USER MOD reduce.3.24.130724 H: found=0, std=0, add=1514, rem=0, adj=74 USER MOD reduce.3.24.130724 removed 1502 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 15 THR OG1 : rot 27:sc= 0.23 USER MOD Set 1.2: B 72 TYR OH : rot 162:sc= 0.833 USER MOD Set 2.1: B 58 SER OG : rot 81:sc= 1.12 USER MOD Set 2.2: B 61 LYS NZ :NH3+ -112:sc= 0.948 (180deg=0) USER MOD Set 3.1: B 25 SER OG : rot 176:sc= 1.64 USER MOD Set 3.2: B 28 THR OG1 : rot 174:sc= 2.19 USER MOD Set 4.1: A 80 CYS SG : rot 180:sc= 0.127 USER MOD Set 4.2: A 84 ASN : amide:sc= 0.65 K(o=0.78,f=-3.8!) USER MOD Set 5.1: A 77 THR OG1 : rot 84:sc= 1.14 USER MOD Set 5.2: B 73 SER OG : rot 140:sc= -0.0174 USER MOD Set 6.1: A 73 SER OG : rot 179:sc= 1.11 USER MOD Set 6.2: B 77 THR OG1 : rot 79:sc= 2.11 USER MOD Set 7.1: A 62 ASN : amide:sc= 0.25 X(o=0.3,f=0.48) USER MOD Set 7.2: A 65 GLN : amide:sc= 0.0486 X(o=0.3,f=0.48) USER MOD Set 8.1: A 47 MET CE :methyl -140:sc= -0.564 (180deg=-2.67!) USER MOD Set 8.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 9.1: A 39 LYS NZ :NH3+ -164:sc= 1.33 (180deg=0.556) USER MOD Set 9.2: A 43 CYS SG : rot -4:sc= 0.864 USER MOD Set10.1: A 25 SER OG : rot -110:sc= 1.18 USER MOD Set10.2: A 28 THR OG1 : rot 40:sc= 2.24 USER MOD Set11.1: A 7 LYS NZ :NH3+ -157:sc= 1 (180deg=0) USER MOD Set11.2: A 11 THR OG1 : rot 83:sc= 2.17 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.04 (180deg=-0.278) USER MOD Single : A 1 MET N :NH3+ -114:sc= 1.12 (180deg=0.234!) USER MOD Single : A 3 THR OG1 : rot 131:sc= 1.39 USER MOD Single : A 10 THR OG1 : rot -53:sc= 1.04 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -79:sc= 1.26 USER MOD Single : A 15 THR OG1 : rot -91:sc= 1.21 USER MOD Single : A 17 HIS : no HE2:sc= -1.04 K(o=-1,f=-4.8!) USER MOD Single : A 18 LYS NZ :NH3+ -141:sc= 1.18 (180deg=-1.64!) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 SER OG : rot 132:sc= 0.31 USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 0.805 (180deg=0.58) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 163:sc= 3.51 (180deg=2.67) USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= 0.857 (180deg=0.668) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -120:sc= 1.89 (180deg=-1.01) USER MOD Single : A 50 SER OG : rot 64:sc= 1.34 USER MOD Single : A 51 SER OG : rot 167:sc= 1.35 USER MOD Single : A 56 MET CE :methyl 179:sc= 0 (180deg=-0.00165) USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 1.32 (180deg=1.22) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 80:sc= 0.254 USER MOD Single : A 70 LYS NZ :NH3+ -179:sc= 1.34 (180deg=1.33) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.571 USER MOD Single : A 78 MET CE :methyl -150:sc= 0 (180deg=-0.304) USER MOD Single : A 81 MET CE :methyl -175:sc= 0 (180deg=-0.0255) USER MOD Single : A 91 ASN : amide:sc= -0.435 X(o=-0.43,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 163:sc= 2.22 (180deg=1.56) USER MOD Single : B 1 MET CE :methyl 179:sc= 0 (180deg=-0.00114) USER MOD Single : B 1 MET N :NH3+ -147:sc= 2.46 (180deg=0.0974) USER MOD Single : B 3 THR OG1 : rot -68:sc= 1.27 USER MOD Single : B 7 LYS NZ :NH3+ -148:sc= 0.0861! (180deg=-1.03!) USER MOD Single : B 10 THR OG1 : rot 83:sc= 1.33 USER MOD Single : B 11 THR OG1 : rot 72:sc= 1.31 USER MOD Single : B 12 MET CE :methyl 161:sc= -0.056 (180deg=-0.747) USER MOD Single : B 14 THR OG1 : rot 82:sc= 1.23 USER MOD Single : B 17 HIS : no HE2:sc= -0.0869 K(o=-0.087,f=-0.62) USER MOD Single : B 18 LYS NZ :NH3+ 173:sc= 0.497 (180deg=0.331) USER MOD Single : B 19 TYR OH : rot 6:sc= 1.26 USER MOD Single : B 20 SER OG : rot -84:sc= 1.59 USER MOD Single : B 26 LYS NZ :NH3+ -170:sc= 1.93 (180deg=1.57) USER MOD Single : B 30 SER OG : rot 89:sc= 1.18 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0.631 (180deg=0.631) USER MOD Single : B 35 LYS NZ :NH3+ 171:sc= 1.71 (180deg=1.55) USER MOD Single : B 39 LYS NZ :NH3+ 169:sc= 1.31 (180deg=1.12) USER MOD Single : B 40 LYS NZ :NH3+ 155:sc=-0.00814 (180deg=-0.939) USER MOD Single : B 43 CYS SG : rot -129:sc= 0.724 USER MOD Single : B 47 MET CE :methyl 175:sc=-0.00174 (180deg=-0.0331) USER MOD Single : B 48 LYS NZ :NH3+ 167:sc= 0.256 (180deg=0.107) USER MOD Single : B 50 SER OG : rot 180:sc= 0.0208 USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 56 MET CE :methyl 178:sc= 0 (180deg=-0.00559) USER MOD Single : B 57 LYS NZ :NH3+ -147:sc= 1.28 (180deg=1.1) USER MOD Single : B 62 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.15) USER MOD Single : B 63 SER OG : rot -51:sc= 1.33 USER MOD Single : B 65 GLN : amide:sc= 0.731 K(o=0.73,f=-5.3!) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 80 CYS SG : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl 171:sc= -0.254 (180deg=-0.484) USER MOD Single : B 83 TYR OH : rot -2:sc= 1.26 USER MOD Single : B 84 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.1) USER MOD Single : B 91 ASN : amide:sc= 0.109 X(o=0.11,f=0) USER MOD Single : B 92 LYS NZ :NH3+ 151:sc= 0.376 (180deg=-1.39!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.047 1.044 17.571 1.00 5.35 N ATOM 2 CA MET A 1 8.661 1.496 17.811 1.00 5.24 C ATOM 3 C MET A 1 8.721 2.842 18.527 1.00 3.81 C ATOM 4 O MET A 1 9.133 3.798 17.886 1.00 4.65 O ATOM 5 CB MET A 1 7.779 0.464 18.541 1.00 6.22 C ATOM 6 CG MET A 1 7.573 -0.846 17.775 1.00 7.96 C ATOM 7 SD MET A 1 9.037 -1.895 17.528 1.00 8.92 S ATOM 8 CE MET A 1 9.525 -2.227 19.246 1.00 9.25 C ATOM 0 H1 MET A 1 10.235 1.028 16.548 1.00 5.35 H new ATOM 0 H2 MET A 1 10.710 1.697 18.035 1.00 5.35 H new ATOM 0 H3 MET A 1 10.173 0.088 17.961 1.00 5.35 H new ATOM 0 HA MET A 1 8.162 1.611 16.849 1.00 5.24 H new ATOM 0 HB2 MET A 1 8.229 0.239 19.508 1.00 6.22 H new ATOM 0 HB3 MET A 1 6.805 0.912 18.739 1.00 6.22 H new ATOM 0 HG2 MET A 1 6.821 -1.433 18.303 1.00 7.96 H new ATOM 0 HG3 MET A 1 7.160 -0.605 16.796 1.00 7.96 H new ATOM 0 HE1 MET A 1 10.188 -3.091 19.275 1.00 9.25 H new ATOM 0 HE2 MET A 1 10.043 -1.358 19.651 1.00 9.25 H new ATOM 0 HE3 MET A 1 8.637 -2.431 19.844 1.00 9.25 H new ATOM 17 N GLU A 2 8.359 2.929 19.818 1.00 2.56 N ATOM 18 CA GLU A 2 8.652 4.017 20.775 1.00 1.40 C ATOM 19 C GLU A 2 7.843 5.304 20.525 1.00 1.21 C ATOM 20 O GLU A 2 7.202 5.836 21.434 1.00 1.61 O ATOM 21 CB GLU A 2 10.167 4.334 20.828 1.00 2.53 C ATOM 22 CG GLU A 2 11.062 3.181 21.318 1.00 3.40 C ATOM 23 CD GLU A 2 11.160 2.026 20.314 1.00 4.17 C ATOM 24 OE1 GLU A 2 11.848 2.152 19.283 1.00 4.94 O ATOM 25 OE2 GLU A 2 10.367 1.067 20.427 1.00 4.54 O ATOM 0 H GLU A 2 7.813 2.187 20.256 1.00 2.56 H new ATOM 0 HA GLU A 2 8.333 3.636 21.745 1.00 1.40 H new ATOM 0 HB2 GLU A 2 10.495 4.629 19.831 1.00 2.53 H new ATOM 0 HB3 GLU A 2 10.319 5.193 21.481 1.00 2.53 H new ATOM 0 HG2 GLU A 2 12.062 3.566 21.519 1.00 3.40 H new ATOM 0 HG3 GLU A 2 10.671 2.802 22.262 1.00 3.40 H new ATOM 32 N THR A 3 7.876 5.787 19.282 1.00 1.01 N ATOM 33 CA THR A 3 7.272 7.027 18.794 1.00 1.00 C ATOM 34 C THR A 3 6.058 6.717 17.899 1.00 1.12 C ATOM 35 O THR A 3 5.911 5.574 17.454 1.00 1.18 O ATOM 36 CB THR A 3 8.329 7.878 18.064 1.00 1.04 C ATOM 37 OG1 THR A 3 8.299 7.637 16.675 1.00 1.35 O ATOM 38 CG2 THR A 3 9.773 7.708 18.550 1.00 1.28 C ATOM 0 H THR A 3 8.360 5.286 18.537 1.00 1.01 H new ATOM 0 HA THR A 3 6.908 7.610 19.640 1.00 1.00 H new ATOM 0 HB THR A 3 8.041 8.902 18.302 1.00 1.04 H new ATOM 0 HG1 THR A 3 8.268 8.491 16.195 1.00 1.35 H new ATOM 0 HG21 THR A 3 10.431 8.353 17.968 1.00 1.28 H new ATOM 0 HG22 THR A 3 9.837 7.981 19.603 1.00 1.28 H new ATOM 0 HG23 THR A 3 10.079 6.669 18.425 1.00 1.28 H new ATOM 46 N PRO A 4 5.187 7.704 17.592 1.00 1.31 N ATOM 47 CA PRO A 4 4.038 7.475 16.724 1.00 1.56 C ATOM 48 C PRO A 4 4.464 7.237 15.272 1.00 1.50 C ATOM 49 O PRO A 4 4.006 6.277 14.651 1.00 1.58 O ATOM 50 CB PRO A 4 3.152 8.718 16.875 1.00 1.88 C ATOM 51 CG PRO A 4 4.132 9.823 17.271 1.00 1.77 C ATOM 52 CD PRO A 4 5.197 9.080 18.078 1.00 1.45 C ATOM 0 HA PRO A 4 3.495 6.573 17.006 1.00 1.56 H new ATOM 0 HB2 PRO A 4 2.636 8.956 15.945 1.00 1.88 H new ATOM 0 HB3 PRO A 4 2.386 8.572 17.636 1.00 1.88 H new ATOM 0 HG2 PRO A 4 4.560 10.313 16.396 1.00 1.77 H new ATOM 0 HG3 PRO A 4 3.646 10.597 17.864 1.00 1.77 H new ATOM 0 HD2 PRO A 4 6.178 9.535 17.940 1.00 1.45 H new ATOM 0 HD3 PRO A 4 4.975 9.118 19.144 1.00 1.45 H new ATOM 60 N LEU A 5 5.351 8.075 14.717 1.00 1.42 N ATOM 61 CA LEU A 5 5.738 7.965 13.309 1.00 1.47 C ATOM 62 C LEU A 5 6.471 6.645 13.021 1.00 1.41 C ATOM 63 O LEU A 5 6.098 5.960 12.071 1.00 1.41 O ATOM 64 CB LEU A 5 6.516 9.228 12.901 1.00 1.47 C ATOM 65 CG LEU A 5 6.961 9.292 11.424 1.00 1.71 C ATOM 66 CD1 LEU A 5 5.811 9.061 10.430 1.00 1.93 C ATOM 67 CD2 LEU A 5 7.559 10.683 11.163 1.00 2.57 C ATOM 0 H LEU A 5 5.811 8.833 15.222 1.00 1.42 H new ATOM 0 HA LEU A 5 4.849 7.919 12.679 1.00 1.47 H new ATOM 0 HB2 LEU A 5 5.895 10.099 13.112 1.00 1.47 H new ATOM 0 HB3 LEU A 5 7.401 9.307 13.532 1.00 1.47 H new ATOM 0 HG LEU A 5 7.685 8.493 11.267 1.00 1.71 H new ATOM 0 HD11 LEU A 5 6.194 9.119 9.411 1.00 1.93 H new ATOM 0 HD12 LEU A 5 5.377 8.076 10.599 1.00 1.93 H new ATOM 0 HD13 LEU A 5 5.046 9.824 10.575 1.00 1.93 H new ATOM 0 HD21 LEU A 5 7.881 10.752 10.124 1.00 2.57 H new ATOM 0 HD22 LEU A 5 6.806 11.446 11.361 1.00 2.57 H new ATOM 0 HD23 LEU A 5 8.415 10.840 11.819 1.00 2.57 H new ATOM 79 N GLU A 6 7.415 6.227 13.869 1.00 1.40 N ATOM 80 CA GLU A 6 8.035 4.907 13.730 1.00 1.46 C ATOM 81 C GLU A 6 7.002 3.792 13.913 1.00 1.35 C ATOM 82 O GLU A 6 7.003 2.876 13.105 1.00 1.43 O ATOM 83 CB GLU A 6 9.235 4.750 14.674 1.00 1.74 C ATOM 84 CG GLU A 6 9.772 3.316 14.864 1.00 1.90 C ATOM 85 CD GLU A 6 10.092 2.504 13.600 1.00 3.34 C ATOM 86 OE1 GLU A 6 10.717 3.048 12.664 1.00 4.56 O ATOM 87 OE2 GLU A 6 9.739 1.300 13.619 1.00 3.97 O ATOM 0 H GLU A 6 7.764 6.779 14.653 1.00 1.40 H new ATOM 0 HA GLU A 6 8.422 4.821 12.715 1.00 1.46 H new ATOM 0 HB2 GLU A 6 10.048 5.373 14.301 1.00 1.74 H new ATOM 0 HB3 GLU A 6 8.955 5.143 15.651 1.00 1.74 H new ATOM 0 HG2 GLU A 6 10.679 3.374 15.465 1.00 1.90 H new ATOM 0 HG3 GLU A 6 9.039 2.757 15.446 1.00 1.90 H new ATOM 94 N LYS A 7 6.048 3.844 14.858 1.00 1.23 N ATOM 95 CA LYS A 7 5.101 2.718 14.973 1.00 1.24 C ATOM 96 C LYS A 7 4.274 2.526 13.695 1.00 1.10 C ATOM 97 O LYS A 7 3.786 1.426 13.414 1.00 1.12 O ATOM 98 CB LYS A 7 4.270 2.755 16.268 1.00 1.35 C ATOM 99 CG LYS A 7 2.888 3.442 16.271 1.00 2.26 C ATOM 100 CD LYS A 7 1.742 2.764 15.485 1.00 4.05 C ATOM 101 CE LYS A 7 1.504 1.301 15.905 1.00 4.68 C ATOM 102 NZ LYS A 7 0.394 0.671 15.141 1.00 6.91 N ATOM 0 H LYS A 7 5.913 4.608 15.521 1.00 1.23 H new ATOM 0 HA LYS A 7 5.699 1.812 15.068 1.00 1.24 H new ATOM 0 HB2 LYS A 7 4.122 1.724 16.589 1.00 1.35 H new ATOM 0 HB3 LYS A 7 4.877 3.242 17.031 1.00 1.35 H new ATOM 0 HG2 LYS A 7 2.568 3.544 17.308 1.00 2.26 H new ATOM 0 HG3 LYS A 7 3.015 4.450 15.875 1.00 2.26 H new ATOM 0 HD2 LYS A 7 0.823 3.332 15.632 1.00 4.05 H new ATOM 0 HD3 LYS A 7 1.971 2.797 14.420 1.00 4.05 H new ATOM 0 HE2 LYS A 7 2.419 0.728 15.753 1.00 4.68 H new ATOM 0 HE3 LYS A 7 1.277 1.263 16.970 1.00 4.68 H new ATOM 0 HZ1 LYS A 7 0.009 -0.129 15.683 1.00 6.91 H new ATOM 0 HZ2 LYS A 7 -0.357 1.372 14.978 1.00 6.91 H new ATOM 0 HZ3 LYS A 7 0.752 0.329 14.227 1.00 6.91 H new ATOM 116 N ALA A 8 4.078 3.597 12.923 1.00 0.96 N ATOM 117 CA ALA A 8 3.447 3.547 11.604 1.00 0.87 C ATOM 118 C ALA A 8 4.304 2.740 10.620 1.00 0.78 C ATOM 119 O ALA A 8 3.812 1.757 10.060 1.00 0.67 O ATOM 120 CB ALA A 8 3.194 4.973 11.107 1.00 0.99 C ATOM 0 H ALA A 8 4.358 4.537 13.202 1.00 0.96 H new ATOM 0 HA ALA A 8 2.487 3.036 11.679 1.00 0.87 H new ATOM 0 HB1 ALA A 8 2.724 4.938 10.124 1.00 0.99 H new ATOM 0 HB2 ALA A 8 2.536 5.490 11.806 1.00 0.99 H new ATOM 0 HB3 ALA A 8 4.141 5.507 11.037 1.00 0.99 H new ATOM 126 N LEU A 9 5.596 3.074 10.502 1.00 0.90 N ATOM 127 CA LEU A 9 6.590 2.284 9.769 1.00 0.87 C ATOM 