.067 1.00 0.26 C ATOM 730 C LEU A 47 11.250 -8.850 4.140 1.00 0.28 C ATOM 731 O LEU A 47 11.075 -9.690 3.260 1.00 0.30 O ATOM 732 CB LEU A 47 10.408 -7.091 2.611 1.00 0.26 C ATOM 733 CG LEU A 47 9.622 -5.809 2.395 1.00 0.27 C ATOM 734 CD1 LEU A 47 9.624 -5.444 0.926 1.00 0.32 C ATOM 735 CD2 LEU A 47 8.203 -5.977 2.919 1.00 0.27 C ATOM 0 H LEU A 47 12.336 -6.498 4.616 1.00 0.25 H new ATOM 0 HA LEU A 47 9.594 -7.574 4.535 1.00 0.26 H new ATOM 0 HB2 LEU A 47 11.396 -6.975 2.165 1.00 0.26 H new ATOM 0 HB3 LEU A 47 9.910 -7.900 2.077 1.00 0.26 H new ATOM 0 HG LEU A 47 10.094 -4.996 2.947 1.00 0.27 H new ATOM 0 HD11 LEU A 47 9.059 -4.524 0.779 1.00 0.32 H new ATOM 0 HD12 LEU A 47 10.650 -5.297 0.589 1.00 0.32 H new ATOM 0 HD13 LEU A 47 9.165 -6.248 0.351 1.00 0.32 H new ATOM 0 HD21 LEU A 47 7.645 -5.054 2.761 1.00 0.27 H new ATOM 0 HD22 LEU A 47 7.713 -6.793 2.387 1.00 0.27 H new ATOM 0 HD23 LEU A 47 8.233 -6.205 3.985 1.00 0.27 H new ATOM 747 N ALA A 48 12.032 -9.055 5.185 1.00 0.32 N ATOM 748 CA ALA A 48 12.719 -10.318 5.382 1.00 0.36 C ATOM 749 C ALA A 48 11.727 -11.462 5.557 1.00 0.39 C ATOM 750 O ALA A 48 12.075 -12.629 5.376 1.00 0.44 O ATOM 751 CB ALA A 48 13.641 -10.219 6.579 1.00 0.41 C ATOM 0 H ALA A 48 12.207 -8.361 5.912 1.00 0.32 H new ATOM 0 HA ALA A 48 13.314 -10.532 4.494 1.00 0.36 H new ATOM 0 HB1 ALA A 48 14.154 -11.170 6.723 1.00 0.41 H new ATOM 0 HB2 ALA A 48 14.376 -9.432 6.408 1.00 0.41 H new ATOM 0 HB3 ALA A 48 13.058 -9.984 7.469 1.00 0.41 H new ATOM 757 N ALA A 49 10.493 -11.115 5.910 1.00 0.38 N ATOM 758 CA ALA A 49 9.411 -12.083 5.998 1.00 0.41 C ATOM 759 C ALA A 49 9.155 -12.708 4.637 1.00 0.41 C ATOM 760 O ALA A 49 8.941 -13.911 4.517 1.00 0.47 O ATOM 761 CB ALA A 49 8.150 -11.403 6.500 1.00 0.44 C ATOM 0 H ALA A 49 10.219 -10.160 6.141 1.00 0.38 H new ATOM 0 HA ALA A 49 9.697 -12.868 6.698 1.00 0.41 H new ATOM 0 HB1 ALA A 49 7.343 -12.133 6.564 1.00 0.44 H new ATOM 0 HB2 ALA A 49 8.334 -10.978 7.487 1.00 0.44 H new ATOM 0 HB3 ALA A 49 7.866 -10.608 5.810 1.00 0.44 H new ATOM 767 N PHE A 50 9.168 -11.868 3.620 1.00 0.36 N ATOM 768 CA PHE A 50 8.971 -12.309 2.252 1.00 0.37 C ATOM 769 C PHE A 50 10.291 -12.760 1.639 1.00 0.38 C ATOM 770 O PHE A 50 10.440 -13.906 1.215 1.00 0.44 O ATOM 771 CB PHE A 50 8.382 -11.164 1.429 1.00 0.35 C ATOM 772 CG PHE A 50 8.034 -11.545 0.016 1.00 0.70 C ATOM 773 CD1 PHE A 50 6.888 -12.275 -0.256 1.00 1.63 C ATOM 774 CD2 PHE A 50 8.852 -11.169 -1.040 1.00 1.32 C ATOM 775 CE1 PHE A 50 6.564 -12.626 -1.553 1.00 2.09 C ATOM 776 CE2 PHE A 50 8.533 -11.518 -2.339 1.00 1.66 C ATOM 777 CZ PHE A 50 7.388 -12.247 -2.596 1.00 1.80 C ATOM 0 H PHE A 50 9.315 -10.863 3.718 1.00 0.36 H new ATOM 0 HA PHE A 50 8.283 -13.154 2.250 1.00 0.37 H new ATOM 0 HB2 PHE A 50 7.485 -10.796 1.927 1.00 0.35 H new ATOM 0 HB3 PHE A 50 9.096 -10.340 1.408 1.00 0.35 H new ATOM 0 HD1 PHE A 50 6.240 -12.573 0.555 1.00 1.63 H new ATOM 0 HD2 PHE A 50 9.747 -10.598 -0.845 1.00 1.32 H new ATOM 0 HE1 PHE A 50 5.668 -13.196 -1.751 1.00 2.09 H new ATOM 0 HE2 PHE A 50 9.178 -11.221 -3.152 1.00 1.66 H new ATOM 0 HZ PHE A 50 7.137 -12.520 -3.610 1.00 1.80 H new ATOM 787 N THR A 51 11.248 -11.845 1.641 1.00 0.36 N ATOM 788 CA THR A 51 12.513 -12.014 0.942 1.00 0.40 C ATOM 789 C THR A 51 13.298 -13.229 1.430 1.00 0.45 C ATOM 790 O THR A 51 13.619 -14.125 0.653 1.00 0.54 O ATOM 791 CB THR A 51 13.373 -10.757 1.133 1.00 0.39 C ATOM 792 OG1 THR A 51 12.679 -9.609 0.629 1.00 0.39 O ATOM 793 CG2 THR A 51 14.720 -10.893 0.444 1.00 0.49 C ATOM 0 H THR A 51 11.168 -10.955 2.133 1.00 0.36 H new ATOM 0 HA THR A 51 12.279 -12.173 -0.111 1.00 0.40 H new ATOM 0 HB THR A 51 13.554 -10.634 2.201 1.00 0.39 H new ATOM 0 HG1 THR A 51 12.844 -8.843 1.217 1.00 0.39 H new ATOM 0 HG21 THR A 51 15.302 -9.985 0.600 1.00 0.49 H new ATOM 0 HG22 THR A 51 15.258 -11.745 0.861 1.00 0.49 H new ATOM 0 HG23 THR A 51 14.568 -11.047 -0.624 1.00 0.49 H new ATOM 801 N LYS A 52 13.589 -13.267 2.720 1.00 0.48 N ATOM 802 CA LYS A 52 14.470 -14.292 3.259 1.00 0.60 C ATOM 803 C LYS A 52 13.741 -15.618 3.420 1.00 0.69 C ATOM 804 O LYS A 52 14.334 -16.620 3.819 1.00 0.84 O ATOM 805 CB LYS A 52 15.067 -13.848 4.593 1.00 0.70 C ATOM 806 CG LYS A 52 15.996 -12.652 4.470 1.00 0.78 C ATOM 807 CD LYS A 52 16.623 -12.291 5.805 1.00 1.07 C ATOM 808 CE LYS A 52 17.565 -11.106 5.674 1.00 1.24 C ATOM 809 NZ LYS A 52 18.074 -10.649 6.995 1.00 1.82 N ATOM 0 H LYS A 52 13.232 -12.606 3.410 1.00 0.48 H new ATOM 0 HA LYS A 52 15.282 -14.437 2.546 1.00 0.60 H new ATOM 0 HB2 LYS A 52 14.258 -13.601 5.280 1.00 0.70 H new ATOM 0 HB3 LYS A 52 15.616 -14.681 5.032 1.00 0.70 H new ATOM 0 HG2 LYS A 52 16.781 -12.873 3.747 1.00 0.78 H new ATOM 0 HG3 LYS A 52 15.440 -11.797 4.085 1.00 0.78 H new ATOM 0 HD2 LYS A 52 15.839 -12.056 6.525 1.00 1.07 H new ATOM 0 HD3 LYS A 52 17.169 -13.150 6.196 1.00 1.07 H new ATOM 0 HE2 LYS A 52 18.406 -11.380 5.037 1.00 1.24 H new ATOM 0 HE3 LYS A 52 17.046 -10.284 5.181 1.00 1.24 H new ATOM 0 HZ1 LYS A 52 18.713 -9.839 6.860 1.00 1.82 H new ATOM 0 HZ2 LYS A 52 17.274 -10.363 7.595 1.00 1.82 H new ATOM 0 HZ3 LYS A 52 18.591 -11.425 7.455 1.00 1.82 H new ATOM 823 N ASN A 53 12.455 -15.623 3.110 1.00 0.68 N ATOM 824 CA ASN A 53 11.661 -16.834 3.225 1.00 0.85 C ATOM 825 C ASN A 53 11.424 -17.444 1.845 1.00 1.00 C ATOM 826 O ASN A 53 11.397 -18.667 1.688 1.00 1.22 O ATOM 827 CB ASN A 53 10.326 -16.520 3.904 1.00 0.92 C ATOM 828 CG ASN A 53 9.581 -17.756 4.390 1.00 1.40 C ATOM 829 OD1 ASN A 53 9.706 -18.846 3.837 1.00 1.94 O ATOM 830 ND2 ASN A 53 8.786 -17.587 5.434 1.00 2.05 N ATOM 0 H ASN A 53 11.941 -14.807 2.779 1.00 0.68 H new ATOM 0 HA ASN A 53 12.204 -17.556 3.834 1.00 0.85 H new ATOM 0 HB2 ASN A 53 10.506 -15.859 4.751 1.00 0.92 H new ATOM 0 HB3 ASN A 53 9.692 -15.976 3.204 1.00 0.92 H new ATOM 0 HD21 ASN A 53 8.254 -18.375 5.803 1.00 2.05 H new ATOM 0 HD22 ASN A 53 8.705 -16.668 5.870 1.00 2.05 H new ATOM 837 N GLN A 54 11.298 -16.595 0.835 1.00 1.02 N ATOM 838 CA GLN A 54 10.992 -17.054 -0.511 1.00 1.29 C ATOM 839 C GLN A 54 11.914 -16.411 -1.537 1.00 1.33 C ATOM 840 O GLN A 54 11.846 -15.202 -1.758 1.00 2.05 O ATOM 841 CB GLN A 54 9.537 -16.735 -0.865 1.00 1.74 C ATOM 842 CG GLN A 54 8.519 -17.467 -0.007 1.00 2.17 C ATOM 843 CD GLN A 54 7.091 -17.101 -0.360 1.00 2.40 C ATOM 844 OE1 GLN A 54 6.511 -16.182 0.217 1.00 2.91 O ATOM 845 NE2 GLN A 54 6.519 -17.813 -1.317 1.00 2.71 N ATOM 0 H GLN A 54 11.403 -15.584 0.923 1.00 1.02 H new ATOM 0 HA GLN A 54 11.145 -18.133 -0.534 1.00 1.29 H new ATOM 0 HB2 GLN A 54 9.376 -15.662 -0.766 1.00 1.74 H new ATOM 0 HB3 GLN A 54 9.364 -16.988 -1.911 1.00 1.74 H new ATOM 0 HG2 GLN A 54 8.655 -18.542 -0.125 1.00 2.17 H new ATOM 0 HG3 GLN A 54 8.701 -17.237 1.043 1.00 2.17 H new ATOM 0 HE21 GLN A 54 7.036 -18.567 -1.770 1.00 2.71 H new ATOM 0 HE22 GLN A 54 5.561 -17.608 -1.602 1.00 2.71 H new ATOM 854 N LYS A 55 12.769 -17.236 -2.150 1.00 1.44 N ATOM 855 CA LYS A 55 13.632 -16.812 -3.255 1.00 1.87 C ATOM 856 C LYS A 55 14.812 -15.965 -2.770 1.00 1.59 C ATOM 857 O LYS A 55 14.666 -15.072 -1.937 1.00 2.27 O ATOM 858 CB LYS A 55 12.805 -16.062 -4.313 1.00 2.84 C ATOM 859 CG LYS A 55 13.617 -15.436 -5.435 1.00 3.60 C ATOM 860 CD LYS A 55 14.418 -16.458 -6.218 1.00 4.29 C ATOM 861 CE LYS A 55 15.194 -15.788 -7.338 1.00 5.02 C ATOM 862 NZ LYS A 55 16.107 -16.731 -8.030 1.00 5.58 N ATOM 0 H LYS A 55 12.882 -18.217 -1.893 1.00 1.44 H new ATOM 0 HA LYS A 55 14.056 -17.706 -3.711 1.00 1.87 H new ATOM 0 HB2 LYS A 55 12.085 -16.755 -4.748 1.00 2.84 H new ATOM 0 HB3 LYS A 55 12.233 -15.278 -3.817 1.00 2.84 H new ATOM 0 HG2 LYS A 55 12.946 -14.909 -6.113 1.00 3.60 H new ATOM 0 HG3 LYS A 55 14.295 -14.692 -5.016 1.00 3.60 H new ATOM 0 HD2 LYS A 55 15.107 -16.976 -5.551 1.00 4.29 H new ATOM 0 HD3 LYS A 55 13.749 -17.212 -6.633 1.00 4.29 H new ATOM 0 HE2 LYS A 55 14.495 -15.366 -8.060 1.00 5.02 H new ATOM 0 HE3 LYS A 55 15.772 -14.958 -6.931 1.00 5.02 H new ATOM 0 HZ1 LYS A 55 16.407 -16.321 -8.937 1.00 5.58 H new ATOM 0 HZ2 LYS A 55 16.942 -16.905 -7.435 1.00 5.58 H new ATOM 0 HZ3 LYS A 55 15.612 -17.629 -8.203 1.00 5.58 H new ATOM 876 N ASP A 56 15.993 -16.289 -3.295 1.00 1.36 N ATOM 877 CA ASP A 56 17.221 -15.553 -2.996 1.00 1.50 C ATOM 878 C ASP A 56 17.075 -14.083 -3.399 1.00 1.27 C ATOM 879 O ASP A 56 16.270 -13.753 -4.274 1.00 1.44 O ATOM 880 CB ASP A 56 18.401 -16.196 -3.742 1.00 2.13 C ATOM 881 CG ASP A 56 18.311 -16.029 -5.246 1.00 2.83 C ATOM 882 OD1 ASP A 56 18.766 -14.988 -5.764 1.00 3.39 O ATOM 883 OD2 ASP A 56 17.786 -16.944 -5.921 1.00 3.44 O ATOM 0 H ASP A 56 16.126 -17.069 -3.939 1.00 1.36 H new ATOM 0 HA ASP A 56 17.409 -15.596 -1.923 1.00 1.50 H new ATOM 0 HB2 ASP A 56 19.332 -15.754 -3.388 1.00 2.13 H new ATOM 0 HB3 ASP A 56 18.441 -17.258 -3.501 1.00 2.13 H new ATOM 888 N PRO A 57 17.877 -13.186 -2.776 1.00 1.06 N ATOM 889 CA PRO A 57 17.750 -11.717 -2.923 1.00 1.02 C ATOM 890 C PRO A 57 17.895 -11.213 -4.354 1.00 0.75 C ATOM 891 O PRO A 57 17.723 -10.021 -4.606 1.00 0.70 O ATOM 892 CB PRO A 57 18.899 -11.174 -2.065 1.00 1.20 C ATOM 893 CG PRO A 57 19.856 -12.305 -1.990 1.00 1.20 C ATOM 894 CD PRO A 57 18.992 -13.520 -1.875 1.00 1.14 C ATOM 0 HA PRO A 57 16.755 -11.389 -2.623 1.00 1.02 H new ATOM 0 HB2 PRO A 57 19.355 -10.294 -2.519 1.00 1.20 H new ATOM 0 HB3 PRO A 57 18.552 -10.878 -1.075 1.00 1.20 H new ATOM 0 HG2 PRO A 57 20.488 -12.350 -2.877 1.00 1.20 H new ATOM 0 HG3 PRO A 57 20.520 -12.207 -1.131 1.00 1.20 H new ATOM 0 HD2 PRO A 57 19.514 -14.424 -2.189 1.00 1.14 H new ATOM 0 HD3 PRO A 57 18.655 -13.686 -0.852 1.00 1.14 H new ATOM 902 N GLY A 58 18.204 -12.107 -5.285 1.00 0.67 N ATOM 903 CA GLY A 58 18.226 -11.735 -6.685 1.00 0.56 C ATOM 904 C GLY A 58 16.848 -11.340 -7.162 1.00 0.49 C ATOM 905 O GLY A 58 16.691 -10.666 -8.179 1.00 0.48 O ATOM 0 H GLY A 58 18.439 -13.081 -5.095 1.00 0.67 H new ATOM 0 HA2 GLY A 58 18.918 -10.906 -6.834 1.00 0.56 H new ATOM 0 HA3 GLY A 58 18.596 -12.569 -7.281 1.00 0.56 H new ATOM 909 N VAL A 59 15.840 -11.760 -6.410 1.00 0.52 N ATOM 910 CA VAL A 59 14.469 -11.379 -6.684 1.00 0.52 C ATOM 911 C VAL A 59 14.289 -9.886 -6.539 1.00 0.49 C ATOM 912 O VAL A 59 13.560 -9.272 -7.306 1.00 0.49 O ATOM 913 CB VAL A 59 13.480 -12.091 -5.746 1.00 0.61 C ATOM 914 CG1 VAL A 59 13.846 -11.852 -4.294 1.00 0.65 C ATOM 915 CG2 VAL A 59 12.055 -11.632 -6.015 1.00 0.66 C ATOM 0 H VAL A 59 15.952 -12.370 -5.600 1.00 0.52 H new ATOM 0 HA VAL A 59 14.258 -11.680 -7.710 1.00 0.52 H new ATOM 0 HB VAL A 59 13.541 -13.161 -5.944 1.00 0.61 H new ATOM 0 HG11 VAL A 59 13.132 -12.365 -3.650 1.00 0.65 H new ATOM 0 HG12 VAL A 59 14.848 -12.236 -4.103 1.00 0.65 H new ATOM 0 HG13 VAL A 59 13.821 -10.783 -4.084 1.00 0.65 H new ATOM 0 HG21 VAL A 59 11.373 -12.149 -5.340 1.00 0.66 H new ATOM 0 HG22 VAL A 59 11.982 -10.557 -5.852 1.00 0.66 H new ATOM 0 HG23 VAL A 59 11.788 -11.861 -7.047 1.00 0.66 H new ATOM 925 N LEU A 60 14.985 -9.303 -5.577 1.00 0.48 N ATOM 926 CA LEU A 60 14.870 -7.878 -5.303 1.00 0.46 C ATOM 927 C LEU A 60 15.329 -7.081 -6.513 1.00 0.43 C ATOM 928 O LEU A 60 14.993 -5.910 -6.678 1.00 0.41 O ATOM 929 CB LEU A 60 15.702 -7.495 -4.083 1.00 0.48 C ATOM 930 CG LEU A 60 15.547 -8.425 -2.875 1.00 0.51 C ATOM 931 CD1 LEU A 60 16.353 -7.911 -1.694 1.00 0.51 C ATOM 932 CD2 LEU A 60 14.082 -8.584 -2.504 1.00 0.52 C ATOM 0 H LEU A 60 15.639 -9.796 -4.969 1.00 0.48 H new ATOM 0 HA LEU A 60 13.825 -7.648 -5.095 1.00 0.46 H new ATOM 0 HB2 LEU A 60 16.753 -7.471 -4.372 1.00 0.48 H new ATOM 0 HB3 LEU A 60 15.432 -6.483 -3.781 1.00 0.48 H new ATOM 0 HG LEU A 60 15.935 -9.406 -3.147 1.00 0.51 H new ATOM 0 HD11 LEU A 60 16.229 -8.586 -0.847 1.00 0.51 H new ATOM 0 HD12 LEU A 60 17.407 -7.861 -1.967 1.00 0.51 H new ATOM 0 HD13 LEU A 60 16.002 -6.916 -1.419 1.00 0.51 H new ATOM 0 HD21 LEU A 60 13.994 -9.248 -1.644 1.00 0.52 H new ATOM 0 HD22 LEU A 60 13.662 -7.610 -2.254 1.00 0.52 H new ATOM 0 HD23 LEU A 60 13.537 -9.009 -3.347 1.00 0.52 H new ATOM 944 N ASP A 61 16.078 -7.755 -7.365 1.00 0.46 N ATOM 945 CA ASP A 61 16.578 -7.162 -8.601 1.00 0.46 C ATOM 946 C ASP A 61 15.497 -7.215 -9.663 1.00 0.47 C ATOM 947 O ASP A 61 15.383 -6.330 -10.513 1.00 0.51 O ATOM 948 CB ASP A 61 17.824 -7.905 -9.079 1.00 0.47 C ATOM 949 CG ASP A 61 18.555 -7.171 -10.187 1.00 0.48 C ATOM 950 OD1 ASP A 61 19.436 -6.337 -9.878 1.00 1.22 O ATOM 951 OD2 ASP A 61 18.263 -7.429 -11.374 1.00 1.19 O ATOM 0 H ASP A 61 16.359 -8.726 -7.225 1.00 0.46 H new ATOM 0 HA ASP A 61 16.847 -6.122 -8.415 1.00 0.46 H new ATOM 0 HB2 ASP A 61 18.501 -8.050 -8.237 1.00 0.47 H new ATOM 0 HB3 ASP A 61 17.538 -8.896 -9.432 1.00 0.47 H new ATOM 956 N ARG A 62 14.688 -8.253 -9.581 1.00 0.47 N ATOM 957 CA ARG A 62 13.553 -8.418 -10.467 1.00 0.51 C ATOM 958 C ARG A 62 12.471 -7.434 -10.051 1.00 0.50 C ATOM 959 O ARG A 62 11.765 -6.861 -10.883 1.00 0.56 O ATOM 960 CB ARG A 62 13.022 -9.850 -10.378 1.00 0.55 C ATOM 961 CG ARG A 62 14.119 -10.897 -10.269 1.00 0.55 C ATOM 962 CD ARG A 62 13.541 -12.281 -10.042 1.00 0.62 C ATOM 963 NE ARG A 62 12.759 -12.748 -11.186 1.00 1.45 N ATOM 964 CZ ARG A 62 11.843 -13.715 -11.121 1.00 1.97 C ATOM 965 NH1 ARG A 62 11.601 -14.330 -9.969 1.00 1.66 N ATOM 966 NH2 ARG A 62 11.171 -14.068 -12.211 1.00 3.02 N ATOM 0 H ARG A 62 14.799 -9.004 -8.900 1.00 0.47 H new ATOM 0 HA ARG A 62 13.854 -8.227 -11.497 1.00 0.51 H new ATOM 0 HB2 ARG A 62 12.365 -9.932 -9.512 1.00 0.55 H new ATOM 0 HB3 ARG A 62 12.416 -10.060 -11.259 1.00 0.55 H new ATOM 0 HG2 ARG A 62 14.717 -10.896 -11.180 1.00 0.55 H new ATOM 0 HG3 ARG A 62 14.788 -10.641 -9.448 1.00 0.55 H new ATOM 0 HD2 ARG A 62 14.351 -12.984 -9.847 1.00 0.62 H new ATOM 0 HD3 ARG A 62 12.910 -12.268 -9.154 1.00 0.62 H new ATOM 0 HE ARG A 62 12.925 -12.306 -12.090 1.00 1.45 H new ATOM 0 HH11 ARG A 62 12.116 -14.063 -9.130 1.00 1.66 H new ATOM 0 HH12 ARG A 62 10.900 -15.069 -9.923 1.00 1.66 H new ATOM 0 HH21 ARG A 62 11.356 -13.599 -13.098 1.00 3.02 H new ATOM 0 HH22 ARG A 62 10.470 -14.808 -12.161 1.00 3.02 H new ATOM 980 N MET A 63 12.375 -7.237 -8.739 1.00 0.45 N ATOM 981 CA MET A 63 11.461 -6.266 -8.158 1.00 0.44 C ATOM 982 C MET A 63 11.891 -4.887 -8.597 1.00 0.41 C ATOM 983 O MET A 63 11.079 -4.100 -9.071 1.00 0.42 O ATOM 984 CB MET A 63 11.478 -6.318 -6.626 1.00 0.43 C ATOM 985 CG MET A 63 11.476 -7.722 -6.047 1.00 0.49 C ATOM 986 SD MET A 63 9.915 -8.598 -6.275 1.00 0.64 S ATOM 987 CE MET A 63 8.838 -7.691 -5.171 1.00 1.54 C ATOM 0 H MET A 63 12.930 -7.747 -8.051 1.00 0.45 H new ATOM 0 HA MET A 63 10.451 -6.498 -8.496 1.00 0.44 H new ATOM 0 HB2 MET A 63 12.362 -5.791 -6.266 1.00 0.43 H new ATOM 0 HB3 MET A 63 10.609 -5.780 -6.246 1.00 0.43 H new ATOM 0 HG2 MET A 63 12.277 -8.298 -6.511 1.00 0.49 H new ATOM 0 HG3 MET A 63 11.699 -7.666 -4.982 1.00 0.49 H new ATOM 0 HE1 MET A 63 7.935 -8.272 -4.985 1.00 1.54 H new ATOM 0 HE2 MET A 63 9.353 -7.509 -4.228 1.00 1.54 H new ATOM 0 HE3 MET A 63 8.569 -6.738 -5.627 1.00 1.54 H new ATOM 997 N MET A 64 13.189 -4.626 -8.438 1.00 0.41 N ATOM 998 CA MET A 64 13.798 -3.370 -8.855 1.00 0.42 C ATOM 999 C MET A 64 13.276 -2.924 -10.192 1.00 0.44 C ATOM 1000 O MET A 64 12.642 -1.896 -10.295 1.00 0.41 O ATOM 1001 CB MET A 64 15.316 -3.507 -8.952 1.00 0.55 C ATOM 1002 CG MET A 64 15.991 -2.263 -9.510 1.00 0.65 C ATOM 1003 SD MET A 64 17.713 -2.541 -9.950 1.00 1.87 S ATOM 1004 CE MET A 64 18.235 -0.866 -10.299 1.00 2.41 C ATOM 0 H MET A 64 13.845 -5.283 -8.016 1.00 0.41 H new ATOM 0 HA MET A 64 13.539 -2.628 -8.100 1.00 0.42 H new ATOM 0 HB2 MET A 64 15.720 -3.720 -7.962 1.00 0.55 H new ATOM 0 HB3 MET A 64 15.558 -4.360 -9.585 1.00 0.55 H new ATOM 0 HG2 MET A 64 15.446 -1.924 -10.391 1.00 0.65 H new ATOM 0 HG3 MET A 64 15.934 -1.463 -8.772 1.00 0.65 H new ATOM 0 HE1 MET A 64 19.192 -0.884 -10.820 1.00 2.41 H new ATOM 0 HE2 MET A 64 17.490 -0.376 -10.926 1.00 2.41 H new ATOM 0 HE3 MET A 64 18.341 -0.316 -9.364 1.00 2.41 H new ATOM 1014 N LYS A 65 13.516 -3.717 -11.204 1.00 0.52 N ATOM 1015 CA LYS A 65 13.239 -3.288 -12.563 1.00 0.56 C ATOM 1016 C LYS A 65 11.760 -3.355 -12.920 1.00 0.54 C ATOM 1017 O LYS A 65 11.319 -2.711 -13.872 1.00 0.60 O ATOM 1018 CB LYS A 65 14.126 -4.045 -13.531 1.00 0.66 C ATOM 1019 CG LYS A 65 15.562 -3.573 -13.416 1.00 0.79 C ATOM 1020 CD LYS A 65 15.692 -2.142 -13.926 1.00 0.86 C ATOM 1021 CE LYS A 65 17.083 -1.573 -13.717 1.00 1.57 C ATOM 1022 NZ LYS A 65 17.132 -0.121 -14.050 1.00 2.49 N ATOM 0 H LYS A 65 13.900 -4.658 -11.121 1.00 0.52 H new ATOM 0 HA LYS A 65 13.485 -2.229 -12.642 1.00 0.56 H new ATOM 0 HB2 LYS A 65 14.071 -5.114 -13.324 1.00 0.66 H new ATOM 0 HB3 LYS A 65 13.769 -3.899 -14.551 1.00 0.66 H new ATOM 0 HG2 LYS A 65 15.887 -3.627 -12.377 1.00 0.79 H new ATOM 0 HG3 LYS A 65 16.215 -4.231 -13.989 1.00 0.79 H new ATOM 0 HD2 LYS A 65 15.448 -2.115 -14.988 1.00 0.86 H new ATOM 0 HD3 LYS A 65 14.965 -1.511 -13.416 1.00 0.86 H new ATOM 0 HE2 LYS A 65 17.386 -1.721 -12.680 1.00 1.57 H new ATOM 0 HE3 LYS A 65 17.796 -2.115 -14.338 1.00 1.57 H new ATOM 0 HZ1 LYS A 65 18.048 0.272 -13.755 1.00 2.49 H new ATOM 0 HZ2 LYS A 65 17.016 0.004 -15.076 1.00 2.49 H new ATOM 0 HZ3 LYS A 65 16.366 0.375 -13.552 1.00 2.49 H new ATOM 1036 N LYS A 66 11.000 -4.134 -12.172 1.00 0.50 N ATOM 1037 CA LYS A 66 9.549 -4.094 -12.286 1.00 0.52 C ATOM 1038 C LYS A 66 9.024 -2.750 -11.789 1.00 0.48 C ATOM 1039 O LYS A 66 8.114 -2.162 -12.373 1.00 0.55 O ATOM 1040 CB LYS A 66 8.913 -5.222 -11.470 1.00 0.55 C ATOM 1041 CG LYS A 66 7.395 -5.143 -11.401 1.00 0.91 C ATOM 1042 CD LYS A 66 6.796 -6.315 -10.634 1.00 0.96 C ATOM 1043 CE LYS A 66 7.334 -6.407 -9.213 1.00 0.73 C ATOM 1044 NZ LYS A 66 6.746 -7.556 -8.475 1.00 1.47 N ATOM 0 H LYS A 66 11.357 -4.797 -11.484 1.00 0.50 H new ATOM 0 HA LYS A 66 9.284 -4.224 -13.335 1.00 0.52 H new ATOM 0 HB2 LYS A 66 9.199 -6.180 -11.905 1.00 0.55 H new ATOM 0 HB3 LYS A 66 9.316 -5.199 -10.458 1.00 0.55 