128 C LEU A 9 6.660 0.844 10.298 1.00 0.81 C ATOM 129 O LEU A 9 6.664 -0.073 9.477 1.00 0.77 O ATOM 130 CB LEU A 9 7.981 2.965 9.814 1.00 0.98 C ATOM 131 CG LEU A 9 8.258 4.062 8.763 1.00 1.04 C ATOM 132 CD1 LEU A 9 8.288 3.491 7.337 1.00 1.12 C ATOM 133 CD2 LEU A 9 7.263 5.227 8.828 1.00 1.20 C ATOM 0 H LEU A 9 5.986 3.918 10.922 1.00 0.90 H new ATOM 0 HA LEU A 9 6.273 2.235 8.727 1.00 0.87 H new ATOM 0 HB2 LEU A 9 8.112 3.403 10.804 1.00 0.98 H new ATOM 0 HB3 LEU A 9 8.741 2.191 9.705 1.00 0.98 H new ATOM 0 HG LEU A 9 9.244 4.455 9.013 1.00 1.04 H new ATOM 0 HD11 LEU A 9 8.486 4.294 6.627 1.00 1.12 H new ATOM 0 HD12 LEU A 9 9.074 2.740 7.262 1.00 1.12 H new ATOM 0 HD13 LEU A 9 7.326 3.033 7.108 1.00 1.12 H new ATOM 0 HD21 LEU A 9 7.514 5.963 8.064 1.00 1.20 H new ATOM 0 HD22 LEU A 9 6.254 4.854 8.655 1.00 1.20 H new ATOM 0 HD23 LEU A 9 7.313 5.694 9.812 1.00 1.20 H new ATOM 145 N THR A 10 6.589 0.607 11.622 1.00 0.83 N ATOM 146 CA THR A 10 6.612 -0.749 12.196 1.00 0.87 C ATOM 147 C THR A 10 5.391 -1.552 11.751 1.00 0.74 C ATOM 148 O THR A 10 5.503 -2.733 11.431 1.00 0.69 O ATOM 149 CB THR A 10 6.692 -0.781 13.726 1.00 0.98 C ATOM 150 OG1 THR A 10 7.412 0.275 14.312 1.00 1.27 O ATOM 151 CG2 THR A 10 7.333 -2.099 14.159 1.00 1.60 C ATOM 0 H THR A 10 6.514 1.347 12.320 1.00 0.83 H new ATOM 0 HA THR A 10 7.529 -1.199 11.815 1.00 0.87 H new ATOM 0 HB THR A 10 5.665 -0.675 14.075 1.00 0.98 H new ATOM 0 HG1 THR A 10 8.300 0.332 13.902 1.00 1.27 H new ATOM 0 HG21 THR A 10 7.395 -2.133 15.247 1.00 1.60 H new ATOM 0 HG22 THR A 10 6.727 -2.932 13.804 1.00 1.60 H new ATOM 0 HG23 THR A 10 8.335 -2.173 13.736 1.00 1.60 H new ATOM 159 N THR A 11 4.219 -0.902 11.679 1.00 0.73 N ATOM 160 CA THR A 11 2.969 -1.489 11.160 1.00 0.67 C ATOM 161 C THR A 11 3.112 -1.795 9.668 1.00 0.61 C ATOM 162 O THR A 11 2.620 -2.817 9.202 1.00 0.63 O ATOM 163 CB THR A 11 1.768 -0.562 11.391 1.00 0.70 C ATOM 164 OG1 THR A 11 1.734 -0.129 12.735 1.00 1.00 O ATOM 165 CG2 THR A 11 0.431 -1.250 11.108 1.00 0.72 C ATOM 0 H THR A 11 4.109 0.065 11.985 1.00 0.73 H new ATOM 0 HA THR A 11 2.786 -2.415 11.706 1.00 0.67 H new ATOM 0 HB THR A 11 1.897 0.273 10.702 1.00 0.70 H new ATOM 0 HG1 THR A 11 2.340 0.633 12.849 1.00 1.00 H new ATOM 0 HG21 THR A 11 -0.384 -0.549 11.287 1.00 0.72 H new ATOM 0 HG22 THR A 11 0.404 -1.580 10.069 1.00 0.72 H new ATOM 0 HG23 THR A 11 0.319 -2.112 11.765 1.00 0.72 H new ATOM 173 N MET A 12 3.807 -0.930 8.925 1.00 0.62 N ATOM 174 CA MET A 12 4.024 -1.067 7.491 1.00 0.60 C ATOM 175 C MET A 12 5.039 -2.180 7.164 1.00 0.66 C ATOM 176 O MET A 12 4.742 -3.020 6.319 1.00 0.65 O ATOM 177 CB MET A 12 4.422 0.318 6.949 1.00 0.62 C ATOM 178 CG MET A 12 4.286 0.370 5.435 1.00 1.89 C ATOM 179 SD MET A 12 4.985 1.851 4.660 1.00 2.12 S ATOM 180 CE MET A 12 3.739 3.081 5.121 1.00 0.98 C ATOM 0 H MET A 12 4.243 -0.096 9.318 1.00 0.62 H new ATOM 0 HA MET A 12 3.111 -1.390 6.991 1.00 0.60 H new ATOM 0 HB2 MET A 12 3.792 1.084 7.401 1.00 0.62 H new ATOM 0 HB3 MET A 12 5.450 0.542 7.233 1.00 0.62 H new ATOM 0 HG2 MET A 12 4.771 -0.509 5.010 1.00 1.89 H new ATOM 0 HG3 MET A 12 3.229 0.306 5.177 1.00 1.89 H new ATOM 0 HE1 MET A 12 4.022 4.054 4.719 1.00 0.98 H new ATOM 0 HE2 MET A 12 2.771 2.788 4.715 1.00 0.98 H new ATOM 0 HE3 MET A 12 3.673 3.143 6.207 1.00 0.98 H new ATOM 190 N VAL A 13 6.187 -2.257 7.845 1.00 0.75 N ATOM 191 CA VAL A 13 7.189 -3.334 7.649 1.00 0.82 C ATOM 192 C VAL A 13 6.695 -4.701 8.133 1.00 0.85 C ATOM 193 O VAL A 13 7.082 -5.707 7.533 1.00 0.93 O ATOM 194 CB VAL A 13 8.568 -3.067 8.305 1.00 0.88 C ATOM 195 CG1 VAL A 13 9.257 -1.828 7.723 1.00 0.91 C ATOM 196 CG2 VAL A 13 8.480 -2.965 9.833 1.00 0.86 C ATOM 0 H VAL A 13 6.458 -1.575 8.554 1.00 0.75 H new ATOM 0 HA VAL A 13 7.323 -3.341 6.567 1.00 0.82 H new ATOM 0 HB VAL A 13 9.182 -3.935 8.066 1.00 0.88 H new ATOM 0 HG11 VAL A 13 10.219 -1.682 8.214 1.00 0.91 H new ATOM 0 HG12 VAL A 13 9.413 -1.967 6.653 1.00 0.91 H new ATOM 0 HG13 VAL A 13 8.630 -0.952 7.887 1.00 0.91 H new ATOM 0 HG21 VAL A 13 9.472 -2.778 10.243 1.00 0.86 H new ATOM 0 HG22 VAL A 13 7.814 -2.146 10.105 1.00 0.86 H new ATOM 0 HG23 VAL A 13 8.091 -3.899 10.238 1.00 0.86 H new ATOM 206 N THR A 14 5.847 -4.772 9.173 1.00 0.83 N ATOM 207 CA THR A 14 5.247 -6.051 9.600 1.00 0.91 C ATOM 208 C THR A 14 4.311 -6.574 8.536 1.00 0.94 C ATOM 209 O THR A 14 4.485 -7.713 8.112 1.00 1.16 O ATOM 210 CB THR A 14 4.496 -5.985 10.933 1.00 0.90 C ATOM 211 OG1 THR A 14 3.791 -4.785 11.068 1.00 1.95 O ATOM 212 CG2 THR A 14 5.453 -6.111 12.098 1.00 2.50 C ATOM 0 H THR A 14 5.562 -3.967 9.731 1.00 0.83 H new ATOM 0 HA THR A 14 6.090 -6.726 9.748 1.00 0.91 H new ATOM 0 HB THR A 14 3.792 -6.817 10.937 1.00 0.90 H new ATOM 0 HG1 THR A 14 4.409 -4.070 11.327 1.00 1.95 H new ATOM 0 HG21 THR A 14 4.896 -6.061 13.034 1.00 2.50 H new ATOM 0 HG22 THR A 14 5.976 -7.065 12.038 1.00 2.50 H new ATOM 0 HG23 THR A 14 6.177 -5.297 12.063 1.00 2.50 H new ATOM 220 N THR A 15 3.378 -5.737 8.073 1.00 0.76 N ATOM 221 CA THR A 15 2.428 -6.112 7.022 1.00 0.76 C ATOM 222 C THR A 15 3.102 -6.387 5.681 1.00 0.78 C ATOM 223 O THR A 15 2.640 -7.259 4.956 1.00 0.93 O ATOM 224 CB THR A 15 1.282 -5.107 6.860 1.00 0.65 C ATOM 225 OG1 THR A 15 1.738 -3.770 6.861 1.00 1.22 O ATOM 226 CG2 THR A 15 0.253 -5.276 7.977 1.00 0.93 C ATOM 0 H THR A 15 3.260 -4.783 8.415 1.00 0.76 H new ATOM 0 HA THR A 15 1.989 -7.049 7.365 1.00 0.76 H new ATOM 0 HB THR A 15 0.824 -5.315 5.893 1.00 0.65 H new ATOM 0 HG1 THR A 15 1.731 -3.423 7.777 1.00 1.22 H new ATOM 0 HG21 THR A 15 -0.552 -4.553 7.843 1.00 0.93 H new ATOM 0 HG22 THR A 15 -0.157 -6.285 7.944 1.00 0.93 H new ATOM 0 HG23 THR A 15 0.733 -5.110 8.942 1.00 0.93 H new ATOM 234 N PHE A 16 4.213 -5.724 5.360 1.00 0.76 N ATOM 235 CA PHE A 16 5.025 -6.063 4.191 1.00 0.77 C ATOM 236 C PHE A 16 5.729 -7.421 4.364 1.00 0.77 C ATOM 237 O PHE A 16 5.682 -8.265 3.468 1.00 0.75 O ATOM 238 CB PHE A 16 6.014 -4.919 3.950 1.00 0.79 C ATOM 239 CG PHE A 16 6.777 -4.992 2.646 1.00 0.77 C ATOM 240 CD1 PHE A 16 6.218 -4.478 1.458 1.00 2.01 C ATOM 241 CD2 PHE A 16 8.083 -5.511 2.631 1.00 2.03 C ATOM 242 CE1 PHE A 16 6.982 -4.421 0.281 1.00 2.11 C ATOM 243 CE2 PHE A 16 8.831 -5.483 1.446 1.00 1.96 C ATOM 244 CZ PHE A 16 8.293 -4.923 0.274 1.00 0.84 C ATOM 0 H PHE A 16 4.575 -4.939 5.901 1.00 0.76 H new ATOM 0 HA PHE A 16 4.387 -6.175 3.314 1.00 0.77 H new ATOM 0 HB2 PHE A 16 5.469 -3.976 3.981 1.00 0.79 H new ATOM 0 HB3 PHE A 16 6.730 -4.900 4.771 1.00 0.79 H new ATOM 0 HD1 PHE A 16 5.197 -4.126 1.453 1.00 2.01 H new ATOM 0 HD2 PHE A 16 8.509 -5.930 3.530 1.00 2.03 H new ATOM 0 HE1 PHE A 16 6.562 -3.992 -0.617 1.00 2.11 H new ATOM 0 HE2 PHE A 16 9.829 -5.895 1.433 1.00 1.96 H new ATOM 0 HZ PHE A 16 8.886 -4.879 -0.628 1.00 0.84 H new ATOM 254 N HIS A 17 6.317 -7.681 5.540 1.00 0.81 N ATOM 255 CA HIS A 17 6.887 -8.991 5.890 1.00 0.76 C ATOM 256 C HIS A 17 5.852 -10.137 5.857 1.00 0.76 C ATOM 257 O HIS A 17 6.206 -11.281 5.574 1.00 0.82 O ATOM 258 CB HIS A 17 7.647 -8.903 7.223 1.00 0.85 C ATOM 259 CG HIS A 17 8.426 -10.159 7.547 1.00 1.00 C ATOM 260 ND1 HIS A 17 7.902 -11.324 8.057 1.00 1.75 N ATOM 261 CD2 HIS A 17 9.757 -10.384 7.320 1.00 1.34 C ATOM 262 CE1 HIS A 17 8.892 -12.229 8.133 1.00 2.07 C ATOM 263 NE2 HIS A 17 10.049 -11.699 7.708 1.00 1.68 N ATOM 0 H HIS A 17 6.411 -6.985 6.280 1.00 0.81 H new ATOM 0 HA HIS A 17 7.606 -9.254 5.114 1.00 0.76 H new ATOM 0 HB2 HIS A 17 8.333 -8.056 7.188 1.00 0.85 H new ATOM 0 HB3 HIS A 17 6.937 -8.705 8.026 1.00 0.85 H new ATOM 0 HD1 HIS A 17 6.931 -11.475 8.330 1.00 1.75 H new ATOM 0 HD2 HIS A 17 10.460 -9.672 6.913 1.00 1.34 H new ATOM 0 HE1 HIS A 17 8.773 -13.242 8.487 1.00 2.07 H new ATOM 272 N LYS A 18 4.566 -9.843 6.078 1.00 0.81 N ATOM 273 CA LYS A 18 3.453 -10.799 5.965 1.00 0.89 C ATOM 274 C LYS A 18 3.339 -11.422 4.551 1.00 0.79 C ATOM 275 O LYS A 18 2.683 -12.451 4.397 1.00 0.92 O ATOM 276 CB LYS A 18 2.169 -10.076 6.434 1.00 1.09 C ATOM 277 CG LYS A 18 1.049 -10.955 7.020 1.00 1.27 C ATOM 278 CD LYS A 18 -0.028 -11.361 6.000 1.00 2.00 C ATOM 279 CE LYS A 18 -1.240 -11.993 6.699 1.00 2.32 C ATOM 280 NZ LYS A 18 -2.139 -10.957 7.266 1.00 2.92 N ATOM 0 H LYS A 18 4.260 -8.908 6.348 1.00 0.81 H new ATOM 0 HA LYS A 18 3.631 -11.661 6.607 1.00 0.89 H new ATOM 0 HB2 LYS A 18 2.450 -9.339 7.186 1.00 1.09 H new ATOM 0 HB3 LYS A 18 1.760 -9.526 5.586 1.00 1.09 H new ATOM 0 HG2 LYS A 18 1.493 -11.857 7.442 1.00 1.27 H new ATOM 0 HG3 LYS A 18 0.573 -10.419 7.841 1.00 1.27 H new ATOM 0 HD2 LYS A 18 -0.346 -10.485 5.434 1.00 2.00 H new ATOM 0 HD3 LYS A 18 0.392 -12.067 5.284 1.00 2.00 H new ATOM 0 HE2 LYS A 18 -1.793 -12.607 5.988 1.00 2.32 H new ATOM 0 HE3 LYS A 18 -0.899 -12.656 7.494 1.00 2.32 H new ATOM 0 HZ1 LYS A 18 -2.500 -11.277 8.188 1.00 2.92 H new ATOM 0 HZ2 LYS A 18 -1.611 -10.069 7.390 1.00 2.92 H new ATOM 0 HZ3 LYS A 18 -2.937 -10.798 6.618 1.00 2.92 H new ATOM 294 N TYR A 19 3.995 -10.825 3.541 1.00 0.74 N ATOM 295 CA TYR A 19 4.033 -11.298 2.152 1.00 0.82 C ATOM 296 C TYR A 19 5.458 -11.466 1.576 1.00 0.93 C ATOM 297 O TYR A 19 5.689 -12.450 0.878 1.00 1.40 O ATOM 298 CB TYR A 19 3.190 -10.349 1.291 1.00 0.83 C ATOM 299 CG TYR A 19 1.715 -10.332 1.657 1.00 0.82 C ATOM 300 CD1 TYR A 19 1.251 -9.452 2.650 1.00 1.83 C ATOM 301 CD2 TYR A 19 0.807 -11.215 1.033 1.00 2.17 C ATOM 302 CE1 TYR A 19 -0.104 -9.450 3.022 1.00 1.81 C ATOM 303 CE2 TYR A 19 -0.558 -11.207 1.390 1.00 2.24 C ATOM 304 CZ TYR A 19 -1.009 -10.331 2.400 1.00 0.92 C ATOM 305 OH TYR A 19 -2.306 -10.346 2.795 1.00 1.01 O ATOM 0 H TYR A 19 4.532 -9.969 3.678 1.00 0.74 H new ATOM 0 HA TYR A 19 3.614 -12.304 2.137 1.00 0.82 H new ATOM 0 HB2 TYR A 19 3.589 -9.339 1.384 1.00 0.83 H new ATOM 0 HB3 TYR A 19 3.291 -10.637 0.245 1.00 0.83 H new ATOM 0 HD1 TYR A 19 1.940 -8.773 3.130 1.00 1.83 H new ATOM 0 HD2 TYR A 19 1.160 -11.901 0.277 1.00 2.17 H new ATOM 0 HE1 TYR A 19 -0.452 -8.771 3.787 1.00 1.81 H new ATOM 0 HE2 TYR A 19 -1.253 -11.867 0.893 1.00 2.24 H new ATOM 0 HH TYR A 19 -2.561 -9.456 3.116 1.00 1.01 H new ATOM 315 N SER A 20 6.430 -10.595 1.875 1.00 0.94 N ATOM 316 CA SER A 20 7.833 -10.780 1.443 1.00 0.98 C ATOM 317 C SER A 20 8.475 -12.034 2.066 1.00 1.05 C ATOM 318 O SER A 20 9.169 -12.787 1.390 1.00 1.57 O ATOM 319 CB SER A 20 8.663 -9.537 1.788 1.00 1.07 C ATOM 320 OG SER A 20 8.735 -9.301 3.177 1.00 1.70 O ATOM 0 H SER A 20 6.274 -9.746 2.419 1.00 0.94 H new ATOM 0 HA SER A 20 7.822 -10.922 0.362 1.00 0.98 H new ATOM 0 HB2 SER A 20 9.671 -9.656 1.391 1.00 1.07 H new ATOM 0 HB3 SER A 20 8.228 -8.666 1.297 1.00 1.07 H new ATOM 0 HG SER A 20 9.667 -9.139 3.433 1.00 1.70 H new ATOM 326 N GLY A 21 8.139 -12.344 3.329 1.00 0.94 N ATOM 327 CA GLY A 21 8.541 -13.576 4.023 1.00 1.05 C ATOM 328 C GLY A 21 7.927 -14.857 3.448 1.00 1.29 C ATOM 329 O GLY A 21 8.101 -15.923 4.031 1.00 1.78 O ATOM 0 H GLY A 21 7.567 -11.730 3.908 1.00 0.94 H new ATOM 0 HA2 GLY A 21 9.627 -13.661 3.987 1.00 1.05 H new ATOM 0 HA3 GLY A 21 8.262 -13.494 5.074 1.00 1.05 H new ATOM 332 N ARG A 22 7.226 -14.767 2.309 1.00 1.40 N ATOM 333 CA ARG A 22 6.721 -15.883 1.523 1.00 1.78 C ATOM 334 C ARG A 22 7.597 -16.214 0.302 1.00 2.30 C ATOM 335 O ARG A 22 7.507 -17.345 -0.161 1.00 2.88 O ATOM 336 CB ARG A 22 5.312 -15.542 1.090 1.00 1.79 C ATOM 337 CG ARG A 22 4.536 -16.844 0.860 1.00 2.20 C ATOM 338 CD ARG A 22 3.302 -16.530 0.052 1.00 2.20 C ATOM 339 NE ARG A 22 3.566 -15.910 -1.250 1.00 2.73 N ATOM 340 CZ ARG A 22 4.442 -16.138 -2.221 1.00 3.78 C ATOM 341 NH1 ARG A 22 5.440 -16.996 -2.174 1.00 4.50 N ATOM 342 NH2 ARG A 22 4.284 -15.420 -3.302 1.00 4.99 N ATOM 0 H ARG A 22 6.988 -13.865 1.897 1.00 1.40 H new ATOM 0 HA ARG A 22 6.738 -16.778 2.145 1.00 1.78 H new ATOM 0 HB2 ARG A 22 4.819 -14.939 1.852 1.00 1.79 H new ATOM 0 HB3 ARG A 22 5.331 -14.948 0.176 1.00 1.79 H new ATOM 0 HG2 ARG A 22 5.159 -17.568 0.334 1.00 2.20 H new ATOM 0 HG3 ARG A 22 4.260 -17.294 1.814 1.00 2.20 H new ATOM 0 HD2 ARG A 22 2.743 -17.452 -0.106 1.00 2.20 H new ATOM 0 HD3 ARG A 22 2.663 -15.865 0.633 1.00 2.20 H new ATOM 0 HE ARG A 22 2.939 -15.132 -1.455 1.00 2.73 H new ATOM 0 HH11 ARG A 22 5.591 -17.557 -1.336 1.00 4.50 H new ATOM 0 HH12 ARG A 22 6.062 -17.099 -2.976 1.00 4.50 H new ATOM 0 HH21 ARG A 22 3.526 -14.740 -3.356 1.00 4.99 H new ATOM 0 HH22 ARG A 22 4.919 -15.540 -4.091 1.00 4.99 H new ATOM 356 N GLU A 23 8.360 -15.241 -0.203 1.00 2.34 N ATOM 357 CA GLU A 23 9.491 -15.270 -1.159 1.00 2.96 C ATOM 358 C GLU A 23 9.334 -14.291 -2.337 1.00 3.78 C ATOM 359 O GLU A 23 8.257 -13.747 -2.596 1.00 5.24 O ATOM 360 CB GLU A 23 9.986 -16.662 -1.635 1.00 2.93 C ATOM 361 CG GLU A 23 11.088 -17.246 -0.739 1.00 4.82 C ATOM 362 CD GLU A 23 12.443 -16.535 -0.897 1.00 6.70 C ATOM 363 OE1 GLU A 23 12.473 -15.454 -1.535 1.00 7.32 O ATOM 364 OE2 GLU A 23 13.437 -17.065 -0.355 1.00 7.93 O ATOM 0 H GLU A 23 8.180 -14.279 0.084 1.00 2.34 H new ATOM 0 HA GLU A 23 10.303 -14.912 -0.526 1.00 2.96 H new ATOM 0 HB2 GLU A 23 9.143 -17.352 -1.661 1.00 2.93 H new ATOM 0 HB3 GLU A 23 10.361 -16.579 -2.655 1.00 2.93 H new ATOM 0 HG2 GLU A 23 10.772 -17.182 0.302 1.00 4.82 H new ATOM 0 HG3 GLU A 23 11.212 -18.304 -0.970 1.00 4.82 H new ATOM 371 N GLY A 24 10.465 -14.076 -3.017 1.00 3.71 N ATOM 372 CA GLY A 24 10.830 -12.817 -3.667 1.00 4.66 C ATOM 373 C GLY A 24 11.792 -12.015 -2.784 1.00 3.91 C ATOM 374 O GLY A 24 11.748 -10.792 -2.827 1.00 5.19 O ATOM 0 H GLY A 24 11.174 -14.800 -3.133 1.00 3.71 H new ATOM 0 HA2 GLY A 24 11.296 -13.021 -4.631 1.00 4.66 H new ATOM 0 HA3 GLY A 24 9.933 -12.230 -3.864 1.00 4.66 H new ATOM 377 N SER A 25 12.591 -12.692 -1.941 1.00 2.35 N ATOM 378 CA SER A 25 13.440 -12.147 -0.869 1.00 1.63 C ATOM 379 C SER A 25 12.631 -11.607 0.325 1.00 1.50 C ATOM 380 O SER A 25 11.590 -10.975 0.151 1.00 1.80 O ATOM 381 CB SER A 25 14.469 -11.115 -1.389 1.00 2.14 C ATOM 382 OG SER A 25 14.309 -9.802 -0.858 1.00 2.93 O ATOM 0 H SER A 25 12.665 -13.708 -1.996 1.00 2.35 H new ATOM 0 HA SER A 25 14.012 -12.994 -0.491 1.00 1.63 H new ATOM 0 HB2 SER A 25 15.472 -11.470 -1.152 1.00 2.14 H new ATOM 0 HB3 SER A 25 14.397 -11.065 -2.476 1.00 2.14 H new ATOM 0 HG SER A 25 13.988 -9.201 -1.562 1.00 2.93 H new ATOM 388 N LYS A 26 13.096 -11.745 1.575 1.00 1.45 N ATOM 389 CA LYS A 26 12.233 -11.356 2.708 1.00 1.49 C ATOM 390 C LYS A 26 12.035 -9.830 2.872 1.00 1.31 C ATOM 391 O LYS A 26 11.344 -9.406 3.800 1.00 1.47 O ATOM 392 CB LYS A 26 12.632 -12.091 4.001 1.00 1.77 C ATOM 393 CG LYS A 26 13.915 -11.565 4.662 1.00 1.80 C ATOM 394 CD LYS A 26 14.165 -12.227 6.026 1.00 1.76 C ATOM 395 CE LYS A 26 13.061 -11.896 7.038 1.00 2.43 C ATOM 396 NZ LYS A 26 13.428 -12.306 8.407 1.00 3.26 N ATOM 0 H LYS A 26 14.017 -12.104 1.825 1.00 1.45 H new ATOM 0 HA LYS A 26 11.229 -11.700 2.458 1.00 1.49 H new ATOM 0 HB2 LYS A 26 11.812 -12.014 4.715 1.00 1.77 H new ATOM 0 HB3 LYS A 26 12.761 -13.150 3.777 1.00 1.77 H new ATOM 0 HG2 LYS A 26 14.765 -11.752 4.006 1.00 1.80 H new ATOM 0 HG3 LYS A 26 13.842 -10.485 4.790 1.00 1.80 H new ATOM 0 HD2 LYS A 26 14.227 -13.308 5.898 1.00 1.76 H new ATOM 0 HD3 LYS A 26 15.127 -11.897 6.418 1.00 1.76 H new ATOM 0 HE2 LYS A 26 12.862 -10.824 7.021 1.00 2.43 H new ATOM 0 HE3 LYS A 26 12.138 -12.396 6.745 1.00 2.43 H new ATOM 0 HZ1 LYS A 26 12.720 -11.946 9.079 1.00 3.26 H new ATOM 0 HZ2 LYS A 26 13.460 -13.344 8.462 1.00 3.26 H new ATOM 0 HZ3 LYS A 26 14.362 -11.918 8.647 1.00 3.26 H new ATOM 410 N LEU A 27 12.611 -9.000 1.989 1.00 1.14 N ATOM 411 CA LEU A 27 12.501 -7.527 1.960 1.00 1.09 C ATOM 412 C LEU A 27 12.107 -6.937 0.586 1.00 0.96 C ATOM 413 O LEU A 27 12.040 -5.711 0.457 1.00 1.05 O ATOM 414 CB LEU A 27 13.825 -6.915 2.434 1.00 1.43 C ATOM 415 CG LEU A 27 14.195 -7.187 3.901 1.00 2.67 C ATOM 416 CD1 LEU A 27 15.567 -6.558 4.125 1.00 3.06 C ATOM 417 CD2 LEU A 27 13.185 -6.605 4.903 1.00 3.63 C ATOM 0 H LEU A 27 13.198 -9.354 1.234 1.00 1.14 H new ATOM 0 HA LEU A 27 11.682 -7.268 2.631 1.00 1.09 H new ATOM 0 HB2 LEU A 27 14.627 -7.293 1.800 1.00 1.43 H new ATOM 0 HB3 LEU A 27 13.781 -5.836 2.283 1.00 1.43 H new ATOM 0 HG LEU A 27 14.193 -8.263 4.074 1.00 2.67 H new ATOM 0 HD11 LEU A 27 15.879 -6.723 5.156 1.00 3.06 H new ATOM 0 HD12 LEU A 27 16.291 -7.014 3.450 1.00 3.06 H new ATOM 0 HD13 LEU A 27 15.513 -5.487 3.929 1.00 3.06 H new ATOM 0 HD21 LEU A 27 13.507 -6.834 5.919 1.00 3.63 H new ATOM 0 HD22 LEU A 27 13.127 -5.524 4.775 1.00 3.63 H new ATOM 0 HD23 LEU A 27 12.203 -7.044 4.726 1.00 3.63 H new ATOM 429 N THR A 28 11.809 -7.789 -0.392 1.00 0.94 N ATOM 430 CA THR A 28 11.107 -7.455 -1.648 1.00 0.87 C ATOM 431 C THR A 28 9.921 -8.416 -1.823 1.00 0.86 C ATOM 432 O THR A 28 9.645 -9.203 -0.928 1.00 0.92 O ATOM 433 CB THR A 28 12.078 -7.436 -2.848 1.00 0.97 C ATOM 434 OG1 THR A 28 12.974 -8.514 -2.806 1.00 1.27 O ATOM 435 CG2 THR A 28 12.970 -6.194 -2.847 1.00 1.04 C ATOM 0 H THR A 28 12.057 -8.777 -0.337 1.00 0.94 H new ATOM 0 HA THR A 28 10.706 -6.443 -1.599 1.00 0.87 H new ATOM 0 HB THR A 28 11.433 -7.470 -3.726 1.00 0.97 H new ATOM 0 HG1 THR A 28 12.501 -9.321 -2.513 1.00 1.27 H new ATOM 0 HG21 THR A 28 13.636 -6.224 -3.709 1.00 1.04 H new ATOM 0 HG22 THR A 28 12.349 -5.300 -2.899 1.00 1.04 H new ATOM 0 HG23 THR A 28 13.562 -6.172 -1.932 1.00 1.04 H new ATOM 443 N LEU A 29 9.166 -8.350 -2.919 1.00 0.90 N ATOM 444 CA LEU A 29 8.100 -9.321 -3.258 1.00 0.91 C ATOM 445 C LEU A 29 7.661 -9.187 -4.714 1.00 0.93 C ATOM 446 O LEU A 29 7.811 -8.122 -5.308 1.00 0.79 O ATOM 447 CB LEU A 29 6.888 -9.252 -2.288 1.00 0.89 C ATOM 448 CG LEU A 29 5.908 -8.069 -2.447 1.00 0.90 C ATOM 449 CD1 LEU A 29 4.841 -8.154 -1.342 1.00 0.96 C ATOM 450 CD2 LEU A 29 6.585 -6.699 -2.348 1.00 0.99 C ATOM 0 H LEU A 29 9.272 -7.612 -3.615 1.00 0.90 H new ATOM 0 HA LEU A 29 8.537 -10.311 -3.131 1.00 0.91 H new ATOM 0 HB2 LEU A 29 6.319 -10.176 -2.396 1.00 0.89 H new ATOM 0 HB3 LEU A 29 7.275 -9.233 -1.269 1.00 0.89 H new ATOM 0 HG LEU A 29 5.477 -8.152 -3.445 1.00 0.90 H new ATOM 0 HD11 LEU A 29 4.143 -7.323 -1.445 1.00 0.96 H new ATOM 0 HD12 LEU A 29 4.299 -9.096 -1.431 1.00 0.96 H new ATOM 0 HD13 LEU A 29 5.323 -8.104 -0.366 1.00 0.96 H new ATOM 0 HD21 LEU A 29 5.838 -5.914 -2.469 1.00 0.99 H new ATOM 0 HD22 LEU A 29 7.062 -6.599 -1.373 1.00 0.99 H new ATOM 0 HD23 LEU A 29 7.337 -6.607 -3.132 1.00 0.99 H new ATOM 462 N SER A 30 7.070 -10.231 -5.299 1.00 1.17 N ATOM 463 CA SER A 30 6.524 -10.104 -6.656 1.00 1.18 C ATOM 464 C SER A 30 5.292 -9.175 -6.705 1.00 1.14 C ATOM 465 O SER A 30 4.434 -9.155 -5.815 1.00 1.20 O ATOM 466 CB SER A 30 6.257 -11.465 -7.302 1.00 1.40 C ATOM 467 OG SER A 30 5.320 -12.238 -6.572 1.00 1.74 O ATOM 0 H SER A 30 6.958 -11.150 -4.871 1.00 1.17 H new ATOM 0 HA SER A 30 7.295 -9.624 -7.259 1.00 1.18 H new ATOM 0 HB2 SER A 30 5.888 -11.316 -8.317 1.00 1.40 H new ATOM 0 HB3 SER A 30 7.194 -12.016 -7.382 1.00 1.40 H new ATOM 0 HG SER A 30 5.181 -13.096 -7.024 1.00 1.74 H new ATOM 473 N ARG A 31 5.197 -8.369 -7.760 1.00 1.10 N ATOM 474 CA ARG A 31 4.310 -7.206 -7.868 1.00 1.16 C ATOM 475 C ARG A 31 2.812 -7.569 -7.803 1.00 1.08 C ATOM 476 O ARG A 31 1.999 -6.821 -7.261 1.00 1.15 O ATOM 477 CB ARG A 31 4.766 -6.460 -9.134 1.00 1.48 C ATOM 478 CG ARG A 31 4.127 -5.085 -9.403 1.00 1.41 C ATOM 479 CD ARG A 31 5.233 -4.075 -9.799 1.00 1.47 C ATOM 480 NE ARG A 31 4.884 -2.647 -9.621 1.00 2.08 N ATOM 481 CZ ARG A 31 4.302 -1.812 -10.472 1.00 2.44 C ATOM 482 NH1 ARG A 31 3.703 -2.244 -11.557 1.00 3.48 N ATOM 483 NH2 ARG A 31 4.306 -0.520 -10.219 1.00 3.10 N ATOM 0 H ARG A 31 5.758 -8.512 -8.600 1.00 1.10 H new ATOM 0 HA ARG A 31 4.395 -6.544 -7.006 1.00 1.16 H new ATOM 0 HB2 ARG A 31 5.846 -6.326 -9.078 1.00 1.48 H new ATOM 0 HB3 ARG A 31 4.568 -7.100 -9.994 1.00 1.48 H new ATOM 0 HG2 ARG A 31 3.388 -5.164 -10.201 1.00 1.41 H new ATOM 0 HG3 ARG A 31 3.601 -4.736 -8.515 1.00 1.41 H new ATOM 0 HD2 ARG A 31 6.125 -4.289 -9.210 1.00 1.47 H new ATOM 0 HD3 ARG A 31 5.494 -4.240 -10.844 1.00 1.47 H new ATOM 0 HE ARG A 31 5.126 -2.248 -8.714 1.00 2.08 H new ATOM 0 HH11 ARG A 31 3.677 -3.243 -11.762 1.00 3.48 H new ATOM 0 HH12 ARG A 31 3.263 -1.581 -12.195 1.00 3.48 H new ATOM 0 HH21 ARG A 31 4.755 -0.167 -9.374 1.00 3.10 H new ATOM 0 HH22 ARG A 31 3.861 0.128 -10.868 1.00 3.10 H new ATOM 497 N LYS A 32 2.445 -8.787 -8.217 1.00 1.02 N ATOM 498 CA LYS A 32 1.140 -9.430 -7.988 1.00 1.02 C ATOM 499 C LYS A 32 0.781 -9.581 -6.500 1.00 0.97 C ATOM 500 O LYS A 32 -0.404 -9.617 -6.160 1.00 1.10 O ATOM 501 CB LYS A 32 1.179 -10.811 -8.673 1.00 1.10 C ATOM 502 CG LYS A 32 -0.104 -11.637 -8.476 1.00 1.54 C ATOM 503 CD LYS A 32 0.084 -12.686 -7.369 1.00 3.33 C ATOM 504 CE LYS A 32 -1.225 -12.969 -6.613 1.00 4.83 C ATOM 505 NZ LYS A 32 -1.316 -12.202 -5.349 1.00 6.70 N ATOM 0 H LYS A 32 3.080 -9.383 -8.748 1.00 1.02 H new ATOM 0 HA LYS A 32 0.363 -8.792 -8.409 1.00 1.02 H new ATOM 0 HB2 LYS A 32 1.351 -10.672 -9.740 1.00 1.10 H new ATOM 0 HB3 LYS A 32 2.027 -11.375 -8.285 1.00 1.10 H new ATOM 0 HG2 LYS A 32 -0.931 -10.975 -8.219 1.00 1.54 H new ATOM 0 HG3 LYS A 32 -0.370 -12.132 -9.410 1.00 1.54 H new ATOM 0 HD2 LYS A 32 0.457 -13.612 -7.807 1.00 3.33 H new ATOM 0 HD3 LYS A 32 0.841 -12.339 -6.666 1.00 3.33 H new ATOM 0 HE2 LYS A 32 -2.073 -12.718 -7.251 1.00 4.83 H new ATOM 0 HE3 LYS A 32 -1.294 -14.035 -6.395 1.00 4.83 H new ATOM 0 HZ1 LYS A 32 -2.303 -12.190 -5.020 1.00 6.70 H new ATOM 0 HZ2 LYS A 32 -0.716 -12.650 -4.627 1.00 6.70 H new ATOM 0 HZ3 LYS A 32 -0.994 -11.227 -5.511 1.00 6.70 H new ATOM 519 N GLU A 33 1.757 -9.700 -5.608 1.00 0.93 N ATOM 520 CA GLU A 33 1.501 -9.901 -4.188 1.00 0.88 C ATOM 521 C GLU A 33 1.157 -8.586 -3.480 1.00 0.77 C ATOM 522 O GLU A 33 0.248 -8.553 -2.649 1.00 0.78 O ATOM 523 CB GLU A 33 2.708 -10.620 -3.568 1.00 0.93 C ATOM 524 CG GLU A 33 2.309 -11.484 -2.376 1.00 1.20 C ATOM 525 CD GLU A 33 1.645 -12.794 -2.811 1.00 1.55 C ATOM 526 OE1 GLU A 33 0.609 -12.754 -3.516 1.00 2.43 O ATOM 527 OE2 GLU A 33 2.212 -13.859 -2.491 1.00 2.58 O ATOM 0 H GLU A 33 2.747 -9.660 -5.849 1.00 0.93 H new ATOM 0 HA GLU A 33 0.621 -10.531 -4.058 1.00 0.88 H new ATOM 0 HB2 GLU A 33 3.186 -11.243 -4.324 1.00 0.93 H new ATOM 0 HB3 GLU A 33 3.445 -9.883 -3.250 1.00 0.93 H new ATOM 0 HG2 GLU A 33 3.193 -11.707 -1.778 1.00 1.20 H new ATOM 0 HG3 GLU A 33 1.625 -10.926 -1.737 1.00 1.20 H new ATOM 534 N LEU A 34 1.769 -7.476 -3.898 1.00 0.72 N ATOM 535 CA LEU A 34 1.424 -6.137 -3.427 1.00 0.69 C ATOM 536 C LEU A 34 -0.070 -5.823 -3.615 1.00 0.66 C ATOM 537 O LEU A 34 -0.717 -5.254 -2.735 1.00 0.65 O ATOM 538 CB LEU A 34 2.270 -5.119 -4.205 1.00 0.78 C ATOM 539 CG LEU A 34 2.454 -3.830 -3.389 1.00 0.89 C ATOM 540 CD1 LEU A 34 3.684 -4.016 -2.494 1.00 1.82 C ATOM 541 CD2 LEU A 34 2.593 -2.590 -4.277 1.00 1.04 C ATOM 0 H LEU A 34 2.527 -7.484 -4.581 1.00 0.72 H new ATOM 0 HA LEU A 34 1.631 -6.081 -2.358 1.00 0.69 H new ATOM 0 HB2 LEU A 34 3.244 -5.550 -4.438 1.00 0.78 H new ATOM 0 HB3 LEU A 34 1.788 -4.888 -5.155 1.00 0.78 H new ATOM 0 HG LEU A 34 1.565 -3.657 -2.783 1.00 0.89 H new ATOM 0 HD11 LEU A 34 3.842 -3.115 -1.900 1.00 1.82 H new ATOM 0 HD12 LEU A 34 3.525 -4.865 -1.830 1.00 1.82 H new ATOM 0 HD13 LEU A 34 4.561 -4.200 -3.115 1.00 1.82 H new ATOM 0 HD21 LEU A 34 2.721 -1.707 -3.651 1.00 1.04 H new ATOM 0 HD22 LEU A 34 3.461 -2.703 -4.926 1.00 1.04 H new ATOM 0 HD23 LEU A 34 1.696 -2.476 -4.886 1.00 1.04 H new ATOM 553 N LYS A 35 -0.631 -6.242 -4.757 1.00 0.73 N ATOM 554 CA LYS A 35 -2.039 -6.076 -5.116 1.00 0.86 C ATOM 555 C LYS A 35 -2.948 -6.767 -4.104 1.00 0.81 C ATOM 556 O LYS A 35 -4.047 -6.288 -3.831 1.00 0.93 O ATOM 557 CB LYS A 35 -2.203 -6.662 -6.535 1.00 1.11 C ATOM 558 CG LYS A 35 -3.634 -6.710 -7.100 1.00 1.29 C ATOM 559 CD LYS A 35 -4.322 -8.097 -7.104 1.00 1.83 C