H new ATOM 0 HG2 LYS A 66 7.102 -4.209 -10.922 1.00 0.91 H new ATOM 0 HG3 LYS A 66 6.987 -5.125 -12.411 1.00 0.91 H new ATOM 0 HD2 LYS A 66 5.711 -6.211 -10.604 1.00 0.96 H new ATOM 0 HD3 LYS A 66 7.013 -7.243 -11.164 1.00 0.96 H new ATOM 0 HE2 LYS A 66 8.419 -6.509 -9.241 1.00 0.73 H new ATOM 0 HE3 LYS A 66 7.114 -5.482 -8.680 1.00 0.73 H new ATOM 0 HZ1 LYS A 66 7.136 -7.586 -7.511 1.00 1.47 H new ATOM 0 HZ2 LYS A 66 5.713 -7.446 -8.427 1.00 1.47 H new ATOM 0 HZ3 LYS A 66 6.977 -8.441 -8.970 1.00 1.47 H new ATOM 1058 N LEU A 67 9.627 -2.266 -10.714 1.00 0.41 N ATOM 1059 CA LEU A 67 9.150 -1.076 -10.026 1.00 0.39 C ATOM 1060 C LEU A 67 9.864 0.181 -10.505 1.00 0.40 C ATOM 1061 O LEU A 67 9.292 1.263 -10.492 1.00 0.46 O ATOM 1062 CB LEU A 67 9.374 -1.238 -8.535 1.00 0.34 C ATOM 1063 CG LEU A 67 8.882 -2.563 -7.945 1.00 0.33 C ATOM 1064 CD1 LEU A 67 9.371 -2.726 -6.521 1.00 0.30 C ATOM 1065 CD2 LEU A 67 7.365 -2.656 -8.004 1.00 0.37 C ATOM 0 H LEU A 67 10.457 -2.685 -10.295 1.00 0.41 H new ATOM 0 HA LEU A 67 8.088 -0.964 -10.246 1.00 0.39 H new ATOM 0 HB2 LEU A 67 10.440 -1.141 -8.331 1.00 0.34 H new ATOM 0 HB3 LEU A 67 8.874 -0.419 -8.017 1.00 0.34 H new ATOM 0 HG LEU A 67 9.293 -3.374 -8.546 1.00 0.33 H new ATOM 0 HD11 LEU A 67 9.011 -3.673 -6.119 1.00 0.30 H new ATOM 0 HD12 LEU A 67 10.461 -2.716 -6.507 1.00 0.30 H new ATOM 0 HD13 LEU A 67 8.993 -1.906 -5.910 1.00 0.30 H new ATOM 0 HD21 LEU A 67 7.042 -3.606 -7.579 1.00 0.37 H new ATOM 0 HD22 LEU A 67 6.928 -1.836 -7.434 1.00 0.37 H new ATOM 0 HD23 LEU A 67 7.037 -2.592 -9.041 1.00 0.37 H new ATOM 1077 N ASP A 68 11.125 0.033 -10.900 1.00 0.40 N ATOM 1078 CA ASP A 68 11.938 1.150 -11.391 1.00 0.42 C ATOM 1079 C ASP A 68 11.433 1.568 -12.752 1.00 0.52 C ATOM 1080 O ASP A 68 12.077 1.388 -13.786 1.00 0.56 O ATOM 1081 CB ASP A 68 13.422 0.759 -11.427 1.00 0.43 C ATOM 1082 CG ASP A 68 14.335 1.806 -12.053 1.00 0.46 C ATOM 1083 OD1 ASP A 68 14.107 3.018 -11.850 1.00 1.23 O ATOM 1084 OD2 ASP A 68 15.308 1.412 -12.737 1.00 1.13 O ATOM 0 H ASP A 68 11.615 -0.862 -10.890 1.00 0.40 H new ATOM 0 HA ASP A 68 11.848 2.000 -10.714 1.00 0.42 H new ATOM 0 HB2 ASP A 68 13.758 0.564 -10.409 1.00 0.43 H new ATOM 0 HB3 ASP A 68 13.526 -0.174 -11.981 1.00 0.43 H new ATOM 1089 N THR A 69 10.239 2.098 -12.717 1.00 0.59 N ATOM 1090 CA THR A 69 9.542 2.562 -13.885 1.00 0.74 C ATOM 1091 C THR A 69 10.216 3.814 -14.433 1.00 0.84 C ATOM 1092 O THR A 69 10.030 4.189 -15.592 1.00 0.99 O ATOM 1093 CB THR A 69 8.078 2.840 -13.507 1.00 0.79 C ATOM 1094 OG1 THR A 69 7.235 2.726 -14.660 1.00 0.90 O ATOM 1095 CG2 THR A 69 7.920 4.226 -12.898 1.00 0.83 C ATOM 0 H THR A 69 9.712 2.222 -11.853 1.00 0.59 H new ATOM 0 HA THR A 69 9.570 1.802 -14.666 1.00 0.74 H new ATOM 0 HB THR A 69 7.781 2.099 -12.765 1.00 0.79 H new ATOM 0 HG1 THR A 69 6.306 2.904 -14.405 1.00 0.90 H new ATOM 0 HG21 THR A 69 6.874 4.393 -12.641 1.00 0.83 H new ATOM 0 HG22 THR A 69 8.531 4.300 -11.998 1.00 0.83 H new ATOM 0 HG23 THR A 69 8.242 4.979 -13.618 1.00 0.83 H new ATOM 1103 N ASN A 70 11.030 4.423 -13.587 1.00 0.80 N ATOM 1104 CA ASN A 70 11.746 5.635 -13.930 1.00 0.94 C ATOM 1105 C ASN A 70 13.035 5.274 -14.654 1.00 0.86 C ATOM 1106 O ASN A 70 13.662 6.104 -15.312 1.00 0.97 O ATOM 1107 CB ASN A 70 12.043 6.396 -12.635 1.00 1.01 C ATOM 1108 CG ASN A 70 12.388 7.864 -12.835 1.00 1.25 C ATOM 1109 OD1 ASN A 70 12.975 8.260 -13.840 1.00 1.46 O ATOM 1110 ND2 ASN A 70 12.011 8.688 -11.868 1.00 1.66 N ATOM 0 H ASN A 70 11.212 4.088 -12.641 1.00 0.80 H new ATOM 0 HA ASN A 70 11.150 6.264 -14.591 1.00 0.94 H new ATOM 0 HB2 ASN A 70 11.175 6.325 -11.979 1.00 1.01 H new ATOM 0 HB3 ASN A 70 12.871 5.907 -12.122 1.00 1.01 H new ATOM 0 HD21 ASN A 70 12.206 9.686 -11.944 1.00 1.66 H new ATOM 0 HD22 ASN A 70 11.526 8.324 -11.048 1.00 1.66 H new ATOM 1117 N SER A 71 13.388 3.991 -14.545 1.00 0.70 N ATOM 1118 CA SER A 71 14.585 3.437 -15.160 1.00 0.66 C ATOM 1119 C SER A 71 15.815 4.211 -14.723 1.00 0.61 C ATOM 1120 O SER A 71 16.760 4.402 -15.489 1.00 0.65 O ATOM 1121 CB SER A 71 14.452 3.429 -16.683 1.00 0.82 C ATOM 1122 OG SER A 71 13.317 2.676 -17.087 1.00 1.47 O ATOM 0 H SER A 71 12.843 3.306 -14.022 1.00 0.70 H new ATOM 0 HA SER A 71 14.700 2.405 -14.827 1.00 0.66 H new ATOM 0 HB2 SER A 71 14.365 4.452 -17.050 1.00 0.82 H new ATOM 0 HB3 SER A 71 15.352 3.006 -17.129 1.00 0.82 H new ATOM 0 HG SER A 71 13.249 2.685 -18.065 1.00 1.47 H new ATOM 1128 N ASP A 72 15.794 4.632 -13.473 1.00 0.58 N ATOM 1129 CA ASP A 72 16.852 5.459 -12.925 1.00 0.65 C ATOM 1130 C ASP A 72 17.708 4.636 -11.979 1.00 0.56 C ATOM 1131 O ASP A 72 18.834 5.010 -11.646 1.00 0.66 O ATOM 1132 CB ASP A 72 16.248 6.658 -12.193 1.00 0.80 C ATOM 1133 CG ASP A 72 17.288 7.676 -11.781 1.00 0.93 C ATOM 1134 OD1 ASP A 72 17.737 8.456 -12.648 1.00 1.56 O ATOM 1135 OD2 ASP A 72 17.649 7.719 -10.591 1.00 1.53 O ATOM 0 H ASP A 72 15.048 4.412 -12.812 1.00 0.58 H new ATOM 0 HA ASP A 72 17.480 5.827 -13.736 1.00 0.65 H new ATOM 0 HB2 ASP A 72 15.511 7.138 -12.837 1.00 0.80 H new ATOM 0 HB3 ASP A 72 15.718 6.308 -11.307 1.00 0.80 H new ATOM 1140 N GLY A 73 17.168 3.503 -11.555 1.00 0.45 N ATOM 1141 CA GLY A 73 17.894 2.629 -10.662 1.00 0.46 C ATOM 1142 C GLY A 73 17.457 2.801 -9.231 1.00 0.41 C ATOM 1143 O GLY A 73 18.075 2.263 -8.311 1.00 0.44 O ATOM 0 H GLY A 73 16.238 3.174 -11.815 1.00 0.45 H new ATOM 0 HA2 GLY A 73 17.743 1.593 -10.966 1.00 0.46 H new ATOM 0 HA3 GLY A 73 18.962 2.833 -10.743 1.00 0.46 H new ATOM 1147 N GLN A 74 16.394 3.566 -9.043 1.00 0.38 N ATOM 1148 CA GLN A 74 15.828 3.768 -7.733 1.00 0.37 C ATOM 1149 C GLN A 74 14.336 3.528 -7.792 1.00 0.36 C ATOM 1150 O GLN A 74 13.725 3.597 -8.857 1.00 0.39 O ATOM 1151 CB GLN A 74 16.066 5.190 -7.223 1.00 0.38 C ATOM 1152 CG GLN A 74 17.498 5.682 -7.305 1.00 0.42 C ATOM 1153 CD GLN A 74 17.698 6.977 -6.538 1.00 0.50 C ATOM 1154 OE1 GLN A 74 17.577 8.069 -7.092 1.00 1.03 O ATOM 1155 NE2 GLN A 74 17.970 6.862 -5.247 1.00 1.25 N ATOM 0 H GLN A 74 15.907 4.058 -9.792 1.00 0.38 H new ATOM 0 HA GLN A 74 16.314 3.069 -7.052 1.00 0.37 H new ATOM 0 HB2 GLN A 74 15.433 5.872 -7.791 1.00 0.38 H new ATOM 0 HB3 GLN A 74 15.741 5.244 -6.184 1.00 0.38 H new ATOM 0 HG2 GLN A 74 18.167 4.918 -6.908 1.00 0.42 H new ATOM 0 HG3 GLN A 74 17.770 5.833 -8.350 1.00 0.42 H new ATOM 0 HE21 GLN A 74 18.062 5.938 -4.826 1.00 1.25 H new ATOM 0 HE22 GLN A 74 18.087 7.698 -4.674 1.00 1.25 H new ATOM 1164 N LEU A 75 13.755 3.264 -6.648 1.00 0.33 N ATOM 1165 CA LEU A 75 12.323 3.064 -6.553 1.00 0.32 C ATOM 1166 C LEU A 75 11.701 4.188 -5.788 1.00 0.32 C ATOM 1167 O LEU A 75 12.033 4.422 -4.628 1.00 0.32 O ATOM 1168 CB LEU A 75 12.004 1.745 -5.874 1.00 0.31 C ATOM 1169 CG LEU A 75 12.574 0.529 -6.588 1.00 0.33 C ATOM 1170 CD1 LEU A 75 12.111 -0.755 -5.927 1.00 0.35 C ATOM 1171 CD2 LEU A 75 12.176 0.570 -8.049 1.00 0.35 C ATOM 0 H LEU A 75 14.253 3.181 -5.761 1.00 0.33 H new ATOM 0 HA LEU A 75 11.914 3.041 -7.563 1.00 0.32 H new ATOM 0 HB2 LEU A 75 12.390 1.770 -4.855 1.00 0.31 H new ATOM 0 HB3 LEU A 75 10.922 1.637 -5.802 1.00 0.31 H new ATOM 0 HG LEU A 75 13.662 0.552 -6.520 1.00 0.33 H new ATOM 0 HD11 LEU A 75 12.532 -1.609 -6.457 1.00 0.35 H new ATOM 0 HD12 LEU A 75 12.444 -0.771 -4.889 1.00 0.35 H new ATOM 0 HD13 LEU A 75 11.023 -0.809 -5.959 1.00 0.35 H new ATOM 0 HD21 LEU A 75 12.584 -0.301 -8.562 1.00 0.35 H new ATOM 0 HD22 LEU A 75 11.089 0.563 -8.130 1.00 0.35 H new ATOM 0 HD23 LEU A 75 12.568 1.478 -8.508 1.00 0.35 H new ATOM 1183 N ASP A 76 10.795 4.885 -6.426 1.00 0.35 N ATOM 1184 CA ASP A 76 10.191 6.016 -5.782 1.00 0.36 C ATOM 1185 C ASP A 76 9.037 5.543 -4.941 1.00 0.33 C ATOM 1186 O ASP A 76 8.563 4.429 -5.121 1.00 0.32 O ATOM 1187 CB ASP A 76 9.762 7.088 -6.784 1.00 0.44 C ATOM 1188 CG ASP A 76 8.354 6.920 -7.324 1.00 0.91 C ATOM 1189 OD1 ASP A 76 7.393 7.333 -6.642 1.00 1.68 O ATOM 1190 OD2 ASP A 76 8.207 6.412 -8.451 1.00 1.45 O ATOM 0 H ASP A 76 10.466 4.692 -7.372 1.00 0.35 H new ATOM 0 HA ASP A 76 10.932 6.490 -5.138 1.00 0.36 H new ATOM 0 HB2 ASP A 76 9.840 8.065 -6.307 1.00 0.44 H new ATOM 0 HB3 ASP A 76 10.461 7.085 -7.621 1.00 0.44 H new ATOM 1195 N PHE A 77 8.630 6.373 -4.009 1.00 0.41 N ATOM 1196 CA PHE A 77 7.582 6.036 -3.059 1.00 0.49 C ATOM 1197 C PHE A 77 6.388 5.331 -3.722 1.00 0.39 C ATOM 1198 O PHE A 77 5.924 4.301 -3.237 1.00 0.39 O ATOM 1199 CB PHE A 77 7.135 7.315 -2.370 1.00 0.72 C ATOM 1200 CG PHE A 77 7.960 7.700 -1.175 1.00 1.76 C ATOM 1201 CD1 PHE A 77 9.298 8.023 -1.314 1.00 2.66 C ATOM 1202 CD2 PHE A 77 7.389 7.759 0.086 1.00 2.56 C ATOM 1203 CE1 PHE A 77 10.053 8.397 -0.221 1.00 3.77 C ATOM 1204 CE2 PHE A 77 8.140 8.131 1.183 1.00 3.67 C ATOM 1205 CZ PHE A 77 9.473 8.451 1.029 1.00 4.15 C ATOM 0 H PHE A 77 9.016 7.309 -3.883 1.00 0.41 H new ATOM 0 HA PHE A 77 7.985 5.330 -2.333 1.00 0.49 H new ATOM 0 HB2 PHE A 77 7.162 8.131 -3.093 1.00 0.72 H new ATOM 0 HB3 PHE A 77 6.097 7.201 -2.058 1.00 0.72 H new ATOM 0 HD1 PHE A 77 9.758 7.982 -2.290 1.00 2.66 H new ATOM 0 HD2 PHE A 77 6.345 7.511 0.212 1.00 2.56 H new ATOM 0 HE1 PHE A 77 11.096 8.647 -0.344 1.00 3.77 H new ATOM 0 HE2 PHE A 77 7.684 8.171 2.161 1.00 3.67 H new ATOM 0 HZ PHE A 77 10.061 8.743 1.886 1.00 4.15 H new ATOM 1215 N SER A 78 5.923 5.872 -4.841 1.00 0.39 N ATOM 1216 CA SER A 78 4.785 5.318 -5.566 1.00 0.38 C ATOM 1217 C SER A 78 5.123 3.954 -6.178 1.00 0.38 C ATOM 1218 O SER A 78 4.283 3.051 -6.209 1.00 0.44 O ATOM 1219 CB SER A 78 4.346 6.299 -6.658 1.00 0.45 C ATOM 1220 OG SER A 78 3.134 5.894 -7.270 1.00 1.31 O ATOM 0 H SER A 78 6.323 6.706 -5.272 1.00 0.39 H new ATOM 0 HA SER A 78 3.967 5.169 -4.861 1.00 0.38 H new ATOM 0 HB2 SER A 78 4.222 7.292 -6.226 1.00 0.45 H new ATOM 0 HB3 SER A 78 5.128 6.376 -7.414 1.00 0.45 H new ATOM 0 HG SER A 78 2.883 6.543 -7.960 1.00 1.31 H new ATOM 1226 N GLU A 79 6.354 3.796 -6.650 1.00 0.36 N ATOM 1227 CA GLU A 79 6.781 2.537 -7.245 1.00 0.42 C ATOM 1228 C GLU A 79 7.110 1.525 -6.162 1.00 0.33 C ATOM 1229 O GLU A 79 6.955 0.319 -6.345 1.00 0.33 O ATOM 1230 CB GLU A 79 7.977 2.754 -8.161 1.00 0.51 C ATOM 1231 CG GLU A 79 7.642 3.591 -9.380 1.00 0.64 C ATOM 1232 CD GLU A 79 6.370 3.132 -10.070 1.00 1.81 C ATOM 1233 OE1 GLU A 79 6.326 1.981 -10.552 1.00 2.54 O ATOM 1234 OE2 GLU A 79 5.402 3.921 -10.125 1.00 2.57 O ATOM 0 H GLU A 79 7.071 4.521 -6.632 1.00 0.36 H new ATOM 0 HA GLU A 79 5.961 2.144 -7.846 1.00 0.42 H new ATOM 0 HB2 GLU A 79 8.774 3.241 -7.600 1.00 0.51 H new ATOM 0 HB3 GLU A 79 8.360 1.786 -8.485 1.00 0.51 H new ATOM 0 HG2 GLU A 79 7.533 4.634 -9.082 1.00 0.64 H new ATOM 0 HG3 GLU A 79 8.471 3.546 -10.086 1.00 0.64 H new ATOM 1241 N PHE A 80 7.553 2.029 -5.029 1.00 0.28 N ATOM 1242 CA PHE A 80 7.786 1.202 -3.870 1.00 0.25 C ATOM 1243 C PHE A 80 6.448 0.757 -3.289 1.00 0.23 C ATOM 1244 O PHE A 80 6.361 -0.245 -2.586 1.00 0.26 O ATOM 1245 CB PHE A 80 8.610 1.964 -2.835 1.00 0.31 C ATOM 1246 CG PHE A 80 9.646 1.112 -2.168 1.00 0.71 C ATOM 1247 CD1 PHE A 80 10.632 0.497 -2.917 1.00 1.60 C ATOM 1248 CD2 PHE A 80 9.634 0.921 -0.803 1.00 1.26 C ATOM 1249 CE1 PHE A 80 11.588 -0.290 -2.312 1.00 1.98 C ATOM 1250 CE2 PHE A 80 10.586 0.135 -0.192 1.00 1.56 C ATOM 1251 CZ PHE A 80 11.566 -0.473 -0.948 1.00 1.64 C ATOM 0 H PHE A 80 7.760 3.018 -4.889 1.00 0.28 H new ATOM 0 HA PHE A 80 8.352 0.317 -4.160 1.00 0.25 H new ATOM 0 HB2 PHE A 80 9.099 2.809 -3.319 1.00 0.31 H new ATOM 0 HB3 PHE A 80 7.942 2.374 -2.077 1.00 0.31 H new ATOM 0 HD1 PHE A 80 10.653 0.635 -3.988 1.00 1.60 H new ATOM 0 HD2 PHE A 80 8.869 1.393 -0.205 1.00 1.26 H new ATOM 0 HE1 PHE A 80 12.354 -0.763 -2.908 1.00 1.98 H new ATOM 0 HE2 PHE A 80 10.565 -0.005 0.879 1.00 1.56 H new ATOM 0 HZ PHE A 80 12.313 -1.090 -0.472 1.00 1.64 H new ATOM 1261 N LEU A 81 5.398 1.514 -3.589 1.00 0.25 N ATOM 1262 CA LEU A 81 4.045 1.093 -3.261 1.00 0.26 C ATOM 1263 C LEU A 81 3.572 0.036 -4.232 1.00 0.26 C ATOM 1264 O LEU A 81 2.742 -0.795 -3.892 1.00 0.27 O ATOM 1265 CB LEU A 81 3.068 2.253 -3.286 1.00 0.29 C ATOM 1266 CG LEU A 81 3.235 3.275 -2.171 1.00 0.28 C ATOM 1267 CD1 LEU A 81 2.207 4.365 -2.327 1.00 0.34 C ATOM 1268 CD2 LEU A 81 3.121 2.607 -0.799 1.00 0.29 C ATOM 0 H LEU A 81 5.459 2.418 -4.057 1.00 0.25 H new ATOM 0 HA LEU A 81 4.076 0.687 -2.250 1.00 0.26 H new ATOM 0 HB2 LEU A 81 3.165 2.766 -4.243 1.00 0.29 H new ATOM 0 HB3 LEU A 81 2.055 1.853 -3.240 1.00 0.29 H new ATOM 0 HG LEU A 81 4.229 3.716 -2.240 1.00 0.28 H new ATOM 0 HD11 LEU A 81 2.328 5.096 -1.528 1.00 0.34 H new ATOM 0 HD12 LEU A 81 2.341 4.856 -3.291 1.00 0.34 H new ATOM 0 HD13 LEU A 81 1.208 3.933 -2.275 1.00 0.34 H new ATOM 0 HD21 LEU A 81 3.244 3.357 -0.018 1.00 0.29 H new ATOM 0 HD22 LEU A 81 2.141 2.139 -0.702 1.00 0.29 H new ATOM 0 HD23 LEU A 81 3.897 1.848 -0.698 1.00 0.29 H new ATOM 1280 N ASN A 82 4.083 0.083 -5.454 1.00 0.26 N ATOM 1281 CA ASN A 82 3.830 -0.979 -6.409 1.00 0.26 C ATOM 1282 C ASN A 82 4.442 -2.267 -5.888 1.00 0.23 C ATOM 1283 O ASN A 82 3.923 -3.362 -6.106 1.00 0.25 O ATOM 1284 CB ASN A 82 4.390 -0.624 -7.793 1.00 0.30 C ATOM 1285 CG ASN A 82 3.457 0.290 -8.565 1.00 0.79 C ATOM 1286 OD1 ASN A 82 2.241 0.264 -8.366 1.00 1.51 O ATOM 1287 ND2 ASN A 82 4.008 1.099 -9.452 1.00 1.42 N ATOM 0 H ASN A 82 4.671 0.840 -5.803 1.00 0.26 H new ATOM 0 HA ASN A 82 2.754 -1.110 -6.523 1.00 0.26 H new ATOM 0 HB2 ASN A 82 5.360 -0.140 -7.679 1.00 0.30 H new ATOM 0 HB3 ASN A 82 4.556 -1.538 -8.363 1.00 0.30 H new ATOM 0 HD21 ASN A 82 3.423 1.730 -9.999 1.00 1.42 H new ATOM 0 HD22 ASN A 82 5.019 1.093 -9.589 1.00 1.42 H new ATOM 1294 N LEU A 83 5.548 -2.113 -5.177 1.00 0.23 N ATOM 1295 CA LEU A 83 6.148 -3.204 -4.434 1.00 0.24 C ATOM 1296 C LEU A 83 5.177 -3.722 -3.386 1.00 0.23 C ATOM 1297 O LEU A 83 4.886 -4.918 -3.330 1.00 0.25 O ATOM 1298 CB LEU A 83 7.417 -2.724 -3.750 1.00 0.27 C ATOM 1299 CG LEU A 83 7.911 -3.626 -2.626 1.00 0.31 C ATOM 1300 CD1 LEU A 83 8.415 -4.943 -3.186 1.00 0.35 C ATOM 1301 CD2 LEU A 83 8.979 -2.925 -1.809 1.00 0.36 C ATOM 0 H LEU A 83 6.052 -1.230 -5.100 1.00 0.23 H new ATOM 0 HA LEU A 83 6.389 -4.009 -5.128 1.00 0.24 H new ATOM 0 HB2 LEU A 83 8.205 -2.632 -4.498 1.00 0.27 H new ATOM 0 HB3 LEU A 83 7.242 -1.726 -3.347 1.00 0.27 H new ATOM 0 HG LEU A 83 7.076 -3.844 -1.960 1.00 0.31 H new ATOM 0 HD11 LEU A 83 8.764 -5.576 -2.370 1.00 0.35 H new ATOM 0 HD12 LEU A 83 7.606 -5.447 -3.715 1.00 0.35 H new ATOM 0 HD13 LEU A 83 9.237 -4.754 -3.876 1.00 0.35 H new ATOM 0 HD21 LEU A 83 9.319 -3.585 -1.011 1.00 0.36 H new ATOM 0 HD22 LEU A 83 9.821 -2.670 -2.453 1.00 0.36 H new ATOM 0 HD23 LEU A 83 8.566 -2.015 -1.375 1.00 0.36 H new ATOM 1313 N ILE A 84 4.689 -2.805 -2.556 1.00 0.24 N ATOM 1314 CA ILE A 84 3.693 -3.122 -1.542 1.00 0.26 C ATOM 1315 C ILE A 84 2.480 -3.794 -2.184 1.00 0.27 C ATOM 1316 O ILE A 84 1.855 -4.660 -1.585 1.00 0.29 O ATOM 1317 CB ILE A 84 3.286 -1.846 -0.746 1.00 0.29 C ATOM 1318 CG1 ILE A 84 4.146 -1.705 0.516 1.00 0.55 C ATOM 1319 CG2 ILE A 84 1.807 -1.850 -0.377 1.00 0.47 C ATOM 1320 CD1 ILE A 84 5.637 -1.681 0.256 1.00 0.62 C ATOM 0 H ILE A 84 4.973 -1.825 -2.568 1.00 0.24 H new ATOM 0 HA ILE A 84 4.129 -3.823 -0.831 1.00 0.26 H new ATOM 0 HB ILE A 84 3.460 -0.989 -1.397 1.00 0.29 H new ATOM 0 HG12 ILE A 84 3.865 -0.787 1.032 1.00 0.55 H new ATOM 0 HG13 ILE A 84 3.920 -2.532 1.189 1.00 0.55 H new ATOM 0 HG21 ILE A 84 1.568 -0.942 0.177 1.00 0.47 H new ATOM 0 HG22 ILE A 84 1.206 -1.890 -1.285 1.00 0.47 H new ATOM 0 HG23 ILE A 84 1.589 -2.720 0.242 1.00 0.47 H new ATOM 0 HD11 ILE A 84 6.170 -1.579 1.202 1.00 0.62 H new ATOM 0 HD12 ILE A 84 5.936 -2.609 -0.231 1.00 0.62 H new ATOM 0 HD13 ILE A 84 5.880 -0.838 -0.390 1.00 0.62 H new ATOM 1332 N GLY A 85 2.186 -3.404 -3.418 1.00 0.26 N ATOM 1333 CA GLY A 85 1.146 -4.046 -4.190 1.00 0.29 C ATOM 1334 C GLY A 85 1.388 -5.531 -4.357 1.00 0.29 C ATOM 1335 O GLY A 85 0.500 -6.336 -4.105 1.00 0.33 O ATOM 0 H GLY A 85 2.660 -2.641 -3.902 1.00 0.26 H new ATOM 0 HA2 GLY A 85 0.185 -3.890 -3.701 1.00 0.29 H new ATOM 0 HA3 GLY A 85 1.084 -3.578 -5.172 1.00 0.29 H new ATOM 1339 N GLY A 86 2.605 -5.899 -4.737 1.00 0.28 N ATOM 1340 CA GLY A 86 2.908 -7.297 -4.976 1.00 0.31 C ATOM 1341 C GLY A 86 3.028 -8.063 -3.681 1.00 0.29 C ATOM 1342 O GLY A 86 2.633 -9.225 -3.588 1.00 0.35 O ATOM 0 H GLY A 86 3.385 -5.258 -4.883 1.00 0.28 H new ATOM 0 HA2 GLY A 86 2.126 -7.740 -5.592 1.00 0.31 H new ATOM 0 HA3 GLY A 86 3.839 -7.378 -5.536 1.00 0.31 H new ATOM 1346 N LEU A 87 3.566 -7.388 -2.679 1.00 0.25 N ATOM 1347 CA LEU A 87 3.726 -7.952 -1.349 1.00 0.25 C ATOM 1348 C LEU A 87 2.373 -8.250 -0.725 1.00 0.26 C ATOM 1349 O LEU A 87 2.044 -9.401 -0.429 1.00 0.29 O ATOM 1350 CB LEU A 87 4.455 -6.948 -0.472 1.00 0.25 C ATOM 1351 CG LEU A 87 5.939 -6.770 -0.756 1.00 0.26 C ATOM 1352 CD1 LEU A 87 6.428 -5.493 -0.107 1.00 0.26 C ATOM 1353 CD2 LEU A 87 6.728 -7.962 -0.238 1.00 0.35 C ATOM 0 H LEU A 87 3.905 -6.430 -2.765 1.00 0.25 H new ATOM 0 HA LEU A 87 4.293 -8.880 -1.428 1.00 0.25 H new ATOM 0 HB2 LEU A 87 3.966 -5.980 -0.578 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.338 -7.251 0.568 1.00 0.25 H new ATOM 0 HG LEU A 87 6.089 -6.705 -1.834 1.00 0.26 H new ATOM 0 HD11 LEU A 87 7.491 -5.365 -0.310 1.00 0.26 H new ATOM 0 HD12 LEU A 87 5.877 -4.645 -0.512 1.00 0.26 H new ATOM 0 HD13 LEU A 87 6.269 -5.548 0.970 1.00 0.26 H new ATOM 0 HD21 LEU A 87 7.787 -7.817 -0.450 1.00 0.35 H new ATOM 0 HD22 LEU A 87 6.583 -8.055 0.838 1.00 0.35 H new ATOM 0 HD23 LEU A 87 6.380 -8.870 -0.730 1.00 0.35 H new ATOM 1365 N ALA A 88 1.591 -7.190 -0.564 1.00 0.25 N ATOM 1366 CA ALA A 88 0.281 -7.264 0.058 1.00 0.27 C ATOM 1367 C ALA A 88 -0.557 -8.323 -0.581 1.00 0.30 C ATOM 1368 O ALA A 88 -1.253 -9.079 0.082 1.00 0.35 O ATOM 1369 CB ALA A 88 -0.444 -5.947 -0.097 1.00 0.27 C ATOM 0 H ALA A 88 1.852 -6.251 -0.864 1.00 0.25 H new ATOM 0 HA ALA A 88 0.433 -7.499 1.112 1.00 0.27 H new ATOM 0 HB1 ALA A 88 -1.425 -6.014 0.373 