ATOM 560 CE LYS A 35 -5.161 -8.373 -5.845 1.00 3.13 C ATOM 561 NZ LYS A 35 -5.660 -9.770 -5.779 1.00 4.41 N ATOM 0 H LYS A 35 -0.095 -6.722 -5.480 1.00 0.73 H new ATOM 0 HA LYS A 35 -2.329 -5.025 -5.105 1.00 0.86 H new ATOM 0 HB2 LYS A 35 -1.587 -6.078 -7.218 1.00 1.11 H new ATOM 0 HB3 LYS A 35 -1.803 -7.676 -6.533 1.00 1.11 H new ATOM 0 HG2 LYS A 35 -4.253 -6.022 -6.524 1.00 1.29 H new ATOM 0 HG3 LYS A 35 -3.611 -6.336 -8.124 1.00 1.29 H new ATOM 0 HD2 LYS A 35 -4.964 -8.172 -7.982 1.00 1.83 H new ATOM 0 HD3 LYS A 35 -3.560 -8.871 -7.199 1.00 1.83 H new ATOM 0 HE2 LYS A 35 -4.559 -8.165 -4.960 1.00 3.13 H new ATOM 0 HE3 LYS A 35 -6.009 -7.688 -5.822 1.00 3.13 H new ATOM 0 HZ1 LYS A 35 -6.040 -9.958 -4.829 1.00 4.41 H new ATOM 0 HZ2 LYS A 35 -6.411 -9.904 -6.485 1.00 4.41 H new ATOM 0 HZ3 LYS A 35 -4.879 -10.427 -5.976 1.00 4.41 H new ATOM 575 N GLU A 36 -2.491 -7.910 -3.585 1.00 0.76 N ATOM 576 CA GLU A 36 -3.146 -8.642 -2.525 1.00 0.84 C ATOM 577 C GLU A 36 -3.063 -7.802 -1.252 1.00 0.80 C ATOM 578 O GLU A 36 -4.075 -7.251 -0.835 1.00 1.03 O ATOM 579 CB GLU A 36 -2.476 -10.026 -2.402 1.00 1.10 C ATOM 580 CG GLU A 36 -3.495 -11.155 -2.216 1.00 1.17 C ATOM 581 CD GLU A 36 -4.372 -11.258 -3.460 1.00 1.72 C ATOM 582 OE1 GLU A 36 -3.815 -11.446 -4.567 1.00 3.00 O ATOM 583 OE2 GLU A 36 -5.588 -10.987 -3.377 1.00 1.85 O ATOM 0 H GLU A 36 -1.631 -8.354 -3.907 1.00 0.76 H new ATOM 0 HA GLU A 36 -4.202 -8.821 -2.726 1.00 0.84 H new ATOM 0 HB2 GLU A 36 -1.882 -10.220 -3.295 1.00 1.10 H new ATOM 0 HB3 GLU A 36 -1.787 -10.019 -1.557 1.00 1.10 H new ATOM 0 HG2 GLU A 36 -2.980 -12.100 -2.042 1.00 1.17 H new ATOM 0 HG3 GLU A 36 -4.112 -10.962 -1.338 1.00 1.17 H new ATOM 590 N LEU A 37 -1.854 -7.613 -0.713 1.00 0.76 N ATOM 591 CA LEU A 37 -1.535 -6.904 0.530 1.00 0.84 C ATOM 592 C LEU A 37 -2.371 -5.629 0.723 1.00 0.90 C ATOM 593 O LEU A 37 -3.078 -5.497 1.726 1.00 0.95 O ATOM 594 CB LEU A 37 -0.012 -6.654 0.473 1.00 0.88 C ATOM 595 CG LEU A 37 0.610 -5.637 1.448 1.00 1.04 C ATOM 596 CD1 LEU A 37 0.255 -5.864 2.918 1.00 1.08 C ATOM 597 CD2 LEU A 37 2.136 -5.699 1.264 1.00 1.66 C ATOM 0 H LEU A 37 -1.015 -7.977 -1.165 1.00 0.76 H new ATOM 0 HA LEU A 37 -1.795 -7.493 1.410 1.00 0.84 H new ATOM 0 HB2 LEU A 37 0.486 -7.611 0.632 1.00 0.88 H new ATOM 0 HB3 LEU A 37 0.232 -6.332 -0.539 1.00 0.88 H new ATOM 0 HG LEU A 37 0.199 -4.657 1.207 1.00 1.04 H new ATOM 0 HD11 LEU A 37 0.736 -5.102 3.530 1.00 1.08 H new ATOM 0 HD12 LEU A 37 -0.826 -5.802 3.045 1.00 1.08 H new ATOM 0 HD13 LEU A 37 0.601 -6.850 3.228 1.00 1.08 H new ATOM 0 HD21 LEU A 37 2.613 -4.990 1.940 1.00 1.66 H new ATOM 0 HD22 LEU A 37 2.489 -6.706 1.486 1.00 1.66 H new ATOM 0 HD23 LEU A 37 2.389 -5.445 0.235 1.00 1.66 H new ATOM 609 N ILE A 38 -2.343 -4.727 -0.262 1.00 0.94 N ATOM 610 CA ILE A 38 -2.950 -3.387 -0.155 1.00 1.12 C ATOM 611 C ILE A 38 -4.475 -3.424 -0.048 1.00 1.20 C ATOM 612 O ILE A 38 -5.048 -2.547 0.588 1.00 1.47 O ATOM 613 CB ILE A 38 -2.450 -2.500 -1.316 1.00 1.15 C ATOM 614 CG1 ILE A 38 -0.925 -2.300 -1.140 1.00 1.21 C ATOM 615 CG2 ILE A 38 -3.185 -1.141 -1.378 1.00 1.31 C ATOM 616 CD1 ILE A 38 -0.296 -1.539 -2.296 1.00 1.26 C ATOM 0 H ILE A 38 -1.898 -4.902 -1.163 1.00 0.94 H new ATOM 0 HA ILE A 38 -2.624 -2.941 0.784 1.00 1.12 H new ATOM 0 HB ILE A 38 -2.663 -2.997 -2.262 1.00 1.15 H new ATOM 0 HG12 ILE A 38 -0.738 -1.761 -0.211 1.00 1.21 H new ATOM 0 HG13 ILE A 38 -0.443 -3.273 -1.046 1.00 1.21 H new ATOM 0 HG21 ILE A 38 -2.797 -0.555 -2.211 1.00 1.31 H new ATOM 0 HG22 ILE A 38 -4.252 -1.311 -1.520 1.00 1.31 H new ATOM 0 HG23 ILE A 38 -3.025 -0.598 -0.447 1.00 1.31 H new ATOM 0 HD11 ILE A 38 0.774 -1.428 -2.119 1.00 1.26 H new ATOM 0 HD12 ILE A 38 -0.456 -2.089 -3.223 1.00 1.26 H new ATOM 0 HD13 ILE A 38 -0.755 -0.553 -2.375 1.00 1.26 H new ATOM 628 N LYS A 39 -5.147 -4.422 -0.627 1.00 1.10 N ATOM 629 CA LYS A 39 -6.582 -4.642 -0.451 1.00 1.21 C ATOM 630 C LYS A 39 -6.936 -5.780 0.532 1.00 1.14 C ATOM 631 O LYS A 39 -8.112 -6.036 0.782 1.00 1.25 O ATOM 632 CB LYS A 39 -7.181 -4.865 -1.847 1.00 1.38 C ATOM 633 CG LYS A 39 -7.573 -3.572 -2.582 1.00 1.78 C ATOM 634 CD LYS A 39 -8.488 -2.607 -1.800 1.00 2.36 C ATOM 635 CE LYS A 39 -9.655 -3.304 -1.085 1.00 2.71 C ATOM 636 NZ LYS A 39 -10.581 -2.324 -0.469 1.00 3.79 N ATOM 0 H LYS A 39 -4.703 -5.107 -1.238 1.00 1.10 H new ATOM 0 HA LYS A 39 -7.018 -3.762 0.022 1.00 1.21 H new ATOM 0 HB2 LYS A 39 -6.460 -5.411 -2.456 1.00 1.38 H new ATOM 0 HB3 LYS A 39 -8.064 -5.498 -1.754 1.00 1.38 H new ATOM 0 HG2 LYS A 39 -6.661 -3.039 -2.852 1.00 1.78 H new ATOM 0 HG3 LYS A 39 -8.072 -3.842 -3.513 1.00 1.78 H new ATOM 0 HD2 LYS A 39 -7.890 -2.071 -1.063 1.00 2.36 H new ATOM 0 HD3 LYS A 39 -8.888 -1.862 -2.488 1.00 2.36 H new ATOM 0 HE2 LYS A 39 -10.201 -3.923 -1.797 1.00 2.71 H new ATOM 0 HE3 LYS A 39 -9.265 -3.971 -0.316 1.00 2.71 H new ATOM 0 HZ1 LYS A 39 -11.191 -2.808 0.221 1.00 3.79 H new ATOM 0 HZ2 LYS A 39 -10.032 -1.584 0.014 1.00 3.79 H new ATOM 0 HZ3 LYS A 39 -11.171 -1.891 -1.208 1.00 3.79 H new ATOM 650 N LYS A 40 -5.939 -6.482 1.077 1.00 1.08 N ATOM 651 CA LYS A 40 -6.096 -7.563 2.051 1.00 1.16 C ATOM 652 C LYS A 40 -6.120 -7.051 3.481 1.00 1.09 C ATOM 653 O LYS A 40 -7.037 -7.363 4.237 1.00 1.26 O ATOM 654 CB LYS A 40 -4.902 -8.540 1.919 1.00 1.34 C ATOM 655 CG LYS A 40 -5.094 -9.662 0.898 1.00 1.62 C ATOM 656 CD LYS A 40 -6.215 -10.609 1.299 1.00 1.20 C ATOM 657 CE LYS A 40 -5.922 -11.372 2.596 1.00 2.89 C ATOM 658 NZ LYS A 40 -7.172 -11.850 3.228 1.00 4.26 N ATOM 0 H LYS A 40 -4.962 -6.305 0.842 1.00 1.08 H new ATOM 0 HA LYS A 40 -7.047 -8.053 1.841 1.00 1.16 H new ATOM 0 HB2 LYS A 40 -4.014 -7.970 1.647 1.00 1.34 H new ATOM 0 HB3 LYS A 40 -4.708 -8.986 2.894 1.00 1.34 H new ATOM 0 HG2 LYS A 40 -5.315 -9.230 -0.078 1.00 1.62 H new ATOM 0 HG3 LYS A 40 -4.165 -10.222 0.796 1.00 1.62 H new ATOM 0 HD2 LYS A 40 -7.137 -10.041 1.419 1.00 1.20 H new ATOM 0 HD3 LYS A 40 -6.384 -11.324 0.494 1.00 1.20 H new ATOM 0 HE2 LYS A 40 -5.271 -12.220 2.383 1.00 2.89 H new ATOM 0 HE3 LYS A 40 -5.385 -10.724 3.289 1.00 2.89 H new ATOM 0 HZ1 LYS A 40 -6.944 -12.363 4.104 1.00 4.26 H new ATOM 0 HZ2 LYS A 40 -7.781 -11.037 3.451 1.00 4.26 H new ATOM 0 HZ3 LYS A 40 -7.670 -12.487 2.574 1.00 4.26 H new ATOM 672 N GLU A 41 -5.054 -6.341 3.815 1.00 1.02 N ATOM 673 CA GLU A 41 -4.777 -5.783 5.139 1.00 1.14 C ATOM 674 C GLU A 41 -5.385 -4.368 5.302 1.00 1.19 C ATOM 675 O GLU A 41 -5.328 -3.790 6.391 1.00 1.58 O ATOM 676 CB GLU A 41 -3.255 -5.762 5.372 1.00 1.32 C ATOM 677 CG GLU A 41 -2.480 -7.056 5.046 1.00 2.11 C ATOM 678 CD GLU A 41 -2.709 -8.221 6.010 1.00 3.50 C ATOM 679 OE1 GLU A 41 -3.585 -9.090 5.765 1.00 4.55 O ATOM 680 OE2 GLU A 41 -1.900 -8.368 6.953 1.00 4.37 O ATOM 0 H GLU A 41 -4.320 -6.125 3.141 1.00 1.02 H new ATOM 0 HA GLU A 41 -5.248 -6.416 5.891 1.00 1.14 H new ATOM 0 HB2 GLU A 41 -2.832 -4.954 4.775 1.00 1.32 H new ATOM 0 HB3 GLU A 41 -3.076 -5.514 6.418 1.00 1.32 H new ATOM 0 HG2 GLU A 41 -2.753 -7.379 4.042 1.00 2.11 H new ATOM 0 HG3 GLU A 41 -1.415 -6.826 5.028 1.00 2.11 H new ATOM 687 N LEU A 42 -5.977 -3.807 4.233 1.00 1.04 N ATOM 688 CA LEU A 42 -6.641 -2.506 4.205 1.00 1.08 C ATOM 689 C LEU A 42 -8.001 -2.584 3.485 1.00 1.09 C ATOM 690 O LEU A 42 -8.106 -3.084 2.362 1.00 1.40 O ATOM 691 CB LEU A 42 -5.715 -1.489 3.502 1.00 1.19 C ATOM 692 CG LEU A 42 -5.710 -0.088 4.122 1.00 1.16 C ATOM 693 CD1 LEU A 42 -4.599 0.763 3.495 1.00 1.83 C ATOM 694 CD2 LEU A 42 -7.041 0.657 3.960 1.00 1.68 C ATOM 0 H LEU A 42 -6.003 -4.275 3.327 1.00 1.04 H new ATOM 0 HA LEU A 42 -6.835 -2.186 5.229 1.00 1.08 H new ATOM 0 HB2 LEU A 42 -4.697 -1.879 3.512 1.00 1.19 H new ATOM 0 HB3 LEU A 42 -6.015 -1.407 2.457 1.00 1.19 H new ATOM 0 HG LEU A 42 -5.540 -0.234 5.189 1.00 1.16 H new ATOM 0 HD11 LEU A 42 -4.605 1.757 3.943 1.00 1.83 H new ATOM 0 HD12 LEU A 42 -3.633 0.290 3.674 1.00 1.83 H new ATOM 0 HD13 LEU A 42 -4.768 0.848 2.422 1.00 1.83 H new ATOM 0 HD21 LEU A 42 -6.966 1.641 4.422 1.00 1.68 H new ATOM 0 HD22 LEU A 42 -7.268 0.770 2.900 1.00 1.68 H new ATOM 0 HD23 LEU A 42 -7.837 0.090 4.443 1.00 1.68 H new ATOM 706 N CYS A 43 -9.026 -1.992 4.095 1.00 1.30 N ATOM 707 CA CYS A 43 -10.230 -1.535 3.401 1.00 1.66 C ATOM 708 C CYS A 43 -10.690 -0.200 3.977 1.00 2.54 C ATOM 709 O CYS A 43 -10.681 0.000 5.191 1.00 3.90 O ATOM 710 CB CYS A 43 -11.351 -2.579 3.517 1.00 1.79 C ATOM 711 SG CYS A 43 -12.490 -2.437 2.112 1.00 2.72 S ATOM 0 H CYS A 43 -9.045 -1.813 5.099 1.00 1.30 H new ATOM 0 HA CYS A 43 -9.993 -1.402 2.345 1.00 1.66 H new ATOM 0 HB2 CYS A 43 -10.923 -3.581 3.547 1.00 1.79 H new ATOM 0 HB3 CYS A 43 -11.895 -2.437 4.451 1.00 1.79 H new ATOM 0 HG CYS A 43 -12.142 -1.427 1.372 1.00 2.72 H new ATOM 717 N LEU A 44 -11.161 0.666 3.089 1.00 2.50 N ATOM 718 CA LEU A 44 -12.117 1.699 3.405 1.00 3.42 C ATOM 719 C LEU A 44 -13.467 0.951 3.419 1.00 4.27 C ATOM 720 O LEU A 44 -13.716 0.138 4.302 1.00 5.61 O ATOM 721 CB LEU A 44 -11.970 2.827 2.358 1.00 3.78 C ATOM 722 CG LEU A 44 -10.601 3.549 2.261 1.00 3.26 C ATOM 723 CD1 LEU A 44 -9.392 2.698 1.837 1.00 2.98 C ATOM 724 CD2 LEU A 44 -10.725 4.656 1.205 1.00 3.79 C ATOM 0 H LEU A 44 -10.878 0.663 2.109 1.00 2.50 H new ATOM 0 HA LEU A 44 -11.991 2.207 4.361 1.00 3.42 H new ATOM 0 HB2 LEU A 44 -12.197 2.406 1.378 1.00 3.78 H new ATOM 0 HB3 LEU A 44 -12.731 3.579 2.566 1.00 3.78 H new ATOM 0 HG LEU A 44 -10.401 3.885 3.278 1.00 3.26 H new ATOM 0 HD11 LEU A 44 -8.499 3.323 1.809 1.00 2.98 H new ATOM 0 HD12 LEU A 44 -9.247 1.890 2.554 1.00 2.98 H new ATOM 0 HD13 LEU A 44 -9.572 2.278 0.848 1.00 2.98 H new ATOM 0 HD21 LEU A 44 -9.774 5.182 1.116 1.00 3.79 H new ATOM 0 HD22 LEU A 44 -10.987 4.214 0.244 1.00 3.79 H new ATOM 0 HD23 LEU A 44 -11.502 5.359 1.505 1.00 3.79 H new ATOM 736 N GLY A 45 -14.280 1.112 2.383 1.00 4.12 N ATOM 737 CA GLY A 45 -15.564 0.417 2.172 1.00 4.79 C ATOM 738 C GLY A 45 -16.779 1.214 2.648 1.00 5.44 C ATOM 739 O GLY A 45 -17.912 0.801 2.420 1.00 6.36 O ATOM 0 H GLY A 45 -14.061 1.759 1.626 1.00 4.12 H new ATOM 0 HA2 GLY A 45 -15.678 0.197 1.111 1.00 4.79 H new ATOM 0 HA3 GLY A 45 -15.540 -0.539 2.695 1.00 4.79 H new ATOM 742 N GLU A 46 -16.532 2.359 3.276 1.00 5.40 N ATOM 743 CA GLU A 46 -17.491 3.371 3.715 1.00 6.22 C ATOM 744 C GLU A 46 -17.163 4.761 3.121 1.00 5.61 C ATOM 745 O GLU A 46 -18.053 5.574 2.876 1.00 6.13 O ATOM 746 CB GLU A 46 -17.487 3.396 5.256 1.00 7.47 C ATOM 747 CG GLU A 46 -16.241 4.010 5.917 1.00 7.69 C ATOM 748 CD GLU A 46 -14.927 3.269 5.653 1.00 7.49 C ATOM 749 OE1 GLU A 46 -14.364 3.448 4.550 1.00 7.20 O ATOM 750 OE2 GLU A 46 -14.448 2.548 6.548 1.00 8.11 O ATOM 0 H GLU A 46 -15.576 2.627 3.511 1.00 5.40 H new ATOM 0 HA GLU A 46 -18.487 3.116 3.354 1.00 6.22 H new ATOM 0 HB2 GLU A 46 -18.363 3.950 5.593 1.00 7.47 H new ATOM 0 HB3 GLU A 46 -17.599 2.373 5.617 1.00 7.47 H new ATOM 0 HG2 GLU A 46 -16.135 5.038 5.570 1.00 7.69 H new ATOM 0 HG3 GLU A 46 -16.405 4.052 6.994 1.00 7.69 H new ATOM 757 N MET A 47 -15.882 5.032 2.856 1.00 4.73 N ATOM 758 CA MET A 47 -15.394 6.197 2.134 1.00 4.08 C ATOM 759 C MET A 47 -15.253 5.887 0.636 1.00 3.37 C ATOM 760 O MET A 47 -15.560 4.807 0.133 1.00 3.38 O ATOM 761 CB MET A 47 -14.049 6.640 2.724 1.00 3.98 C ATOM 762 CG MET A 47 -14.112 7.006 4.208 1.00 4.60 C ATOM 763 SD MET A 47 -12.505 7.488 4.876 1.00 4.49 S ATOM 764 CE MET A 47 -11.662 5.915 4.595 1.00 3.41 C ATOM 0 H MET A 47 -15.128 4.414 3.155 1.00 4.73 H new ATOM 0 HA MET A 47 -16.114 7.008 2.241 1.00 4.08 H new ATOM 0 HB2 MET A 47 -13.323 5.839 2.588 1.00 3.98 H new ATOM 0 HB3 MET A 47 -13.683 7.500 2.163 1.00 3.98 H new ATOM 0 HG2 MET A 47 -14.819 7.824 4.346 1.00 4.60 H new ATOM 0 HG3 MET A 47 -14.495 6.155 4.772 1.00 4.60 H new ATOM 0 HE1 MET A 47 -11.019 5.689 5.446 1.00 3.41 H new ATOM 0 HE2 MET A 47 -12.401 5.122 4.478 1.00 3.41 H new ATOM 0 HE3 MET A 47 -11.056 5.983 3.691 1.00 