1.00 0.27 H new ATOM 0 HB2 ALA A 88 0.134 -5.155 0.380 1.00 0.27 H new ATOM 0 HB3 ALA A 88 -0.564 -5.720 -1.156 1.00 0.27 H new ATOM 1375 N MET A 89 -0.484 -8.354 -1.884 1.00 0.29 N ATOM 1376 CA MET A 89 -1.342 -9.193 -2.663 1.00 0.33 C ATOM 1377 C MET A 89 -0.889 -10.624 -2.655 1.00 0.34 C ATOM 1378 O MET A 89 -1.698 -11.524 -2.779 1.00 0.39 O ATOM 1379 CB MET A 89 -1.423 -8.638 -4.044 1.00 0.35 C ATOM 1380 CG MET A 89 -2.271 -7.399 -4.064 1.00 0.42 C ATOM 1381 SD MET A 89 -3.882 -7.648 -3.294 1.00 1.03 S ATOM 1382 CE MET A 89 -3.606 -7.042 -1.629 1.00 1.89 C ATOM 0 H MET A 89 0.173 -7.798 -2.432 1.00 0.29 H new ATOM 0 HA MET A 89 -2.338 -9.199 -2.220 1.00 0.33 H new ATOM 0 HB2 MET A 89 -0.422 -8.407 -4.409 1.00 0.35 H new ATOM 0 HB3 MET A 89 -1.843 -9.384 -4.718 1.00 0.35 H new ATOM 0 HG2 MET A 89 -1.746 -6.596 -3.547 1.00 0.42 H new ATOM 0 HG3 MET A 89 -2.412 -7.076 -5.096 1.00 0.42 H new ATOM 0 HE1 MET A 89 -4.097 -7.703 -0.915 1.00 1.89 H new ATOM 0 HE2 MET A 89 -2.536 -7.017 -1.424 1.00 1.89 H new ATOM 0 HE3 MET A 89 -4.017 -6.037 -1.535 1.00 1.89 H new ATOM 1392 N ALA A 90 0.398 -10.831 -2.487 1.00 0.34 N ATOM 1393 CA ALA A 90 0.921 -12.174 -2.304 1.00 0.40 C ATOM 1394 C ALA A 90 0.380 -12.760 -1.003 1.00 0.42 C ATOM 1395 O ALA A 90 0.007 -13.933 -0.937 1.00 0.49 O ATOM 1396 CB ALA A 90 2.440 -12.161 -2.301 1.00 0.46 C ATOM 0 H ALA A 90 1.102 -10.093 -2.473 1.00 0.34 H new ATOM 0 HA ALA A 90 0.595 -12.800 -3.135 1.00 0.40 H new ATOM 0 HB1 ALA A 90 2.812 -13.176 -2.163 1.00 0.46 H new ATOM 0 HB2 ALA A 90 2.802 -11.768 -3.251 1.00 0.46 H new ATOM 0 HB3 ALA A 90 2.797 -11.530 -1.487 1.00 0.46 H new ATOM 1402 N CYS A 91 0.307 -11.914 0.019 1.00 0.41 N ATOM 1403 CA CYS A 91 -0.193 -12.316 1.324 1.00 0.47 C ATOM 1404 C CYS A 91 -1.719 -12.421 1.311 1.00 0.45 C ATOM 1405 O CYS A 91 -2.281 -13.352 1.874 1.00 0.51 O ATOM 1406 CB CYS A 91 0.266 -11.326 2.398 1.00 0.55 C ATOM 1407 SG CYS A 91 -0.159 -11.813 4.085 1.00 1.76 S ATOM 0 H CYS A 91 0.592 -10.936 -0.035 1.00 0.41 H new ATOM 0 HA CYS A 91 0.214 -13.299 1.559 1.00 0.47 H new ATOM 0 HB2 CYS A 91 1.347 -11.207 2.328 1.00 0.55 H new ATOM 0 HB3 CYS A 91 -0.176 -10.352 2.191 1.00 0.55 H new ATOM 0 HG CYS A 91 0.273 -10.914 4.918 1.00 1.76 H new ATOM 1413 N HIS A 92 -2.384 -11.462 0.671 1.00 0.41 N ATOM 1414 CA HIS A 92 -3.838 -11.503 0.506 1.00 0.46 C ATOM 1415 C HIS A 92 -4.241 -12.737 -0.287 1.00 0.45 C ATOM 1416 O HIS A 92 -5.197 -13.424 0.052 1.00 0.49 O ATOM 1417 CB HIS A 92 -4.347 -10.221 -0.194 1.00 0.54 C ATOM 1418 CG HIS A 92 -5.314 -10.457 -1.332 1.00 1.21 C ATOM 1419 ND1 HIS A 92 -6.665 -10.665 -1.154 1.00 2.13 N ATOM 1420 CD2 HIS A 92 -5.100 -10.542 -2.667 1.00 1.96 C ATOM 1421 CE1 HIS A 92 -7.235 -10.870 -2.330 1.00 2.74 C ATOM 1422 NE2 HIS A 92 -6.307 -10.799 -3.262 1.00 2.62 N ATOM 0 H HIS A 92 -1.939 -10.643 0.256 1.00 0.41 H new ATOM 0 HA HIS A 92 -4.296 -11.555 1.494 1.00 0.46 H new ATOM 0 HB2 HIS A 92 -4.831 -9.587 0.549 1.00 0.54 H new ATOM 0 HB3 HIS A 92 -3.489 -9.668 -0.575 1.00 0.54 H new ATOM 0 HD2 HIS A 92 -4.151 -10.428 -3.170 1.00 1.96 H new ATOM 0 HE1 HIS A 92 -8.284 -11.063 -2.498 1.00 2.74 H new ATOM 0 HE2 HIS A 92 -6.462 -10.916 -4.263 1.00 2.62 H new ATOM 1431 N ASP A 93 -3.505 -12.992 -1.349 1.00 0.45 N ATOM 1432 CA ASP A 93 -3.779 -14.112 -2.225 1.00 0.52 C ATOM 1433 C ASP A 93 -3.587 -15.415 -1.463 1.00 0.56 C ATOM 1434 O ASP A 93 -4.310 -16.384 -1.670 1.00 0.65 O ATOM 1435 CB ASP A 93 -2.863 -14.027 -3.447 1.00 0.54 C ATOM 1436 CG ASP A 93 -3.041 -15.177 -4.409 1.00 0.93 C ATOM 1437 OD1 ASP A 93 -4.069 -15.216 -5.112 1.00 1.48 O ATOM 1438 OD2 ASP A 93 -2.131 -16.033 -4.479 1.00 1.75 O ATOM 0 H ASP A 93 -2.701 -12.430 -1.629 1.00 0.45 H new ATOM 0 HA ASP A 93 -4.812 -14.081 -2.572 1.00 0.52 H new ATOM 0 HB2 ASP A 93 -3.055 -13.091 -3.971 1.00 0.54 H new ATOM 0 HB3 ASP A 93 -1.826 -13.999 -3.113 1.00 0.54 H new ATOM 1443 N SER A 94 -2.634 -15.405 -0.541 1.00 0.54 N ATOM 1444 CA SER A 94 -2.422 -16.524 0.361 1.00 0.60 C ATOM 1445 C SER A 94 -3.592 -16.623 1.326 1.00 0.63 C ATOM 1446 O SER A 94 -4.130 -17.693 1.558 1.00 0.70 O ATOM 1447 CB SER A 94 -1.136 -16.316 1.154 1.00 0.65 C ATOM 1448 OG SER A 94 -0.701 -17.521 1.761 1.00 1.27 O ATOM 0 H SER A 94 -1.991 -14.626 -0.399 1.00 0.54 H new ATOM 0 HA SER A 94 -2.343 -17.442 -0.222 1.00 0.60 H new ATOM 0 HB2 SER A 94 -0.356 -15.938 0.493 1.00 0.65 H new ATOM 0 HB3 SER A 94 -1.298 -15.559 1.921 1.00 0.65 H new ATOM 0 HG SER A 94 0.126 -17.356 2.260 1.00 1.27 H new ATOM 1454 N PHE A 95 -3.974 -15.472 1.860 1.00 0.60 N ATOM 1455 CA PHE A 95 -5.065 -15.349 2.812 1.00 0.66 C ATOM 1456 C PHE A 95 -6.342 -15.941 2.230 1.00 0.72 C ATOM 1457 O PHE A 95 -7.087 -16.626 2.916 1.00 0.84 O ATOM 1458 CB PHE A 95 -5.254 -13.861 3.149 1.00 0.64 C ATOM 1459 CG PHE A 95 -6.208 -13.574 4.269 1.00 0.78 C ATOM 1460 CD1 PHE A 95 -5.984 -14.081 5.539 1.00 1.30 C ATOM 1461 CD2 PHE A 95 -7.313 -12.769 4.057 1.00 1.80 C ATOM 1462 CE1 PHE A 95 -6.849 -13.790 6.575 1.00 1.76 C ATOM 1463 CE2 PHE A 95 -8.182 -12.478 5.087 1.00 2.35 C ATOM 1464 CZ PHE A 95 -7.952 -12.987 6.347 1.00 2.08 C ATOM 0 H PHE A 95 -3.526 -14.583 1.639 1.00 0.60 H new ATOM 0 HA PHE A 95 -4.831 -15.900 3.723 1.00 0.66 H new ATOM 0 HB2 PHE A 95 -4.283 -13.437 3.403 1.00 0.64 H new ATOM 0 HB3 PHE A 95 -5.603 -13.344 2.255 1.00 0.64 H new ATOM 0 HD1 PHE A 95 -5.125 -14.710 5.720 1.00 1.30 H new ATOM 0 HD2 PHE A 95 -7.497 -12.364 3.073 1.00 1.80 H new ATOM 0 HE1 PHE A 95 -6.665 -14.189 7.562 1.00 1.76 H new ATOM 0 HE2 PHE A 95 -9.043 -11.851 4.907 1.00 2.35 H new ATOM 0 HZ PHE A 95 -8.632 -12.759 7.155 1.00 2.08 H new ATOM 1474 N LEU A 96 -6.552 -15.698 0.947 1.00 0.69 N ATOM 1475 CA LEU A 96 -7.728 -16.186 0.238 1.00 0.81 C ATOM 1476 C LEU A 96 -7.654 -17.689 0.014 1.00 0.90 C ATOM 1477 O LEU A 96 -8.657 -18.400 0.117 1.00 1.09 O ATOM 1478 CB LEU A 96 -7.859 -15.462 -1.103 1.00 0.83 C ATOM 1479 CG LEU A 96 -8.753 -14.220 -1.102 1.00 0.87 C ATOM 1480 CD1 LEU A 96 -10.210 -14.611 -0.931 1.00 1.21 C ATOM 1481 CD2 LEU A 96 -8.332 -13.252 -0.006 1.00 1.08 C ATOM 0 H LEU A 96 -5.913 -15.157 0.365 1.00 0.69 H new ATOM 0 HA LEU A 96 -8.606 -15.981 0.851 1.00 0.81 H new ATOM 0 HB2 LEU A 96 -6.863 -15.170 -1.436 1.00 0.83 H new ATOM 0 HB3 LEU A 96 -8.247 -16.166 -1.839 1.00 0.83 H new ATOM 0 HG LEU A 96 -8.639 -13.720 -2.064 1.00 0.87 H new ATOM 0 HD11 LEU A 96 -10.830 -13.714 -0.933 1.00 1.21 H new ATOM 0 HD12 LEU A 96 -10.511 -15.262 -1.752 1.00 1.21 H new ATOM 0 HD13 LEU A 96 -10.337 -15.138 0.015 1.00 1.21 H new ATOM 0 HD21 LEU A 96 -8.981 -12.377 -0.024 1.00 1.08 H new ATOM 0 HD22 LEU A 96 -8.412 -13.743 0.964 1.00 1.08 H new ATOM 0 HD23 LEU A 96 -7.300 -12.942 -0.171 1.00 1.08 H new ATOM 1493 N LYS A 97 -6.459 -18.164 -0.283 1.00 0.83 N ATOM 1494 CA LYS A 97 -6.233 -19.574 -0.549 1.00 0.93 C ATOM 1495 C LYS A 97 -6.162 -20.371 0.750 1.00 0.97 C ATOM 1496 O LYS A 97 -6.419 -21.576 0.772 1.00 1.12 O ATOM 1497 CB LYS A 97 -4.947 -19.734 -1.349 1.00 0.93 C ATOM 1498 CG LYS A 97 -5.066 -19.149 -2.739 1.00 0.99 C ATOM 1499 CD LYS A 97 -3.743 -19.123 -3.463 1.00 1.25 C ATOM 1500 CE LYS A 97 -3.952 -18.688 -4.896 1.00 2.06 C ATOM 1501 NZ LYS A 97 -2.672 -18.375 -5.577 1.00 2.65 N ATOM 0 H LYS A 97 -5.620 -17.587 -0.347 1.00 0.83 H new ATOM 0 HA LYS A 97 -7.070 -19.965 -1.128 1.00 0.93 H new ATOM 0 HB2 LYS A 97 -4.128 -19.247 -0.820 1.00 0.93 H new ATOM 0 HB3 LYS A 97 -4.695 -20.792 -1.422 1.00 0.93 H new ATOM 0 HG2 LYS A 97 -5.783 -19.733 -3.317 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -5.461 -18.135 -2.672 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -3.057 -18.440 -2.962 1.00 1.25 H new ATOM 0 HD3 LYS A 97 -3.284 -20.111 -3.437 1.00 1.25 H new ATOM 0 HE2 LYS A 97 -4.469 -19.477 -5.442 1.00 2.06 H new ATOM 0 HE3 LYS A 97 -4.598 -17.810 -4.917 1.00 2.06 H new ATOM 0 HZ1 LYS A 97 -2.831 -18.314 -6.603 1.00 2.65 H new ATOM 0 HZ2 LYS A 97 -2.306 -17.466 -5.228 1.00 2.65 H new ATOM 0 HZ3 LYS A 97 -1.980 -19.126 -5.378 1.00 2.65 H new ATOM 1515 N ALA A 98 -5.816 -19.681 1.826 1.00 0.99 N ATOM 1516 CA ALA A 98 -5.668 -20.302 3.131 1.00 1.06 C ATOM 1517 C ALA A 98 -6.969 -20.249 3.924 1.00 1.09 C ATOM 1518 O ALA A 98 -7.588 -21.282 4.188 1.00 1.23 O ATOM 1519 CB ALA A 98 -4.546 -19.626 3.908 1.00 1.00 C ATOM 0 H ALA A 98 -5.631 -18.678 1.818 1.00 0.99 H new ATOM 0 HA ALA A 98 -5.415 -21.351 2.978 1.00 1.06 H new ATOM 0 HB1 ALA A 98 -4.443 -20.099 4.885 1.00 1.00 H new ATOM 0 HB2 ALA A 98 -3.611 -19.725 3.357 1.00 1.00 H new ATOM 0 HB3 ALA A 98 -4.780 -18.569 4.039 1.00 1.00 H new ATOM 1525 N VAL A 99 -7.383 -19.042 4.290 1.00 1.00 N ATOM 1526 CA VAL A 99 -8.578 -18.836 5.099 1.00 1.06 C ATOM 1527 C VAL A 99 -8.841 -17.335 5.270 1.00 1.00 C ATOM 1528 O VAL A 99 -8.367 -16.689 6.206 1.00 1.01 O ATOM 1529 CB VAL A 99 -8.477 -19.547 6.477 1.00 1.16 C ATOM 1530 CG1 VAL A 99 -7.223 -19.132 7.238 1.00 1.13 C ATOM 1531 CG2 VAL A 99 -9.727 -19.290 7.307 1.00 1.24 C ATOM 0 H VAL A 99 -6.901 -18.180 4.035 1.00 1.00 H new ATOM 0 HA VAL A 99 -9.421 -19.285 4.575 1.00 1.06 H new ATOM 0 HB VAL A 99 -8.401 -20.618 6.289 1.00 1.16 H new ATOM 0 HG11 VAL A 99 -7.190 -19.651 8.196 1.00 1.13 H new ATOM 0 HG12 VAL A 99 -6.340 -19.392 6.654 1.00 1.13 H new ATOM 0 HG13 VAL A 99 -7.241 -18.056 7.409 1.00 1.13 H new ATOM 0 HG21 VAL A 99 -9.636 -19.796 8.268 1.00 1.24 H new ATOM 0 HG22 VAL A 99 -9.841 -18.218 7.471 1.00 1.24 H new ATOM 0 HG23 VAL A 99 -10.600 -19.671 6.777 1.00 1.24 H new ATOM 1541 N PRO A 100 -9.610 -16.759 4.345 1.00 1.00 N ATOM 1542 CA PRO A 100 -9.831 -15.325 4.285 1.00 1.02 C ATOM 1543 C PRO A 100 -11.005 -14.872 5.140 1.00 1.28 C ATOM 1544 O PRO A 100 -11.717 -13.929 4.795 1.00 1.60 O ATOM 1545 CB PRO A 100 -10.098 -15.093 2.804 1.00 1.04 C ATOM 1546 CG PRO A 100 -10.700 -16.370 2.303 1.00 1.03 C ATOM 1547 CD PRO A 100 -10.330 -17.462 3.277 1.00 1.06 C ATOM 0 HA PRO A 100 -8.988 -14.755 4.677 1.00 1.02 H new ATOM 0 HB2 PRO A 100 -10.777 -14.253 2.654 1.00 1.04 H new ATOM 0 HB3 PRO A 100 -9.177 -14.857 2.271 1.00 1.04 H new ATOM 0 HG2 PRO A 100 -11.783 -16.278 2.225 1.00 1.03 H new ATOM 0 HG3 PRO A 100 -10.327 -16.604 1.306 1.00 1.03 H new ATOM 0 HD2 PRO A 100 -11.214 -17.971 3.660 1.00 1.06 H new ATOM 0 HD3 PRO A 100 -9.704 -18.221 2.807 1.00 1.06 H new ATOM 1555 N SER A 101 -11.190 -15.546 6.262 1.00 1.57 N ATOM 1556 CA SER A 101 -12.228 -15.184 7.208 1.00 1.88 C ATOM 1557 C SER A 101 -11.600 -14.419 8.376 1.00 1.62 C ATOM 1558 O SER A 101 -12.299 -13.935 9.271 1.00 1.94 O ATOM 1559 CB SER A 101 -12.942 -16.449 7.693 1.00 2.76 C ATOM 1560 OG SER A 101 -14.149 -16.145 8.371 1.00 3.39 O ATOM 0 H SER A 101 -10.630 -16.352 6.540 1.00 1.57 H new ATOM 0 HA SER A 101 -12.966 -14.540 6.730 1.00 1.88 H new ATOM 0 HB2 SER A 101 -13.156 -17.095 6.841 1.00 2.76 H new ATOM 0 HB3 SER A 101 -12.282 -17.007 8.358 1.00 2.76 H new ATOM 0 HG SER A 101 -14.418 -16.911 8.920 1.00 3.39 H new ATOM 1566 N GLN A 102 -10.267 -14.310 8.331 1.00 1.61 N ATOM 1567 CA GLN A 102 -9.474 -13.575 9.323 1.00 2.12 C ATOM 1568 C GLN A 102 -9.464 -14.286 10.675 1.00 2.74 C ATOM 1569 O GLN A 102 -8.473 -14.916 11.046 1.00 3.39 O ATOM 1570 CB GLN A 102 -9.973 -12.132 9.482 1.00 2.47 C ATOM 1571 CG GLN A 102 -9.099 -11.289 10.398 1.00 3.02 C ATOM 1572 CD GLN A 102 -9.667 -9.907 10.665 1.00 3.87 C ATOM 1573 OE1 GLN A 102 -9.445 -9.337 11.731 1.00 4.45 O ATOM 1574 NE2 GLN A 102 -10.407 -9.362 9.712 1.00 4.44 N ATOM 0 H GLN A 102 -9.702 -14.735 7.596 1.00 1.61 H new ATOM 0 HA GLN A 102 -8.450 -13.544 8.950 1.00 2.12 H new ATOM 0 HB2 GLN A 102 -10.018 -11.661 8.500 1.00 2.47 H new ATOM 0 HB3 GLN A 102 -10.989 -12.148 9.875 1.00 2.47 H new ATOM 0 HG2 GLN A 102 -8.970 -11.811 11.346 1.00 3.02 H new ATOM 0 HG3 GLN A 102 -8.109 -11.188 9.952 1.00 3.02 H new ATOM 0 HE21 GLN A 102 -10.569 -9.867 8.840 1.00 4.44 H new ATOM 0 HE22 GLN A 102 -10.815 -8.437 9.849 1.00 4.44 H new ATOM 1583 N LYS A 103 -10.559 -14.176 11.406 1.00 3.15 N ATOM 1584 CA LYS A 103 -10.673 -14.808 12.709 1.00 4.06 C ATOM 1585 C LYS A 103 -11.291 -16.186 12.553 1.00 4.57 C ATOM 1586 O LYS A 103 -12.516 -16.323 12.542 1.00 5.24 O ATOM 1587 CB LYS A 103 -11.523 -13.946 13.648 1.00 4.73 C ATOM 1588 CG LYS A 103 -10.975 -12.543 13.864 1.00 5.30 C ATOM 1589 CD LYS A 103 -9.606 -12.569 14.526 1.00 6.25 C ATOM 1590 CE LYS A 103 -9.075 -11.164 14.773 1.00 6.82 C ATOM 1591 NZ LYS A 103 -9.947 -10.388 15.698 1.00 7.43 N ATOM 0 H LYS A 103 -11.386 -13.652 11.118 1.00 3.15 H new ATOM 0 HA LYS A 103 -9.679 -14.909 13.144 1.00 4.06 H new ATOM 0 HB2 LYS A 103 -12.532 -13.873 13.243 1.00 4.73 H new ATOM 0 HB3 LYS A 103 -11.602 -14.447 14.613 1.00 4.73 H new ATOM 0 HG2 LYS A 103 -10.906 -12.028 12.906 1.00 5.30 H new ATOM 0 HG3 LYS A 103 -11.668 -11.973 14.483 1.00 5.30 H new ATOM 0 HD2 LYS A 103 -9.669 -13.106 15.472 1.00 6.25 H new ATOM 0 HD3 LYS A 103 -8.907 -13.117 13.895 1.00 6.25 H new ATOM 0 HE2 LYS A 103 -8.070 -11.225 15.190 1.00 6.82 H new ATOM 0 HE3 LYS A 103 -8.995 -10.636 13.823 1.00 6.82 H new ATOM 0 HZ1 LYS A 103 -9.446 -9.532 16.011 1.00 7.43 H new ATOM 0 HZ2 LYS A 103 -10.821 -10.116 15.205 1.00 7.43 H new ATOM 0 HZ3 LYS A 103 -10.183 -10.973 16.525 1.00 7.43 H new ATOM 1605 N ARG A 104 -10.436 -17.198 12.411 1.00 4.68 N ATOM 1606 CA ARG A 104 -10.880 -18.572 12.183 1.00 5.53 C ATOM 1607 C ARG A 104 -11.602 -18.671 10.842 1.00 5.66 C ATOM 1608 O ARG A 104 -11.474 -17.787 9.997 1.00 5.96 O ATOM 1609 CB ARG A 104 -11.792 -19.043 13.323 1.00 6.11 C ATOM 1610 CG ARG A 104 -11.105 -19.065 14.678 1.00 6.81 C ATOM 1611 CD ARG A 104 -12.089 -19.359 15.795 1.00 7.63 C ATOM 1612 NE ARG A 104 -13.102 -18.312 15.927 1.00 8.13 N ATOM 1613 CZ ARG A 104 -13.815 -18.101 17.032 1.00 8.95 C ATOM 1614 NH1 ARG A 104 -13.645 -18.876 18.097 1.00 9.34 N ATOM 1615 NH2 ARG A 104 -14.700 -17.115 17.071 1.00 9.59 N ATOM 0 H ARG A 104 -9.423 -17.090 12.450 1.00 4.68 H new ATOM 0 HA ARG A 104 -10.006 -19.222 12.160 1.00 5.53 H new ATOM 0 HB2 ARG A 104 -12.662 -18.388 13.376 1.00 6.11 H new ATOM 0 HB3 ARG A 104 -12.159 -20.043 13.094 1.00 6.11 H new ATOM 0 HG2 ARG A 104 -10.319 -19.820 14.676 1.00 6.81 H new ATOM 0 HG3 ARG A 104 -10.624 -18.104 14.859 1.00 6.81 H new ATOM 0 HD2 ARG A 104 -12.578 -20.314 15.604 1.00 7.63 H new ATOM 0 HD3 ARG A 104 -11.548 -19.460 16.736 1.00 7.63 H new ATOM 0 HE ARG A 104 -13.273 -17.707 15.124 1.00 8.13 H new ATOM 0 HH11 ARG A 104 -12.966 -19.637 18.071 1.00 9.34 H new ATOM 0 HH12 ARG A 104 -14.193 -18.710 18.941 1.00 9.34 H new ATOM 0 HH21 ARG A 104 -14.835 -16.518 16.255 1.00 9.59 H new ATOM 0 HH22 ARG A 104 -15.246 -16.953 17.917 1.00 9.59 H new ATOM 1629 N THR A 105 -12.342 -19.748 10.639 1.00 5.79 N ATOM 1630 CA THR A 105 -13.102 -19.921 9.416 1.00 6.20 C ATOM 1631 C THR A 105 -14.573 -19.595 9.657 1.00 6.46 C ATOM 1632 O THR A 105 -15.292 -20.450 10.216 1.00 6.80 O ATOM 1633 CB THR A 105 -12.966 -21.356 8.878 1.00 6.59 C ATOM 1634 OG1 THR A 105 -11.584 -21.735 8.870 1.00 6.66 O ATOM 1635 CG2 THR A 105 -13.531 -21.465 7.469 1.00 7.00 C ATOM 1636 OXT THR A 105 -15.000 -18.472 9.314 1.00 6.62 O ATOM 0 H THR A 105 -12.432 -20.515 11.306 1.00 5.79 H new ATOM 0 HA THR A 105 -12.700 -19.235 8.671 1.00 6.20 H new ATOM 0 HB THR A 105 -13.531 -22.024 9.529 1.00 6.59 H new ATOM 0 HG1 THR A 105 -11.498 -22.650 8.529 1.00 6.66 H new ATOM 0 HG21 THR A 105 -13.423 -22.489 7.112 1.00 7.00 H new ATOM 0 HG22 THR A 105 -14.587 -21.194 7.478 1.00 7.00 H new ATOM 0 HG23 THR A 105 -12.989 -20.790 6.806 1.00 7.00 H new TER 1644 THR A 105 ATOM 1645 N MET B 1 6.442 -7.966 22.694 1.00 7.64 N ATOM 1646 CA MET B 1 6.530 -7.347 21.352 1.00 7.05 C ATOM 1647 C MET B 1 5.728 -6.054 21.306 1.00 6.85 C ATOM 1648 O MET B 1 4.514 -6.071 21.106 1.00 7.13 O ATOM 1649 CB MET B 1 6.010 -8.310 20.280 1.00 7.11 C ATOM 1650 CG MET B 1 6.896 -9.524 20.052 1.00 7.39 C ATOM 1651 SD MET B 1 8.502 -9.092 19.358 1.00 7.66 S ATOM 1652 CE MET B 1 9.211 -10.719 19.110 1.00 7.91 C ATOM 0 H1 MET B 1 7.087 -8.780 22.744 1.00 7.64 H new ATOM 0 H2 MET B 1 6.709 -7.268 23.417 1.00 7.64 H new ATOM 0 H3 MET B 1 5.467 -8.286 22.866 1.00 7.64 H new ATOM 0 HA MET B 1 7.578 -7.124 21.152 1.00 7.05 H new ATOM 0 HB2 MET B 1 5.014 -8.649 20.564 1.00 7.11 H new ATOM 0 HB3 MET B 1 5.906 -7.768 19.340 1.00 7.11 H new ATOM 0 HG2 MET B 1 7.042 -10.045 20.998 1.00 7.39 H new ATOM 0 HG3 MET B 1 6.389 -10.218 19.381 1.00 7.39 H new ATOM 0 HE1 MET B 1 10.209 -10.620 18.684 1.00 7.91 H new ATOM 0 HE2 MET B 1 9.275 -11.238 20.066 1.00 7.91 H new ATOM 0 HE3 MET B 1 8.581 -11.290 18.428 1.00 7.91 H new ATOM 1664 N ALA B 2 6.408 -4.934 21.495 1.00 6.68 N ATOM 1665 CA ALA B 2 5.755 -3.635 21.468 1.00 6.74 C ATOM 1666 C ALA B 2 5.674 -3.108 20.042 1.00 6.15 C ATOM 1667 O ALA B 2 4.682 -2.495 19.646 1.00 6.28 O ATOM 1668 CB ALA B 2 6.494 -2.650 22.362 1.00 7.32 C ATOM 0 H ALA B 2 7.412 -4.899 21.669 1.00 6.68 H new ATOM 0 HA ALA B 2 4.740 -3.750 21.849 1.00 6.74 H new ATOM 0 HB1 ALA B 2 5.992 -1.683 22.330 1.00 7.32 H new ATOM 0 HB2 ALA B 2 6.500 -3.022 23.386 1.00 7.32 H new ATOM 0 HB3 ALA B 2 7.520 -2.538 22.010 1.00 7.32 H new ATOM 1674 N LYS B 3 6.717 -3.367 19.267 1.00 5.79 N ATOM 1675 CA LYS B 3 6.769 -2.930 17.880 1.00 5.53 C ATOM 1676 C LYS B 3 7.550 -3.932 17.040 1.00 5.00 C ATOM 1677 O LYS B 3 8.601 -4.418 17.465 1.00 5.14 O ATOM 1678 CB LYS B 3 7.408 -1.538 17.777 1.00 6.01 C ATOM 1679 CG LYS B 3 8.827 -1.466 18.324 1.00 6.28 C ATOM 1680 CD LYS B 3 9.412 -0.069 18.190 1.00 6.97 C ATOM 1681 CE LYS B 3 10.828 -0.004 18.739 1.00 7.46 C ATOM 1682 NZ LYS B 3 11.769 -0.863 17.968 1.00 7.93 N ATOM 0 H LYS B 3 7.542 -3.880 19.577 1.00 5.79 H new ATOM 0 HA LYS B 3 5.750 -2.871 17.498 1.00 5.53 H new ATOM 0 HB2 LYS B 3 7.417 -1.230 16.731 1.00 6.01 H new ATOM 0 HB3 LYS B 3 6.785 -0.823 18.315 1.00 6.01 H new ATOM 0 HG2 LYS B 3 8.828 -1.762 19.373 1.00 6.28 H new ATOM 0 HG3 LYS B 3 9.459 -2.177 17.792 1.00 6.28 H new ATOM 0 HD2 LYS B 3 9.413 0.227 17.141 1.00 6.97 H new ATOM 0 HD3 LYS B 3 8.781 0.643 18.722 1.00 6.97 H new ATOM 0 HE2 LYS B 3 11.178 1.028 18.716 1.00 7.46 H new ATOM 0 HE3 LYS B 3 10.826 -0.316 19.783 1.00 7.46 H new ATOM 0 HZ1 LYS B 3 12.746 -0.649 18.252 1.00 7.93 H new ATOM 0 HZ2 LYS B 3 11.563 -1.864 18.161 1.00 7.93 H new ATOM 0 HZ3 LYS B 3 11.656 -0.676 16.951 1.00 7.93 H new ATOM 1696 N ILE B 4 7.023 -4.242 15.859 1.00 4.75 N ATOM 1697 CA ILE B 4 7.665 -5.177 14.938 1.00 4.41 C ATOM 1698 C ILE B 4 7.826 -6.549 15.593 1.00 3.66 C ATOM 1699 O ILE B 4 8.924 -6.939 16.003 1.00 3.91 O ATOM 1700 CB ILE B 4 9.043 -4.650 14.465 1.00 5.15 C ATOM 1701 CG1 ILE B 4 8.905 -3.227 13.912 1.00 5.78 C ATOM 1702 CG2 ILE B 4 9.640 -5.575 13.408 1.00 5.59 C ATOM 1703 CD1 ILE B 4 10.229 -2.569 13.587 1.00 6.54 C ATOM 0 H ILE B 4 6.144 -3.855 15.514 1.00 4.75 H new ATOM 0 HA ILE B 4 7.021 -5.273 14.064 1.00 4.41 H new ATOM 0 HB ILE B 4 9.717 -4.629 15.322 1.00 5.15 H new ATOM 0 HG12 ILE B 4 8.292 -3.255 13.011 1.00 5.78 H new ATOM 0 HG13 ILE B 4 8.374 -2.614 14.640 1.00 5.78 H new ATOM 0 HG21 ILE B 4 10.607 -5.187 13.089 1.00 5.59 H new ATOM 0 HG22 ILE B 4 9.770 -6.572 13.829 1.00 5.59 H new ATOM 0 HG23 ILE B 4 8.970 -5.628 12.550 1.00 5.59 H new ATOM 0 HD11 ILE B 4 10.051 -1.565 13.201 1.00 6.54 H new ATOM 0 HD12 ILE B 4 10.836 -2.508 14.490 1.00 6.54 H new ATOM 0 HD13 ILE B 4 10.754 -3.159 12.836 1.00 6.54 H new ATOM 1715 N SER B 5 6.719 -7.268 15.714 1.00 3.24 N ATOM 1716 CA SER B 5 6.726 -8.590 16.316 1.00 2.93 C ATOM 1717 C SER B 5 7.323 -9.611 15.353 1.00 2.01 C ATOM 1718 O SER B 5 8.471 -10.033 15.502 1.00 2.25 O ATOM 1719 CB SER B 5 5.302 -8.984 16.715 1.00 3.70 C ATOM 1720 OG SER B 5 4.398 -8.773 15.640 1.00 4.46 O ATOM 0 H SER B 5 5.801 -6.954 15.401 1.00 3.24 H new ATOM 0 HA SER B 5 7.347 -8.571 17.212 1.00 2.93 H new ATOM 0 HB2 SER B 5 5.280 -10.032 17.013 1.00 3.70 H new ATOM 0 HB3 SER B 5 4.988 -8.400 17.580 1.00 3.70 H new ATOM 0 HG SER B 5 3.494 -9.033 15.917 1.00 4.46 H new ATOM 1726 N SER B 6 6.536 -10.008 14.371 1.00 1.51 N ATOM 1727 CA SER B 6 7.021 -10.854 13.296 1.00 1.03 C ATOM 1728 C SER B 6 7.152 -10.044 12.000 1.00 0.82 C ATOM 1729 O SER B 6 8.200 -10.089 11.356 1.00 0.86 O ATOM 1730 CB SER B 6 6.106 -12.070 13.095 1.00 1.67 C ATOM 1731 OG SER B 6 6.659 -12.982 12.159 1.00 2.25 O ATOM 0 H SER B 6 5.551 -9.756 14.295 1.00 1.51 H new ATOM 0 HA SER B 6 8.008 -11.226 13.571 1.00 1.03 H new ATOM 0 HB2 SER B 6 5.952 -12.574 14.049 1.00 1.67 H new ATOM 0 HB3 SER B 6 5.127 -11.738 12.748 1.00 1.67 H new ATOM 0 HG SER B 6 6.056 -13.747 12.052 1.00 2.25 H new ATOM 1737 N PRO B 7 6.112 -9.281 11.591 1.00 0.70 N ATOM 1738 CA PRO B 7 6.202 -8.416 10.417 1.00 0.54 C ATOM 1739 C PRO B 7 6.817 -7.068 10.774 1.00 0.45 C ATOM 1740 O PRO B 7 6.935 -6.719 11.951 1.00 0.57 O ATOM 1741 CB PRO B 7 4.738 -8.236 10.044 1.00 0.62 C ATOM 1742 CG PRO B 7 4.084 -8.135 11.365 1.00 0.75 C ATOM 1743 CD PRO B 7 4.763 -9.180 12.209 1.00 0.82 C ATOM 0 HA PRO B 7 6.824 -8.828 9.622 1.00 0.54 H new ATOM 0 HB2 PRO B 7 4.579 -7.341 9.443 1.00 0.62 H new ATOM 0 HB3 PRO B 7 4.359 -9.079 9.467 1.00 0.62 H new ATOM 0 HG2 PRO B 7 4.207 -7.140 11.792 1.00 0.75 H new ATOM 0 HG3 PRO B 7 3.012 -8.320 11.291 1.00 0.75 H new ATOM 0 HD2 PRO B 7 4.819 -8.880 13.255 1.00 0.82 H new ATOM 0 HD3 PRO B 7 4.232 -10.132 12.178 1.00 0.82 H new ATOM 1751 N THR B 8 7.206 -6.320 9.766 1.00 0.34 N ATOM 1752 CA THR B 8 7.729 -4.988 9.973 1.00 0.27 C ATOM 1753 C THR B 8 6.620 -3.966 9.827 1.00 0.28 C ATOM 1754 O THR B 8 5.459 -4.334 9.638 1.00 0.34 O ATOM 1755 CB THR B 8 8.830 -4.678 8.963 1.00 0.29 C ATOM 1756 OG1 THR B 8 8.255 -4.531 7.664 1.00 0.37 O ATOM 1757 CG2 THR B 8 9.854 -5.794 8.964 1.00 0.33 C ATOM 0 H THR B 8 7.170 -6.613 8.790 1.00 0.34 H new ATOM 0 HA THR B 8 8.145 -4.939 10.980 1.00 0.27 H new ATOM 0 HB THR B 8 9.328 -3.748 9.237 1.00 0.29 H new ATOM 0 HG1 THR B 8 8.937 -4.705 6.983 1.00 0.37 H new ATOM 0 HG21 THR B 8 10.638 -5.569 8.241 1.00 0.33 H new ATOM 0 HG22 THR B 8 10.292 -5.885 9.958 1.00 0.33 H new ATOM 0 HG23 THR B 8 9.370 -6.732 8.693 1.00 0.33 H new ATOM 1765 N GLU B 9 6.982 -2.693 9.891 1.00 0.28 N ATOM 1766 CA GLU B 9 6.016 -1.613 9.752 1.00 0.33 C ATOM 1767 C GLU B 9 5.218 -1.769 8.462 1.00 0.36 C ATOM 1768 O GLU B 9 3.996 -1.781 8.492 1.00 0.52 O ATOM 1769 CB GLU B 9 6.729 -0.263 9.763 1.00 0.40 C ATOM 1770 CG GLU B 9 5.782 0.923 9.786 1.00 0.56 C ATOM 1771 CD GLU B 9 5.149 1.119 11.144 1.00 1.73 C ATOM 1772 OE1 GLU B 9 5.725 1.848 11.977 1.00 2.47 O ATOM 1773 OE2 GLU B 9 4.075 0.550 11.389 1.00 2.48 O ATOM 0 H GLU B 9 7.942 -2.382 10.039 1.00 0.28 H new ATOM 0 HA GLU B 9 5.327 -1.658 10.595 1.00 0.33 H new ATOM 0 HB2 GLU B 9 7.382 -0.213 10.634 1.00 0.40 H new ATOM 0 HB3 GLU B 9 7.367 -0.191 8.882 1.00 0.40 H new ATOM 0 HG2 GLU B 9 6.325 1.826 9.506 1.00 0.56 H new ATOM 0 HG3 GLU B 9 5.001 0.777 9.040 1.00 0.56 H new ATOM 1780 N THR B 10 5.912 -1.943 7.343 1.00 0.26 N ATOM 1781 CA THR B 10 5.254 -2.047 6.048 1.00 0.27 C ATOM 1782 C THR B 10 4.469 -3.342 5.942 1.00 0.27 C ATOM 1783 O THR B 10 3.376 -3.358 5.397 1.00 0.31 O ATOM 1784 CB THR B 10 6.258 -1.933 4.868 1.00 0.27 C ATOM 1785 OG1 THR B 10 5.704 -2.503 3.677 1.00 0.40 O ATOM 1786 CG2 THR B 10 7.584 -2.605 5.197 1.00 0.26 C ATOM 0 H THR B 10 6.929 -2.015 7.307 1.00 0.26 H new ATOM 0 HA THR B 10 4.564 -1.206 5.977 1.00 0.27 H new ATOM 0 HB THR B 10 6.447 -0.873 4.701 1.00 0.27 H new ATOM 0 HG1 THR B 10 6.426 -2.714 3.049 1.00 0.40 H new ATOM 0 HG21 THR B 10 8.262 -2.506 4.349 1.00 0.26 H new ATOM 0 HG22 THR B 10 8.026 -2.129 6.073 1.00 0.26 H new ATOM 0 HG23 THR B 10 7.415 -3.662 5.405 1.00 0.26 H new ATOM 1794 N GLU B 11 5.001 -4.410 6.509 1.00 0.24 N ATOM 1795 CA GLU B 11 4.367 -5.713 6.395 1.00 0.27 C ATOM 1796 C GLU B 11 3.073 -5.769 7.184 1.00 0.30 C ATOM 1797 O GLU B 11 2.043 -6.199 6.672 1.00 0.32 O ATOM 1798 CB GLU B 11 5.317 -6.797 6.858 1.00 0.29 C ATOM 1799 CG GLU B 11 6.655 -6.699 6.174 1.00 0.41 C ATOM 1800 CD GLU B 11 7.567 -7.867 6.473 1.00 1.11 C ATOM 1801 OE1 GLU B 11 7.858 -8.103 7.666 1.00 1.71 O ATOM 1802 OE2 GLU B 11 8.006 -8.544 5.523 1.00 1.85 O ATOM 0 H GLU B 11 5.866 -4.402 7.050 1.00 0.24 H new ATOM 0 HA GLU B 11 4.123 -5.879 5.346 1.00 0.27 H new ATOM 0 HB2 GLU B 11 5.454 -6.723 7.937 1.00 0.29 H new ATOM 0 HB3 GLU B 11 4.878 -7.774 6.659 1.00 0.29 H new ATOM 0 HG2 GLU B 11 6.501 -6.634 5.097 1.00 0.41 H new ATOM 0 HG3 GLU B 11 7.146 -5.776 6.482 1.00 0.41 H new ATOM 1809 N ARG B 12 3.120 -5.309 8.423 1.00 0.35 N ATOM 1810 CA ARG B 12 1.922 -5.272 9.249 1.00 0.42 C ATOM 1811 C ARG B 12 0.923 -4.299 8.648 1.00 0.43 C ATOM 1812 O ARG B 12 -0.285 -4.509 8.714 1.00 0.47 O ATOM 1813 CB ARG B 12 2.252 -4.910 10.710 1.00 0.48 C ATOM 1814 CG ARG B 12 2.886 -3.536 10.932 1.00 0.49 C ATOM 1815 CD ARG B 12 1.873 -2.406 10.826 1.00 0.56 C ATOM 1816 NE ARG B 12 2.243 -1.261 11.654 1.00 1.08 N ATOM 1817 CZ ARG B 12 1.721 -0.995 12.851 1.00 1.34 C ATOM 1818 NH1 ARG B 12 0.808 -1.799 13.385 1.00 1.86 N ATOM 1819 NH2 ARG B 12 2.125 0.078 13.514 1.00 1.95 N ATOM 0 H ARG B 12 3.964 -4.959 8.876 1.00 0.35 H new ATOM 0 HA ARG B 12 1.478 -6.267 9.267 1.00 0.42 H new ATOM 0 HB2 ARG B 12 1.333 -4.963 11.293 1.00 0.48 H new ATOM 0 HB3 ARG B 12 2.926 -5.668 11.108 1.00 0.48 H new ATOM 0 HG2 ARG B 12 3.354 -3.510 11.916 1.00 0.49 H new ATOM 0 HG3 ARG B 12 3.677 -3.381 10.198 1.00 0.49 H new ATOM 0 HD2 ARG B 12 1.790 -2.090 9.786 1.00 0.56 H new ATOM 0 HD3 ARG B 12 0.891 -2.770 11.128 1.00 0.56 H new ATOM 0 HE ARG B 12 2.949 -0.621 11.291 1.00 1.08 H new ATOM 0 HH11 ARG B 12 0.500 -2.629 12.878 1.00 1.86 H new ATOM 0 HH12 ARG B 12 0.415 -1.586 14.302 1.00 1.86 H new ATOM 0 HH21 ARG B 12 2.830 0.693 13.108 1.00 1.95 H new ATOM 0 HH22 ARG B 12 1.731 0.289 14.431 1.00 1.95 H new ATOM 1833 N CYS B 13 1.455 -3.250 8.041 1.00 0.42 N ATOM 1834 CA CYS B 13 0.651 -2.228 7.402 1.00 0.44 C ATOM 1835 C CYS B 13 -0.005 -2.801 6.163 1.00 0.30 C ATOM 1836 O CYS B 13 -1.172 -2.543 5.877 1.00 0.29 O ATOM 1837 CB CYS B 13 1.545 -1.034 7.070 1.00 0.57 C ATOM 1838 SG CYS B 13 1.830 0.066 8.472 1.00 2.16 S ATOM 0 H CYS B 13 2.460 -3.086 7.979 1.00 0.42 H new ATOM 0 HA CYS B 13 -0.142 -1.889 8.069 1.00 0.44 H new ATOM 0 HB2 CYS B 13 2.505 -1.400 6.705 1.00 0.57 H new ATOM 0 HB3 CYS B 13 1.091 -0.465 6.259 1.00 0.57 H new ATOM 0 HG CYS B 13 2.909 -0.300 9.098 1.00 2.16 H new ATOM 1844 N ILE B 14 0.758 -3.620 5.467 1.00 0.26 N ATOM 1845 CA ILE B 14 0.286 -4.354 4.317 1.00 0.24 C ATOM 1846 C ILE B 14 -0.929 -5.215 4.665 1.00 0.21 C ATOM 1847 O ILE B 14 -1.915 -5.257 3.927 1.00 0.23 O ATOM 1848 CB ILE B 14 1.425 -5.246 3.777 1.00 0.24 C ATOM 1849 CG1 ILE B 14 2.293 -4.480 2.777 1.00 0.25 C ATOM 1850 CG2 ILE B 14 0.892 -6.533 3.165 1.00 0.27 C ATOM 1851 CD1 ILE B 14 3.584 -5.192 2.459 1.00 0.27 C ATOM 0 H ILE B 14 1.738 -3.795 5.690 1.00 0.26 H new ATOM 0 HA ILE B 14 -0.020 -3.638 3.554 1.00 0.24 H new ATOM 0 HB ILE B 14 2.050 -5.525 4.625 1.00 0.24 H new ATOM 0 HG12 ILE B 14 1.730 -4.328 1.856 1.00 0.25 H new ATOM 0 HG13 ILE B 14 2.518 -3.492 3.180 1.00 0.25 H new ATOM 0 HG21 ILE B 14 1.724 -7.133 2.797 1.00 0.27 H new ATOM 0 HG22 ILE B 14 0.345 -7.096 3.921 1.00 0.27 H new ATOM 0 HG23 ILE B 14 0.224 -6.293 2.338 1.00 0.27 H new ATOM 0 HD11 ILE B 14 4.158 -4.602 1.745 1.00 0.27 H new ATOM 0 HD12 ILE B 14 4.164 -5.320 3.373 1.00 0.27 H new ATOM 0 HD13 ILE B 14 3.364 -6.169 2.029 1.00 0.27 H new ATOM 1863 N GLU B 15 -0.860 -5.874 5.809 1.00 0.24 N ATOM 1864 CA GLU B 15 -1.895 -6.800 6.221 1.00 0.28 C ATOM 1865 C GLU B 15 -3.076 -6.045 6.747 1.00 0.30 C ATOM 1866 O GLU B 15 -4.202 -6.524 6.724 1.00 0.34 O ATOM 1867 CB GLU B 15 -1.378 -7.704 7.312 1.00 0.32 C ATOM 1868 CG GLU B 15 -0.094 -8.408 6.928 1.00 0.32 C ATOM 1869 CD GLU B 15 0.472 -9.238 8.058 1.00 0.38 C ATOM 1870 OE1 GLU B 15 0.751 -8.673 9.136 1.00 1.25 O ATOM 1871 OE2 GLU B 15 0.628 -10.464 7.876 1.00 1.06 O ATOM 0 H GLU B 15 -0.090 -5.782 6.472 1.00 0.24 H new ATOM 0 HA GLU B 15 -2.189 -7.395 5.356 1.00 0.28 H new ATOM 0 HB2 GLU B 15 -1.210 -7.117 8.215 1.00 0.32 H new ATOM 0 HB3 GLU B 15 -2.138 -8.448 7.552 1.00 0.32 H new ATOM 0 HG2 GLU B 15 -0.279 -9.050 6.067 1.00 0.32 H new ATOM 0 HG3 GLU B 15 0.644 -7.668 6.620 1.00 0.32 H new ATOM 1878 N SER B 16 -2.802 -4.863 7.243 1.00 0.31 N ATOM 1879 CA SER B 16 -3.846 -4.021 7.740 1.00 0.37 C ATOM 1880 C SER B 16 -4.665 -3.496 6.575 1.00 0.28 C ATOM 1881 O SER B 16 -5.868 -3.298 6.695 1.00 0.28 O ATOM 1882 CB SER B 16 -3.256 -2.898 8.577 1.00 0.54 C ATOM 1883 OG SER B 16 -2.452 -3.420 9.621 1.00 0.97 O ATOM 0 H SER B 16 -1.864 -4.469 7.310 1.00 0.31 H new ATOM 0 HA SER B 16 -4.511 -4.591 8.389 1.00 0.37 H new ATOM 0 HB2 SER B 16 -2.658 -2.242 7.944 1.00 0.54 H new ATOM 0 HB3 SER B 16 -4.058 -2.291 8.998 1.00 0.54 H new ATOM 0 HG SER B 16 -1.539 -3.560 9.292 1.00 0.97 H new ATOM 1889 N LEU B 17 -4.009 -3.311 5.434 1.00 0.27 N ATOM 1890 CA LEU B 17 -4.718 -3.028 4.198 1.00 0.28 C ATOM 1891 C LEU B 17 -5.597 -4.218 3.873 1.00 0.27 C ATOM 1892 O LEU B 17 -6.784 -4.070 3.653 1.00 0.32 O ATOM 1893 CB LEU B 17 -3.746 -2.778 3.046 1.00 0.29 C ATOM 1894 CG LEU B 17 -2.597 -1.832 3.373 1.00 0.33 C ATOM 1895 CD1 LEU B 17 -1.614 -1.752 2.218 1.00 0.33 C ATOM 1896 CD2 LEU B 17 -3.123 -0.445 3.721 1.00 0.46 C ATOM 0 H LEU B 17 -2.994 -3.352 5.343 1.00 0.27 H new ATOM 0 HA LEU B 17 -5.318 -2.127 4.328 1.00 0.28 H new ATOM 0 HB2 LEU B 17 -3.331 -3.734 2.725 1.00 0.29 H new ATOM 0 HB3 LEU B 17 -4.303 -2.373 2.201 1.00 0.29 H new ATOM 0 HG LEU B 17 -2.071 -2.230 4.241 1.00 0.33 H new ATOM 0 HD11 LEU B 17 -0.804 -1.071 2.477 1.00 0.33 H new ATOM 0 HD12 LEU B 17 -1.205 -2.743 2.019 1.00 0.33 H new ATOM 0 HD13 LEU B 17 -2.127 -1.385 1.329 1.00 0.33 H new ATOM 0 HD21 LEU B 17 -2.286 0.214 3.951 1.00 0.46 H new ATOM 0 HD22 LEU B 17 -3.679 -0.044 2.874 1.00 0.46 H new ATOM 0 HD23 LEU B 17 -3.781 -0.512 4.588 1.00 0.46 H new ATOM 1908 N ILE B 18 -4.996 -5.404 3.887 1.00 0.27 N ATOM 1909 CA ILE B 18 -5.725 -6.652 3.685 1.00 0.30 C ATOM 1910 C ILE B 18 -6.959 -6.721 4.588 1.00 0.28 C ATOM 1911 O ILE B 18 -8.041 -7.095 4.145 1.00 0.30 O ATOM 1912 CB ILE B 18 -4.813 -7.874 3.960 1.00 0.36 C ATOM 1913 CG1 ILE B 18 -3.679 -7.924 2.932 1.00 0.62 C ATOM 1914 CG2 ILE B 18 -5.619 -9.167 3.941 1.00 0.47 C ATOM 1915 CD1 ILE B 18 -2.698 -9.053 3.162 1.00 1.37 C ATOM 0 H ILE B 18 -3.995 -5.527 4.038 1.00 0.27 H new ATOM 0 HA ILE B 18 -6.049 -6.677 2.645 1.00 0.30 H new ATOM 0 HB ILE B 18 -4.378 -7.767 4.954 1.00 0.36 H new ATOM 0 HG12 ILE B 18 -4.108 -8.025 1.935 1.00 0.62 H new ATOM 0 HG13 ILE B 18 -3.140 -6.977 2.952 1.00 0.62 H new ATOM 0 HG21 ILE B 18 -4.958 -10.011 4.136 1.00 0.47 H new ATOM 0 HG22 ILE B 18 -6.391 -9.126 4.709 1.00 0.47 H new ATOM 0 HG23 ILE B 18 -6.086 -9.291 2.964 1.00 0.47 H new ATOM 0 HD11 ILE B 18 -1.924 -9.024 2.395 1.00 1.37 H new ATOM 0 HD12 ILE B 18 -2.240 -8.942 4.145 1.00 1.37 H new ATOM 0 HD13 ILE B 18 -3.223 -10.007 3.112 1.00 1.37 H new ATOM 1927 N ALA B 19 -6.783 -6.332 5.842 1.00 0.25 N ATOM 1928 CA ALA B 19 -7.854 -6.364 6.827 1.00 0.25 C ATOM 1929 C ALA B 19 -8.980 -5.392 6.478 1.00 0.23 C ATOM 1930 O ALA B 19 -10.146 -5.784 6.412 1.00 0.27 O ATOM 1931 CB ALA B 19 -7.293 -6.054 8.207 1.00 0.28 C ATOM 0 H ALA B 19 -5.895 -5.986 6.205 1.00 0.25 H new ATOM 0 HA ALA B 19 -8.282 -7.367 6.825 1.00 0.25 H new ATOM 0 HB1 ALA B 19 -8.098 -6.079 8.941 1.00 0.28 H new ATOM 0 HB2 ALA B 19 -6.540 -6.797 8.469 1.00 0.28 H new ATOM 0 HB3 ALA B 19 -6.838 -5.063 8.201 1.00 0.28 H new ATOM 1937 N VAL B 20 -8.631 -4.130 6.247 1.00 0.20 N ATOM 1938 CA VAL B 20 -9.629 -3.105 5.962 1.00 0.22 C ATOM 1939 C VAL B 20 -10.294 -3.370 4.622 1.00 0.23 C ATOM 1940 O VAL B 20 -11.503 -3.170 4.452 1.00 0.27 O ATOM 1941 CB VAL B 20 -9.009 -1.687 5.992 1.00 0.27 C ATOM 1942 CG1 VAL B 20 -8.166 -1.539 7.221 1.00 0.87 C ATOM 1943 CG2 VAL B 20 -8.169 -1.384 4.766 1.00 0.87 C ATOM 0 H VAL B 20 -7.668 -3.794 6.252 1.00 0.20 H new ATOM 0 HA VAL B 20 -10.387 -3.151 6.744 1.00 0.22 H new ATOM 0 HB VAL B 20 -9.834 -0.975 6.000 1.00 0.27 H new ATOM 0 HG11 VAL B 20 -7.728 -0.541 7.244 1.00 0.87 H new ATOM 0 HG12 VAL B 20 -8.785 -1.684 8.106 1.00 0.87 H new ATOM 0 HG13 VAL B 20 -7.370 -2.284 7.208 1.00 0.87 H new ATOM 0 HG21 VAL B 20 -7.761 -0.376 4.844 1.00 0.87 H new ATOM 0 HG22 VAL B 20 -7.352 -2.102 4.698 1.00 0.87 H new ATOM 0 HG23 VAL B 20 -8.790 -1.456 3.873 1.00 0.87 H new ATOM 1953 N PHE B 21 -9.497 -3.845 3.681 1.00 0.22 N ATOM 1954 CA PHE B 21 -10.012 -4.229 2.376 1.00 0.25 C ATOM 1955 C PHE B 21 -11.020 -5.358 2.519 1.00 0.29 C ATOM 1956 O PHE B 21 -12.112 -5.296 1.975 1.00 0.35 O ATOM 1957 CB PHE B 21 -8.884 -4.686 1.449 1.00 0.26 C ATOM 1958 CG PHE B 21 -7.945 -3.601 1.004 1.00 0.91 C ATOM 1959 CD1 PHE B 21 -8.012 -2.329 1.544 1.00 1.85 C ATOM 1960 CD2 PHE B 21 -6.988 -3.865 0.045 1.00 1.59 C ATOM 1961 CE1 PHE B 21 -7.139 -1.341 1.139 1.00 2.48 C ATOM 1962 CE2 PHE B 21 -6.114 -2.884 -0.364 1.00 2.17 C ATOM 1963 CZ PHE B 21 -6.188 -1.620 0.183 1.00 2.40 C ATOM 0 H PHE B 21 -8.492 -3.974 3.795 1.00 0.22 H new ATOM 0 HA PHE B 21 -10.495 -3.353 1.942 1.00 0.25 H new ATOM 0 HB2 PHE B 21 -8.307 -5.458 1.958 1.00 0.26 H new ATOM 0 HB3 PHE B 21 -9.325 -5.148 0.566 1.00 0.26 H new ATOM 0 HD1 PHE B 21 -8.758 -2.107 2.293 1.00 1.85 H new ATOM 0 HD2 PHE B 21 -6.924 -4.852 -0.389 1.00 1.59 H new ATOM 0 HE1 PHE B 21 -7.201 -0.353 1.570 1.00 2.48 H new ATOM 0 HE2 PHE B 21 -5.369 -3.104 -1.114 1.00 2.17 H new ATOM 0 HZ PHE B 21 -5.501 -0.851 -0.138 1.00 2.40 H new ATOM 1973 N GLN B 22 -10.649 -6.368 3.291 1.00 0.30 N ATOM 1974 CA GLN B 22 -11.434 -7.587 3.404 1.00 0.37 C ATOM 1975 C GLN B 22 -12.740 -7.334 4.135 1.00 0.36 C ATOM 1976 O GLN B 22 -13.771 -7.888 3.772 1.00 0.44 O ATOM 1977 CB GLN B 22 -10.600 -8.660 4.115 1.00 0.47 C ATOM 1978 CG GLN B 22 -11.166 -10.068 4.031 1.00 1.11 C ATOM 1979 CD GLN B 22 -12.002 -10.447 5.239 1.00 1.98 C ATOM 1980 OE1 GLN B 22 -13.217 -10.266 5.260 1.00 2.68 O ATOM 1981 NE2 GLN B 22 -11.351 -10.976 6.262 1.00 2.65 N ATOM 0 H GLN B 22 -9.799 -6.366 3.855 1.00 0.30 H new ATOM 0 HA GLN B 22 -11.691 -7.939 2.405 1.00 0.37 H new ATOM 0 HB2 GLN B 22 -9.597 -8.661 3.689 1.00 0.47 H new ATOM 0 HB3 GLN B 22 -10.500 -8.386 5.165 1.00 0.47 H new ATOM 0 HG2 GLN B 22 -11.777 -10.154 3.132 1.00 1.11 H new ATOM 0 HG3 GLN B 22 -10.345 -10.778 3.928 1.00 1.11 H new ATOM 0 HE21 GLN B 22 -10.341 -11.112 6.209 1.00 2.65 H new ATOM 0 HE22 GLN B 22 -11.859 -11.248 7.104 1.00 2.65 H new ATOM 1990 N LYS B 23 -12.709 -6.482 5.147 1.00 0.35 N ATOM 1991 CA LYS B 23 -13.904 -6.221 5.925 1.00 0.39 C ATOM 1992 C LYS B 23 -14.952 -5.484 5.095 1.00 0.41 C ATOM 1993 O LYS B 23 -16.149 -5.721 5.248 1.00 0.49 O ATOM 1994 CB LYS B 23 -13.566 -5.422 7.180 1.00 0.41 C ATOM 1995 CG LYS B 23 -13.057 -4.042 6.898 1.00 0.42 C ATOM 1996 CD LYS B 23 -12.514 -3.426 8.152 1.00 0.63 C ATOM 1997 CE LYS B 23 -12.418 -1.931 8.000 1.00 0.64 C ATOM 1998 NZ LYS B 23 -11.903 -1.261 9.221 1.00 0.91 N ATOM 0 H LYS B 23 -11.880 -5.967 5.444 1.00 0.35 H new ATOM 0 HA LYS B 23 -14.322 -7.182 6.225 1.00 0.39 H new ATOM 0 HB2 LYS B 23 -14.456 -5.350 7.805 1.00 0.41 H new ATOM 0 HB3 LYS B 23 -12.816 -5.966 7.755 1.00 0.41 H new ATOM 0 HG2 LYS B 23 -12.278 -4.082 6.137 1.00 0.42 H new ATOM 0 HG3 LYS B 23 -13.861 -3.424 6.499 1.00 0.42 H new ATOM 0 HD2 LYS B 23 -13.159 -3.672 8.995 1.00 0.63 H new ATOM 0 HD3 LYS B 23 -11.530 -3.840 8.372 1.00 0.63 H new ATOM 0 HE2 LYS B 23 -11.765 -1.697 7.160 1.00 0.64 H new ATOM 0 HE3 LYS B 23 -13.403 -1.531 7.759 1.00 0.64 H new ATOM 0 HZ1 LYS B 23 -11.346 -0.425 8.950 1.00 0.91 H new ATOM 0 HZ2 LYS B 23 -12.702 -0.966 9.818 1.00 0.91 H new ATOM 0 HZ3 LYS B 23 -11.300 -1.922 9.751 1.00 0.91 H new ATOM 2012 N TYR B 24 -14.507 -4.584 4.220 1.00 0.36 N ATOM 2013 CA TYR B 24 -15.436 -3.835 3.387 1.00 0.39 C ATOM 2014 C TYR B 24 -15.795 -4.593 2.116 1.00 0.34 C ATOM 2015 O TYR B 24 -16.952 -4.610 1.707 1.00 0.40 O ATOM 2016 CB TYR B 24 -14.881 -2.458 3.047 1.00 0.46 C ATOM 2017 CG TYR B 24 -15.320 -1.385 4.016 1.00 0.86 C ATOM 2018 CD1 TYR B 24 -16.504 -0.693 3.806 1.00 1.52 C ATOM 2019 CD2 TYR B 24 -14.564 -1.067 5.137 1.00 1.66 C ATOM 2020 CE1 TYR B 24 -16.923 0.287 4.682 1.00 1.83 C ATOM 2021 CE2 TYR B 24 -14.980 -0.088 6.021 1.00 1.99 C ATOM 2022 CZ TYR B 24 -16.160 0.585 5.787 1.00 1.71 C ATOM 2023 OH TYR B 24 -16.583 1.557 6.664 1.00 2.15 O ATOM 0 H TYR B 24 -13.523 -4.360 4.073 1.00 0.36 H new ATOM 0 HA TYR B 24 -16.351 -3.706 3.966 1.00 0.39 H new ATOM 0 HB2 TYR B 24 -13.792 -2.505 3.035 1.00 0.46 H new ATOM 0 HB3 TYR B 24 -15.199 -2.183 2.041 1.00 0.46 H new ATOM 0 HD1 TYR B 24 -17.108 -0.926 2.942 1.00 1.52 H new ATOM 0 HD2 TYR B 24 -13.638 -1.592 5.321 1.00 1.66 H new ATOM 0 HE1 TYR B 24 -17.846 0.818 4.501 1.00 1.83 H new ATOM 0 HE2 TYR B 24 -14.384 0.148 6.890 1.00 1.99 H new ATOM 0 HH TYR B 24 -16.342 2.440 6.314 1.00 2.15 H new ATOM 2033 N ALA B 25 -14.808 -5.223 1.497 1.00 0.29 N ATOM 2034 CA ALA B 25 -15.049 -6.026 0.306 1.00 0.34 C ATOM 2035 C ALA B 25 -15.883 -7.242 0.665 1.00 0.47 C ATOM 2036 O ALA B 25 -16.663 -7.751 -0.139 1.00 0.58 O ATOM 2037 CB ALA B 25 -13.731 -6.453 -0.321 1.00 0.37 C ATOM 0 H ALA B 25 -13.834 -5.194 1.798 1.00 0.29 H new ATOM 0 HA ALA B 25 -15.595 -5.425 -0.421 1.00 0.34 H new ATOM 0 HB1 ALA B 25 -13.928 -7.052 -1.210 1.00 0.37 H new ATOM 0 HB2 ALA B 25 -13.157 -5.569 -0.599 1.00 0.37 H new ATOM 0 HB3 ALA B 25 -13.162 -7.044 0.396 1.00 0.37 H new ATOM 2043 N GLY B 26 -15.730 -7.681 1.904 1.00 0.50 N ATOM 2044 CA GLY B 26 -16.464 -8.832 2.383 1.00 0.64 C ATOM 2045 C GLY B 26 -17.934 -8.530 2.607 1.00 0.76 C ATOM 2046 O GLY B 26 -18.722 -9.432 2.892 1.00 0.96 O ATOM 0 H GLY B 26 -15.106 -7.257 2.591 1.00 0.50 H new ATOM 0 HA2 GLY B 26 -16.369 -9.645 1.663 1.00 0.64 H new ATOM 0 HA3 GLY B 26 -16.021 -9.179 3.317 1.00 0.64 H new ATOM 2050 N LYS B 27 -18.309 -7.262 2.467 1.00 0.69 N ATOM 2051 CA LYS B 27 -19.683 -6.841 2.697 1.00 0.82 C ATOM 2052 C LYS B 27 -20.590 -7.257 1.547 1.00 0.95 C ATOM 2053 O LYS B 27 -21.729 -7.670 1.772 1.00 1.11 O ATOM 2054 CB LYS B 27 -19.762 -5.330 2.898 1.00 0.77 C ATOM 2055 CG LYS B 27 -19.085 -4.851 4.169 1.00 0.81 C ATOM 2056 CD LYS B 27 -19.119 -3.337 4.282 1.00 0.86 C ATOM 2057 CE LYS B 27 -18.538 -2.864 5.606 1.00 1.11 C ATOM 2058 NZ LYS B 27 -19.340 -3.333 6.765 1.00 1.72 N ATOM 0 H LYS B 27 -17.678 -6.509 2.195 1.00 0.69 H new ATOM 0 HA LYS B 27 -20.027 -7.337 3.604 1.00 0.82 H new ATOM 0 HB2 LYS B 27 -19.304 -4.833 2.043 1.00 0.77 H new ATOM 0 HB3 LYS B 27 -20.809 -5.029 2.918 1.00 0.77 H new ATOM 0 HG2 LYS B 27 -19.579 -5.293 5.034 1.00 0.81 H new ATOM 0 HG3 LYS B 27 -18.051 -5.195 4.183 1.00 0.81 H new ATOM 0 HD2 LYS B 27 -18.557 -2.897 3.459 1.00 0.86 H new ATOM 0 HD3 LYS B 27 -20.147 -2.987 4.189 1.00 0.86 H new ATOM 0 HE2 LYS B 27 -17.515 -3.226 5.703 1.00 1.11 H new ATOM 0 HE3 LYS B 27 -18.493 -1.775 5.614 1.00 1.11 H new ATOM 0 HZ1 LYS B 27 -19.084 -2.782 7.610 1.00 1.72 H new ATOM 0 HZ2 LYS B 27 -20.352 -3.205 6.561 1.00 1.72 H new ATOM 0 HZ3 LYS B 27 -19.146 -4.340 6.937 1.00 1.72 H new ATOM 2072 N ASP B 28 -20.095 -7.156 0.318 1.00 1.00 N ATOM 2073 CA ASP B 28 -20.892 -7.556 -0.835 1.00 1.19 C ATOM 2074 C ASP B 28 -20.715 -9.046 -1.105 1.00 1.26 C ATOM 2075 O ASP B 28 -21.399 -9.625 -1.956 1.00 1.58 O ATOM 2076 CB ASP B 28 -20.561 -6.720 -2.082 1.00 1.33 C ATOM 2077 CG ASP B 28 -19.195 -7.001 -2.676 1.00 1.65 C ATOM 2078 OD1 ASP B 28 -19.059 -7.996 -3.423 1.00 2.09 O ATOM 2079 OD2 ASP B 28 -18.272 -6.196 -2.441 1.00 2.15 O ATOM 0 H ASP B 28 -19.162 -6.807 0.097 1.00 1.00 H new ATOM 0 HA ASP B 28 -21.939 -7.366 -0.600 1.00 1.19 H new ATOM 0 HB2 ASP B 28 -21.320 -6.906 -2.842 1.00 1.33 H new ATOM 0 HB3 ASP B 28 -20.621 -5.663 -1.823 1.00 1.33 H new ATOM 2084 N GLY B 29 -19.805 -9.664 -0.362 1.00 1.15 N ATOM 2085 CA GLY B 29 -19.673 -11.106 -0.394 1.00 1.32 C ATOM 2086 C GLY B 29 -18.367 -11.581 -0.995 1.00 1.51 C ATOM 2087 O GLY B 29 -17.945 -12.714 -0.753 1.00 1.64 O ATOM 0 H GLY B 29 -19.154 -9.189 0.264 1.00 1.15 H new ATOM 0 HA2 GLY B 29 -19.758 -11.493 0.621 1.00 1.32 H new ATOM 0 HA3 GLY B 29 -20.501 -11.526 -0.966 1.00 1.32 H new ATOM 2091 N TYR B 30 -17.723 -10.736 -1.781 1.00 2.07 N ATOM 2092 CA TYR B 30 -16.483 -11.120 -2.436 1.00 2.80 C ATOM 2093 C TYR B 30 -15.274 -10.589 -1.678 1.00 2.61 C ATOM 2094 O TYR B 30 -14.927 -9.415 -1.792 1.00 3.02 O ATOM 2095 CB TYR B 30 -16.462 -10.625 -3.884 1.00 3.68 C ATOM 2096 CG TYR B 30 -17.493 -11.297 -4.761 1.00 4.52 C ATOM 2097 CD1 TYR B 30 -17.280 -12.577 -5.251 1.00 5.12 C ATOM 2098 CD2 TYR B 30 -18.680 -10.658 -5.090 1.00 5.11 C ATOM 2099 CE1 TYR B 30 -18.220 -13.202 -6.046 1.00 6.09 C ATOM 2100 CE2 TYR B 30 -19.626 -11.277 -5.885 1.00 6.04 C ATOM 2101 CZ TYR B 30 -19.390 -12.548 -6.359 1.00 6.46 C ATOM 2102 OH TYR B 30 -20.331 -13.171 -7.146 1.00 7.51 O ATOM 0 H TYR B 30 -18.035 -9.786 -1.981 1.00 2.07 H new ATOM 0 HA TYR B 30 -16.431 -12.209 -2.439 1.00 2.80 H new ATOM 0 HB2 TYR B 30 -16.632 -9.548 -3.895 1.00 3.68 H new ATOM 0 HB3 TYR B 30 -15.471 -10.795 -4.305 1.00 3.68 H new ATOM 0 HD1 TYR B 30 -16.364 -13.093 -5.007 1.00 5.12 H new ATOM 0 HD2 TYR B 30 -18.868 -9.661 -4.719 1.00 5.11 H new ATOM 0 HE1 TYR B 30 -18.038 -14.199 -6.420 1.00 6.09 H new ATOM 0 HE2 TYR B 30 -20.545 -10.767 -6.133 1.00 6.04 H new ATOM 0 HH TYR B 30 -21.099 -12.575 -7.272 1.00 7.51 H new ATOM 2112 N ASN B 31 -14.620 -11.470 -0.924 1.00 2.62 N ATOM 2113 CA ASN B 31 -13.430 -11.105 -0.145 1.00 2.78 C ATOM 2114 C ASN B 31 -12.218 -10.931 -1.063 1.00 1.96 C ATOM 2115 O ASN B 31 -11.127 -11.432 -0.794 1.00 2.53 O ATOM 2116 CB ASN B 31 -13.132 -12.171 0.922 1.00 3.85 C ATOM 2117 CG ASN B 31 -14.223 -12.282 1.975 1.00 4.61 C ATOM 2118 OD1 ASN B 31 -15.396 -12.031 1.705 1.00 4.92 O ATOM 2119 ND2 ASN B 31 -13.846 -12.671 3.183 1.00 5.33 N ATOM 0 H ASN B 31 -14.893 -12.449 -0.833 1.00 2.62 H new ATOM 0 HA ASN B 31 -13.631 -10.157 0.354 1.00 2.78 H new ATOM 0 HB2 ASN B 31 -13.005 -13.138 0.435 1.00 3.85 H new ATOM 0 HB3 ASN B 31 -12.187 -11.934 1.410 1.00 3.85 H new ATOM 0 HD21 ASN B 31 -14.538 -12.771 3.926 1.00 5.33 H new ATOM 0 HD22 ASN B 31 -12.864 -12.871 3.371 1.00 5.33 H new ATOM 2126 N TYR B 32 -12.431 -10.193 -2.136 1.00 1.18 N ATOM 2127 CA TYR B 32 -11.437 -9.991 -3.175 1.00 1.18 C ATOM 2128 C TYR B 32 -11.711 -8.673 -3.883 1.00 0.91 C ATOM 2129 O TYR B 32 -10.788 -7.964 -4.278 1.00 1.04 O ATOM 2130 CB TYR B 32 -11.479 -11.160 -4.170 1.00 1.78 C ATOM 2131 CG TYR B 32 -10.682 -10.944 -5.443 1.00 2.38 C ATOM 2132 CD1 TYR B 32 -9.322 -11.218 -5.498 1.00 2.99 C ATOM 2133 CD2 TYR B 32 -11.302 -10.474 -6.595 1.00 3.08 C ATOM 2134 CE1 TYR B 32 -8.603 -11.028 -6.666 1.00 3.86 C ATOM 2135 CE2 TYR B 32 -10.593 -10.285 -7.763 1.00 3.93 C ATOM 2136 CZ TYR B 32 -9.246 -10.562 -7.796 1.00 4.19 C ATOM 2137 OH TYR B 32 -8.538 -10.376 -8.964 1.00 5.19 O ATOM 0 H TYR B 32 -13.312 -9.710 -2.314 1.00 1.18 H new ATOM 0 HA TYR B 32 -10.442 -9.953 -2.731 1.00 1.18 H new ATOM 0 HB2 TYR B 32 -11.106 -12.055 -3.672 1.00 1.78 H new ATOM 0 HB3 TYR B 32 -12.518 -11.353 -4.437 1.00 1.78 H new ATOM 0 HD1 TYR B 32 -8.817 -11.585 -4.616 1.00 2.99 H new ATOM 0 HD2 TYR B 32 -12.359 -10.253 -6.575 1.00 3.08 H new ATOM 0 HE1 TYR B 32 -7.545 -11.243 -6.693 1.00 3.86 H new ATOM 0 HE2 TYR B 32 -11.093 -9.921 -8.648 1.00 3.93 H new ATOM 0 HH TYR B 32 -9.140 -10.045 -9.663 1.00 5.19 H new ATOM 2147 N THR B 33 -12.988 -8.346 -4.013 1.00 0.66 N ATOM 2148 CA THR B 33 -13.406 -7.136 -4.692 1.00 0.45 C ATOM 2149 C THR B 33 -14.378 -6.334 -3.847 1.00 0.37 C ATOM 2150 O THR B 33 -15.369 -6.859 -3.351 1.00 0.44 O ATOM 2151 CB THR B 33 -14.070 -7.452 -6.044 1.00 0.45 C ATOM 2152 OG1 THR B 33 -14.391 -8.848 -6.121 1.00 0.66 O ATOM 2153 CG2 THR B 33 -13.179 -7.045 -7.209 1.00 0.43 C ATOM 0 H THR B 33 -13.757 -8.910 -3.652 1.00 0.66 H new ATOM 0 HA THR B 33 -12.504 -6.547 -4.861 1.00 0.45 H new ATOM 0 HB THR B 33 -14.990 -6.871 -6.113 1.00 0.45 H new ATOM 0 HG1 THR B 33 -14.814 -9.039 -6.984 1.00 0.66 H new ATOM 0 HG21 THR B 33 -13.678 -7.282 -8.149 1.00 0.43 H new ATOM 0 HG22 THR B 33 -12.985 -5.974 -7.161 1.00 0.43 H new ATOM 0 HG23 THR B 33 -12.235 -7.588 -7.152 1.00 0.43 H new ATOM 2161 N LEU B 34 -14.070 -5.064 -3.698 1.00 0.32 N ATOM 2162 CA LEU B 34 -14.928 -4.118 -3.026 1.00 0.30 C ATOM 2163 C LEU B 34 -15.911 -3.550 -4.023 1.00 0.31 C ATOM 2164 O LEU B 34 -15.512 -2.885 -4.979 1.00 0.34 O ATOM 2165 CB LEU B 34 -14.059 -3.001 -2.456 1.00 0.29 C ATOM 2166 CG LEU B 34 -13.869 -3.000 -0.949 1.00 0.29 C ATOM 2167 CD1 LEU B 34 -12.392 -2.964 -0.595 1.00 0.45 C ATOM 2168 CD2 LEU B 34 -14.587 -1.813 -0.350 1.00 0.28 C ATOM 0 H LEU B 34 -13.203 -4.655 -4.046 1.00 0.32 H new ATOM 0 HA LEU B 34 -15.478 -4.603 -2.220 1.00 0.30 H new ATOM 0 HB2 LEU B 34 -13.077 -3.058 -2.925 1.00 0.29 H new ATOM 0 HB3 LEU B 34 -14.496 -2.045 -2.747 1.00 0.29 H new ATOM 0 HG LEU B 34 -14.291 -3.917 -0.538 1.00 0.29 H new ATOM 0 HD11 LEU B 34 -12.278 -2.964 0.489 1.00 0.45 H new ATOM 0 HD12 LEU B 34 -11.896 -3.841 -1.012 1.00 0.45 H new ATOM 0 HD13 LEU B 34 -11.941 -2.062 -1.008 1.00 0.45 H new ATOM 0 HD21 LEU B 34 -14.450 -1.813 0.731 1.00 0.28 H new ATOM 0 HD22 LEU B 34 -14.179 -0.892 -0.767 1.00 0.28 H new ATOM 0 HD23 LEU B 34 -15.650 -1.876 -0.581 1.00 0.28 H new ATOM 2180 N SER B 35 -17.184 -3.849 -3.828 1.00 0.31 N ATOM 2181 CA SER B 35 -18.214 -3.357 -4.719 1.00 0.33 C ATOM 2182 C SER B 35 -18.338 -1.840 -4.607 1.00 0.32 C ATOM 2183 O SER B 35 -17.825 -1.242 -3.658 1.00 0.30 O ATOM 2184 CB SER B 35 -19.548 -4.043 -4.424 1.00 0.37 C ATOM 2185 OG SER B 35 -20.548 -3.664 -5.355 1.00 0.40 O ATOM 0 H SER B 35 -17.526 -4.429 -3.062 1.00 0.31 H new ATOM 0 HA SER B 35 -17.932 -3.596 -5.744 1.00 0.33 H new ATOM 0 HB2 SER B 35 -19.415 -5.125 -4.452 1.00 0.37 H new ATOM 0 HB3 SER B 35 -19.874 -3.788 -3.416 1.00 0.37 H new ATOM 0 HG SER B 35 -21.387 -4.122 -5.138 1.00 0.40 H new ATOM 2191 N LYS B 36 -19.036 -1.237 -5.575 1.00 0.38 N ATOM 2192 CA LYS B 36 -19.105 0.217 -5.721 1.00 0.42 C ATOM 2193 C LYS B 36 -19.348 0.902 -4.387 1.00 0.36 C ATOM 2194 O LYS B 36 -18.513 1.658 -3.900 1.00 0.35 O ATOM 2195 CB LYS B 36 -20.216 0.599 -6.710 1.00 0.53 C ATOM 2196 CG LYS B 36 -20.372 2.102 -6.917 1.00 0.62 C ATOM 2197 CD LYS B 36 -19.090 2.726 -7.440 1.00 0.66 C ATOM 2198 CE LYS B 36 -19.244 4.214 -7.729 1.00 0.61 C ATOM 2199 NZ LYS B 36 -20.104 4.469 -8.915 1.00 0.65 N ATOM 0 H LYS B 36 -19.569 -1.746 -6.280 1.00 0.38 H new ATOM 0 HA LYS B 36 -18.143 0.556 -6.105 1.00 0.42 H new ATOM 0 HB2 LYS B 36 -20.009 0.130 -7.672 1.00 0.53 H new ATOM 0 HB3 LYS B 36 -21.162 0.192 -6.353 1.00 0.53 H new ATOM 0 HG2 LYS B 36 -21.184 2.292 -7.620 1.00 0.62 H new ATOM 0 HG3 LYS B 36 -20.650 2.574 -5.974 1.00 0.62 H new ATOM 0 HD2 LYS B 36 -18.294 2.581 -6.709 1.00 0.66 H new ATOM 0 HD3 LYS B 36 -18.784 2.212 -8.351 1.00 0.66 H new ATOM 0 HE2 LYS B 36 -19.673 4.709 -6.858 1.00 0.61 H new ATOM 0 HE3 LYS B 36 -18.261 4.654 -7.894 1.00 0.61 H new ATOM 0 HZ1 LYS B 36 -20.006 5.462 -9.208 1.00 0.65 H new ATOM 0 HZ2 LYS B 36 -19.812 3.848 -9.696 1.00 0.65 H new ATOM 0 HZ3 LYS B 36 -21.097 4.276 -8.672 1.00 0.65 H new ATOM 2213 N THR B 37 -20.463 0.584 -3.779 1.00 0.37 N ATOM 2214 CA THR B 37 -20.894 1.252 -2.574 1.00 0.38 C ATOM 2215 C THR B 37 -19.995 0.896 -1.398 1.00 0.36 C ATOM 2216 O THR B 37 -19.835 1.682 -0.463 1.00 0.38 O ATOM 2217 CB THR B 37 -22.328 0.852 -2.235 1.00 0.44 C ATOM 2218 OG1 THR B 37 -23.146 0.922 -3.413 1.00 0.47 O ATOM 2219 CG2 THR B 37 -22.897 1.762 -1.158 1.00 0.49 C ATOM 0 H THR B 37 -21.098 -0.145 -4.104 1.00 0.37 H new ATOM 0 HA THR B 37 -20.838 2.326 -2.753 1.00 0.38 H new ATOM 0 HB THR B 37 -22.323 -0.171 -1.859 1.00 0.44 H new ATOM 0 HG1 THR B 37 -24.064 0.663 -3.190 1.00 0.47 H new ATOM 0 HG21 THR B 37 -23.920 1.461 -0.930 1.00 0.49 H new ATOM 0 HG22 THR B 37 -22.287 1.686 -0.258 1.00 0.49 H new ATOM 0 HG23 THR B 37 -22.893 2.793 -1.513 1.00 0.49 H new ATOM 2227 N GLU B 38 -19.395 -0.282 -1.460 1.00 0.34 N ATOM 2228 CA GLU B 38 -18.560 -0.753 -0.375 1.00 0.33 C ATOM 2229 C GLU B 38 -17.319 0.114 -0.256 1.00 0.33 C ATOM 2230 O GLU B 38 -16.922 0.480 0.850 1.00 0.48 O ATOM 2231 CB GLU B 38 -18.185 -2.221 -0.559 1.00 0.34 C ATOM 2232 CG GLU B 38 -19.386 -3.132 -0.767 1.00 0.47 C ATOM 2233 CD GLU B 38 -20.547 -2.814 0.158 1.00 1.27 C ATOM 2234 OE1 GLU B 38 -20.327 -2.645 1.372 1.00 2.16 O ATOM 2235 OE2 GLU B 38 -21.694 -2.735 -0.331 1.00 1.96 O ATOM 0 H GLU B 38 -19.472 -0.925 -2.248 1.00 0.34 H new ATOM 0 HA GLU B 38 -19.129 -0.676 0.551 1.00 0.33 H new ATOM 0 HB2 GLU B 38 -17.517 -2.313 -1.415 1.00 0.34 H new ATOM 0 HB3 GLU B 38 -17.630 -2.559 0.316 1.00 0.34 H new ATOM 0 HG2 GLU B 38 -19.721 -3.050 -1.801 1.00 0.47 H new ATOM 0 HG3 GLU B 38 -19.080 -4.167 -0.612 1.00 0.47 H new ATOM 2242 N PHE B 39 -16.717 0.483 -1.389 1.00 0.29 N ATOM 2243 CA PHE B 39 -15.567 1.376 -1.329 1.00 0.31 C ATOM 2244 C PHE B 39 -16.008 2.810 -1.192 1.00 0.28 C ATOM 2245 O PHE B 39 -15.278 3.631 -0.658 1.00 0.27 O ATOM 2246 CB PHE B 39 -14.585 1.237 -2.497 1.00 0.53 C ATOM 2247 CG PHE B 39 -15.148 1.309 -3.883 1.00 0.81 C ATOM 2248 CD1 PHE B 39 -15.417 2.528 -4.475 1.00 1.76 C ATOM 2249 CD2 PHE B 39 -15.366 0.153 -4.608 1.00 1.78 C ATOM 2250 CE1 PHE B 39 -15.904 2.590 -5.763 1.00 2.61 C ATOM 2251 CE2 PHE B 39 -15.848 0.210 -5.897 1.00 2.66 C ATOM 2252 CZ PHE B 39 -16.118 1.429 -6.473 1.00 2.87 C ATOM 0 H PHE B 39 -16.996 0.188 -2.325 1.00 0.29 H new ATOM 0 HA PHE B 39 -15.017 1.066 -0.440 1.00 0.31 H new ATOM 0 HB2 PHE B 39 -13.832 2.019 -2.398 1.00 0.53 H new ATOM 0 HB3 PHE B 39 -14.070 0.282 -2.392 1.00 0.53 H new ATOM 0 HD1 PHE B 39 -15.244 3.440 -3.924 1.00 1.76 H new ATOM 0 HD2 PHE B 39 -15.156 -0.806 -4.159 1.00 1.78 H new ATOM 0 HE1 PHE B 39 -16.118 3.547 -6.215 1.00 2.61 H new ATOM 0 HE2 PHE B 39 -16.013 -0.700 -6.454 1.00 2.66 H new ATOM 0 HZ PHE B 39 -16.498 1.476 -7.483 1.00 2.87 H new ATOM 2262 N LEU B 40 -17.198 3.113 -1.671 1.00 0.33 N ATOM 2263 CA LEU B 40 -17.787 4.417 -1.430 1.00 0.37 C ATOM 2264 C LEU B 40 -17.857 4.677 0.070 1.00 0.40 C ATOM 2265 O LEU B 40 -17.428 5.720 0.559 1.00 0.43 O ATOM 2266 CB LEU B 40 -19.187 4.480 -2.032 1.00 0.43 C ATOM 2267 CG LEU B 40 -19.301 5.072 -3.446 1.00 0.50 C ATOM 2268 CD1 LEU B 40 -19.207 6.587 -3.415 1.00 1.07 C ATOM 2269 CD2 LEU B 40 -18.227 4.517 -4.355 1.00 0.46 C ATOM 0 H LEU B 40 -17.774 2.480 -2.226 1.00 0.33 H new ATOM 0 HA LEU B 40 -17.167 5.180 -1.901 1.00 0.37 H new ATOM 0 HB2 LEU B 40 -19.595 3.470 -2.052 1.00 0.43 H new ATOM 0 HB3 LEU B 40 -19.819 5.066 -1.365 1.00 0.43 H new ATOM 0 HG LEU B 40 -20.278 4.788 -3.838 1.00 0.50 H new ATOM 0 HD11 LEU B 40 -19.291 6.978 -4.429 1.00 1.07 H new ATOM 0 HD12 LEU B 40 -20.015 6.989 -2.803 1.00 1.07 H new ATOM 0 HD13 LEU B 40 -18.248 6.883 -2.990 1.00 1.07 H new ATOM 0 HD21 LEU B 40 -18.331 4.952 -5.349 1.00 0.46 H new ATOM 0 HD22 LEU B 40 -17.245 4.764 -3.951 1.00 0.46 H new ATOM 0 HD23 LEU B 40 -18.330 3.434 -4.421 1.00 0.46 H new ATOM 2281 N SER B 41 -18.391 3.701 0.789 1.00 0.42 N ATOM 2282 CA SER B 41 -18.480 3.767 2.235 1.00 0.52 C ATOM 2283 C SER B 41 -17.081 3.723 2.847 1.00 0.45 C ATOM 2284 O SER B 41 -16.766 4.511 3.737 1.00 0.47 O ATOM 2285 CB SER B 41 -19.336 2.612 2.762 1.00 0.67 C ATOM 2286 OG SER B 41 -19.596 2.753 4.149 1.00 1.40 O ATOM 0 H SER B 41 -18.773 2.845 0.386 1.00 0.42 H new ATOM 0 HA SER B 41 -18.954 4.706 2.521 1.00 0.52 H new ATOM 0 HB2 SER B 41 -20.278 2.576 2.215 1.00 0.67 H new ATOM 0 HB3 SER B 41 -18.826 1.666 2.580 1.00 0.67 H new ATOM 0 HG SER B 41 -20.145 2.002 4.457 1.00 1.40 H new ATOM 2292 N PHE B 42 -16.247 2.804 2.352 1.00 0.42 N ATOM 2293 CA PHE B 42 -14.847 2.704 2.771 1.00 0.46 C ATOM 2294 C PHE B 42 -14.167 4.055 2.681 1.00 0.29 C ATOM 2295 O PHE B 42 -13.658 4.570 3.658 1.00 0.42 O ATOM 2296 CB PHE B 42 -14.097 1.717 1.876 1.00 0.80 C ATOM 2297 CG PHE B 42 -12.670 1.479 2.291 1.00 1.89 C ATOM 2298 CD1 PHE B 42 -11.664 2.363 1.924 1.00 2.77 C ATOM 2299 CD2 PHE B 42 -12.335 0.372 3.048 1.00 2.69 C ATOM 2300 CE1 PHE B 42 -10.356 2.143 2.305 1.00 3.80 C ATOM 2301 CE2 PHE B 42 -11.030 0.146 3.432 1.00 3.73 C ATOM 2302 CZ PHE B 42 -10.038 1.034 3.061 1.00 4.13 C ATOM 0 H PHE B 42 -16.521 2.113 1.654 1.00 0.42 H new ATOM 0 HA PHE B 42 -14.829 2.355 3.804 1.00 0.46 H new ATOM 0 HB2 PHE B 42 -14.629 0.765 1.876 1.00 0.80 H new ATOM 0 HB3 PHE B 42 -14.110 2.089 0.851 1.00 0.80 H new ATOM 0 HD1 PHE B 42 -11.908 3.233 1.333 1.00 2.77 H new ATOM 0 HD2 PHE B 42 -13.105 -0.325 3.343 1.00 2.69 H new ATOM 0 HE1 PHE B 42 -9.583 2.838 2.012 1.00 3.80 H new ATOM 0 HE2 PHE B 42 -10.783 -0.724 4.022 1.00 3.73 H new ATOM 0 HZ PHE B 42 -9.016 0.860 3.363 1.00 4.13 H new ATOM 2312 N MET B 43 -14.172 4.621 1.498 1.00 0.26 N ATOM 2313 CA MET B 43 -13.489 5.877 1.248 1.00 0.29 C ATOM 2314 C MET B 43 -14.048 7.020 2.093 1.00 0.29 C ATOM 2315 O MET B 43 -13.323 7.951 2.426 1.00 0.37 O ATOM 2316 CB MET B 43 -13.584 6.225 -0.224 1.00 0.38 C ATOM 2317 CG MET B 43 -12.769 5.301 -1.122 1.00 0.62 C ATOM 2318 SD MET B 43 -13.058 5.582 -2.881 1.00 1.22 S ATOM 2319 CE MET B 43 -12.027 4.308 -3.601 1.00 2.25 C ATOM 0 H MET B 43 -14.645 4.231 0.683 1.00 0.26 H new ATOM 0 HA MET B 43 -12.445 5.746 1.533 1.00 0.29 H new ATOM 0 HB2 MET B 43 -14.629 6.188 -0.531 1.00 0.38 H new ATOM 0 HB3 MET B 43 -13.245 7.251 -0.369 1.00 0.38 H new ATOM 0 HG2 MET B 43 -11.709 5.439 -0.908 1.00 0.62 H new ATOM 0 HG3 MET B 43 -13.010 4.266 -0.882 1.00 0.62 H new ATOM 0 HE1 MET B 43 -11.179 4.769 -4.108 1.00 2.25 H new ATOM 0 HE2 MET B 43 -11.663 3.647 -2.815 1.00 2.25 H new ATOM 0 HE3 MET B 43 -12.610 3.731 -4.319 1.00 2.25 H new ATOM 2329 N ASN B 44 -15.325 6.964 2.443 1.00 0.29 N ATOM 2330 