3.41 H new ATOM 774 N LYS A 48 -14.689 6.849 -0.087 1.00 3.69 N ATOM 775 CA LYS A 48 -14.297 6.722 -1.488 1.00 3.15 C ATOM 776 C LYS A 48 -13.271 5.596 -1.733 1.00 3.55 C ATOM 777 O LYS A 48 -12.088 5.771 -1.449 1.00 4.42 O ATOM 778 CB LYS A 48 -13.699 8.067 -1.948 1.00 3.74 C ATOM 779 CG LYS A 48 -14.699 9.084 -2.508 1.00 4.55 C ATOM 780 CD LYS A 48 -15.403 9.977 -1.473 1.00 5.50 C ATOM 781 CE LYS A 48 -14.503 10.841 -0.563 1.00 6.38 C ATOM 782 NZ LYS A 48 -13.740 11.908 -1.257 1.00 6.79 N ATOM 0 H LYS A 48 -14.485 7.771 0.299 1.00 3.69 H new ATOM 0 HA LYS A 48 -15.188 6.461 -2.059 1.00 3.15 H new ATOM 0 HB2 LYS A 48 -13.182 8.521 -1.103 1.00 3.74 H new ATOM 0 HB3 LYS A 48 -12.947 7.867 -2.711 1.00 3.74 H new ATOM 0 HG2 LYS A 48 -14.176 9.726 -3.216 1.00 4.55 H new ATOM 0 HG3 LYS A 48 -15.461 8.543 -3.070 1.00 4.55 H new ATOM 0 HD2 LYS A 48 -16.083 10.642 -2.006 1.00 5.50 H new ATOM 0 HD3 LYS A 48 -16.015 9.339 -0.836 1.00 5.50 H new ATOM 0 HE2 LYS A 48 -15.125 11.302 0.204 1.00 6.38 H new ATOM 0 HE3 LYS A 48 -13.798 10.187 -0.050 1.00 6.38 H new ATOM 0 HZ1 LYS A 48 -12.721 11.754 -1.115 1.00 6.79 H new ATOM 0 HZ2 LYS A 48 -13.956 11.884 -2.274 1.00 6.79 H new ATOM 0 HZ3 LYS A 48 -14.008 12.835 -0.869 1.00 6.79 H new ATOM 796 N GLU A 49 -13.685 4.528 -2.409 1.00 3.83 N ATOM 797 CA GLU A 49 -12.794 3.684 -3.216 1.00 4.43 C ATOM 798 C GLU A 49 -13.241 3.805 -4.680 1.00 3.81 C ATOM 799 O GLU A 49 -14.438 3.848 -4.957 1.00 4.46 O ATOM 800 CB GLU A 49 -12.773 2.206 -2.770 1.00 6.27 C ATOM 801 CG GLU A 49 -12.088 2.014 -1.404 1.00 7.95 C ATOM 802 CD GLU A 49 -11.689 0.565 -1.073 1.00 9.66 C ATOM 803 OE1 GLU A 49 -11.489 -0.248 -2.006 1.00 9.91 O ATOM 804 OE2 GLU A 49 -11.485 0.242 0.124 1.00 11.09 O ATOM 0 H GLU A 49 -14.656 4.217 -2.415 1.00 3.83 H new ATOM 0 HA GLU A 49 -11.771 4.036 -3.083 1.00 4.43 H new ATOM 0 HB2 GLU A 49 -13.795 1.831 -2.717 1.00 6.27 H new ATOM 0 HB3 GLU A 49 -12.254 1.610 -3.521 1.00 6.27 H new ATOM 0 HG2 GLU A 49 -11.194 2.637 -1.372 1.00 7.95 H new ATOM 0 HG3 GLU A 49 -12.758 2.377 -0.625 1.00 7.95 H new ATOM 811 N SER A 50 -12.282 3.904 -5.604 1.00 3.65 N ATOM 812 CA SER A 50 -12.406 4.069 -7.061 1.00 3.29 C ATOM 813 C SER A 50 -11.004 4.327 -7.627 1.00 2.69 C ATOM 814 O SER A 50 -10.516 3.560 -8.446 1.00 2.96 O ATOM 815 CB SER A 50 -13.330 5.235 -7.429 1.00 3.84 C ATOM 816 OG SER A 50 -14.693 4.873 -7.337 1.00 4.99 O ATOM 0 H SER A 50 -11.301 3.867 -5.327 1.00 3.65 H new ATOM 0 HA SER A 50 -12.844 3.164 -7.483 1.00 3.29 H new ATOM 0 HB2 SER A 50 -13.132 6.078 -6.767 1.00 3.84 H new ATOM 0 HB3 SER A 50 -13.110 5.567 -8.443 1.00 3.84 H new ATOM 0 HG SER A 50 -14.914 4.663 -6.405 1.00 4.99 H new ATOM 822 N SER A 51 -10.276 5.304 -7.072 1.00 3.11 N ATOM 823 CA SER A 51 -8.868 5.629 -7.371 1.00 2.76 C ATOM 824 C SER A 51 -7.859 4.528 -6.989 1.00 2.37 C ATOM 825 O SER A 51 -6.652 4.750 -7.008 1.00 2.58 O ATOM 826 CB SER A 51 -8.490 6.932 -6.648 1.00 3.01 C ATOM 827 OG SER A 51 -9.605 7.791 -6.435 1.00 3.81 O ATOM 0 H SER A 51 -10.670 5.924 -6.365 1.00 3.11 H new ATOM 0 HA SER A 51 -8.805 5.731 -8.454 1.00 2.76 H new ATOM 0 HB2 SER A 51 -8.036 6.690 -5.687 1.00 3.01 H new ATOM 0 HB3 SER A 51 -7.737 7.461 -7.233 1.00 3.01 H new ATOM 0 HG SER A 51 -9.361 8.491 -5.795 1.00 3.81 H new ATOM 833 N ILE A 52 -8.352 3.342 -6.624 1.00 2.13 N ATOM 834 CA ILE A 52 -7.562 2.111 -6.550 1.00 1.88 C ATOM 835 C ILE A 52 -7.367 1.492 -7.931 1.00 1.25 C ATOM 836 O ILE A 52 -6.359 0.835 -8.125 1.00 1.18 O ATOM 837 CB ILE A 52 -8.199 1.080 -5.578 1.00 2.44 C ATOM 838 CG1 ILE A 52 -9.645 0.637 -5.926 1.00 2.47 C ATOM 839 CG2 ILE A 52 -8.172 1.610 -4.135 1.00 3.19 C ATOM 840 CD1 ILE A 52 -9.698 -0.677 -6.714 1.00 2.71 C ATOM 0 H ILE A 52 -9.330 3.208 -6.367 1.00 2.13 H new ATOM 0 HA ILE A 52 -6.583 2.384 -6.157 1.00 1.88 H new ATOM 0 HB ILE A 52 -7.579 0.190 -5.687 1.00 2.44 H new ATOM 0 HG12 ILE A 52 -10.216 0.524 -5.004 1.00 2.47 H new ATOM 0 HG13 ILE A 52 -10.129 1.422 -6.507 1.00 2.47 H new ATOM 0 HG21 ILE A 52 -8.622 0.874 -3.469 1.00 3.19 H new ATOM 0 HG22 ILE A 52 -7.140 1.790 -3.833 1.00 3.19 H new ATOM 0 HG23 ILE A 52 -8.734 2.542 -4.079 1.00 3.19 H new ATOM 0 HD11 ILE A 52 -10.736 -0.932 -6.926 1.00 2.71 H new ATOM 0 HD12 ILE A 52 -9.154 -0.561 -7.651 1.00 2.71 H new ATOM 0 HD13 ILE A 52 -9.242 -1.473 -6.125 1.00 2.71 H new ATOM 852 N ASP A 53 -8.294 1.676 -8.874 1.00 1.07 N ATOM 853 CA ASP A 53 -8.389 0.870 -10.098 1.00 1.02 C ATOM 854 C ASP A 53 -7.323 1.246 -11.149 1.00 0.93 C ATOM 855 O ASP A 53 -6.717 0.365 -11.759 1.00 1.02 O ATOM 856 CB ASP A 53 -9.840 0.973 -10.611 1.00 1.37 C ATOM 857 CG ASP A 53 -10.172 -0.013 -11.741 1.00 2.28 C ATOM 858 OD1 ASP A 53 -9.652 -1.154 -11.700 1.00 2.62 O ATOM 859 OD2 ASP A 53 -10.993 0.360 -12.607 1.00 3.47 O ATOM 0 H ASP A 53 -9.011 2.399 -8.810 1.00 1.07 H new ATOM 0 HA ASP A 53 -8.164 -0.174 -9.879 1.00 1.02 H new ATOM 0 HB2 ASP A 53 -10.522 0.800 -9.779 1.00 1.37 H new ATOM 0 HB3 ASP A 53 -10.019 1.989 -10.964 1.00 1.37 H new ATOM 864 N ASP A 54 -6.990 2.539 -11.257 1.00 1.06 N ATOM 865 CA ASP A 54 -5.796 3.027 -11.970 1.00 1.30 C ATOM 866 C ASP A 54 -4.516 2.378 -11.413 1.00 1.03 C ATOM 867 O ASP A 54 -3.705 1.792 -12.139 1.00 1.05 O ATOM 868 CB ASP A 54 -5.727 4.559 -11.811 1.00 1.95 C ATOM 869 CG ASP A 54 -4.577 5.193 -12.613 1.00 2.55 C ATOM 870 OD1 ASP A 54 -3.406 5.020 -12.202 1.00 3.50 O ATOM 871 OD2 ASP A 54 -4.884 5.852 -13.630 1.00 3.06 O ATOM 0 H ASP A 54 -7.548 3.288 -10.847 1.00 1.06 H new ATOM 0 HA ASP A 54 -5.869 2.759 -13.024 1.00 1.30 H new ATOM 0 HB2 ASP A 54 -6.672 4.996 -12.134 1.00 1.95 H new ATOM 0 HB3 ASP A 54 -5.606 4.805 -10.756 1.00 1.95 H new ATOM 876 N LEU A 55 -4.372 2.423 -10.089 1.00 0.95 N ATOM 877 CA LEU A 55 -3.181 1.976 -9.380 1.00 0.89 C ATOM 878 C LEU A 55 -3.048 0.442 -9.440 1.00 0.80 C ATOM 879 O LEU A 55 -1.965 -0.073 -9.721 1.00 0.84 O ATOM 880 CB LEU A 55 -3.227 2.544 -7.945 1.00 0.95 C ATOM 881 CG LEU A 55 -3.407 4.073 -7.826 1.00 1.18 C ATOM 882 CD1 LEU A 55 -3.393 4.466 -6.339 1.00 1.41 C ATOM 883 CD2 LEU A 55 -2.302 4.852 -8.556 1.00 1.26 C ATOM 0 H LEU A 55 -5.099 2.780 -9.469 1.00 0.95 H new ATOM 0 HA LEU A 55 -2.278 2.356 -9.859 1.00 0.89 H new ATOM 0 HB2 LEU A 55 -4.044 2.060 -7.410 1.00 0.95 H new ATOM 0 HB3 LEU A 55 -2.304 2.266 -7.436 1.00 0.95 H new ATOM 0 HG LEU A 55 -4.358 4.329 -8.293 1.00 1.18 H new ATOM 0 HD11 LEU A 55 -3.520 5.545 -6.247 1.00 1.41 H new ATOM 0 HD12 LEU A 55 -4.207 3.959 -5.821 1.00 1.41 H new ATOM 0 HD13 LEU A 55 -2.442 4.173 -5.894 1.00 1.41 H new ATOM 0 HD21 LEU A 55 -2.475 5.922 -8.442 1.00 1.26 H new ATOM 0 HD22 LEU A 55 -1.333 4.594 -8.130 1.00 1.26 H new ATOM 0 HD23 LEU A 55 -2.314 4.594 -9.615 1.00 1.26 H new ATOM 895 N MET A 56 -4.154 -0.292 -9.274 1.00 0.79 N ATOM 896 CA MET A 56 -4.280 -1.741 -9.516 1.00 0.91 C ATOM 897 C MET A 56 -3.837 -2.105 -10.934 1.00 0.95 C ATOM 898 O MET A 56 -3.052 -3.034 -11.121 1.00 1.13 O ATOM 899 CB MET A 56 -5.751 -2.171 -9.340 1.00 1.12 C ATOM 900 CG MET A 56 -6.251 -2.232 -7.897 1.00 1.32 C ATOM 901 SD MET A 56 -5.776 -3.721 -6.992 1.00 1.93 S ATOM 902 CE MET A 56 -4.664 -2.957 -5.795 1.00 1.34 C ATOM 0 H MET A 56 -5.028 0.124 -8.953 1.00 0.79 H new ATOM 0 HA MET A 56 -3.641 -2.256 -8.799 1.00 0.91 H new ATOM 0 HB2 MET A 56 -6.383 -1.478 -9.896 1.00 1.12 H new ATOM 0 HB3 MET A 56 -5.881 -3.154 -9.793 1.00 1.12 H new ATOM 0 HG2 MET A 56 -5.874 -1.362 -7.360 1.00 1.32 H new ATOM 0 HG3 MET A 56 -7.338 -2.158 -7.901 1.00 1.32 H new ATOM 0 HE1 MET A 56 -4.273 -3.721 -5.122 1.00 1.34 H new ATOM 0 HE2 MET A 56 -3.837 -2.479 -6.320 1.00 1.34 H new ATOM 0 HE3 MET A 56 -5.208 -2.209 -5.218 1.00 1.34 H new ATOM 912 N LYS A 57 -4.296 -1.364 -11.944 1.00 0.95 N ATOM 913 CA LYS A 57 -3.885 -1.567 -13.337 1.00 1.16 C ATOM 914 C LYS A 57 -2.411 -1.200 -13.600 1.00 1.17 C ATOM 915 O LYS A 57 -1.739 -1.758 -14.467 1.00 1.38 O ATOM 916 CB LYS A 57 -4.884 -0.775 -14.203 1.00 1.38 C ATOM 917 CG LYS A 57 -4.664 -0.902 -15.712 1.00 2.39 C ATOM 918 CD LYS A 57 -4.580 -2.356 -16.184 1.00 2.94 C ATOM 919 CE LYS A 57 -5.905 -3.127 -16.025 1.00 3.16 C ATOM 920 NZ LYS A 57 -5.940 -3.985 -14.815 1.00 4.03 N ATOM 0 H LYS A 57 -4.965 -0.604 -11.820 1.00 0.95 H new ATOM 0 HA LYS A 57 -3.918 -2.625 -13.595 1.00 1.16 H new ATOM 0 HB2 LYS A 57 -5.894 -1.111 -13.967 1.00 1.38 H new ATOM 0 HB3 LYS A 57 -4.826 0.278 -13.929 1.00 1.38 H new ATOM 0 HG2 LYS A 57 -5.479 -0.402 -16.236 1.00 2.39 H new ATOM 0 HG3 LYS A 57 -3.745 -0.384 -15.984 1.00 2.39 H new ATOM 0 HD2 LYS A 57 -4.281 -2.374 -17.232 1.00 2.94 H new ATOM 0 HD3 LYS A 57 -3.800 -2.869 -15.621 1.00 2.94 H new ATOM 0 HE2 LYS A 57 -6.729 -2.415 -15.982 1.00 3.16 H new ATOM 0 HE3 LYS A 57 -6.065 -3.747 -16.907 1.00 3.16 H new ATOM 0 HZ1 LYS A 57 -6.819 -4.540 -14.809 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 -5.124 -4.629 -14.823 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 -5.902 -3.388 -13.965 1.00 4.03 H new ATOM 934 N SER A 58 -1.888 -0.274 -12.819 1.00 1.07 N ATOM 935 CA SER A 58 -0.471 0.087 -12.788 1.00 1.17 C ATOM 936 C SER A 58 0.416 -1.018 -12.182 1.00 1.11 C ATOM 937 O SER A 58 1.480 -1.282 -12.744 1.00 1.26 O ATOM 938 CB SER A 58 -0.280 1.437 -12.097 1.00 1.26 C ATOM 939 OG SER A 58 0.910 2.043 -12.571 1.00 1.85 O ATOM 0 H SER A 58 -2.451 0.269 -12.165 1.00 1.07 H new ATOM 0 HA SER A 58 -0.135 0.188 -13.820 1.00 1.17 H new ATOM 0 HB2 SER A 58 -1.135 2.084 -12.295 1.00 1.26 H new ATOM 0 HB3 SER A 58 -0.227 1.301 -11.017 1.00 1.26 H new ATOM 0 HG SER A 58 1.034 2.910 -12.130 1.00 1.85 H new ATOM 945 N LEU A 59 -0.034 -1.720 -11.124 1.00 1.02 N ATOM 946 CA LEU A 59 0.591 -2.960 -10.621 1.00 1.05 C ATOM 947 C LEU A 59 0.572 -4.059 -11.680 1.00 1.10 C ATOM 948 O LEU A 59 1.629 -4.607 -12.007 1.00 1.20 O ATOM 949 CB LEU A 59 -0.072 -3.476 -9.328 1.00 1.09 C ATOM 950 CG LEU A 59 0.031 -2.539 -8.115 1.00 1.20 C ATOM 951 CD1 LEU A 59 -0.551 -3.236 -6.878 1.00 1.41 C ATOM 952 CD2 LEU A 59 1.472 -2.083 -7.840 1.00 1.39 C ATOM 0 H LEU A 59 -0.854 -1.438 -10.587 1.00 1.02 H new ATOM 0 HA LEU A 59 1.624 -2.703 -10.387 1.00 1.05 H new ATOM 0 HB2 LEU A 59 -1.126 -3.665 -9.531 1.00 1.09 H new ATOM 0 HB3 LEU A 59 0.379 -4.433 -9.066 1.00 1.09 H new ATOM 0 HG LEU A 59 -0.544 -1.642 -8.344 1.00 1.20 H new ATOM 0 HD11 LEU A 59 -0.478 -2.571 -6.017 1.00 1.41 H new ATOM 0 HD12 LEU A 59 -1.597 -3.483 -7.058 1.00 1.41 H new ATOM 0 HD13 LEU A 59 0.008 -4.150 -6.679 1.00 1.41 H new ATOM 0 HD21 LEU A 59 1.486 -1.423 -6.972 1.00 1.39 H new ATOM 0 HD22 LEU A 59 2.098 -2.954 -7.644 1.00 1.39 H new ATOM 0 HD23 LEU A 59 1.856 -1.548 -8.709 1.00 1.39 H new ATOM 964 N ASP A 60 -0.624 -4.334 -12.210 1.00 1.14 N ATOM 965 CA ASP A 60 -0.929 -5.351 -13.223 1.00 1.30 C ATOM 966 C ASP A 60 0.128 -5.393 -14.338 1.00 1.33 C ATOM 967 O ASP A 60 0.710 -6.439 -14.632 1.00 1.71 O ATOM 968 CB ASP A 60 -2.341 -5.065 -13.764 1.00 1.74 C ATOM 969 CG ASP A 60 -2.887 -6.113 -14.733 1.00 2.76 C ATOM 970 OD1 ASP A 60 -2.324 -7.217 -14.814 1.00 3.14 O ATOM 971 OD2 ASP A 60 -3.923 -5.766 -15.357 1.00 3.99 O ATOM 0 H ASP A 60 -1.458 -3.820 -11.925 1.00 1.14 H new ATOM 0 HA ASP A 60 -0.903 -6.343 -12.772 1.00 1.30 H new ATOM 0 HB2 ASP A 60 -3.026 -4.980 -12.921 1.00 1.74 H new ATOM 0 HB3 ASP A 60 -2.332 -4.098 -14.266 1.00 1.74 H new ATOM 976 N LYS A 61 0.488 -4.218 -14.865 1.00 1.29 N ATOM 977 CA LYS A 61 1.486 -4.023 -15.915 1.00 1.50 C ATOM 978 C LYS A 61 2.852 -4.707 -15.683 1.00 1.68 C ATOM 979 O LYS A 61 3.535 -4.976 -16.669 1.00 2.09 O ATOM 980 CB LYS A 61 1.629 -2.493 -16.091 1.00 1.53 C ATOM 981 CG LYS A 61 2.526 -2.046 -17.255 1.00 2.32 C ATOM 982 CD LYS A 61 2.075 -2.585 -18.624 1.00 2.98 C ATOM 983 CE LYS A 61 0.710 -2.050 -19.083 1.00 3.36 C ATOM 984 NZ LYS A 61 0.756 -0.602 -19.411 1.00 4.14 N ATOM 0 H LYS A 61 0.072 -3.340 -14.556 1.00 1.29 H new ATOM 0 HA LYS A 61 1.134 -4.518 -16.820 1.00 1.50 H new ATOM 0 HB2 LYS A 61 0.636 -2.066 -16.235 1.00 1.53 H new ATOM 0 HB3 LYS A 61 2.026 -2.073 -15.167 1.00 1.53 H new ATOM 0 HG2 LYS A 61 2.544 -0.957 -17.291 1.00 2.32 H new ATOM 0 HG3 LYS A 61 3.547 -2.375 -17.063 1.00 2.32 H new ATOM 0 HD2 LYS A 61 2.826 -2.326 -19.371 1.00 2.98 H new ATOM 0 HD3 LYS A 61 2.032 -3.673 -18.579 1.00 2.98 H new ATOM 0 HE2 LYS A 61 0.378 -2.609 -19.958 1.00 3.36 H new ATOM 0 HE3 LYS A 61 -0.027 -2.220 -18.298 1.00 3.36 H new ATOM 0 HZ1 LYS A 61 -0.186 -0.285 -19.716 1.00 4.14 H new ATOM 0 HZ2 LYS A 61 1.047 -0.065 -18.570 1.00 4.14 H new ATOM 0 HZ3 LYS A 61 1.440 -0.441 -20.178 1.00 4.14 H new ATOM 998 N ASN A 62 3.257 -4.982 -14.438 1.00 1.58 N ATOM 999 CA ASN A 62 4.569 -5.574 -14.108 1.00 1.99 C ATOM 1000 C ASN A 62 4.504 -6.708 -13.056 1.00 1.93 C ATOM 1001 O ASN A 62 5.530 -7.096 -12.503 1.00 2.97 O ATOM 1002 CB ASN A 62 5.523 -4.449 -13.677 1.00 2.35 C ATOM 1003 CG ASN A 62 5.806 -3.444 -14.783 1.00 2.61 C ATOM 1004 OD1 ASN A 62 6.410 -3.754 -15.799 1.00 2.56 O ATOM 1005 ND2 ASN A 62 5.347 -2.219 -14.619 1.00 4.02 N ATOM 0 H ASN A 62 2.679 -4.799 -13.617 1.00 1.58 H new ATOM 0 HA ASN A 62 4.947 -6.062 -15.006 1.00 1.99 H new ATOM 0 HB2 ASN A 62 5.095 -3.927 -12.822 1.00 2.35 H new ATOM 0 HB3 ASN A 62 6.464 -4.887 -13.344 1.00 2.35 H new ATOM 0 HD21 ASN A 62 5.495 -1.518 -15.345 1.00 4.02 H new ATOM 0 HD22 ASN A 62 4.844 -1.973 -13.766 1.00 4.02 H new ATOM 1012 N SER A 63 3.313 -7.241 -12.790 1.00 1.20 N ATOM 1013 CA SER A 63 2.935 -8.237 -11.771 1.00 1.19 C ATOM 1014 C SER A 63 3.897 -9.392 -11.445 1.00 1.04 C ATOM 1015 O SER A 63 3.841 -9.905 -10.333 1.00 1.24 O ATOM 1016 CB SER A 63 1.624 -8.916 -12.181 1.00 1.42 C ATOM 1017 OG SER A 63 0.576 -8.005 -12.412 1.00 2.33 O ATOM 0 H SER A 63 2.499 -6.961 -13.337 1.00 1.20 H new ATOM 0 HA SER A 63 2.904 -7.616 -10.876 1.00 1.19 H new ATOM 0 HB2 SER A 63 1.793 -9.502 -13.084 1.00 1.42 H new ATOM 0 HB3 SER A 63 1.324 -9.614 -11.400 1.00 1.42 H new ATOM 0 HG SER A 63 0.675 -7.612 -13.304 1.00 2.33 H new ATOM 1023 N ASP A 64 4.767 -9.828 -12.352 1.00 0.99 N ATOM 1024 CA ASP A 64 5.619 -11.013 -12.161 1.00 1.12 C ATOM 1025 C ASP A 64 6.909 -10.642 -11.409 1.00 1.01 C ATOM 1026 O ASP A 64 7.540 -11.444 -10.723 1.00 1.60 O ATOM 1027 CB ASP A 64 5.932 -11.545 -13.570 1.00 1.73 C ATOM 1028 CG ASP A 64 6.781 -12.817 -13.581 1.00 3.46 C ATOM 1029 OD1 ASP A 64 6.335 -13.809 -12.964 1.00 4.00 O ATOM 1030 OD2 ASP A 64 7.829 -12.785 -14.263 1.00 5.13 O ATOM 0 H ASP A 64 4.907 -9.368 -13.252 1.00 0.99 H new ATOM 0 HA ASP A 64 5.118 -11.771 -11.558 1.00 1.12 H new ATOM 0 HB2 ASP A 64 4.994 -11.742 -14.089 1.00 1.73 H new ATOM 0 HB3 ASP A 64 6.451 -10.769 -14.133 1.00 1.73 H new ATOM 1035 N GLN A 65 7.264 -9.366 -11.539 1.00 0.95 N ATOM 1036 CA GLN A 65 8.562 -8.812 -11.215 1.00 0.95 C ATOM 1037 C GLN A 65 8.658 -8.458 -9.737 1.00 0.87 C ATOM 1038 O GLN A 65 7.636 -8.229 -9.090 1.00 0.85 O ATOM 1039 CB GLN A 65 8.720 -7.521 -12.015 1.00 1.09 C ATOM 1040 CG GLN A 65 8.709 -7.701 -13.546 1.00 1.74 C ATOM 1041 CD GLN A 65 8.536 -6.364 -14.263 1.00 2.02 C ATOM 1042 OE1 GLN A 65 8.991 -5.324 -13.819 1.00 2.55 O ATOM 1043 NE2 GLN A 65 7.827 -6.317 -15.373 1.00 3.13 N ATOM 0 H GLN A 65 6.617 -8.661 -11.891 1.00 0.95 H new ATOM 0 HA GLN A 65 9.333 -9.546 -11.450 1.00 0.95 H new ATOM 0 HB2 GLN A 65 7.916 -6.839 -11.738 1.00 1.09 H new ATOM 0 HB3 GLN A 65 9.657 -7.044 -11.726 1.00 1.09 H new ATOM 0 HG2 GLN A 65 9.640 -8.169 -13.866 1.00 1.74 H new ATOM 0 HG3 GLN A 65 7.900 -8.375 -13.829 1.00 1.74 H new ATOM 0 HE21 GLN A 65 7.435 -7.174 -15.765 1.00 3.13 H new ATOM 0 HE22 GLN A 65 7.670 -5.424 -15.840 1.00 3.13 H new ATOM 1052 N GLU A 66 9.875 -8.323 -9.215 1.00 0.92 N ATOM 1053 CA GLU A 66 10.073 -7.964 -7.818 1.00 0.92 C ATOM 1054 C GLU A 66 10.001 -6.448 -7.596 1.00 0.94 C ATOM 1055 O GLU A 66 10.495 -5.658 -8.401 1.00 1.09 O ATOM 1056 CB GLU A 66 11.394 -8.550 -7.294 1.00 1.02 C ATOM 1057 CG GLU A 66 11.395 -10.084 -7.349 1.00 1.17 C ATOM 1058 CD GLU A 66 12.776 -10.639 -7.024 1.00 1.71 C ATOM 1059 OE1 GLU A 66 13.666 -10.483 -7.891 1.00 3.02 O ATOM 1060 OE2 GLU A 66 12.926 -11.207 -5.921 1.00 1.95 O ATOM 0 H GLU A 66 10.738 -8.458 -9.741 1.00 0.92 H new ATOM 0 HA GLU A 66 9.255 -8.400 -7.245 1.00 0.92 H new ATOM 0 HB2 GLU A 66 12.224 -8.164 -7.886 1.00 1.02 H new ATOM 0 HB3 GLU A 66 11.556 -8.222 -6.267 1.00 1.02 H new ATOM 0 HG2 GLU A 66 10.665 -10.478 -6.642 1.00 1.17 H new ATOM 0 HG3 GLU A 66 11.089 -10.416 -8.341 1.00 1.17 H new ATOM 1067 N ILE A 67 9.401 -6.048 -6.471 1.00 0.86 N ATOM 1068 CA ILE A 67 9.396 -4.676 -5.948 1.00 0.88 C ATOM 1069 C ILE A 67 9.794 -4.597 -4.478 1.00 0.74 C ATOM 1070 O ILE A 67 9.693 -5.559 -3.719 1.00 0.75 O ATOM 1071 CB ILE A 67 8.032 -3.965 -6.112 1.00 1.06 C ATOM 1072 CG1 ILE A 67 6.809 -4.897 -6.089 1.00 1.25 C ATOM 1073 CG2 ILE A 67 8.083 -3.098 -7.366 1.00 1.98 C ATOM 1074 CD1 ILE A 67 5.503 -4.107 -5.995 1.00 1.47 C ATOM 0 H ILE A 67 8.885 -6.695 -5.875 1.00 0.86 H new ATOM 0 HA ILE A 67 10.143 -4.164 -6.555 1.00 0.88 H new ATOM 0 HB ILE A 67 7.881 -3.340 -5.231 1.00 1.06 H new ATOM 0 HG12 ILE A 67 6.800 -5.510 -6.990 1.00 1.25 H new ATOM 0 HG13 ILE A 67 6.885 -5.578 -5.241 1.00 1.25 H new ATOM 0 HG21 ILE A 67 7.128 -2.589 -7.496 1.00 1.98 H new ATOM 0 HG22 ILE A 67 8.877 -2.358 -7.265 1.00 1.98 H new ATOM 0 HG23 ILE A 67 8.281 -3.726 -8.235 1.00 1.98 H new ATOM 0 HD11 ILE A 67 4.660 -4.798 -5.981 1.00 1.47 H new ATOM 0 HD12 ILE A 67 5.501 -3.514 -5.080 1.00 1.47 H new ATOM 0 HD13 ILE A 67 5.415 -3.445 -6.857 1.00 1.47 H new ATOM 1086 N ASP A 68 10.215 -3.395 -4.088 1.00 0.72 N ATOM 1087 CA ASP A 68 10.615 -3.018 -2.742 1.00 0.72 C ATOM 1088 C ASP A 68 9.515 -2.276 -1.964 1.00 0.71 C ATOM 1089 O ASP A 68 8.427 -1.944 -2.451 1.00 1.01 O ATOM 1090 CB ASP A 68 11.927 -2.193 -2.820 1.00 0.89 C ATOM 1091 CG ASP A 68 11.772 -0.696 -3.166 1.00 1.14 C ATOM 1092 OD1 ASP A 68 10.728 -0.303 -3.741 1.00 2.54 O ATOM 1093 OD2 ASP A 68 12.687 0.076 -2.792 1.00 1.74 O ATOM 0 H ASP A 68 10.289 -2.617 -4.744 1.00 0.72 H new ATOM 0 HA ASP A 68 10.790 -3.931 -2.173 1.00 0.72 H new ATOM 0 HB2 ASP A 68 12.439 -2.272 -1.861 1.00 0.89 H new ATOM 0 HB3 ASP A 68 12.576 -2.652 -3.566 1.00 0.89 H new ATOM 1098 N PHE A 69 9.884 -1.943 -0.730 1.00 0.65 N ATOM 1099 CA PHE A 69 9.101 -1.186 0.236 1.00 0.64 C ATOM 1100 C PHE A 69 8.766 0.257 -0.221 1.00 0.64 C ATOM 1101 O PHE A 69 8.036 0.958 0.479 1.00 0.67 O ATOM 1102 CB PHE A 69 9.935 -1.232 1.532 1.00 0.75 C ATOM 1103 CG PHE A 69 9.219 -0.876 2.819 1.00 1.06 C ATOM 1104 CD1 PHE A 69 8.089 -1.617 3.220 1.00 1.98 C ATOM 1105 CD2 PHE A 69 9.719 0.135 3.656 1.00 2.59 C ATOM 1106 CE1 PHE A 69 7.426 -1.299 4.414 1.00 2.62 C ATOM 1107 CE2 PHE A 69 9.038 0.471 4.839 1.00 3.21 C ATOM 1108 CZ PHE A 69 7.884 -0.234 5.209 1.00 2.78 C ATOM 0 H PHE A 69 10.794 -2.212 -0.357 1.00 0.65 H new ATOM 0 HA PHE A 69 8.112 -1.623 0.371 1.00 0.64 H new ATOM 0 HB2 PHE A 69 10.343 -2.237 1.637 1.00 0.75 H new ATOM 0 HB3 PHE A 69 10.781 -0.555 1.416 1.00 0.75 H new ATOM 0 HD1 PHE A 69 7.733 -2.431 2.606 1.00 1.98 H new ATOM 0 HD2 PHE A 69 10.628 0.655 3.390 1.00 2.59 H new ATOM 0 HE1 PHE A 69 6.564 -1.872 4.723 1.00 2.62 H new ATOM 0 HE2 PHE A 69 9.404 1.273 5.463 1.00 3.21 H new ATOM 0 HZ PHE A 69 7.347 0.041 6.105 1.00 2.78 H new ATOM 1118 N LYS A 70 9.272 0.742 -1.370 1.00 0.79 N ATOM 1119 CA LYS A 70 9.295 2.166 -1.734 1.00 0.72 C ATOM 1120 C LYS A 70 8.262 2.487 -2.804 1.00 0.82 C ATOM 1121 O LYS A 70 7.469 3.410 -2.604 1.00 0.82 O ATOM 1122 CB LYS A 70 10.709 2.486 -2.212 1.00 0.72 C ATOM 1123 CG LYS A 70 11.126 3.956 -2.086 1.00 1.19 C ATOM 1124 CD LYS A 70 12.551 4.148 -2.631 1.00 1.68 C ATOM 1125 CE LYS A 70 13.578 3.289 -1.868 1.00 2.63 C ATOM 1126 NZ LYS A 70 14.977 3.535 -2.287 1.00 3.64 N ATOM 0 H LYS A 70 9.684 0.141 -2.084 1.00 0.79 H new ATOM 0 HA LYS A 70 9.035 2.781 -0.872 1.00 0.72 H new ATOM 0 HB2 LYS A 70 11.413 1.876 -1.646 1.00 0.72 H new ATOM 0 HB3 LYS A 70 10.798 2.189 -3.257 1.00 0.72 H new ATOM 0 HG2 LYS A 70 10.429 4.588 -2.636 1.00 1.19 H new ATOM 0 HG3 LYS A 70 11.082 4.267 -1.042 1.00 1.19 H new ATOM 0 HD2 LYS A 70 12.573 3.887 -3.689 1.00 1.68 H new ATOM 0 HD3 LYS A 70 12.830 5.199 -2.556 1.00 1.68 H new ATOM 0 HE2 LYS A 70 13.486 3.488 -0.800 1.00 2.63 H new ATOM 0 HE3 LYS A 70 13.342 2.235 -2.017 1.00 2.63 H new ATOM 0 HZ1 LYS A 70 15.615 2.915 -1.749 1.00 3.64 H new ATOM 0 HZ2 LYS A 70 15.075 3.335 -3.303 1.00 3.64 H new ATOM 0 HZ3 LYS A 70 15.225 4.528 -2.104 1.00 3.64 H new ATOM 1140 N GLU A 71 8.216 1.650 -3.842 1.00 0.90 N ATOM 1141 CA GLU A 71 7.026 1.463 -4.671 1.00 0.80 C ATOM 1142 C GLU A 71 5.788 1.347 -3.785 1.00 0.76 C ATOM 1143 O GLU A 71 4.829 2.095 -3.920 1.00 0.85 O ATOM 1144 CB GLU A 71 7.188 0.166 -5.478 1.00 0.71 C ATOM 1145 CG GLU A 71 7.622 0.456 -6.913 1.00 1.29 C ATOM 1146 CD GLU A 71 6.442 0.377 -7.899 1.00 2.06 C ATOM 1147 OE1 GLU A 71 5.705 -0.636 -7.875 1.00 3.15 O ATOM 1148 OE2 GLU A 71 6.247 1.276 -8.738 1.00 2.57 O ATOM 0 H GLU A 71 9.010 1.079 -4.132 1.00 0.90 H new ATOM 0 HA GLU A 71 6.909 2.316 -5.340 1.00 0.80 H new ATOM 0 HB2 GLU A 71 7.925 -0.475 -4.995 1.00 0.71 H new ATOM 0 HB3 GLU A 71 6.245 -0.381 -5.484 1.00 0.71 H new ATOM 0 HG2 GLU A 71 8.070 1.448 -6.963 1.00 1.29 H new ATOM 0 HG3 GLU A 71 8.391 -0.257 -7.210 1.00 1.29 H new ATOM 1155 N TYR A 72 5.880 0.480 -2.779 1.00 0.74 N ATOM 1156 CA TYR A 72 4.805 0.226 -1.828 1.00 0.70 C ATOM 1157 C TYR A 72 4.390 1.471 -1.021 1.00 0.66 C ATOM 1158 O TYR A 72 3.210 1.816 -0.961 1.00 0.64 O ATOM 1159 CB TYR A 72 5.306 -0.909 -0.944 1.00 0.76 C ATOM 1160 CG TYR A 72 4.419 -1.277 0.226 1.00 0.76 C ATOM 1161 CD1 TYR A 72 3.062 -1.594 0.035 1.00 1.93 C ATOM 1162 CD2 TYR A 72 4.975 -1.350 1.519 1.00 1.49 C ATOM 1163 CE1 TYR A 72 2.298 -2.121 1.092 1.00 2.10 C ATOM 1164 CE2 TYR A 72 4.216 -1.864 2.582 1.00 1.43 C ATOM 1165 CZ TYR A 72 2.891 -2.286 2.359 1.00 1.03 C ATOM 1166 OH TYR A 72 2.195 -2.864 3.364 1.00 1.25 O ATOM 0 H TYR A 72 6.718 -0.074 -2.601 1.00 0.74 H new ATOM 0 HA TYR A 72 3.887 -0.047 -2.348 1.00 0.70 H new ATOM 0 HB2 TYR A 72 5.441 -1.795 -1.565 1.00 0.76 H new ATOM 0 HB3 TYR A 72 6.289 -0.637 -0.559 1.00 0.76 H new ATOM 0 HD1 TYR A 72 2.604 -1.432 -0.929 1.00 1.93 H new ATOM 0 HD2 TYR A 72 5.985 -1.010 1.692 1.00 1.49 H new ATOM 0 HE1 TYR A 72 1.266 -2.397 0.934 1.00 2.10 H new ATOM 0 HE2 TYR A 72 4.647 -1.936 3.569 1.00 1.43 H new ATOM 0 HH TYR A 72 2.753 -2.901 4.169 1.00 1.25 H new ATOM 1176 N SER A 73 5.343 2.195 -0.439 1.00 0.67 N ATOM 1177 CA SER A 73 5.065 3.438 0.295 1.00 0.71 C ATOM 1178 C SER A 73 4.564 4.593 -0.582 1.00 0.72 C ATOM 1179 O SER A 73 3.627 5.287 -0.164 1.00 0.74 O ATOM 1180 CB SER A 73 6.309 3.840 1.072 1.00 0.75 C ATOM 1181 OG SER A 73 6.024 4.884 1.974 1.00 1.89 O ATOM 0 H SER A 73 6.331 1.941 -0.460 1.00 0.67 H new ATOM 0 HA SER A 73 4.239 3.230 0.975 1.00 0.71 H new ATOM 0 HB2 SER A 73 6.696 2.979 1.617 1.00 0.75 H new ATOM 0 HB3 SER A 73 7.089 4.156 0.379 1.00 0.75 H new ATOM 0 HG SER A 73 6.834 5.112 2.477 1.00 1.89 H new ATOM 1187 N VAL A 74 5.091 4.786 -1.804 1.00 0.72 N ATOM 1188 CA VAL A 74 4.517 5.784 -2.715 1.00 0.71 C ATOM 1189 C VAL A 74 3.123 5.372 -3.162 1.00 0.65 C ATOM 1190 O VAL A 74 2.279 6.244 -3.241 1.00 0.60 O ATOM 1191 CB VAL A 74 5.361 6.156 -3.949 1.00 0.77 C ATOM 1192 CG1 VAL A 74 6.708 6.744 -3.537 1.00 0.84 C ATOM 1193 CG2 VAL A 74 5.549 5.071 -5.017 1.00 0.83 C ATOM 0 H VAL A 74 5.893 4.277 -2.174 1.00 0.72 H new ATOM 0 HA VAL A 74 4.489 6.690 -2.109 1.00 0.71 H new ATOM 0 HB VAL A 74 4.751 6.908 -4.449 1.00 0.77 H new ATOM 0 HG11 VAL A 74 7.282 6.997 -4.428 1.00 0.84 H new ATOM 0 HG12 VAL A 74 6.546 7.643 -2.942 1.00 0.84 H new ATOM 0 HG13 VAL A 74 7.259 6.012 -2.946 1.00 0.84 H new ATOM 0 HG21 VAL A 74 6.161 5.462 -5.829 1.00 0.83 H new ATOM 