CA ASN B 44 -15.903 8.010 3.281 1.00 0.33 C ATOM 2331 C ASN B 44 -15.651 7.754 4.763 1.00 0.32 C ATOM 2332 O ASN B 44 -15.826 8.648 5.582 1.00 0.39 O ATOM 2333 CB ASN B 44 -17.404 8.163 3.056 1.00 0.42 C ATOM 2334 CG ASN B 44 -17.748 9.001 1.839 1.00 1.05 C ATOM 2335 OD1 ASN B 44 -17.819 10.229 1.917 1.00 1.53 O ATOM 2336 ND2 ASN B 44 -17.987 8.351 0.716 1.00 1.83 N ATOM 0 H ASN B 44 -15.970 6.224 2.168 1.00 0.29 H new ATOM 0 HA ASN B 44 -15.405 8.934 2.986 1.00 0.33 H new ATOM 0 HB2 ASN B 44 -17.850 7.175 2.945 1.00 0.42 H new ATOM 0 HB3 ASN B 44 -17.852 8.618 3.940 1.00 0.42 H new ATOM 0 HD21 ASN B 44 -18.241 8.866 -0.127 1.00 1.83 H new ATOM 0 HD22 ASN B 44 -17.918 7.334 0.691 1.00 1.83 H new ATOM 2343 N THR B 45 -15.271 6.535 5.116 1.00 0.27 N ATOM 2344 CA THR B 45 -14.994 6.216 6.518 1.00 0.29 C ATOM 2345 C THR B 45 -13.505 6.080 6.775 1.00 0.28 C ATOM 2346 O THR B 45 -12.898 6.873 7.500 1.00 0.34 O ATOM 2347 CB THR B 45 -15.678 4.906 6.949 1.00 0.30 C ATOM 2348 OG1 THR B 45 -15.502 3.906 5.937 1.00 0.34 O ATOM 2349 CG2 THR B 45 -17.157 5.119 7.205 1.00 0.34 C ATOM 0 H THR B 45 -15.147 5.758 4.467 1.00 0.27 H new ATOM 0 HA THR B 45 -15.393 7.046 7.101 1.00 0.29 H new ATOM 0 HB THR B 45 -15.214 4.572 7.877 1.00 0.30 H new ATOM 0 HG1 THR B 45 -16.215 3.987 5.270 1.00 0.34 H new ATOM 0 HG21 THR B 45 -17.613 4.177 7.508 1.00 0.34 H new ATOM 0 HG22 THR B 45 -17.287 5.856 7.998 1.00 0.34 H new ATOM 0 HG23 THR B 45 -17.636 5.478 6.294 1.00 0.34 H new ATOM 2357 N GLU B 46 -12.929 5.088 6.128 1.00 0.23 N ATOM 2358 CA GLU B 46 -11.539 4.740 6.295 1.00 0.25 C ATOM 2359 C GLU B 46 -10.644 5.729 5.560 1.00 0.25 C ATOM 2360 O GLU B 46 -9.435 5.703 5.713 1.00 0.34 O ATOM 2361 CB GLU B 46 -11.292 3.323 5.774 1.00 0.29 C ATOM 2362 CG GLU B 46 -12.212 2.273 6.377 1.00 0.57 C ATOM 2363 CD GLU B 46 -11.938 2.020 7.845 1.00 1.17 C ATOM 2364 OE1 GLU B 46 -12.503 2.730 8.698 1.00 1.68 O ATOM 2365 OE2 GLU B 46 -11.159 1.095 8.155 1.00 1.70 O ATOM 0 H GLU B 46 -13.423 4.494 5.462 1.00 0.23 H new ATOM 0 HA GLU B 46 -11.297 4.780 7.357 1.00 0.25 H new ATOM 0 HB2 GLU B 46 -11.414 3.319 4.691 1.00 0.29 H new ATOM 0 HB3 GLU B 46 -10.258 3.046 5.980 1.00 0.29 H new ATOM 0 HG2 GLU B 46 -13.247 2.592 6.256 1.00 0.57 H new ATOM 0 HG3 GLU B 46 -12.100 1.339 5.826 1.00 0.57 H new ATOM 2372 N LEU B 47 -11.237 6.588 4.743 1.00 0.25 N ATOM 2373 CA LEU B 47 -10.468 7.610 4.045 1.00 0.26 C ATOM 2374 C LEU B 47 -11.144 8.961 4.133 1.00 0.28 C ATOM 2375 O LEU B 47 -10.951 9.819 3.274 1.00 0.30 O ATOM 2376 CB LEU B 47 -10.279 7.231 2.585 1.00 0.26 C ATOM 2377 CG LEU B 47 -9.487 5.955 2.358 1.00 0.27 C ATOM 2378 CD1 LEU B 47 -9.465 5.616 0.882 1.00 0.32 C ATOM 2379 CD2 LEU B 47 -8.077 6.111 2.909 1.00 0.28 C ATOM 0 H LEU B 47 -12.238 6.599 4.548 1.00 0.25 H new ATOM 0 HA LEU B 47 -9.494 7.676 4.530 1.00 0.26 H new ATOM 0 HB2 LEU B 47 -11.260 7.121 2.122 1.00 0.26 H new ATOM 0 HB3 LEU B 47 -9.775 8.051 2.073 1.00 0.26 H new ATOM 0 HG LEU B 47 -9.967 5.132 2.888 1.00 0.27 H new ATOM 0 HD11 LEU B 47 -8.895 4.700 0.728 1.00 0.32 H new ATOM 0 HD12 LEU B 47 -10.485 5.473 0.526 1.00 0.32 H new ATOM 0 HD13 LEU B 47 -8.999 6.431 0.328 1.00 0.32 H new ATOM 0 HD21 LEU B 47 -7.517 5.191 2.741 1.00 0.28 H new ATOM 0 HD22 LEU B 47 -7.578 6.937 2.402 1.00 0.28 H new ATOM 0 HD23 LEU B 47 -8.125 6.317 3.978 1.00 0.28 H new ATOM 2391 N ALA B 48 -11.942 9.147 5.169 1.00 0.32 N ATOM 2392 CA ALA B 48 -12.633 10.406 5.378 1.00 0.37 C ATOM 2393 C ALA B 48 -11.643 11.545 5.588 1.00 0.39 C ATOM 2394 O ALA B 48 -11.987 12.716 5.418 1.00 0.44 O ATOM 2395 CB ALA B 48 -13.571 10.284 6.560 1.00 0.41 C ATOM 0 H ALA B 48 -12.128 8.440 5.880 1.00 0.32 H new ATOM 0 HA ALA B 48 -13.216 10.637 4.486 1.00 0.37 H new ATOM 0 HB1 ALA B 48 -14.088 11.231 6.714 1.00 0.41 H new ATOM 0 HB2 ALA B 48 -14.302 9.499 6.365 1.00 0.41 H new ATOM 0 HB3 ALA B 48 -12.999 10.033 7.454 1.00 0.41 H new ATOM 2401 N ALA B 49 -10.420 11.192 5.961 1.00 0.38 N ATOM 2402 CA ALA B 49 -9.337 12.156 6.084 1.00 0.41 C ATOM 2403 C ALA B 49 -9.060 12.808 4.740 1.00 0.41 C ATOM 2404 O ALA B 49 -8.852 14.015 4.648 1.00 0.47 O ATOM 2405 CB ALA B 49 -8.086 11.466 6.592 1.00 0.44 C ATOM 0 H ALA B 49 -10.152 10.234 6.186 1.00 0.38 H new ATOM 0 HA ALA B 49 -9.632 12.928 6.795 1.00 0.41 H new ATOM 0 HB1 ALA B 49 -7.280 12.194 6.681 1.00 0.44 H new ATOM 0 HB2 ALA B 49 -8.285 11.024 7.568 1.00 0.44 H new ATOM 0 HB3 ALA B 49 -7.792 10.684 5.892 1.00 0.44 H new ATOM 2411 N PHE B 50 -9.056 11.988 3.705 1.00 0.36 N ATOM 2412 CA PHE B 50 -8.837 12.455 2.350 1.00 0.37 C ATOM 2413 C PHE B 50 -10.148 12.916 1.724 1.00 0.38 C ATOM 2414 O PHE B 50 -10.292 14.067 1.318 1.00 0.44 O ATOM 2415 CB PHE B 50 -8.234 11.326 1.514 1.00 0.35 C ATOM 2416 CG PHE B 50 -7.863 11.732 0.114 1.00 0.70 C ATOM 2417 CD1 PHE B 50 -6.713 12.467 -0.126 1.00 1.63 C ATOM 2418 CD2 PHE B 50 -8.663 11.377 -0.962 1.00 1.33 C ATOM 2419 CE1 PHE B 50 -6.368 12.842 -1.410 1.00 2.10 C ATOM 2420 CE2 PHE B 50 -8.324 11.749 -2.249 1.00 1.67 C ATOM 2421 CZ PHE B 50 -7.175 12.482 -2.473 1.00 1.80 C ATOM 0 H PHE B 50 -9.204 10.982 3.781 1.00 0.36 H new ATOM 0 HA PHE B 50 -8.149 13.300 2.376 1.00 0.37 H new ATOM 0 HB2 PHE B 50 -7.345 10.949 2.019 1.00 0.35 H new ATOM 0 HB3 PHE B 50 -8.947 10.503 1.466 1.00 0.35 H new ATOM 0 HD1 PHE B 50 -6.079 12.750 0.701 1.00 1.63 H new ATOM 0 HD2 PHE B 50 -9.562 10.803 -0.792 1.00 1.33 H new ATOM 0 HE1 PHE B 50 -5.469 13.415 -1.583 1.00 2.10 H new ATOM 0 HE2 PHE B 50 -8.956 11.467 -3.078 1.00 1.67 H new ATOM 0 HZ PHE B 50 -6.907 12.774 -3.478 1.00 1.80 H new ATOM 2431 N THR B 51 -11.104 12.000 1.693 1.00 0.36 N ATOM 2432 CA THR B 51 -12.357 12.181 0.980 1.00 0.40 C ATOM 2433 C THR B 51 -13.148 13.387 1.478 1.00 0.45 C ATOM 2434 O THR B 51 -13.453 14.300 0.717 1.00 0.53 O ATOM 2435 CB THR B 51 -13.221 10.923 1.131 1.00 0.39 C ATOM 2436 OG1 THR B 51 -12.516 9.787 0.617 1.00 0.39 O ATOM 2437 CG2 THR B 51 -14.555 11.072 0.420 1.00 0.49 C ATOM 0 H THR B 51 -11.030 11.100 2.168 1.00 0.36 H new ATOM 0 HA THR B 51 -12.106 12.357 -0.066 1.00 0.40 H new ATOM 0 HB THR B 51 -13.424 10.779 2.192 1.00 0.39 H new ATOM 0 HG1 THR B 51 -12.651 9.021 1.213 1.00 0.39 H new ATOM 0 HG21 THR B 51 -15.140 10.161 0.549 1.00 0.49 H new ATOM 0 HG22 THR B 51 -15.100 11.916 0.842 1.00 0.49 H new ATOM 0 HG23 THR B 51 -14.384 11.246 -0.642 1.00 0.49 H new ATOM 2445 N LYS B 52 -13.461 13.400 2.764 1.00 0.47 N ATOM 2446 CA LYS B 52 -14.349 14.415 3.308 1.00 0.60 C ATOM 2447 C LYS B 52 -13.624 15.739 3.505 1.00 0.69 C ATOM 2448 O LYS B 52 -14.225 16.736 3.910 1.00 0.84 O ATOM 2449 CB LYS B 52 -14.965 13.944 4.625 1.00 0.70 C ATOM 2450 CG LYS B 52 -15.890 12.750 4.464 1.00 0.78 C ATOM 2451 CD LYS B 52 -16.540 12.365 5.781 1.00 1.07 C ATOM 2452 CE LYS B 52 -17.480 11.183 5.611 1.00 1.24 C ATOM 2453 NZ LYS B 52 -18.012 10.704 6.914 1.00 1.82 N ATOM 0 H LYS B 52 -13.116 12.725 3.446 1.00 0.47 H new ATOM 0 HA LYS B 52 -15.150 14.575 2.586 1.00 0.60 H new ATOM 0 HB2 LYS B 52 -14.166 13.684 5.319 1.00 0.70 H new ATOM 0 HB3 LYS B 52 -15.521 14.768 5.073 1.00 0.70 H new ATOM 0 HG2 LYS B 52 -16.662 12.984 3.731 1.00 0.78 H new ATOM 0 HG3 LYS B 52 -15.326 11.902 4.074 1.00 0.78 H new ATOM 0 HD2 LYS B 52 -15.769 12.117 6.510 1.00 1.07 H new ATOM 0 HD3 LYS B 52 -17.092 13.217 6.179 1.00 1.07 H new ATOM 0 HE2 LYS B 52 -18.309 11.469 4.964 1.00 1.24 H new ATOM 0 HE3 LYS B 52 -16.953 10.369 5.113 1.00 1.24 H new ATOM 0 HZ1 LYS B 52 -18.649 9.897 6.754 1.00 1.82 H new ATOM 0 HZ2 LYS B 52 -17.223 10.407 7.523 1.00 1.82 H new ATOM 0 HZ3 LYS B 52 -18.537 11.472 7.378 1.00 1.82 H new ATOM 2467 N ASN B 53 -12.334 15.752 3.214 1.00 0.68 N ATOM 2468 CA ASN B 53 -11.543 16.962 3.362 1.00 0.85 C ATOM 2469 C ASN B 53 -11.284 17.598 1.999 1.00 1.00 C ATOM 2470 O ASN B 53 -11.250 18.822 1.867 1.00 1.22 O ATOM 2471 CB ASN B 53 -10.221 16.632 4.059 1.00 0.92 C ATOM 2472 CG ASN B 53 -9.476 17.853 4.574 1.00 1.40 C ATOM 2473 OD1 ASN B 53 -9.586 18.953 4.032 1.00 1.93 O ATOM 2474 ND2 ASN B 53 -8.697 17.662 5.627 1.00 2.05 N ATOM 0 H ASN B 53 -11.814 14.942 2.875 1.00 0.68 H new ATOM 0 HA ASN B 53 -12.096 17.676 3.972 1.00 0.85 H new ATOM 0 HB2 ASN B 53 -10.419 15.960 4.894 1.00 0.92 H new ATOM 0 HB3 ASN B 53 -9.579 16.093 3.362 1.00 0.92 H new ATOM 0 HD21 ASN B 53 -8.164 18.440 6.015 1.00 2.05 H new ATOM 0 HD22 ASN B 53 -8.630 16.737 6.051 1.00 2.05 H new ATOM 2481 N GLN B 54 -11.144 16.765 0.975 1.00 1.01 N ATOM 2482 CA GLN B 54 -10.816 17.249 -0.358 1.00 1.29 C ATOM 2483 C GLN B 54 -11.721 16.627 -1.413 1.00 1.33 C ATOM 2484 O GLN B 54 -11.646 15.423 -1.662 1.00 2.05 O ATOM 2485 CB GLN B 54 -9.357 16.936 -0.694 1.00 1.74 C ATOM 2486 CG GLN B 54 -8.356 17.644 0.200 1.00 2.17 C ATOM 2487 CD GLN B 54 -6.925 17.290 -0.139 1.00 2.39 C ATOM 2488 OE1 GLN B 54 -6.352 16.353 0.418 1.00 2.90 O ATOM 2489 NE2 GLN B 54 -6.343 18.029 -1.069 1.00 2.71 N ATOM 0 H GLN B 54 -11.252 15.753 1.043 1.00 1.01 H new ATOM 0 HA GLN B 54 -10.969 18.328 -0.362 1.00 1.29 H new ATOM 0 HB2 GLN B 54 -9.200 15.860 -0.619 1.00 1.74 H new ATOM 0 HB3 GLN B 54 -9.165 17.215 -1.730 1.00 1.74 H new ATOM 0 HG2 GLN B 54 -8.492 18.722 0.109 1.00 2.17 H new ATOM 0 HG3 GLN B 54 -8.555 17.384 1.240 1.00 2.17 H new ATOM 0 HE21 GLN B 54 -6.855 18.796 -1.505 1.00 2.71 H new ATOM 0 HE22 GLN B 54 -5.383 17.832 -1.350 1.00 2.71 H new ATOM 2498 N LYS B 55 -12.569 17.465 -2.021 1.00 1.43 N ATOM 2499 CA LYS B 55 -13.414 17.064 -3.150 1.00 1.87 C ATOM 2500 C LYS B 55 -14.603 16.208 -2.699 1.00 1.59 C ATOM 2501 O LYS B 55 -14.471 15.305 -1.877 1.00 2.27 O ATOM 2502 CB LYS B 55 -12.570 16.335 -4.208 1.00 2.84 C ATOM 2503 CG LYS B 55 -13.361 15.732 -5.358 1.00 3.60 C ATOM 2504 CD LYS B 55 -14.151 16.771 -6.135 1.00 4.28 C ATOM 2505 CE LYS B 55 -14.910 16.123 -7.281 1.00 5.02 C ATOM 2506 NZ LYS B 55 -15.813 17.080 -7.965 1.00 5.58 N ATOM 0 H LYS B 55 -12.688 18.439 -1.744 1.00 1.43 H new ATOM 0 HA LYS B 55 -13.830 17.967 -3.597 1.00 1.87 H new ATOM 0 HB2 LYS B 55 -11.842 17.036 -4.616 1.00 2.84 H new ATOM 0 HB3 LYS B 55 -12.008 15.540 -3.718 1.00 2.84 H new ATOM 0 HG2 LYS B 55 -12.677 15.221 -6.035 1.00 3.60 H new ATOM 0 HG3 LYS B 55 -14.045 14.979 -4.967 1.00 3.60 H new ATOM 0 HD2 LYS B 55 -14.850 17.276 -5.469 1.00 4.28 H new ATOM 0 HD3 LYS B 55 -13.475 17.532 -6.524 1.00 4.28 H new ATOM 0 HE2 LYS B 55 -14.200 15.717 -8.002 1.00 5.02 H new ATOM 0 HE3 LYS B 55 -15.493 15.284 -6.901 1.00 5.02 H new ATOM 0 HZ1 LYS B 55 -16.180 16.648 -8.837 1.00 5.58 H new ATOM 0 HZ2 LYS B 55 -16.606 17.319 -7.336 1.00 5.58 H new ATOM 0 HZ3 LYS B 55 -15.287 17.945 -8.202 1.00 5.58 H new ATOM 2520 N ASP B 56 -15.774 16.536 -3.238 1.00 1.36 N ATOM 2521 CA ASP B 56 -17.006 15.793 -2.970 1.00 1.50 C ATOM 2522 C ASP B 56 -16.853 14.330 -3.400 1.00 1.27 C ATOM 2523 O ASP B 56 -16.034 14.017 -4.266 1.00 1.44 O ATOM 2524 CB ASP B 56 -18.177 16.445 -3.721 1.00 2.13 C ATOM 2525 CG ASP B 56 -18.066 16.311 -5.226 1.00 2.84 C ATOM 2526 OD1 ASP B 56 -18.499 15.275 -5.774 1.00 3.39 O ATOM 2527 OD2 ASP B 56 -17.552 17.252 -5.872 1.00 3.44 O ATOM 0 H ASP B 56 -15.898 17.324 -3.873 1.00 1.36 H new ATOM 0 HA ASP B 56 -17.208 15.818 -1.899 1.00 1.50 H new ATOM 0 HB2 ASP B 56 -19.111 15.991 -3.390 1.00 2.13 H new ATOM 0 HB3 ASP B 56 -18.226 17.502 -3.459 1.00 2.13 H new ATOM 2532 N PRO B 57 -17.663 13.421 -2.807 1.00 1.06 N ATOM 2533 CA PRO B 57 -17.534 11.956 -2.980 1.00 1.02 C ATOM 2534 C PRO B 57 -17.661 11.479 -4.423 1.00 0.76 C ATOM 2535 O PRO B 57 -17.502 10.289 -4.698 1.00 0.70 O ATOM 2536 CB PRO B 57 -18.693 11.396 -2.148 1.00 1.20 C ATOM 2537 CG PRO B 57 -19.652 12.526 -2.068 1.00 1.20 C ATOM 2538 CD PRO B 57 -18.790 13.737 -1.915 1.00 1.14 C ATOM 0 HA PRO B 57 -16.542 11.623 -2.673 1.00 1.02 H new ATOM 0 HB2 PRO B 57 -19.142 10.524 -2.624 1.00 1.20 H new ATOM 0 HB3 PRO B 57 -18.360 11.083 -1.158 1.00 1.20 H new ATOM 0 HG2 PRO B 57 -20.268 12.588 -2.965 1.00 1.20 H new ATOM 0 HG3 PRO B 57 -20.330 12.412 -1.222 1.00 1.20 H new ATOM 0 HD2 PRO B 57 -19.307 14.648 -2.217 1.00 1.14 H new ATOM 0 HD3 PRO B 57 -18.467 13.881 -0.884 1.00 1.14 H new ATOM 2546 N GLY B 58 -17.948 12.392 -5.340 1.00 0.67 N ATOM 2547 CA GLY B 58 -17.945 12.049 -6.746 1.00 0.56 C ATOM 2548 C GLY B 58 -16.560 11.669 -7.212 1.00 0.49 C ATOM 2549 O GLY B 58 -16.389 11.034 -8.252 1.00 0.48 O ATOM 0 H GLY B 58 -18.183 13.363 -5.135 1.00 0.67 H new ATOM 0 HA2 GLY B 58 -18.631 11.221 -6.922 1.00 0.56 H new ATOM 0 HA3 GLY B 58 -18.309 12.894 -7.330 1.00 0.56 H new ATOM 2553 N VAL B 59 -15.567 12.066 -6.431 1.00 0.52 N ATOM 2554 CA VAL B 59 -14.190 11.692 -6.690 1.00 0.52 C ATOM 2555 C VAL B 59 -14.012 10.197 -6.570 1.00 0.49 C ATOM 2556 O VAL B 59 -13.272 9.598 -7.336 1.00 0.49 O ATOM 2557 CB VAL B 59 -13.217 12.388 -5.722 1.00 0.61 C ATOM 2558 CG1 VAL B 59 -13.608 12.122 -4.280 1.00 0.65 C ATOM 2559 CG2 VAL B 59 -11.790 11.935 -5.975 1.00 0.66 C ATOM 0 H VAL B 59 -15.694 12.652 -5.606 1.00 0.52 H new ATOM 0 HA VAL B 59 -13.962 12.012 -7.706 1.00 0.52 H new ATOM 0 HB VAL B 59 -13.275 13.462 -5.901 1.00 0.61 H new ATOM 0 HG11 VAL B 59 -12.906 12.624 -3.614 1.00 0.65 H new ATOM 0 HG12 VAL B 59 -14.614 12.502 -4.100 1.00 0.65 H new ATOM 0 HG13 VAL B 59 -13.586 11.049 -4.089 1.00 0.65 H new ATOM 0 HG21 VAL B 59 -11.119 12.440 -5.280 1.00 0.66 H new ATOM 0 HG22 VAL B 59 -11.719 10.857 -5.830 1.00 0.66 H new ATOM 0 HG23 VAL B 59 -11.506 12.183 -6.998 1.00 0.66 H new ATOM 2569 N LEU B 60 -14.723 9.596 -5.630 1.00 0.48 N ATOM 2570 CA LEU B 60 -14.611 8.165 -5.383 1.00 0.46 C ATOM 2571 C LEU B 60 -15.050 7.393 -6.615 1.00 0.43 C ATOM 2572 O LEU B 60 -14.713 6.226 -6.798 1.00 0.41 O ATOM 2573 CB LEU B 60 -15.464 7.760 -4.184 1.00 0.48 C ATOM 2574 CG LEU B 60 -15.329 8.667 -2.956 1.00 0.52 C ATOM 2575 CD1 LEU B 60 -16.154 8.131 -1.797 1.00 0.51 C ATOM 2576 CD2 LEU B 60 -13.871 8.819 -2.559 1.00 0.52 C ATOM 0 H LEU B 60 -15.386 10.077 -5.023 1.00 0.48 H new ATOM 0 HA LEU B 60 -13.570 7.930 -5.163 1.00 0.46 H new ATOM 0 HB2 LEU B 60 -16.510 7.743 -4.491 1.00 0.48 H new ATOM 0 HB3 LEU B 60 -15.199 6.743 -3.896 1.00 0.48 H new ATOM 0 HG LEU B 60 -15.714 9.653 -3.216 1.00 0.52 H new ATOM 0 HD11 LEU B 60 -16.043 8.790 -0.936 1.00 0.51 H new ATOM 0 HD12 LEU B 60 -17.204 8.087 -2.087 1.00 0.51 H new ATOM 0 HD13 LEU B 60 -15.807 7.131 -1.535 1.00 0.51 H new ATOM 0 HD21 LEU B 60 -13.797 9.467 -1.685 1.00 0.52 H new ATOM 0 HD22 LEU B 60 -13.455 7.840 -2.321 1.00 0.52 H new ATOM 0 HD23 LEU B 60 -13.313 9.260 -3.385 1.00 0.52 H new ATOM 2588 N ASP B 61 -15.787 8.082 -7.467 1.00 0.46 N ATOM 2589 CA ASP B 61 -16.268 7.513 -8.719 1.00 0.46 C ATOM 2590 C ASP B 61 -15.171 7.586 -9.764 1.00 0.47 C ATOM 2591 O ASP B 61 -15.040 6.717 -10.628 1.00 0.51 O ATOM 2592 CB ASP B 61 -17.508 8.268 -9.197 1.00 0.47 C ATOM 2593 CG ASP B 61 -18.234 7.558 -10.321 1.00 0.48 C ATOM 2594 OD1 ASP B 61 -19.135 6.739 -10.029 1.00 1.22 O ATOM 2595 OD2 ASP B 61 -17.920 7.827 -11.498 1.00 1.19 O ATOM 0 H ASP B 61 -16.070 9.050 -7.314 1.00 0.46 H new ATOM 0 HA ASP B 61 -16.539 6.469 -8.560 1.00 0.46 H new ATOM 0 HB2 ASP B 61 -18.191 8.403 -8.358 1.00 0.47 H new ATOM 0 HB3 ASP B 61 -17.215 9.263 -9.532 1.00 0.47 H new ATOM 2600 N ARG B 62 -14.363 8.622 -9.647 1.00 0.47 N ATOM 2601 CA ARG B 62 -13.213 8.804 -10.512 1.00 0.51 C ATOM 2602 C ARG B 62 -12.137 7.813 -10.094 1.00 0.50 C ATOM 2603 O ARG B 62 -11.410 7.266 -10.924 1.00 0.56 O ATOM 2604 CB ARG B 62 -12.684 10.232 -10.389 1.00 0.55 C ATOM 2605 CG ARG B 62 -13.781 11.280 -10.278 1.00 0.55 C ATOM 2606 CD ARG B 62 -13.206 12.658 -10.015 1.00 0.62 C ATOM 2607 NE ARG B 62 -12.407 13.151 -11.137 1.00 1.45 N ATOM 2608 CZ ARG B 62 -11.490 14.114 -11.034 1.00 1.97 C ATOM 2609 NH1 ARG B 62 -11.265 14.701 -9.864 1.00 1.66 N ATOM 2610 NH2 ARG B 62 -10.800 14.492 -12.104 1.00 3.02 N ATOM 0 H ARG B 62 -14.484 9.359 -8.952 1.00 0.47 H new ATOM 0 HA ARG B 62 -13.497 8.632 -11.550 1.00 0.51 H new ATOM 0 HB2 ARG B 62 -12.040 10.298 -9.512 1.00 0.55 H new ATOM 0 HB3 ARG B 62 -12.064 10.457 -11.257 1.00 0.55 H new ATOM 0 HG2 ARG B 62 -14.364 11.297 -11.199 1.00 0.55 H new ATOM 0 HG3 ARG B 62 -14.464 11.010 -9.473 1.00 0.55 H new ATOM 0 HD2 ARG B 62 -14.019 13.356 -9.817 1.00 0.62 H new ATOM 0 HD3 ARG B 62 -12.587 12.626 -9.118 1.00 0.62 H new ATOM 0 HE ARG B 62 -12.561 12.733 -12.054 1.00 1.45 H new ATOM 0 HH11 ARG B 62 -11.794 14.416 -9.040 1.00 1.66 H new ATOM 0 HH12 ARG B 62 -10.563 15.437 -9.789 1.00 1.66 H new ATOM 0 HH21 ARG B 62 -10.971 14.046 -13.005 1.00 3.02 H new ATOM 0 HH22 ARG B 62 -10.099 15.229 -12.025 1.00 3.02 H new ATOM 2624 N MET B 63 -12.064 7.592 -8.787 1.00 0.45 N ATOM 2625 CA MET B 63 -11.157 6.609 -8.212 1.00 0.44 C ATOM 2626 C MET B 63 -11.578 5.239 -8.686 1.00 0.41 C ATOM 2627 O MET B 63 -10.760 4.462 -9.163 1.00 0.42 O ATOM 2628 CB MET B 63 -11.197 6.631 -6.681 1.00 0.43 C ATOM 2629 CG MET B 63 -11.204 8.026 -6.078 1.00 0.49 C ATOM 2630 SD MET B 63 -9.641 8.903 -6.273 1.00 0.63 S ATOM 2631 CE MET B 63 -8.584 7.983 -5.163 1.00 1.54 C ATOM 0 H MET B 63 -12.630 8.088 -8.099 1.00 0.45 H new ATOM 0 HA MET B 63 -10.142 6.847 -8.530 1.00 0.44 H new ATOM 0 HB2 MET B 63 -12.086 6.097 -6.344 1.00 0.43 H new ATOM 0 HB3 MET B 63 -10.334 6.086 -6.298 1.00 0.43 H new ATOM 0 HG2 MET B 63 -11.999 8.610 -6.542 1.00 0.49 H new ATOM 0 HG3 MET B 63 -11.440 7.953 -5.016 1.00 0.49 H new ATOM 0 HE1 MET B 63 -7.691 8.568 -4.942 1.00 1.54 H new ATOM 0 HE2 MET B 63 -9.121 7.776 -4.237 1.00 1.54 H new ATOM 0 HE3 MET B 63 -8.294 7.043 -5.632 1.00 1.54 H new ATOM 2641 N MET B 64 -12.880 4.974 -8.553 1.00 0.41 N ATOM 2642 CA MET B 64 -13.483 3.728 -9.003 1.00 0.42 C ATOM 2643 C MET B 64 -12.938 3.306 -10.340 1.00 0.44 C ATOM 2644 O MET B 64 -12.302 2.280 -10.451 1.00 0.41 O ATOM 2645 CB MET B 64 -14.999 3.866 -9.122 1.00 0.55 C ATOM 2646 CG MET B 64 -15.664 2.633 -9.714 1.00 0.65 C ATOM 2647 SD MET B 64 -17.379 2.920 -10.177 1.00 1.87 S ATOM 2648 CE MET B 64 -17.897 1.253 -10.568 1.00 2.41 C ATOM 0 H MET B 64 -13.543 5.623 -8.128 1.00 0.41 H new ATOM 0 HA MET B 64 -13.238 2.972 -8.257 1.00 0.42 H new ATOM 0 HB2 MET B 64 -15.419 4.060 -8.135 1.00 0.55 H new ATOM 0 HB3 MET B 64 -15.232 4.731 -9.743 1.00 0.55 H new ATOM 0 HG2 MET B 64 -15.105 2.310 -10.592 1.00 0.65 H new ATOM 0 HG3 MET B 64 -15.619 1.819 -8.991 1.00 0.65 H new ATOM 0 HE1 MET B 64 -18.871 1.280 -11.057 1.00 2.41 H new ATOM 0 HE2 MET B 64 -17.169 0.793 -11.236 1.00 2.41 H new ATOM 0 HE3 MET B 64 -17.968 0.669 -9.650 1.00 2.41 H new ATOM 2658 N LYS B 65 -13.161 4.118 -11.339 1.00 0.52 N ATOM 2659 CA LYS B 65 -12.863 3.716 -12.700 1.00 0.56 C ATOM 2660 C LYS B 65 -11.379 3.786 -13.032 1.00 0.54 C ATOM 2661 O LYS B 65 -10.925 3.158 -13.987 1.00 0.60 O ATOM 2662 CB LYS B 65 -13.733 4.493 -13.668 1.00 0.67 C ATOM 2663 CG LYS B 65 -15.172 4.020 -13.585 1.00 0.79 C ATOM 2664 CD LYS B 65 -15.293 2.599 -14.124 1.00 0.86 C ATOM 2665 CE LYS B 65 -16.685 2.023 -13.947 1.00 1.57 C ATOM 2666 NZ LYS B 65 -16.726 0.580 -14.313 1.00 2.49 N ATOM 0 H LYS B 65 -13.546 5.058 -11.244 1.00 0.52 H new ATOM 0 HA LYS B 65 -13.110 2.659 -12.803 1.00 0.56 H new ATOM 0 HB2 LYS B 65 -13.680 5.558 -13.440 1.00 0.67 H new ATOM 0 HB3 LYS B 65 -13.360 4.366 -14.684 1.00 0.67 H new ATOM 0 HG2 LYS B 65 -15.514 4.054 -12.551 1.00 0.79 H new ATOM 0 HG3 LYS B 65 -15.816 4.689 -14.156 1.00 0.79 H new ATOM 0 HD2 LYS B 65 -15.034 2.593 -15.183 1.00 0.86 H new ATOM 0 HD3 LYS B 65 -14.572 1.959 -13.615 1.00 0.86 H new ATOM 0 HE2 LYS B 65 -17.003 2.147 -12.912 1.00 1.57 H new ATOM 0 HE3 LYS B 65 -17.391 2.577 -14.565 1.00 1.57 H new ATOM 0 HZ1 LYS B 65 -17.618 0.162 -13.979 1.00 2.49 H new ATOM 0 HZ2 LYS B 65 -16.664 0.482 -15.347 1.00 2.49 H new ATOM 0 HZ3 LYS B 65 -15.925 0.087 -13.870 1.00 2.49 H new ATOM 2680 N LYS B 66 -10.630 4.550 -12.258 1.00 0.50 N ATOM 2681 CA LYS B 66 -9.176 4.511 -12.350 1.00 0.52 C ATOM 2682 C LYS B 66 -8.660 3.157 -11.866 1.00 0.48 C ATOM 2683 O LYS B 66 -7.740 2.576 -12.445 1.00 0.54 O ATOM 2684 CB LYS B 66 -8.554 5.625 -11.503 1.00 0.55 C ATOM 2685 CG LYS B 66 -7.037 5.545 -11.413 1.00 0.91 C ATOM 2686 CD LYS B 66 -6.451 6.701 -10.614 1.00 0.96 C ATOM 2687 CE LYS B 66 -7.012 6.765 -9.200 1.00 0.73 C ATOM 2688 NZ LYS B 66 -6.436 7.899 -8.430 1.00 1.47 N ATOM 0 H LYS B 66 -10.997 5.201 -11.563 1.00 0.50 H new ATOM 0 HA LYS B 66 -8.893 4.659 -13.392 1.00 0.52 H new ATOM 0 HB2 LYS B 66 -8.834 6.590 -11.924 1.00 0.55 H new ATOM 0 HB3 LYS B 66 -8.972 5.582 -10.497 1.00 0.55 H new ATOM 0 HG2 LYS B 66 -6.751 4.601 -10.948 1.00 0.91 H new ATOM 0 HG3 LYS B 66 -6.614 5.547 -12.417 1.00 0.91 H new ATOM 0 HD2 LYS B 66 -5.367 6.597 -10.569 1.00 0.96 H new ATOM 0 HD3 LYS B 66 -6.660 7.639 -11.129 1.00 0.96 H new ATOM 0 HE2 LYS B 66 -8.096 6.868 -9.243 1.00 0.73 H new ATOM 0 HE3 LYS B 66 -6.801 5.829 -8.682 1.00 0.73 H new ATOM 0 HZ1 LYS B 66 -6.842 7.910 -7.472 1.00 1.47 H new ATOM 0 HZ2 LYS B 66 -5.404 7.787 -8.367 1.00 1.47 H new ATOM 0 HZ3 LYS B 66 -6.659 8.794 -8.911 1.00 1.47 H new ATOM 2702 N LEU B 67 -9.281 2.656 -10.811 1.00 0.41 N ATOM 2703 CA LEU B 67 -8.816 1.454 -10.139 1.00 0.39 C ATOM 2704 C LEU B 67 -9.522 0.207 -10.657 1.00 0.40 C ATOM 2705 O LEU B 67 -8.947 -0.874 -10.659 1.00 0.46 O ATOM 2706 CB LEU B 67 -9.064 1.588 -8.651 1.00 0.34 C ATOM 2707 CG LEU B 67 -8.578 2.902 -8.030 1.00 0.33 C ATOM 2708 CD1 LEU B 67 -9.092 3.040 -6.610 1.00 0.30 C ATOM 2709 CD2 LEU B 67 -7.061 2.998 -8.061 1.00 0.37 C ATOM 0 H LEU B 67 -10.117 3.069 -10.398 1.00 0.41 H new ATOM 0 HA LEU B 67 -7.751 1.345 -10.342 1.00 0.39 H new ATOM 0 HB2 LEU B 67 -10.134 1.490 -8.466 1.00 0.34 H new ATOM 0 HB3 LEU B 67 -8.574 0.759 -8.140 1.00 0.34 H new ATOM 0 HG LEU B 67 -8.977 3.723 -8.626 1.00 0.33 H new ATOM 0 HD11 LEU B 67 -8.737 3.979 -6.184 1.00 0.30 H new ATOM 0 HD12 LEU B 67 -10.182 3.033 -6.615 1.00 0.30 H new ATOM 0 HD13 LEU B 67 -8.727 2.208 -6.008 1.00 0.30 H new ATOM 0 HD21 LEU B 67 -6.747 3.941 -7.614 1.00 0.37 H new ATOM 0 HD22 LEU B 67 -6.632 2.169 -7.498 1.00 0.37 H new ATOM 0 HD23 LEU B 67 -6.715 2.953 -9.094 1.00 0.37 H new ATOM 2721 N ASP B 68 -10.776 0.362 -11.069 1.00 0.39 N ATOM 2722 CA ASP B 68 -11.578 -0.743 -11.599 1.00 0.42 C ATOM 2723 C ASP B 68 -11.050 -1.131 -12.961 1.00 0.52 C ATOM 2724 O ASP B 68 -11.665 -0.907 -14.004 1.00 0.57 O ATOM 2725 CB ASP B 68 -13.062 -0.355 -11.649 1.00 0.43 C ATOM 2726 CG ASP B 68 -13.964 -1.392 -12.309 1.00 0.46 C ATOM 2727 OD1 ASP B 68 -13.736 -2.607 -12.125 1.00 1.23 O ATOM 2728 OD2 ASP B 68 -14.926 -0.985 -13.002 1.00 1.13 O ATOM 0 H ASP B 68 -11.268 1.255 -11.046 1.00 0.39 H new ATOM 0 HA ASP B 68 -11.497 -1.608 -10.940 1.00 0.42 H new ATOM 0 HB2 ASP B 68 -13.414 -0.181 -10.632 1.00 0.43 H new ATOM 0 HB3 ASP B 68 -13.160 0.588 -12.186 1.00 0.43 H new ATOM 2733 N THR B 69 -9.859 -1.670 -12.915 1.00 0.58 N ATOM 2734 CA THR B 69 -9.141 -2.113 -14.080 1.00 0.74 C ATOM 2735 C THR B 69 -9.801 -3.360 -14.657 1.00 0.83 C ATOM 2736 O THR B 69 -9.582 -3.732 -15.810 1.00 0.99 O ATOM 2737 CB THR B 69 -7.682 -2.391 -13.682 1.00 0.79 C ATOM 2738 OG1 THR B 69 -6.816 -2.249 -14.816 1.00 0.91 O ATOM 2739 CG2 THR B 69 -7.534 -3.788 -13.095 1.00 0.82 C ATOM 0 H THR B 69 -9.350 -1.816 -12.044 1.00 0.58 H new ATOM 0 HA THR B 69 -9.160 -1.342 -14.850 1.00 0.74 H new ATOM 0 HB THR B 69 -7.399 -1.662 -12.923 1.00 0.79 H new ATOM 0 HG1 THR B 69 -5.891 -2.428 -14.546 1.00 0.91 H new ATOM 0 HG21 THR B 69 -6.493 -3.959 -12.822 1.00 0.82 H new ATOM 0 HG22 THR B 69 -8.161 -3.878 -12.208 1.00 0.82 H new ATOM 0 HG23 THR B 69 -7.842 -4.528 -13.834 1.00 0.82 H new ATOM 2747 N ASN B 70 -10.635 -3.977 -13.836 1.00 0.80 N ATOM 2748 CA ASN B 70 -11.345 -5.183 -14.211 1.00 0.94 C ATOM 2749 C ASN B 70 -12.623 -4.807 -14.950 1.00 0.86 C ATOM 2750 O ASN B 70 -13.242 -5.625 -15.629 1.00 0.98 O ATOM 2751 CB ASN B 70 -11.662 -5.969 -12.936 1.00 1.00 C ATOM 2752 CG ASN B 70 -11.998 -7.435 -13.170 1.00 1.25 C ATOM 2753 OD1 ASN B 70 -12.558 -7.814 -14.198 1.00 1.46 O ATOM 2754 ND2 ASN B 70 -11.644 -8.275 -12.209 1.00 1.66 N ATOM 0 H ASN B 70 -10.837 -3.653 -12.890 1.00 0.80 H new ATOM 0 HA ASN B 70 -10.738 -5.801 -14.873 1.00 0.94 H new ATOM 0 HB2 ASN B 70 -10.807 -5.908 -12.263 1.00 1.00 H new ATOM 0 HB3 ASN B 70 -12.501 -5.493 -12.429 1.00 1.00 H new ATOM 0 HD21 ASN B 70 -11.834 -9.272 -12.308 1.00 1.66 H new ATOM 0 HD22 ASN B 70 -11.181 -7.925 -11.370 1.00 1.66 H new ATOM 2761 N SER B 71 -12.978 -3.525 -14.823 1.00 0.70 N ATOM 2762 CA SER B 71 -14.165 -2.958 -15.447 1.00 0.66 C ATOM 2763 C SER B 71 -15.401 -3.743 -15.045 1.00 0.61 C ATOM 2764 O SER B 71 -16.329 -3.930 -15.834 1.00 0.66 O ATOM 2765 CB SER B 71 -14.005 -2.922 -16.967 1.00 0.82 C ATOM 2766 OG SER B 71 -12.870 -2.153 -17.337 1.00 1.48 O ATOM 0 H SER B 71 -12.441 -2.850 -14.278 1.00 0.70 H new ATOM 0 HA SER B 71 -14.288 -1.933 -15.098 1.00 0.66 H new ATOM 0 HB2 SER B 71 -13.903 -3.937 -17.350 1.00 0.82 H new ATOM 0 HB3 SER B 71 -14.901 -2.498 -17.421 1.00 0.82 H new ATOM 0 HG SER B 71 -12.785 -2.144 -18.313 1.00 1.48 H new ATOM 2772 N ASP B 72 -15.402 -4.188 -13.803 1.00 0.58 N ATOM 2773 CA ASP B 72 -16.472 -5.021 -13.290 1.00 0.65 C ATOM 2774 C ASP B 72 -17.343 -4.214 -12.344 1.00 0.56 C ATOM 2775 O ASP B 72 -18.480 -4.584 -12.051 1.00 0.66 O ATOM 2776 CB ASP B 72 -15.889 -6.241 -12.572 1.00 0.80 C ATOM 2777 CG ASP B 72 -16.947 -7.262 -12.203 1.00 0.92 C ATOM 2778 OD1 ASP B 72 -17.393 -8.009 -13.100 1.00 1.56 O ATOM 2779 OD2 ASP B 72 -17.324 -7.336 -11.014 1.00 1.53 O ATOM 0 H ASP B 72 -14.667 -3.984 -13.126 1.00 0.58 H new ATOM 0 HA ASP B 72 -17.086 -5.369 -14.121 1.00 0.65 H new ATOM 0 HB2 ASP B 72 -15.143 -6.712 -13.212 1.00 0.80 H new ATOM 0 HB3 ASP B 72 -15.374 -5.914 -11.669 1.00 0.80 H new ATOM 2784 N GLY B 73 -16.806 -3.093 -11.883 1.00 0.45 N ATOM 2785 CA GLY B 73 -17.546 -2.236 -10.986 1.00 0.46 C ATOM 2786 C GLY B 73 -17.131 -2.434 -9.552 1.00 0.41 C ATOM 2787 O GLY B 73 -17.756 -1.904 -8.631 1.00 0.44 O ATOM 0 H GLY B 73 -15.869 -2.763 -12.116 1.00 0.45 H new ATOM 0 HA2 GLY B 73 -17.391 -1.195 -11.268 1.00 0.46 H new ATOM 0 HA3 GLY B 73 -18.612 -2.439 -11.087 1.00 0.46 H new ATOM 2791 N GLN B 74 -16.073 -3.204 -9.362 1.00 0.38 N ATOM 2792 CA GLN B 74 -15.527 -3.432 -8.047 1.00 0.37 C ATOM 2793 C GLN B 74 -14.035 -3.189 -8.080 1.00 0.36 C ATOM 2794 O GLN B 74 -13.407 -3.237 -9.136 1.00 0.39 O ATOM 2795 CB GLN B 74 -15.773 -4.863 -7.570 1.00 0.38 C ATOM 2796 CG GLN B 74 -17.203 -5.354 -7.687 1.00 0.41 C ATOM 2797 CD GLN B 74 -17.418 -6.663 -6.948 1.00 0.49 C ATOM 2798 OE1 GLN B 74 -17.291 -7.746 -7.521 1.00 1.02 O ATOM 2799 NE2 GLN B 74 -17.709 -6.572 -5.659 1.00 1.25 N ATOM 0 H GLN B 74 -15.576 -3.683 -10.113 1.00 0.38 H new ATOM 0 HA GLN B 74 -16.022 -2.748 -7.358 1.00 0.37 H new ATOM 0 HB2 GLN B 74 -15.130 -5.533 -8.140 1.00 0.38 H new ATOM 0 HB3 GLN B 74 -15.466 -4.937 -6.527 1.00 0.38 H new ATOM 0 HG2 GLN B 74 -17.880 -4.598 -7.289 1.00 0.41 H new ATOM 0 HG3 GLN B 74 -17.456 -5.486 -8.739 1.00 0.41 H new ATOM 0 HE21 GLN B 74 -17.806 -5.656 -5.221 1.00 1.25 H new ATOM 0 HE22 GLN B 74 -17.836 -7.418 -5.104 1.00 1.25 H new ATOM 2808 N LEU B 75 -13.472 -2.947 -6.922 1.00 0.33 N ATOM 2809 CA LEU B 75 -12.041 -2.750 -6.800 1.00 0.31 C ATOM 2810 C LEU B 75 -11.431 -3.888 -6.048 1.00 0.32 C ATOM 2811 O LEU B 75 -11.783 -4.145 -4.899 1.00 0.32 O ATOM 2812 CB LEU B 75 -11.733 -1.444 -6.093 1.00 0.31 C ATOM 2813 CG LEU B 75 -12.292 -0.215 -6.791 1.00 0.32 C ATOM 2814 CD1 LEU B 75 -11.838 1.055 -6.099 1.00 0.35 C ATOM 2815 CD2 LEU B 75 -11.870 -0.228 -8.246 1.00 0.35 C ATOM 0 H LEU B 75 -13.984 -2.881 -6.042 1.00 0.33 H new ATOM 0 HA LEU B 75 -11.615 -2.709 -7.803 1.00 0.31 H new ATOM 0 HB2 LEU B 75 -12.134 -1.488 -5.080 1.00 0.31 H new ATOM 0 HB3 LEU B 75 -10.652 -1.338 -6.003 1.00 0.31 H new ATOM 0 HG LEU B 75 -13.381 -0.239 -6.740 1.00 0.32 H new ATOM 0 HD11 LEU B 75 -12.252 1.920 -6.618 1.00 0.35 H new ATOM 0 HD12 LEU B 75 -12.186 1.051 -5.066 1.00 0.35 H new ATOM 0 HD13 LEU B 75 -10.749 1.109 -6.115 1.00 0.35 H new ATOM 0 HD21 LEU B 75 -12.270 0.653 -8.749 1.00 0.35 H new ATOM 0 HD22 LEU B 75 -10.782 -0.219 -8.309 1.00 0.35 H new ATOM 0 HD23 LEU B 75 -12.254 -1.127 -8.728 1.00 0.35 H new ATOM 2827 N ASP B 76 -10.515 -4.572 -6.684 1.00 0.35 N ATOM 2828 CA ASP B 76 -9.921 -5.715 -6.050 1.00 0.36 C ATOM 2829 C ASP B 76 -8.781 -5.258 -5.183 1.00 0.33 C ATOM 2830 O ASP B 76 -8.302 -4.142 -5.337 1.00 0.32 O ATOM 2831 CB ASP B 76 -9.477 -6.769 -7.064 1.00 0.44 C ATOM 2832 CG ASP B 76 -8.060 -6.592 -7.578 1.00 0.91 C ATOM 2833 OD1 ASP B 76 -7.110 -7.019 -6.888 1.00 1.68 O ATOM 2834 OD2 ASP B 76 -7.897 -6.058 -8.690 1.00 1.44 O ATOM 0 H ASP B 76 -10.171 -4.362 -7.621 1.00 0.35 H new ATOM 0 HA ASP B 76 -10.671 -6.200 -5.426 1.00 0.36 H new ATOM 0 HB2 ASP B 76 -9.563 -7.754 -6.606 1.00 0.44 H new ATOM 0 HB3 ASP B 76 -10.162 -6.751 -7.912 1.00 0.44 H new ATOM 2839 N PHE B 77 -8.388 -6.106 -4.261 1.00 0.40 N ATOM 2840 CA PHE B 77 -7.355 -5.789 -3.289 1.00 0.49 C ATOM 2841 C PHE B 77 -6.151 -5.071 -3.918 1.00 0.39 C ATOM 2842 O PHE B 77 -5.691 -4.055 -3.402 1.00 0.38 O ATOM 2843 CB PHE B 77 -6.918 -7.080 -2.619 1.00 0.72 C ATOM 2844 CG PHE B 77 -7.762 -7.486 -1.444 1.00 1.75 C ATOM 2845 CD1 PHE B 77 -9.099 -7.806 -1.609 1.00 2.66 C ATOM 2846 CD2 PHE B 77 -7.212 -7.569 -0.175 1.00 2.56 C ATOM 2847 CE1 PHE B 77 -9.871 -8.199 -0.535 1.00 3.77 C ATOM 2848 CE2 PHE B 77 -7.980 -7.959 0.904 1.00 3.67 C ATOM 2849 CZ PHE B 77 -9.311 -8.276 0.723 1.00 4.14 C ATOM 0 H PHE B 77 -8.776 -7.044 -4.160 1.00 0.40 H new ATOM 0 HA PHE B 77 -7.770 -5.097 -2.556 1.00 0.49 H new ATOM 0 HB2 PHE B 77 -6.935 -7.882 -3.357 1.00 0.72 H new ATOM 0 HB3 PHE B 77 -5.885 -6.972 -2.289 1.00 0.72 H new ATOM 0 HD1 PHE B 77 -9.544 -7.747 -2.592 1.00 2.66 H new ATOM 0 HD2 PHE B 77 -6.170 -7.326 -0.028 1.00 2.56 H new ATOM 0 HE1 PHE B 77 -10.912 -8.446 -0.679 1.00 3.77 H new ATOM 0 HE2 PHE B 77 -7.540 -8.016 1.889 1.00 3.67 H new ATOM 0 HZ PHE B 77 -9.913 -8.584 1.565 1.00 4.14 H new ATOM 2859 N SER B 78 -5.671 -5.587 -5.043 1.00 0.38 N ATOM 2860 CA SER B 78 -4.522 -5.019 -5.736 1.00 0.38 C ATOM 2861 C SER B 78 -4.850 -3.644 -6.324 1.00 0.38 C ATOM 2862 O SER B 78 -4.008 -2.740 -6.325 1.00 0.44 O ATOM 2863 CB SER B 78 -4.065 -5.975 -6.843 1.00 0.44 C ATOM 2864 OG SER B 78 -2.857 -5.540 -7.441 1.00 1.32 O ATOM 0 H SER B 78 -6.066 -6.409 -5.499 1.00 0.38 H new ATOM 0 HA SER B 78 -3.716 -4.887 -5.014 1.00 0.38 H new ATOM 0 HB2 SER B 78 -3.928 -6.974 -6.428 1.00 0.44 H new ATOM 0 HB3 SER B 78 -4.842 -6.050 -7.604 1.00 0.44 H new ATOM 0 HG SER B 78 -2.593 -6.172 -8.141 1.00 1.32 H new ATOM 2870 N GLU B 79 -6.072 -3.477 -6.816 1.00 0.36 N ATOM 2871 CA GLU B 79 -6.491 -2.210 -7.392 1.00 0.42 C ATOM 2872 C GLU B 79 -6.836 -1.219 -6.298 1.00 0.33 C ATOM 2873 O GLU B 79 -6.681 -0.009 -6.455 1.00 0.33 O ATOM 2874 CB GLU B 79 -7.674 -2.408 -8.330 1.00 0.51 C ATOM 2875 CG GLU B 79 -7.319 -3.221 -9.558 1.00 0.64 C ATOM 2876 CD GLU B 79 -6.036 -2.746 -10.211 1.00 1.81 C ATOM 2877 OE1 GLU B 79 -5.988 -1.586 -10.665 1.00 2.54 O ATOM 2878 OE2 GLU B 79 -5.062 -3.531 -10.258 1.00 2.57 O ATOM 0 H GLU B 79 -6.788 -4.204 -6.827 1.00 0.36 H new ATOM 0 HA GLU B 79 -5.662 -1.807 -7.973 1.00 0.42 H new ATOM 0 HB2 GLU B 79 -8.480 -2.906 -7.791 1.00 0.51 H new ATOM 0 HB3 GLU B 79 -8.052 -1.434 -8.641 1.00 0.51 H new ATOM 0 HG2 GLU B 79 -7.216 -4.270 -9.279 1.00 0.64 H new ATOM 0 HG3 GLU B 79 -8.135 -3.162 -10.279 1.00 0.64 H new ATOM 2885 N PHE B 80 -7.296 -1.745 -5.181 1.00 0.28 N ATOM 2886 CA PHE B 80 -7.549 -0.940 -4.010 1.00 0.25 C ATOM 2887 C PHE B 80 -6.219 -0.504 -3.398 1.00 0.23 C ATOM 2888 O PHE B 80 -6.145 0.484 -2.675 1.00 0.26 O ATOM 2889 CB PHE B 80 -8.388 -1.721 -3.002 1.00 0.31 C ATOM 2890 CG PHE B 80 -9.436 -0.882 -2.336 1.00 0.71 C ATOM 2891 CD1 PHE B 80 -10.410 -0.254 -3.089 1.00 1.60 C ATOM 2892 CD2 PHE B 80 -9.445 -0.716 -0.968 1.00 1.26 C ATOM 2893 CE1 PHE B 80 -11.375 0.524 -2.485 1.00 1.98 C ATOM 2894 CE2 PHE B 80 -10.407 0.060 -0.357 1.00 1.56 C ATOM 2895 CZ PHE B 80 -11.375 0.681 -1.117 1.00 1.64 C ATOM 0 H PHE B 80 -7.503 -2.737 -5.062 1.00 0.28 H new ATOM 0 HA PHE B 80 -8.112 -0.051 -4.293 1.00 0.25 H new ATOM 0 HB2 PHE B 80 -8.869 -2.558 -3.509 1.00 0.31 H new ATOM 0 HB3 PHE B 80 -7.731 -2.144 -2.241 1.00 0.31 H new ATOM 0 HD1 PHE B 80 -10.415 -0.374 -4.162 1.00 1.60 H new ATOM 0 HD2 PHE B 80 -8.689 -1.200 -0.367 1.00 1.26 H new ATOM 0 HE1 PHE B 80 -12.130 1.010 -3.085 1.00 1.98 H new ATOM 0 HE2 PHE B 80 -10.402 0.181 0.716 1.00 1.56 H new ATOM 0 HZ PHE B 80 -12.131 1.288 -0.641 1.00 1.64 H new ATOM 2905 N LEU B 81 -5.165 -1.256 -3.697 1.00 0.25 N ATOM 2906 CA LEU B 81 -3.818 -0.841 -3.340 1.00 0.26 C ATOM 2907 C LEU B 81 -3.328 0.234 -4.285 1.00 0.26 C ATOM 2908 O LEU B 81 -2.504 1.058 -3.916 1.00 0.27 O ATOM 2909 CB LEU B 81 -2.839 -2.002 -3.371 1.00 0.29 C ATOM 2910 CG LEU B 81 -3.025 -3.045 -2.279 1.00 0.28 C ATOM 2911 CD1 LEU B 81 -1.993 -4.132 -2.438 1.00 0.33 C ATOM 2912 CD2 LEU B 81 -2.934 -2.403 -0.893 1.00 0.29 C ATOM 0 H LEU B 81 -5.219 -2.151 -4.183 1.00 0.25 H new ATOM 0 HA LEU B 81 -3.866 -0.453 -2.322 1.00 0.26 H new ATOM 0 HB2 LEU B 81 -2.919 -2.497 -4.339 1.00 0.29 H new ATOM 0 HB3 LEU B 81 -1.827 -1.603 -3.300 1.00 0.29 H new ATOM 0 HG LEU B 81 -4.018 -3.485 -2.374 1.00 0.28 H new ATOM 0 HD11 LEU B 81 -2.127 -4.878 -1.655 1.00 0.33 H new ATOM 0 HD12 LEU B 81 -2.109 -4.604 -3.414 1.00 0.33 H new ATOM 0 HD13 LEU B 81 -0.995 -3.700 -2.360 1.00 0.33 H new ATOM 0 HD21 LEU B 81 -3.070 -3.168 -0.128 1.00 0.29 H new ATOM 0 HD22 LEU B 81 -1.956 -1.938 -0.771 1.00 0.29 H new ATOM 0 HD23 LEU B 81 -3.711 -1.646 -0.791 1.00 0.29 H new ATOM 2924 N ASN B 82 -3.821 0.211 -5.515 1.00 0.26 N ATOM 2925 CA ASN B 82 -3.552 1.290 -6.448 1.00 0.26 C ATOM 2926 C ASN B 82 -4.173 2.570 -5.913 1.00 0.23 C ATOM 2927 O ASN B 82 -3.652 3.670 -6.107 1.00 0.24 O ATOM 2928 CB ASN B 82 -4.090 0.959 -7.845 1.00 0.30 C ATOM 2929 CG ASN B 82 -3.145 0.062 -8.623 1.00 0.78 C ATOM 2930 OD1 ASN B 82 -1.933 0.080 -8.403 1.00 1.50 O ATOM 2931 ND2 ASN B 82 -3.679 -0.726 -9.538 1.00 1.42 N ATOM 0 H ASN B 82 -4.405 -0.538 -5.886 1.00 0.26 H new ATOM 0 HA ASN B 82 -2.474 1.424 -6.543 1.00 0.26 H new ATOM 0 HB2 ASN B 82 -5.060 0.470 -7.753 1.00 0.30 H new ATOM 0 HB3 ASN B 82 -4.250 1.884 -8.400 1.00 0.30 H new ATOM 0 HD21 ASN B 82 -3.084 -1.345 -10.088 1.00 1.42 H new ATOM 0 HD22 ASN B 82 -4.687 -0.716 -9.695 1.00 1.42 H new ATOM 2938 N LEU B 83 -5.289 2.401 -5.220 1.00 0.23 N ATOM 2939 CA LEU B 83 -5.902 3.476 -4.465 1.00 0.24 C ATOM 2940 C LEU B 83 -4.948 3.976 -3.393 1.00 0.23 C ATOM 2941 O LEU B 83 -4.661 5.173 -3.311 1.00 0.25 O ATOM 2942 CB LEU B 83 -7.182 2.983 -3.809 1.00 0.27 C ATOM 2943 CG LEU B 83 -7.696 3.864 -2.678 1.00 0.31 C ATOM 2944 CD1 LEU B 83 -8.191 5.192 -3.220 1.00 0.35 C ATOM 2945 CD2 LEU B 83 -8.778 3.149 -1.891 1.00 0.36 C ATOM 0 H LEU B 83 -5.792 1.515 -5.167 1.00 0.23 H new ATOM 0 HA LEU B 83 -6.134 4.293 -5.148 1.00 0.24 H new ATOM 0 HB2 LEU B 83 -7.958 2.903 -4.571 1.00 0.27 H new ATOM 0 HB3 LEU B 83 -7.012 1.979 -3.421 1.00 0.27 H new ATOM 0 HG LEU B 83 -6.871 4.069 -1.995 1.00 0.31 H new ATOM 0 HD11 LEU B 83 -8.554 5.808 -2.397 1.00 0.35 H new ATOM 0 HD12 LEU B 83 -7.373 5.706 -3.725 1.00 0.35 H new ATOM 0 HD13 LEU B 83 -9.001 5.017 -3.928 1.00 0.35 H new ATOM 0 HD21 LEU B 83 -9.131 3.796 -1.088 1.00 0.36 H new ATOM 0 HD22 LEU B 83 -9.609 2.906 -2.553 1.00 0.36 H new ATOM 0 HD23 LEU B 83 -8.372 2.231 -1.466 1.00 0.36 H new ATOM 2957 N ILE B 84 -4.475 3.044 -2.571 1.00 0.24 N ATOM 2958 CA ILE B 84 -3.495 3.341 -1.535 1.00 0.26 C ATOM 2959 C ILE B 84 -2.273 4.024 -2.145 1.00 0.27 C ATOM 2960 O ILE B 84 -1.658 4.880 -1.520 1.00 0.29 O ATOM 2961 CB ILE B 84 -3.101 2.049 -0.759 1.00 0.29 C ATOM 2962 CG1 ILE B 84 -3.979 1.884 0.487 1.00 0.55 C ATOM 2963 CG2 ILE B 84 -1.626 2.045 -0.365 1.00 0.47 C ATOM 2964 CD1 ILE B 84 -5.466 1.864 0.204 1.00 0.62 C ATOM 0 H ILE B 84 -4.760 2.065 -2.605 1.00 0.24 H new ATOM 0 HA ILE B 84 -3.941 4.028 -0.816 1.00 0.26 H new ATOM 0 HB ILE B 84 -3.266 1.206 -1.430 1.00 0.29 H new ATOM 0 HG12 ILE B 84 -3.704 0.957 0.990 1.00 0.55 H new ATOM 0 HG13 ILE B 84 -3.764 2.698 1.179 1.00 0.55 H new ATOM 0 HG21 ILE B 84 -1.396 1.126 0.174 1.00 0.47 H new ATOM 0 HG22 ILE B 84 -1.010 2.104 -1.262 1.00 0.47 H new ATOM 0 HG23 ILE B 84 -1.418 2.902 0.275 1.00 0.47 H new ATOM 0 HD11 ILE B 84 -6.013 1.744 1.139 1.00 0.62 H new ATOM 0 HD12 ILE B 84 -5.759 2.801 -0.270 1.00 0.62 H new ATOM 0 HD13 ILE B 84 -5.699 1.033 -0.461 1.00 0.62 H new ATOM 2976 N GLY B 85 -1.959 3.658 -3.382 1.00 0.26 N ATOM 2977 CA GLY B 85 -0.907 4.314 -4.124 1.00 0.29 C ATOM 2978 C GLY B 85 -1.146 5.802 -4.268 1.00 0.28 C ATOM 2979 O GLY B 85 -0.262 6.601 -3.988 1.00 0.32 O ATOM 0 H GLY B 85 -2.425 2.905 -3.888 1.00 0.26 H new ATOM 0 HA2 GLY B 85 0.046 4.148 -3.622 1.00 0.29 H new ATOM 0 HA3 GLY B 85 -0.828 3.864 -5.113 1.00 0.29 H new ATOM 2983 N GLY B 86 -2.356 6.179 -4.662 1.00 0.27 N ATOM 2984 CA GLY B 86 -2.652 7.583 -4.877 1.00 0.30 C ATOM 2985 C GLY B 86 -2.791 8.322 -3.567 1.00 0.29 C ATOM 2986 O GLY B 86 -2.385 9.474 -3.437 1.00 0.34 O ATOM 0 H GLY B 86 -3.134 5.542 -4.836 1.00 0.27 H new ATOM 0 HA2 GLY B 86 -1.859 8.037 -5.471 1.00 0.30 H new ATOM 0 HA3 GLY B 86 -3.574 7.679 -5.450 1.00 0.30 H new ATOM 2990 N LEU B 87 -3.350 7.627 -2.589 1.00 0.25 N ATOM 2991 CA LEU B 87 -3.531 8.166 -1.250 1.00 0.25 C ATOM 2992 C LEU B 87 -2.190 8.451 -0.600 1.00 0.26 C ATOM 2993 O LEU B 87 -1.866 9.597 -0.277 1.00 0.29 O ATOM 2994 CB LEU B 87 -4.276 7.144 -0.406 1.00 0.25 C ATOM 2995 CG LEU B 87 -5.754 6.972 -0.717 1.00 0.26 C ATOM 2996 CD1 LEU B 87 -6.255 5.682 -0.099 1.00 0.26 C ATOM 2997 CD2 LEU B 87 -6.552 8.153 -0.188 1.00 0.35 C ATOM 0 H LEU B 87 -3.691 6.672 -2.701 1.00 0.25 H new ATOM 0 HA LEU B 87 -4.095 9.096 -1.319 1.00 0.25 H new ATOM 0 HB2 LEU B 87 -3.785 6.178 -0.524 1.00 0.25 H new ATOM 0 HB3 LEU B 87 -4.176 7.426 0.642 1.00 0.25 H new ATOM 0 HG LEU B 87 -5.886 6.928 -1.798 1.00 0.26 H new ATOM 0 HD11 LEU B 87 -7.315 5.559 -0.322 1.00 0.26 H new ATOM 0 HD12 LEU B 87 -5.698 4.841 -0.511 1.00 0.26 H new ATOM 0 HD13 LEU B 87 -6.113 5.717 0.981 1.00 0.26 H new ATOM 0 HD21 LEU B 87 -7.608 8.012 -0.420 1.00 0.35 H new ATOM 0 HD22 LEU B 87 -6.424 8.224 0.892 1.00 0.35 H new ATOM 0 HD23 LEU B 87 -6.197 9.071 -0.656 1.00 0.35 H new ATOM 3009 N ALA B 88 -1.409 7.388 -0.445 1.00 0.25 N ATOM 3010 CA ALA B 88 -0.109 7.450 0.199 1.00 0.27 C ATOM 3011 C ALA B 88 0.739 8.522 -0.407 1.00 0.29 C ATOM 3012 O ALA B 88 1.424 9.266 0.281 1.00 0.35 O ATOM 3013 CB ALA B 88 0.621 6.137 0.028 1.00 0.26 C ATOM 0 H ALA B 88 -1.665 6.454 -0.766 1.00 0.25 H new ATOM 0 HA ALA B 88 -0.279 7.663 1.254 1.00 0.27 H new ATOM 0 HB1 ALA B 88 1.594 6.196 0.515 1.00 0.26 H new ATOM 0 HB2 ALA B 88 0.037 5.335 0.479 1.00 0.26 H new ATOM 0 HB3 ALA B 88 0.758 5.933 -1.034 1.00 0.26 H new ATOM 3019 N MET B 89 0.687 8.578 -1.710 1.00 0.29 N ATOM 3020 CA MET B 89 1.554 9.431 -2.461 1.00 0.32 C ATOM 3021 C MET B 89 1.100 10.862 -2.437 1.00 0.34 C ATOM 3022 O MET B 89 1.910 11.763 -2.544 1.00 0.39 O ATOM 3023 CB MET B 89 1.659 8.902 -3.850 1.00 0.34 C ATOM 3024 CG MET B 89 2.509 7.665 -3.878 1.00 0.42 C ATOM 3025 SD MET B 89 4.105 7.903 -3.073 1.00 1.03 S ATOM 3026 CE MET B 89 3.802 7.263 -1.428 1.00 1.89 C ATOM 0 H MET B 89 0.040 8.031 -2.278 1.00 0.29 H new ATOM 0 HA MET B 89 2.542 9.429 -2.000 1.00 0.32 H new ATOM 0 HB2 MET B 89 0.665 8.676 -4.236 1.00 0.34 H new ATOM 0 HB3 MET B 89 2.089 9.661 -4.503 1.00 0.34 H new ATOM 0 HG2 MET B 89 1.976 6.851 -3.387 1.00 0.42 H new ATOM 0 HG3 MET B 89 2.670 7.362 -4.913 1.00 0.42 H new ATOM 0 HE1 MET B 89 4.232 7.940 -0.689 1.00 1.89 H new ATOM 0 HE2 MET B 89 2.728 7.180 -1.262 1.00 1.89 H new ATOM 0 HE3 MET B 89 4.261 6.279 -1.330 1.00 1.89 H new ATOM 3036 N ALA B 90 -0.189 11.064 -2.282 1.00 0.34 N ATOM 3037 CA ALA B 90 -0.715 12.404 -2.079 1.00 0.39 C ATOM 3038 C ALA B 90 -0.193 12.963 -0.757 1.00 0.42 C ATOM 3039 O ALA B 90 0.184 14.133 -0.664 1.00 0.49 O ATOM 3040 CB ALA B 90 -2.234 12.391 -2.099 1.00 0.46 C ATOM 0 H ALA B 90 -0.893 10.326 -2.292 1.00 0.34 H new ATOM 0 HA ALA B 90 -0.377 13.047 -2.892 1.00 0.39 H new ATOM 0 HB1 ALA B 90 -2.609 13.403 -1.945 1.00 0.46 H new ATOM 0 HB2 ALA B 90 -2.582 12.018 -3.062 1.00 0.46 H new ATOM 0 HB3 ALA B 90 -2.603 11.743 -1.304 1.00 0.46 H new ATOM 3046 N CYS B 91 -0.138 12.098 0.250 1.00 0.41 N ATOM 3047 CA CYS B 91 0.342 12.478 1.573 1.00 0.47 C ATOM 3048 C CYS B 91 1.867 12.585 1.584 1.00 0.44 C ATOM 3049 O CYS B 91 2.420 13.506 2.166 1.00 0.51 O ATOM 3050 CB CYS B 91 -0.133 11.464 2.621 1.00 0.55 C ATOM 3051 SG CYS B 91 0.261 11.914 4.329 1.00 1.76 S ATOM 0 H CYS B 91 -0.422 11.121 0.173 1.00 0.41 H new ATOM 0 HA CYS B 91 -0.070 13.456 1.822 1.00 0.47 H new ATOM 0 HB2 CYS B 91 -1.213 11.344 2.530 1.00 0.55 H new ATOM 0 HB3 CYS B 91 0.315 10.495 2.401 1.00 0.55 H new ATOM 0 HG CYS B 91 -0.184 10.995 5.134 1.00 1.76 H new ATOM 3057 N HIS B 92 2.541 11.637 0.937 1.00 0.41 N ATOM 3058 CA HIS B 92 3.998 11.683 0.793 1.00 0.46 C ATOM 3059 C HIS B 92 4.413 12.930 0.029 1.00 0.45 C ATOM 3060 O HIS B 92 5.367 13.607 0.392 1.00 0.49 O ATOM 3061 CB HIS B 92 4.518 10.415 0.078 1.00 0.54 C ATOM 3062 CG HIS B 92 5.505 10.673 -1.037 1.00 1.21 C ATOM 3063 ND1 HIS B 92 6.854 10.873 -0.829 1.00 2.12 N ATOM 3064 CD2 HIS B 92 5.315 10.794 -2.374 1.00 1.96 C ATOM 3065 CE1 HIS B 92 7.445 11.109 -1.989 1.00 2.74 C ATOM 3066 NE2 HIS B 92 6.532 11.066 -2.935 1.00 2.62 N ATOM 0 H HIS B 92 2.102 10.825 0.503 1.00 0.41 H new ATOM 0 HA HIS B 92 4.440 11.719 1.789 1.00 0.46 H new ATOM 0 HB2 HIS B 92 4.988 9.766 0.817 1.00 0.54 H new ATOM 0 HB3 HIS B 92 3.666 9.870 -0.329 1.00 0.54 H new ATOM 0 HD2 HIS B 92 4.376 10.694 -2.899 1.00 1.96 H new ATOM 0 HE1 HIS B 92 8.497 11.304 -2.134 1.00 2.74 H new ATOM 0 HE2 HIS B 92 6.705 11.212 -3.930 1.00 2.62 H new ATOM 3075 N ASP B 93 3.692 13.206 -1.040 1.00 0.45 N ATOM 3076 CA ASP B 93 3.982 14.344 -1.891 1.00 0.52 C ATOM 3077 C ASP B 93 3.778 15.632 -1.104 1.00 0.56 C ATOM 3078 O ASP B 93 4.508 16.602 -1.277 1.00 0.65 O ATOM 3079 CB ASP B 93 3.087 14.285 -3.129 1.00 0.54 C ATOM 3080 CG ASP B 93 3.289 15.455 -4.063 1.00 0.92 C ATOM 3081 OD1 ASP B 93 4.318 15.489 -4.769 1.00 1.48 O ATOM 3082 OD2 ASP B 93 2.407 16.335 -4.107 1.00 1.74 O ATOM 0 H ASP B 93 2.892 12.650 -1.343 1.00 0.45 H new ATOM 0 HA ASP B 93 5.020 14.319 -2.223 1.00 0.52 H new ATOM 0 HB2 ASP B 93 3.284 13.359 -3.669 1.00 0.54 H new ATOM 0 HB3 ASP B 93 2.044 14.255 -2.815 1.00 0.54 H new ATOM 3087 N SER B 94 2.809 15.605 -0.200 1.00 0.54 N ATOM 3088 CA SER B 94 2.583 16.705 0.722 1.00 0.60 C ATOM 3089 C SER B 94 3.742 16.785 1.702 1.00 0.63 C ATOM 3090 O SER B 94 4.285 17.849 1.956 1.00 0.70 O ATOM 3091 CB SER B 94 1.290 16.478 1.497 1.00 0.65 C ATOM 3092 OG SER B 94 0.848 17.667 2.129 1.00 1.26 O ATOM 0 H SER B 94 2.162 14.825 -0.086 1.00 0.54 H new ATOM 0 HA SER B 94 2.507 17.634 0.157 1.00 0.60 H new ATOM 0 HB2 SER B 94 0.517 16.116 0.819 1.00 0.65 H new ATOM 0 HB3 SER B 94 1.445 15.702 2.247 1.00 0.65 H new ATOM 0 HG SER B 94 0.016 17.489 2.616 1.00 1.26 H new ATOM 3098 N PHE B 95 4.113 15.626 2.226 1.00 0.60 N ATOM 3099 CA PHE B 95 5.189 15.484 3.193 1.00 0.67 C ATOM 3100 C PHE B 95 6.475 16.084 2.641 1.00 0.73 C ATOM 3101 O PHE B 95 7.214 16.754 3.351 1.00 0.84 O ATOM 3102 CB PHE B 95 5.372 13.990 3.503 1.00 0.64 C ATOM 3103 CG PHE B 95 6.308 13.681 4.633 1.00 0.78 C ATOM 3104 CD1 PHE B 95 6.065 14.162 5.909 1.00 1.29 C ATOM 3105 CD2 PHE B 95 7.419 12.880 4.422 1.00 1.80 C ATOM 3106 CE1 PHE B 95 6.915 13.851 6.953 1.00 1.76 C ATOM 3107 CE2 PHE B 95 8.272 12.571 5.459 1.00 2.35 C ATOM 3108 CZ PHE B 95 8.021 13.055 6.725 1.00 2.07 C ATOM 0 H PHE B 95 3.665 14.742 1.986 1.00 0.60 H new ATOM 0 HA PHE B 95 4.941 16.018 4.110 1.00 0.67 H new ATOM 0 HB2 PHE B 95 4.397 13.561 3.733 1.00 0.64 H new ATOM 0 HB3 PHE B 95 5.736 13.491 2.605 1.00 0.64 H new ATOM 0 HD1 PHE B 95 5.203 14.786 6.090 1.00 1.29 H new ATOM 0 HD2 PHE B 95 7.619 12.494 3.433 1.00 1.80 H new ATOM 0 HE1 PHE B 95 6.715 14.229 7.945 1.00 1.76 H new ATOM 0 HE2 PHE B 95 9.137 11.950 5.280 1.00 2.35 H new ATOM 0 HZ PHE B 95 8.689 12.812 7.538 1.00 2.07 H new ATOM 3118 N LEU B 96 6.702 15.866 1.356 1.00 0.69 N ATOM 3119 CA LEU B 96 7.887 16.367 0.675 1.00 0.81 C ATOM 3120 C LEU B 96 7.814 17.873 0.478 1.00 0.91 C ATOM 3121 O LEU B 96 8.813 18.579 0.612 1.00 1.09 O ATOM 3122 CB LEU B 96 8.043 15.670 -0.677 1.00 0.83 C ATOM 3123 CG LEU B 96 8.938 14.428 -0.682 1.00 0.87 C ATOM 3124 CD1 LEU B 96 10.393 14.817 -0.483 1.00 1.22 C ATOM 3125 CD2 LEU B 96 8.501 13.441 0.388 1.00 1.08 C ATOM 0 H LEU B 96 6.071 15.337 0.755 1.00 0.69 H new ATOM 0 HA LEU B 96 8.755 16.150 1.298 1.00 0.81 H new ATOM 0 HB2 LEU B 96 7.054 15.384 -1.034 1.00 0.83 H new ATOM 0 HB3 LEU B 96 8.445 16.388 -1.392 1.00 0.83 H new ATOM 0 HG LEU B 96 8.839 13.944 -1.653 1.00 0.87 H new ATOM 0 HD11 LEU B 96 11.013 13.921 -0.489 1.00 1.22 H new ATOM 0 HD12 LEU B 96 10.706 15.481 -1.289 1.00 1.22 H new ATOM 0 HD13 LEU B 96 10.505 15.329 0.473 1.00 1.22 H new ATOM 0 HD21 LEU B 96 9.152 12.567 0.365 1.00 1.08 H new ATOM 0 HD22 LEU B 96 8.565 13.915 1.368 1.00 1.08 H new ATOM 0 HD23 LEU B 96 7.473 13.132 0.200 1.00 1.08 H new ATOM 3137 N LYS B 97 6.624 18.354 0.168 1.00 0.83 N ATOM 3138 CA LYS B 97 6.404 19.769 -0.071 1.00 0.94 C ATOM 3139 C LYS B 97 6.310 20.538 1.241 1.00 0.98 C ATOM 3140 O LYS B 97 6.561 21.742 1.291 1.00 1.14 O ATOM 3141 CB LYS B 97 5.134 19.947 -0.887 1.00 0.94 C ATOM 3142 CG LYS B 97 5.275 19.389 -2.286 1.00 0.99 C ATOM 3143 CD LYS B 97 3.964 19.380 -3.032 1.00 1.25 C ATOM 3144 CE LYS B 97 4.192 18.965 -4.467 1.00 2.06 C ATOM 3145 NZ LYS B 97 2.922 18.675 -5.177 1.00 2.65 N ATOM 0 H LYS B 97 5.787 17.779 0.075 1.00 0.83 H new ATOM 0 HA LYS B 97 7.252 20.170 -0.627 1.00 0.94 H new ATOM 0 HB2 LYS B 97 4.306 19.451 -0.381 1.00 0.94 H new ATOM 0 HB3 LYS B 97 4.885 21.007 -0.943 1.00 0.94 H new ATOM 0 HG2 LYS B 97 6.002 19.983 -2.840 1.00 0.99 H new ATOM 0 HG3 LYS B 97 5.667 18.373 -2.232 1.00 0.99 H new ATOM 0 HD2 LYS B 97 3.267 18.693 -2.552 1.00 1.25 H new ATOM 0 HD3 LYS B 97 3.510 20.370 -2.998 1.00 1.25 H new ATOM 0 HE2 LYS B 97 4.726 19.757 -4.992 1.00 2.06 H new ATOM 0 HE3 LYS B 97 4.829 18.081 -4.491 1.00 2.06 H new ATOM 0 HZ1 LYS B 97 3.047 18.844 -6.196 1.00 2.65 H new ATOM 0 HZ2 LYS B 97 2.656 17.682 -5.021 1.00 2.65 H new ATOM 0 HZ3 LYS B 97 2.171 19.296 -4.813 1.00 2.65 H new ATOM 3159 N ALA B 98 5.954 19.829 2.298 1.00 0.99 N ATOM 3160 CA ALA B 98 5.786 20.428 3.611 1.00 1.07 C ATOM 3161 C ALA B 98 7.075 20.363 4.423 1.00 1.10 C ATOM 3162 O ALA B 98 7.692 21.390 4.705 1.00 1.24 O ATOM 3163 CB ALA B 98 4.654 19.736 4.357 1.00 1.01 C ATOM 0 H ALA B 98 5.774 18.825 2.271 1.00 0.99 H new ATOM 0 HA ALA B 98 5.535 21.480 3.473 1.00 1.07 H new ATOM 0 HB1 ALA B 98 4.535 20.191 5.340 1.00 1.01 H new ATOM 0 HB2 ALA B 98 3.728 19.843 3.793 1.00 1.01 H new ATOM 0 HB3 ALA B 98 4.888 18.678 4.473 1.00 1.01 H new ATOM 3169 N VAL B 99 7.482 19.149 4.774 1.00 1.01 N ATOM 3170 CA VAL B 99 8.663 18.929 5.599 1.00 1.07 C ATOM 3171 C VAL B 99 8.927 17.426 5.746 1.00 1.01 C ATOM 3172 O VAL B 99 8.446 16.761 6.664 1.00 1.02 O ATOM 3173 CB VAL B 99 8.539 19.612 6.990 1.00 1.17 C ATOM 3174 CG1 VAL B 99 7.273 19.182 7.722 1.00 1.14 C ATOM 3175 CG2 VAL B 99 9.776 19.337 7.834 1.00 1.25 C ATOM 0 H VAL B 99 7.004 18.292 4.496 1.00 1.01 H new ATOM 0 HA VAL B 99 9.513 19.391 5.096 1.00 1.07 H new ATOM 0 HB VAL B 99 8.466 20.687 6.823 1.00 1.17 H new ATOM 0 HG11 VAL B 99 7.225 19.682 8.689 1.00 1.14 H new ATOM 0 HG12 VAL B 99 6.400 19.454 7.129 1.00 1.14 H new ATOM 0 HG13 VAL B 99 7.288 18.102 7.872 1.00 1.14 H new ATOM 0 HG21 VAL B 99 9.670 19.823 8.804 1.00 1.25 H new ATOM 0 HG22 VAL B 99 9.887 18.262 7.977 1.00 1.25 H new ATOM 0 HG23 VAL B 99 10.657 19.728 7.326 1.00 1.25 H new ATOM 3185 N PRO B 100 9.711 16.867 4.821 1.00 1.01 N ATOM 3186 CA PRO B 100 9.931 15.435 4.736 1.00 1.02 C ATOM 3187 C PRO B 100 11.091 14.964 5.601 1.00 1.28 C ATOM 3188 O PRO B 100 11.813 14.033 5.245 1.00 1.60 O ATOM 3189 CB PRO B 100 10.224 15.232 3.255 1.00 1.04 C ATOM 3190 CG PRO B 100 10.835 16.519 2.788 1.00 1.04 C ATOM 3191 CD PRO B 100 10.450 17.592 3.780 1.00 1.07 C ATOM 0 HA PRO B 100 9.081 14.859 5.102 1.00 1.02 H new ATOM 0 HB2 PRO B 100 10.905 14.395 3.101 1.00 1.04 H new ATOM 0 HB3 PRO B 100 9.312 15.007 2.702 1.00 1.04 H new ATOM 0 HG2 PRO B 100 11.919 16.427 2.724 1.00 1.04 H new ATOM 0 HG3 PRO B 100 10.477 16.773 1.790 1.00 1.04 H new ATOM 0 HD2 PRO B 100 11.329 18.091 4.189 1.00 1.07 H new ATOM 0 HD3 PRO B 100 9.833 18.362 3.316 1.00 1.07 H new ATOM 3199 N SER B 101 11.256 15.612 6.740 1.00 1.57 N ATOM 3200 CA SER B 101 12.279 15.233 7.694 1.00 1.88 C ATOM 3201 C SER B 101 11.636 14.444 8.837 1.00 1.62 C ATOM 3202 O SER B 101 12.320 13.942 9.730 1.00 1.94 O ATOM 3203 CB SER B 101 12.985 16.490 8.214 1.00 2.76 C ATOM 3204 OG SER B 101 14.199 16.179 8.877 1.00 3.39 O ATOM 0 H SER B 101 10.689 16.410 7.027 1.00 1.57 H new ATOM 0 HA SER B 101 13.025 14.599 7.215 1.00 1.88 H new ATOM 0 HB2 SER B 101 13.188 17.163 7.381 1.00 2.76 H new ATOM 0 HB3 SER B 101 12.323 17.021 8.898 1.00 2.76 H new ATOM 0 HG SER B 101 14.387 16.863 9.553 1.00 3.39 H new ATOM 3210 N GLN B 102 10.303 14.339 8.768 1.00 1.61 N ATOM 3211 CA GLN B 102 9.495 13.589 9.736 1.00 2.12 C ATOM 3212 C GLN B 102 9.467 14.279 11.097 1.00 2.74 C ATOM 3213 O GLN B 102 8.483 14.930 11.453 1.00 3.39 O ATOM 3214 CB GLN B 102 9.990 12.143 9.876 1.00 2.47 C ATOM 3215 CG GLN B 102 9.103 11.284 10.762 1.00 3.01 C ATOM 3216 CD GLN B 102 9.669 9.897 11.012 1.00 3.87 C ATOM 3217 OE1 GLN B 102 9.430 9.306 12.062 1.00 4.45 O ATOM 3218 NE2 GLN B 102 10.420 9.368 10.056 1.00 4.44 N ATOM 0 H GLN B 102 9.750 14.777 8.031 1.00 1.61 H new ATOM 0 HA GLN B 102 8.476 13.564 9.351 1.00 2.12 H new ATOM 0 HB2 GLN B 102 10.050 11.690 8.886 1.00 2.47 H new ATOM 0 HB3 GLN B 102 11.000 12.151 10.285 1.00 2.47 H new ATOM 0 HG2 GLN B 102 8.959 11.788 11.718 1.00 3.01 H new ATOM 0 HG3 GLN B 102 8.121 11.190 10.299 1.00 3.01 H new ATOM 0 HE21 GLN B 102 10.596 9.890 9.198 1.00 4.44 H new ATOM 0 HE22 GLN B 102 10.822 8.439 10.179 1.00 4.44 H new ATOM 3227 N LYS B 103 10.545 14.144 11.849 1.00 3.15 N ATOM 3228 CA LYS B 103 10.637 14.749 13.165 1.00 4.07 C ATOM 3229 C LYS B 103 11.255 16.132 13.051 1.00 4.57 C ATOM 3230 O LYS B 103 12.480 16.269 13.072 1.00 5.24 O ATOM 3231 CB LYS B 103 11.473 13.870 14.099 1.00 4.74 C ATOM 3232 CG LYS B 103 10.920 12.462 14.279 1.00 5.31 C ATOM 3233 CD LYS B 103 9.540 12.478 14.918 1.00 6.26 C ATOM 3234 CE LYS B 103 9.006 11.069 15.128 1.00 6.83 C ATOM 3235 NZ LYS B 103 9.862 10.279 16.054 1.00 7.43 N ATOM 0 H LYS B 103 11.373 13.618 11.568 1.00 3.15 H new ATOM 0 HA LYS B 103 9.635 14.840 13.584 1.00 4.07 H new ATOM 0 HB2 LYS B 103 12.488 13.804 13.708 1.00 4.74 H new ATOM 0 HB3 LYS B 103 11.538 14.352 15.074 1.00 4.74 H new ATOM 0 HG2 LYS B 103 10.867 11.965 13.310 1.00 5.31 H new ATOM 0 HG3 LYS B 103 11.602 11.880 14.899 1.00 5.31 H new ATOM 0 HD2 LYS B 103 9.587 12.997 15.876 1.00 6.26 H new ATOM 0 HD3 LYS B 103 8.852 13.039 14.286 1.00 6.26 H new ATOM 0 HE2 LYS B 103 7.993 11.121 15.527 1.00 6.83 H new ATOM 0 HE3 LYS B 103 8.944 10.558 14.167 1.00 6.83 H new ATOM 0 HZ1 LYS B 103 9.357 9.417 16.342 1.00 7.43 H new ATOM 0 HZ2 LYS B 103 10.746 10.018 15.572 1.00 7.43 H new ATOM 0 HZ3 LYS B 103 10.082 10.849 16.895 1.00 7.43 H new ATOM 3249 N ARG B 104 10.403 17.147 12.910 1.00 4.69 N ATOM 3250 CA ARG B 104 10.852 18.525 12.714 1.00 5.54 C ATOM 3251 C ARG B 104 11.595 18.648 11.386 1.00 5.67 C ATOM 3252 O ARG B 104 11.476 17.782 10.520 1.00 5.97 O ATOM 3253 CB ARG B 104 11.746 18.975 13.876 1.00 6.11 C ATOM 3254 CG ARG B 104 11.039 18.975 15.219 1.00 6.81 C ATOM 3255 CD ARG B 104 12.007 19.248 16.358 1.00 7.63 C ATOM 3256 NE ARG B 104 13.018 18.198 16.482 1.00 8.12 N ATOM 3257 CZ ARG B 104 13.713 17.961 17.594 1.00 8.95 C ATOM 3258 NH1 ARG B 104 13.523 18.709 18.674 1.00 9.34 N ATOM 3259 NH2 ARG B 104 14.597 16.974 17.626 1.00 9.59 N ATOM 0 H ARG B 104 9.389 17.039 12.928 1.00 4.69 H new ATOM 0 HA ARG B 104 9.978 19.176 12.689 1.00 5.54 H new ATOM 0 HB2 ARG B 104 12.614 18.318 13.931 1.00 6.11 H new ATOM 0 HB3 ARG B 104 12.118 19.979 13.670 1.00 6.11 H new ATOM 0 HG2 ARG B 104 10.254 19.731 15.218 1.00 6.81 H new ATOM 0 HG3 ARG B 104 10.553 18.012 15.376 1.00 6.81 H new ATOM 0 HD2 ARG B 104 12.499 20.207 16.194 1.00 7.63 H new ATOM 0 HD3 ARG B 104 11.453 19.330 17.293 1.00 7.63 H new ATOM 0 HE ARG B 104 13.202 17.612 15.668 1.00 8.12 H new ATOM 0 HH11 ARG B 104 12.843 19.469 18.655 1.00 9.34 H new ATOM 0 HH12 ARG B 104 14.057 18.524 19.523 1.00 9.34 H new ATOM 0 HH21 ARG B 104 14.746 16.395 16.799 1.00 9.59 H new ATOM 0 HH22 ARG B 104 15.129 16.793 18.477 1.00 9.59 H new ATOM 3273 N THR B 105 12.343 19.724 11.217 1.00 5.80 N ATOM 3274 CA THR B 105 13.119 19.923 10.007 1.00 6.20 C ATOM 3275 C THR B 105 14.589 19.593 10.261 1.00 6.46 C ATOM 3276 O THR B 105 15.296 20.434 10.850 1.00 6.81 O ATOM 3277 CB THR B 105 12.986 21.371 9.498 1.00 6.59 C ATOM 3278 OG1 THR B 105 11.602 21.752 9.481 1.00 6.66 O ATOM 3279 CG2 THR B 105 13.568 21.512 8.099 1.00 7.01 C ATOM 3280 OXT THR B 105 15.028 18.482 9.888 1.00 6.62 O ATOM 0 H THR B 105 12.429 20.474 11.903 1.00 5.80 H new ATOM 0 HA THR B 105 12.729 19.252 9.241 1.00 6.20 H new ATOM 0 HB THR B 105 13.541 22.023 10.172 1.00 6.59 H new ATOM 0 HG1 THR B 105 11.520 22.674 9.159 1.00 6.66 H new ATOM 0 HG21 THR B 105 13.462 22.543 7.763 1.00 7.01 H new ATOM 0 HG22 THR B 105 14.624 21.243 8.115 1.00 7.01 H new ATOM 0 HG23 THR B 105 13.036 20.851 7.415 1.00 7.01 H new TER 3288 THR B 105