0 HG22 VAL A 74 6.043 4.206 -4.574 1.00 0.83 H new ATOM 0 HG23 VAL A 74 4.576 4.772 -5.407 1.00 0.83 H new ATOM 1203 N PHE A 75 2.845 4.087 -3.394 1.00 0.67 N ATOM 1204 CA PHE A 75 1.528 3.598 -3.805 1.00 0.63 C ATOM 1205 C PHE A 75 0.473 3.807 -2.709 1.00 0.61 C ATOM 1206 O PHE A 75 -0.597 4.357 -2.979 1.00 0.61 O ATOM 1207 CB PHE A 75 1.690 2.121 -4.174 1.00 0.62 C ATOM 1208 CG PHE A 75 0.531 1.519 -4.924 1.00 0.59 C ATOM 1209 CD1 PHE A 75 -0.654 1.157 -4.258 1.00 1.53 C ATOM 1210 CD2 PHE A 75 0.670 1.268 -6.297 1.00 2.09 C ATOM 1211 CE1 PHE A 75 -1.662 0.459 -4.943 1.00 1.57 C ATOM 1212 CE2 PHE A 75 -0.355 0.617 -6.987 1.00 2.07 C ATOM 1213 CZ PHE A 75 -1.506 0.173 -6.307 1.00 0.69 C ATOM 0 H PHE A 75 3.540 3.346 -3.300 1.00 0.67 H new ATOM 0 HA PHE A 75 1.165 4.162 -4.664 1.00 0.63 H new ATOM 0 HB2 PHE A 75 2.591 2.010 -4.778 1.00 0.62 H new ATOM 0 HB3 PHE A 75 1.847 1.549 -3.259 1.00 0.62 H new ATOM 0 HD1 PHE A 75 -0.789 1.416 -3.218 1.00 1.53 H new ATOM 0 HD2 PHE A 75 1.565 1.576 -6.818 1.00 2.09 H new ATOM 0 HE1 PHE A 75 -2.554 0.144 -4.421 1.00 1.57 H new ATOM 0 HE2 PHE A 75 -0.264 0.453 -8.051 1.00 2.07 H new ATOM 0 HZ PHE A 75 -2.265 -0.386 -6.834 1.00 0.69 H new ATOM 1223 N LEU A 76 0.803 3.441 -1.462 1.00 0.62 N ATOM 1224 CA LEU A 76 -0.043 3.705 -0.291 1.00 0.61 C ATOM 1225 C LEU A 76 -0.307 5.208 -0.109 1.00 0.63 C ATOM 1226 O LEU A 76 -1.424 5.606 0.218 1.00 0.59 O ATOM 1227 CB LEU A 76 0.634 3.126 0.965 1.00 0.64 C ATOM 1228 CG LEU A 76 0.646 1.587 1.091 1.00 0.71 C ATOM 1229 CD1 LEU A 76 1.495 1.213 2.316 1.00 1.11 C ATOM 1230 CD2 LEU A 76 -0.768 1.001 1.230 1.00 0.67 C ATOM 0 H LEU A 76 1.669 2.951 -1.237 1.00 0.62 H new ATOM 0 HA LEU A 76 -1.008 3.222 -0.447 1.00 0.61 H new ATOM 0 HB2 LEU A 76 1.665 3.479 0.991 1.00 0.64 H new ATOM 0 HB3 LEU A 76 0.134 3.537 1.842 1.00 0.64 H new ATOM 0 HG LEU A 76 1.070 1.166 0.179 1.00 0.71 H new ATOM 0 HD11 LEU A 76 1.518 0.129 2.425 1.00 1.11 H new ATOM 0 HD12 LEU A 76 2.510 1.586 2.182 1.00 1.11 H new ATOM 0 HD13 LEU A 76 1.060 1.659 3.210 1.00 1.11 H new ATOM 0 HD21 LEU A 76 -0.705 -0.084 1.315 1.00 0.67 H new ATOM 0 HD22 LEU A 76 -1.245 1.408 2.122 1.00 0.67 H new ATOM 0 HD23 LEU A 76 -1.358 1.262 0.352 1.00 0.67 H new ATOM 1242 N THR A 77 0.712 6.042 -0.381 1.00 0.74 N ATOM 1243 CA THR A 77 0.618 7.507 -0.346 1.00 0.81 C ATOM 1244 C THR A 77 -0.277 8.023 -1.481 1.00 0.82 C ATOM 1245 O THR A 77 -1.227 8.746 -1.206 1.00 0.85 O ATOM 1246 CB THR A 77 2.026 8.123 -0.349 1.00 0.87 C ATOM 1247 OG1 THR A 77 2.727 7.711 0.798 1.00 0.92 O ATOM 1248 CG2 THR A 77 1.977 9.652 -0.310 1.00 0.97 C ATOM 0 H THR A 77 1.641 5.707 -0.636 1.00 0.74 H new ATOM 0 HA THR A 77 0.138 7.822 0.580 1.00 0.81 H new ATOM 0 HB THR A 77 2.514 7.791 -1.265 1.00 0.87 H new ATOM 0 HG1 THR A 77 3.130 6.832 0.637 1.00 0.92 H new ATOM 0 HG21 THR A 77 2.992 10.049 -0.313 1.00 0.97 H new ATOM 0 HG22 THR A 77 1.440 10.021 -1.184 1.00 0.97 H new ATOM 0 HG23 THR A 77 1.464 9.977 0.595 1.00 0.97 H new ATOM 1256 N MET A 78 -0.034 7.625 -2.738 1.00 0.84 N ATOM 1257 CA MET A 78 -0.790 8.056 -3.921 1.00 0.86 C ATOM 1258 C MET A 78 -2.272 7.764 -3.788 1.00 0.85 C ATOM 1259 O MET A 78 -3.087 8.598 -4.166 1.00 0.91 O ATOM 1260 CB MET A 78 -0.286 7.335 -5.182 1.00 0.90 C ATOM 1261 CG MET A 78 1.131 7.760 -5.564 1.00 1.93 C ATOM 1262 SD MET A 78 1.333 8.340 -7.262 1.00 1.56 S ATOM 1263 CE MET A 78 0.831 6.812 -8.093 1.00 1.58 C ATOM 0 H MET A 78 0.718 6.974 -2.966 1.00 0.84 H new ATOM 0 HA MET A 78 -0.638 9.132 -4.003 1.00 0.86 H new ATOM 0 HB2 MET A 78 -0.308 6.258 -5.015 1.00 0.90 H new ATOM 0 HB3 MET A 78 -0.962 7.543 -6.012 1.00 0.90 H new ATOM 0 HG2 MET A 78 1.450 8.552 -4.887 1.00 1.93 H new ATOM 0 HG3 MET A 78 1.801 6.915 -5.404 1.00 1.93 H new ATOM 0 HE1 MET A 78 1.350 6.730 -9.048 1.00 1.58 H new ATOM 0 HE2 MET A 78 1.085 5.957 -7.467 1.00 1.58 H new ATOM 0 HE3 MET A 78 -0.245 6.828 -8.266 1.00 1.58 H new ATOM 1273 N LEU A 79 -2.613 6.598 -3.238 1.00 0.82 N ATOM 1274 CA LEU A 79 -4.005 6.249 -2.960 1.00 0.86 C ATOM 1275 C LEU A 79 -4.663 7.287 -2.042 1.00 1.06 C ATOM 1276 O LEU A 79 -5.684 7.838 -2.428 1.00 1.28 O ATOM 1277 CB LEU A 79 -4.094 4.798 -2.451 1.00 0.84 C ATOM 1278 CG LEU A 79 -5.522 4.218 -2.309 1.00 0.96 C ATOM 1279 CD1 LEU A 79 -6.138 4.542 -0.946 1.00 2.50 C ATOM 1280 CD2 LEU A 79 -6.497 4.654 -3.421 1.00 2.95 C ATOM 0 H LEU A 79 -1.941 5.877 -2.976 1.00 0.82 H new ATOM 0 HA LEU A 79 -4.586 6.282 -3.882 1.00 0.86 H new ATOM 0 HB2 LEU A 79 -3.529 4.160 -3.131 1.00 0.84 H new ATOM 0 HB3 LEU A 79 -3.602 4.743 -1.480 1.00 0.84 H new ATOM 0 HG LEU A 79 -5.383 3.141 -2.405 1.00 0.96 H new ATOM 0 HD11 LEU A 79 -7.140 4.116 -0.889 1.00 2.50 H new ATOM 0 HD12 LEU A 79 -5.518 4.118 -0.156 1.00 2.50 H new ATOM 0 HD13 LEU A 79 -6.196 5.623 -0.820 1.00 2.50 H new ATOM 0 HD21 LEU A 79 -7.474 4.203 -3.246 1.00 2.95 H new ATOM 0 HD22 LEU A 79 -6.592 5.740 -3.416 1.00 2.95 H new ATOM 0 HD23 LEU A 79 -6.115 4.327 -4.388 1.00 2.95 H new ATOM 1292 N CYS A 80 -4.070 7.612 -0.884 1.00 1.06 N ATOM 1293 CA CYS A 80 -4.579 8.661 0.016 1.00 1.28 C ATOM 1294 C CYS A 80 -4.782 10.008 -0.712 1.00 1.41 C ATOM 1295 O CYS A 80 -5.860 10.602 -0.636 1.00 1.67 O ATOM 1296 CB CYS A 80 -3.612 8.772 1.215 1.00 1.35 C ATOM 1297 SG CYS A 80 -4.386 9.751 2.539 1.00 1.65 S ATOM 0 H CYS A 80 -3.224 7.156 -0.544 1.00 1.06 H new ATOM 0 HA CYS A 80 -5.570 8.388 0.377 1.00 1.28 H new ATOM 0 HB2 CYS A 80 -3.360 7.778 1.584 1.00 1.35 H new ATOM 0 HB3 CYS A 80 -2.680 9.241 0.900 1.00 1.35 H new ATOM 0 HG CYS A 80 -3.570 9.840 3.547 1.00 1.65 H new ATOM 1303 N MET A 81 -3.781 10.435 -1.490 1.00 1.31 N ATOM 1304 CA MET A 81 -3.815 11.682 -2.267 1.00 1.47 C ATOM 1305 C MET A 81 -4.881 11.658 -3.368 1.00 1.53 C ATOM 1306 O MET A 81 -5.348 12.708 -3.793 1.00 1.69 O ATOM 1307 CB MET A 81 -2.435 11.964 -2.893 1.00 1.58 C ATOM 1308 CG MET A 81 -1.270 12.051 -1.893 1.00 1.69 C ATOM 1309 SD MET A 81 -1.376 13.319 -0.610 1.00 2.92 S ATOM 1310 CE MET A 81 -1.225 14.814 -1.618 1.00 3.45 C ATOM 0 H MET A 81 -2.910 9.916 -1.600 1.00 1.31 H new ATOM 0 HA MET A 81 -4.076 12.479 -1.570 1.00 1.47 H new ATOM 0 HB2 MET A 81 -2.214 11.179 -3.617 1.00 1.58 H new ATOM 0 HB3 MET A 81 -2.489 12.902 -3.446 1.00 1.58 H new ATOM 0 HG2 MET A 81 -1.172 11.082 -1.403 1.00 1.69 H new ATOM 0 HG3 MET A 81 -0.352 12.217 -2.457 1.00 1.69 H new ATOM 0 HE1 MET A 81 -1.182 15.688 -0.968 1.00 3.45 H new ATOM 0 HE2 MET A 81 -0.314 14.760 -2.214 1.00 3.45 H new ATOM 0 HE3 MET A 81 -2.088 14.896 -2.279 1.00 3.45 H new ATOM 1320 N ALA A 82 -5.282 10.469 -3.830 1.00 1.49 N ATOM 1321 CA ALA A 82 -6.261 10.291 -4.891 1.00 1.66 C ATOM 1322 C ALA A 82 -7.730 10.210 -4.418 1.00 1.78 C ATOM 1323 O ALA A 82 -8.609 9.953 -5.248 1.00 2.01 O ATOM 1324 CB ALA A 82 -5.834 9.082 -5.732 1.00 1.86 C ATOM 0 H ALA A 82 -4.923 9.587 -3.464 1.00 1.49 H new ATOM 0 HA ALA A 82 -6.262 11.193 -5.503 1.00 1.66 H new ATOM 0 HB1 ALA A 82 -6.553 8.926 -6.536 1.00 1.86 H new ATOM 0 HB2 ALA A 82 -4.847 9.265 -6.157 1.00 1.86 H new ATOM 0 HB3 ALA A 82 -5.798 8.194 -5.101 1.00 1.86 H new ATOM 1330 N TYR A 83 -8.033 10.410 -3.124 1.00 1.73 N ATOM 1331 CA TYR A 83 -9.429 10.477 -2.647 1.00 2.03 C ATOM 1332 C TYR A 83 -9.723 11.333 -1.398 1.00 2.19 C ATOM 1333 O TYR A 83 -10.888 11.706 -1.217 1.00 2.95 O ATOM 1334 CB TYR A 83 -9.980 9.050 -2.406 1.00 2.05 C ATOM 1335 CG TYR A 83 -9.679 8.470 -1.028 1.00 1.57 C ATOM 1336 CD1 TYR A 83 -10.533 8.724 0.067 1.00 2.63 C ATOM 1337 CD2 TYR A 83 -8.503 7.737 -0.819 1.00 1.82 C ATOM 1338 CE1 TYR A 83 -10.188 8.302 1.358 1.00 3.14 C ATOM 1339 CE2 TYR A 83 -8.126 7.341 0.477 1.00 1.72 C ATOM 1340 CZ TYR A 83 -8.959 7.637 1.577 1.00 2.25 C ATOM 1341 OH TYR A 83 -8.576 7.279 2.830 1.00 3.06 O ATOM 0 H TYR A 83 -7.334 10.528 -2.390 1.00 1.73 H new ATOM 0 HA TYR A 83 -9.934 10.998 -3.460 1.00 2.03 H new ATOM 0 HB2 TYR A 83 -11.060 9.064 -2.550 1.00 2.05 H new ATOM 0 HB3 TYR A 83 -9.566 8.384 -3.163 1.00 2.05 H new ATOM 0 HD1 TYR A 83 -11.463 9.250 -0.092 1.00 2.63 H new ATOM 0 HD2 TYR A 83 -7.880 7.474 -1.661 1.00 1.82 H new ATOM 0 HE1 TYR A 83 -10.859 8.484 2.184 1.00 3.14 H new ATOM 0 HE2 TYR A 83 -7.198 6.810 0.630 1.00 1.72 H new ATOM 0 HH TYR A 83 -7.705 6.831 2.790 1.00 3.06 H new ATOM 1351 N ASN A 84 -8.758 11.545 -0.495 1.00 1.77 N ATOM 1352 CA ASN A 84 -9.065 11.826 0.912 1.00 2.07 C ATOM 1353 C ASN A 84 -9.391 13.306 1.215 1.00 1.84 C ATOM 1354 O ASN A 84 -8.548 14.192 1.100 1.00 2.13 O ATOM 1355 CB ASN A 84 -7.929 11.266 1.786 1.00 2.33 C ATOM 1356 CG ASN A 84 -8.137 11.496 3.278 1.00 2.95 C ATOM 1357 OD1 ASN A 84 -9.245 11.681 3.758 1.00 4.05 O ATOM 1358 ND2 ASN A 84 -7.064 11.502 4.042 1.00 3.12 N ATOM 0 H ASN A 84 -7.762 11.527 -0.713 1.00 1.77 H new ATOM 0 HA ASN A 84 -9.997 11.317 1.159 1.00 2.07 H new ATOM 0 HB2 ASN A 84 -7.834 10.196 1.602 1.00 2.33 H new ATOM 0 HB3 ASN A 84 -6.988 11.726 1.484 1.00 2.33 H new ATOM 0 HD21 ASN A 84 -7.153 11.662 5.045 1.00 3.12 H new ATOM 0 HD22 ASN A 84 -6.144 11.346 3.630 1.00 3.12 H new ATOM 1365 N ASP A 85 -10.608 13.554 1.702 1.00 1.94 N ATOM 1366 CA ASP A 85 -11.094 14.889 2.087 1.00 1.95 C ATOM 1367 C ASP A 85 -10.523 15.364 3.440 1.00 1.75 C ATOM 1368 O ASP A 85 -10.405 16.566 3.679 1.00 1.87 O ATOM 1369 CB ASP A 85 -12.636 14.857 2.178 1.00 3.02 C ATOM 1370 CG ASP A 85 -13.303 13.911 1.173 1.00 3.65 C ATOM 1371 OD1 ASP A 85 -13.385 12.697 1.469 1.00 4.59 O ATOM 1372 OD2 ASP A 85 -13.666 14.325 0.050 1.00 4.12 O ATOM 0 H ASP A 85 -11.301 12.820 1.845 1.00 1.94 H new ATOM 0 HA ASP A 85 -10.757 15.591 1.324 1.00 1.95 H new ATOM 0 HB2 ASP A 85 -12.924 14.560 3.186 1.00 3.02 H new ATOM 0 HB3 ASP A 85 -13.019 15.865 2.021 1.00 3.02 H new ATOM 1377 N PHE A 86 -10.172 14.431 4.333 1.00 2.04 N ATOM 1378 CA PHE A 86 -9.929 14.698 5.758 1.00 2.57 C ATOM 1379 C PHE A 86 -8.608 15.442 6.051 1.00 2.62 C ATOM 1380 O PHE A 86 -8.353 15.832 7.188 1.00 3.27 O ATOM 1381 CB PHE A 86 -10.029 13.367 6.527 1.00 2.94 C ATOM 1382 CG PHE A 86 -10.567 13.505 7.939 1.00 4.02 C ATOM 1383 CD1 PHE A 86 -11.959 13.514 8.154 1.00 4.17 C ATOM 1384 CD2 PHE A 86 -9.694 13.622 9.041 1.00 5.68 C ATOM 1385 CE1 PHE A 86 -12.476 13.634 9.456 1.00 5.58 C ATOM 1386 CE2 PHE A 86 -10.213 13.749 10.340 1.00 7.19 C ATOM 1387 CZ PHE A 86 -11.602 13.754 10.550 1.00 7.03 C ATOM 0 H PHE A 86 -10.046 13.450 4.082 1.00 2.04 H new ATOM 0 HA PHE A 86 -10.697 15.391 6.102 1.00 2.57 H new ATOM 0 HB2 PHE A 86 -10.672 12.686 5.970 1.00 2.94 H new ATOM 0 HB3 PHE A 86 -9.041 12.909 6.570 1.00 2.94 H new ATOM 0 HD1 PHE A 86 -12.633 13.428 7.314 1.00 4.17 H new ATOM 0 HD2 PHE A 86 -8.625 13.614 8.886 1.00 5.68 H new ATOM 0 HE1 PHE A 86 -13.544 13.634 9.615 1.00 5.58 H new ATOM 0 HE2 PHE A 86 -9.542 13.843 11.181 1.00 7.19 H new ATOM 0 HZ PHE A 86 -11.998 13.850 11.550 1.00 7.03 H new ATOM 1397 N PHE A 87 -7.763 15.644 5.029 1.00 2.19 N ATOM 1398 CA PHE A 87 -6.526 16.433 5.111 1.00 2.54 C ATOM 1399 C PHE A 87 -6.507 17.654 4.168 1.00 2.51 C ATOM 1400 O PHE A 87 -5.483 18.333 4.075 1.00 3.00 O ATOM 1401 CB PHE A 87 -5.306 15.510 4.934 1.00 2.68 C ATOM 1402 CG PHE A 87 -4.942 15.149 3.506 1.00 3.65 C ATOM 1403 CD1 PHE A 87 -5.805 14.385 2.702 1.00 4.78 C ATOM 1404 CD2 PHE A 87 -3.711 15.578 2.976 1.00 4.62 C ATOM 1405 CE1 PHE A 87 -5.450 14.077 1.377 1.00 6.42 C ATOM 1406 CE2 PHE A 87 -3.350 15.254 1.659 1.00 6.29 C ATOM 1407 CZ PHE A 87 -4.229 14.518 0.852 1.00 7.08 C ATOM 0 H PHE A 87 -7.925 15.254 4.101 1.00 2.19 H new ATOM 0 HA PHE A 87 -6.479 16.872 6.107 1.00 2.54 H new ATOM 0 HB2 PHE A 87 -4.443 15.989 5.397 1.00 2.68 H new ATOM 0 HB3 PHE A 87 -5.491 14.587 5.484 1.00 2.68 H new ATOM 0 HD1 PHE A 87 -6.744 14.033 3.103 1.00 4.78 H new ATOM 0 HD2 PHE A 87 -3.039 16.161 3.588 1.00 4.62 H new ATOM 0 HE1 PHE A 87 -6.122 13.498 0.761 1.00 6.42 H new ATOM 0 HE2 PHE A 87 -2.395 15.572 1.267 1.00 6.29 H new ATOM 0 HZ PHE A 87 -3.965 14.292 -0.171 1.00 7.08 H new ATOM 1417 N LEU A 88 -7.625 17.954 3.502 1.00 2.05 N ATOM 1418 CA LEU A 88 -7.863 19.188 2.754 1.00 1.91 C ATOM 1419 C LEU A 88 -8.575 20.215 3.663 1.00 2.31 C ATOM 1420 O LEU A 88 -8.107 20.460 4.777 1.00 3.08 O ATOM 1421 CB LEU A 88 -8.554 18.789 1.422 1.00 1.58 C ATOM 1422 CG LEU A 88 -7.578 18.435 0.281 1.00 2.33 C ATOM 1423 CD1 LEU A 88 -6.837 19.687 -0.216 1.00 2.49 C ATOM 1424 CD2 LEU A 88 -6.557 17.344 0.626 1.00 3.43 C ATOM 0 H LEU A 88 -8.421 17.317 3.469 1.00 2.05 H new ATOM 0 HA LEU A 88 -6.958 19.719 2.459 1.00 1.91 H new ATOM 0 HB2 LEU A 88 -9.205 17.934 1.606 1.00 1.58 H new ATOM 0 HB3 LEU A 88 -9.192 19.611 1.097 1.00 1.58 H new ATOM 0 HG LEU A 88 -8.211 18.027 -0.507 1.00 2.33 H new ATOM 0 HD11 LEU A 88 -6.155 19.411 -1.020 1.00 2.49 H new ATOM 0 HD12 LEU A 88 -7.559 20.414 -0.586 1.00 2.49 H new ATOM 0 HD13 LEU A 88 -6.270 20.125 0.606 1.00 2.49 H new ATOM 0 HD21 LEU A 88 -5.914 17.162 -0.235 1.00 3.43 H new ATOM 0 HD22 LEU A 88 -5.949 17.668 1.471 1.00 3.43 H new ATOM 0 HD23 LEU A 88 -7.081 16.425 0.888 1.00 3.43 H new ATOM 1436 N GLU A 89 -9.635 20.869 3.187 1.00 2.37 N ATOM 1437 CA GLU A 89 -10.368 21.940 3.888 1.00 3.00 C ATOM 1438 C GLU A 89 -11.851 22.035 3.484 1.00 3.25 C ATOM 1439 O GLU A 89 -12.651 22.590 4.224 1.00 4.00 O ATOM 1440 CB GLU A 89 -9.752 23.310 3.530 1.00 3.25 C ATOM 1441 CG GLU A 89 -8.383 23.585 4.158 1.00 4.00 C ATOM 1442 CD GLU A 89 -7.856 24.996 3.880 1.00 4.13 C ATOM 1443 OE1 GLU A 89 -8.325 25.633 2.909 1.00 4.67 O ATOM 1444 OE2 GLU A 89 -6.944 25.400 4.644 1.00 4.64 O ATOM 0 H GLU A 89 -10.027 20.664 2.268 1.00 2.37 H new ATOM 0 HA GLU A 89 -10.295 21.696 4.948 1.00 3.00 H new ATOM 0 HB2 GLU A 89 -9.659 23.378 2.446 1.00 3.25 H new ATOM 0 HB3 GLU A 89 -10.442 24.095 3.840 1.00 3.25 H new ATOM 0 HG2 GLU A 89 -8.450 23.436 5.236 1.00 4.00 H new ATOM 0 HG3 GLU A 89 -7.666 22.857 3.780 1.00 4.00 H new ATOM 1451 N ASP A 90 -12.174 21.580 2.269 1.00 3.04 N ATOM 1452 CA ASP A 90 -12.911 22.309 1.220 1.00 3.29 C ATOM 1453 C ASP A 90 -12.305 21.869 -0.138 1.00 3.33 C ATOM 1454 O ASP A 90 -11.260 21.214 -0.152 1.00 3.71 O ATOM 1455 CB ASP A 90 -12.862 23.835 1.463 1.00 3.83 C ATOM 1456 CG ASP A 90 -13.328 24.701 0.298 1.00 4.61 C ATOM 1457 OD1 ASP A 90 -14.383 24.388 -0.297 1.00 5.29 O ATOM 1458 OD2 ASP A 90 -12.575 25.654 -0.005 1.00 5.21 O ATOM 0 H ASP A 90 -11.915 20.640 1.970 1.00 3.04 H new ATOM 0 HA ASP A 90 -13.974 22.068 1.228 1.00 3.29 H new ATOM 0 HB2 ASP A 90 -13.476 24.066 2.333 1.00 3.83 H new ATOM 0 HB3 ASP A 90 -11.838 24.113 1.712 1.00 3.83 H new ATOM 1463 N ASN A 91 -12.949 22.184 -1.270 1.00 3.93 N ATOM 1464 CA ASN A 91 -12.623 21.653 -2.602 1.00 4.67 C ATOM 1465 C ASN A 91 -11.348 22.291 -3.199 1.00 4.49 C ATOM 1466 O ASN A 91 -11.419 23.212 -4.019 1.00 5.12 O ATOM 1467 CB ASN A 91 -13.845 21.806 -3.536 1.00 5.83 C ATOM 1468 CG ASN A 91 -14.965 20.797 -3.284 1.00 7.28 C ATOM 1469 OD1 ASN A 91 -15.424 20.113 -4.188 1.00 8.26 O ATOM 1470 ND2 ASN A 91 -15.452 20.671 -2.061 1.00 7.98 N ATOM 0 H ASN A 91 -13.735 22.835 -1.285 1.00 3.93 H new ATOM 0 HA ASN A 91 -12.395 20.592 -2.499 1.00 4.67 H new ATOM 0 HB2 ASN A 91 -14.248 22.813 -3.424 1.00 5.83 H new ATOM 0 HB3 ASN A 91 -13.511 21.709 -4.569 1.00 5.83 H new ATOM 0 HD21 ASN A 91 -16.205 20.007 -1.878 1.00 7.98 H new ATOM 0 HD22 ASN A 91 -15.075 21.237 -1.301 1.00 7.98 H new ATOM 1477 N LYS A 92 -10.183 21.783 -2.780 1.00 4.12 N ATOM 1478 CA LYS A 92 -8.826 22.062 -3.280 1.00 4.54 C ATOM 1479 C LYS A 92 -7.993 20.775 -3.298 1.00 5.28 C ATOM 1480 O LYS A 92 -6.822 20.861 -3.723 1.00 5.82 O ATOM 1481 CB LYS A 92 -8.143 23.141 -2.418 1.00 4.87 C ATOM 1482 CG LYS A 92 -8.736 24.549 -2.602 1.00 5.24 C ATOM 1483 CD LYS A 92 -9.773 24.989 -1.560 1.00 5.50 C ATOM 1484 CE LYS A 92 -9.168 25.029 -0.154 1.00 6.23 C ATOM 1485 NZ LYS A 92 -9.962 25.878 0.762 1.00 6.87 N ATOM 1486 OXT LYS A 92 -8.542 19.730 -2.877 1.00 6.00 O ATOM 0 H LYS A 92 -10.161 21.107 -2.016 1.00 4.12 H new ATOM 0 HA LYS A 92 -8.901 22.440 -4.300 1.00 4.54 H new ATOM 0 HB2 LYS A 92 -8.222 22.858 -1.368 1.00 4.87 H new ATOM 0 HB3 LYS A 92 -7.081 23.169 -2.662 1.00 4.87 H new ATOM 0 HG2 LYS A 92 -7.918 25.269 -2.596 1.00 5.24 H new ATOM 0 HG3 LYS A 92 -9.198 24.600 -3.588 1.00 5.24 H new ATOM 0 HD2 LYS A 92 -10.158 25.975 -1.821 1.00 5.50 H new ATOM 0 HD3 LYS A 92 -10.620 24.303 -1.574 1.00 5.50 H new ATOM 0 HE2 LYS A 92 -9.111 24.017 0.246 1.00 6.23 H new ATOM 0 HE3 LYS A 92 -8.147 25.408 -0.208 1.00 6.23 H new ATOM 0 HZ1 LYS A 92 -9.706 25.661 1.746 1.00 6.87 H new ATOM 0 HZ2 LYS A 92 -9.764 26.880 0.566 1.00 6.87 H new ATOM 0 HZ3 LYS A 92 -10.975 25.691 0.619 1.00 6.87 H new TER 1500 LYS A 92 ATOM 1501 N MET B 1 -12.115 1.399 7.210 1.00 4.49 N ATOM 1502 CA MET B 1 -12.985 0.579 8.078 1.00 4.03 C ATOM 1503 C MET B 1 -12.472 0.325 9.497 1.00 2.94 C ATOM 1504 O MET B 1 -13.175 -0.366 10.229 1.00 4.06 O ATOM 1505 CB MET B 1 -13.347 -0.759 7.405 1.00 5.52 C ATOM 1506 CG MET B 1 -14.866 -0.908 7.297 1.00 6.83 C ATOM 1507 SD MET B 1 -15.417 -2.593 6.911 1.00 8.40 S ATOM 1508 CE MET B 1 -15.277 -3.348 8.554 1.00 8.76 C ATOM 0 H1 MET B 1 -12.702 1.962 6.562 1.00 4.49 H new ATOM 0 H2 MET B 1 -11.539 2.036 7.797 1.00 4.49 H new ATOM 0 H3 MET B 1 -11.490 0.777 6.658 1.00 4.49 H new ATOM 0 HA MET B 1 -13.874 1.197 8.203 1.00 4.03 H new ATOM 0 HB2 MET B 1 -12.899 -0.807 6.412 1.00 5.52 H new ATOM 0 HB3 MET B 1 -12.934 -1.587 7.981 1.00 5.52 H new ATOM 0 HG2 MET B 1 -15.319 -0.595 8.238 1.00 6.83 H new ATOM 0 HG3 MET B 1 -15.233 -0.231 6.526 1.00 6.83 H new ATOM 0 HE1 MET B 1 -15.596 -4.389 8.504 1.00 8.76 H new ATOM 0 HE2 MET B 1 -14.241 -3.302 8.889 1.00 8.76 H new ATOM 0 HE3 MET B 1 -15.910 -2.808 9.258 1.00 8.76 H new ATOM 1517 N GLU B 2 -11.287 0.815 9.893 1.00 1.71 N ATOM 1518 CA GLU B 2 -10.539 0.422 11.110 1.00 1.55 C ATOM 1519 C GLU B 2 -9.796 -0.916 10.896 1.00 1.33 C ATOM 1520 O GLU B 2 -9.790 -1.830 11.724 1.00 1.87 O ATOM 1521 CB GLU B 2 -11.391 0.456 12.395 1.00 2.62 C ATOM 1522 CG GLU B 2 -10.536 0.603 13.668 1.00 3.97 C ATOM 1523 CD GLU B 2 -9.839 1.962 13.782 1.00 4.78 C ATOM 1524 OE1 GLU B 2 -10.340 2.967 13.227 1.00 4.86 O ATOM 1525 OE2 GLU B 2 -8.706 2.025 14.305 1.00 5.83 O ATOM 0 H GLU B 2 -10.797 1.528 9.353 1.00 1.71 H new ATOM 0 HA GLU B 2 -9.779 1.185 11.277 1.00 1.55 H new ATOM 0 HB2 GLU B 2 -12.096 1.285 12.337 1.00 2.62 H new ATOM 0 HB3 GLU B 2 -11.980 -0.459 12.461 1.00 2.62 H new ATOM 0 HG2 GLU B 2 -11.171 0.455 14.542 1.00 3.97 H new ATOM 0 HG3 GLU B 2 -9.783 -0.185 13.684 1.00 3.97 H new ATOM 1532 N THR B 3 -9.178 -1.030 9.721 1.00 0.99 N ATOM 1533 CA THR B 3 -8.342 -2.156 9.277 1.00 1.05 C ATOM 1534 C THR B 3 -6.876 -1.905 9.665 1.00 1.02 C ATOM 1535 O THR B 3 -6.490 -0.750 9.842 1.00 1.05 O ATOM 1536 CB THR B 3 -8.548 -2.419 7.775 1.00 1.31 C ATOM 1537 OG1 THR B 3 -8.256 -1.291 6.985 1.00 1.67 O ATOM 1538 CG2 THR B 3 -9.990 -2.827 7.474 1.00 1.75 C ATOM 0 H THR B 3 -9.248 -0.301 9.011 1.00 0.99 H new ATOM 0 HA THR B 3 -8.646 -3.071 9.786 1.00 1.05 H new ATOM 0 HB THR B 3 -7.859 -3.226 7.526 1.00 1.31 H new ATOM 0 HG1 THR B 3 -8.919 -0.590 7.158 1.00 1.67 H new ATOM 0 HG21 THR B 3 -10.102 -3.005 6.405 1.00 1.75 H new ATOM 0 HG22 THR B 3 -10.232 -3.738 8.021 1.00 1.75 H new ATOM 0 HG23 THR B 3 -10.666 -2.029 7.781 1.00 1.75 H new ATOM 1546 N PRO B 4 -6.038 -2.943 9.858 1.00 1.11 N ATOM 1547 CA PRO B 4 -4.751 -2.775 10.532 1.00 1.16 C ATOM 1548 C PRO B 4 -3.783 -1.869 9.759 1.00 1.05 C ATOM 1549 O PRO B 4 -3.115 -1.031 10.371 1.00 1.08 O ATOM 1550 CB PRO B 4 -4.197 -4.190 10.737 1.00 1.42 C ATOM 1551 CG PRO B 4 -4.935 -5.035 9.699 1.00 1.49 C ATOM 1552 CD PRO B 4 -6.297 -4.352 9.605 1.00 1.29 C ATOM 0 HA PRO B 4 -4.879 -2.262 11.485 1.00 1.16 H new ATOM 0 HB2 PRO B 4 -3.118 -4.222 10.583 1.00 1.42 H new ATOM 0 HB3 PRO B 4 -4.385 -4.549 11.749 1.00 1.42 H new ATOM 0 HG2 PRO B 4 -4.418 -5.038 8.739 1.00 1.49 H new ATOM 0 HG3 PRO B 4 -5.026 -6.074 10.015 1.00 1.49 H new ATOM 0 HD2 PRO B 4 -6.744 -4.499 8.622 1.00 1.29 H new ATOM 0 HD3 PRO B 4 -6.994 -4.761 10.336 1.00 1.29 H new ATOM 1560 N LEU B 5 -3.724 -1.989 8.426 1.00 0.99 N ATOM 1561 CA LEU B 5 -2.794 -1.198 7.611 1.00 0.93 C ATOM 1562 C LEU B 5 -3.219 0.263 7.454 1.00 0.83 C ATOM 1563 O LEU B 5 -2.373 1.158 7.468 1.00 0.89 O ATOM 1564 CB LEU B 5 -2.616 -1.906 6.261 1.00 1.00 C ATOM 1565 CG LEU B 5 -1.205 -1.711 5.676 1.00 1.19 C ATOM 1566 CD1 LEU B 5 -0.816 -2.997 4.942 1.00 2.71 C ATOM 1567 CD2 LEU B 5 -1.082 -0.533 4.703 1.00 1.71 C ATOM 0 H LEU B 5 -4.311 -2.628 7.889 1.00 0.99 H new ATOM 0 HA LEU B 5 -1.835 -1.144 8.126 1.00 0.93 H new ATOM 0 HB2 LEU B 5 -2.811 -2.971 6.384 1.00 1.00 H new ATOM 0 HB3 LEU B 5 -3.355 -1.526 5.555 1.00 1.00 H new ATOM 0 HG LEU B 5 -0.543 -1.486 6.512 1.00 1.19 H new ATOM 0 HD11 LEU B 5 0.182 -2.886 4.517 1.00 2.71 H new ATOM 0 HD12 LEU B 5 -0.821 -3.832 5.643 1.00 2.71 H new ATOM 0 HD13 LEU B 5 -1.531 -3.190 4.143 1.00 2.71 H new ATOM 0 HD21 LEU B 5 -0.057 -0.468 4.339 1.00 1.71 H new ATOM 0 HD22 LEU B 5 -1.757 -0.684 3.861 1.00 1.71 H new ATOM 0 HD23 LEU B 5 -1.344 0.392 5.217 1.00 1.71 H new ATOM 1579 N GLU B 6 -4.533 0.507 7.412 1.00 0.82 N ATOM 1580 CA GLU B 6 -5.176 1.830 7.404 1.00 0.91 C ATOM 1581 C GLU B 6 -4.644 2.687 8.559 1.00 0.95 C ATOM 1582 O GLU B 6 -4.436 3.893 8.409 1.00 1.09 O ATOM 1583 CB GLU B 6 -6.687 1.577 7.541 1.00 0.94 C ATOM 1584 CG GLU B 6 -7.708 2.721 7.508 1.00 1.45 C ATOM 1585 CD GLU B 6 -9.120 2.187 7.831 1.00 3.00 C ATOM 1586 OE1 GLU B 6 -9.359 0.961 7.798 1.00 4.57 O ATOM 1587 OE2 GLU B 6 -10.044 2.956 8.160 1.00 3.67 O ATOM 0 H GLU B 6 -5.214 -0.251 7.381 1.00 0.82 H new ATOM 0 HA GLU B 6 -4.961 2.377 6.486 1.00 0.91 H new ATOM 0 HB2 GLU B 6 -6.964 0.886 6.745 1.00 0.94 H new ATOM 0 HB3 GLU B 6 -6.834 1.052 8.485 1.00 0.94 H new ATOM 0 HG2 GLU B 6 -7.428 3.489 8.230 1.00 1.45 H new ATOM 0 HG3 GLU B 6 -7.706 3.192 6.525 1.00 1.45 H new ATOM 1594 N LYS B 7 -4.351 2.063 9.710 1.00 0.92 N ATOM 1595 CA LYS B 7 -3.858 2.770 10.891 1.00 1.00 C ATOM 1596 C LYS B 7 -2.395 3.230 10.757 1.00 1.00 C ATOM 1597 O LYS B 7 -2.009 4.199 11.413 1.00 1.12 O ATOM 1598 CB LYS B 7 -4.065 1.932 12.166 1.00 1.08 C ATOM 1599 CG LYS B 7 -5.443 1.271 12.342 1.00 1.58 C ATOM 1600 CD LYS B 7 -6.680 2.068 11.896 1.00 2.39 C ATOM 1601 CE LYS B 7 -6.770 3.448 12.564 1.00 2.97 C ATOM 1602 NZ LYS B 7 -8.080 4.085 12.310 1.00 3.91 N ATOM 0 H LYS B 7 -4.450 1.057 9.843 1.00 0.92 H new ATOM 0 HA LYS B 7 -4.455 3.678 10.974 1.00 1.00 H new ATOM 0 HB2 LYS B 7 -3.307 1.149 12.185 1.00 1.08 H new ATOM 0 HB3 LYS B 7 -3.883 2.573 13.028 1.00 1.08 H new ATOM 0 HG2 LYS B 7 -5.436 0.329 11.794 1.00 1.58 H new ATOM 0 HG3 LYS B 7 -5.565 1.025 13.397 1.00 1.58 H new ATOM 0 HD2 LYS B 7 -6.655 2.194 10.814 1.00 2.39 H new ATOM 0 HD3 LYS B 7 -7.578 1.497 12.130 1.00 2.39 H new ATOM 0 HE2 LYS B 7 -6.616 3.345 13.638 1.00 2.97 H new ATOM 0 HE3 LYS B 7 -5.973 4.089 12.188 1.00 2.97 H new ATOM 0 HZ1 LYS B 7 -7.961 5.117 12.264 1.00 3.91 H new ATOM 0 HZ2 LYS B 7 -8.464 3.741 11.407 1.00 3.91 H new ATOM 0 HZ3 LYS B 7 -8.737 3.846 13.080 1.00 3.91 H new ATOM 1616 N ALA B 8 -1.591 2.582 9.902 1.00 0.93 N ATOM 1617 CA ALA B 8 -0.251 3.051 9.539 1.00 0.94 C ATOM 1618 C ALA B 8 -0.364 4.401 8.824 1.00 0.80 C ATOM 1619 O ALA B 8 0.101 5.405 9.363 1.00 0.73 O ATOM 1620 CB ALA B 8 0.467 1.990 8.684 1.00 1.08 C ATOM 0 H ALA B 8 -1.857 1.712 9.441 1.00 0.93 H new ATOM 0 HA ALA B 8 0.353 3.199 10.434 1.00 0.94 H new ATOM 0 HB1 ALA B 8 1.462 2.348 8.419 1.00 1.08 H new ATOM 0 HB2 ALA B 8 0.554 1.063 9.251 1.00 1.08 H new ATOM 0 HB3 ALA B 8 -0.106 1.806 7.775 1.00 1.08 H new ATOM 1626 N LEU B 9 -1.096 4.458 7.705 1.00 0.82 N ATOM 1627 CA LEU B 9 -1.379 5.717 6.994 1.00 0.75 C ATOM 1628 C LEU B 9 -2.024 6.762 7.917 1.00 0.69 C ATOM 1629 O LEU B 9 -1.536 7.891 7.973 1.00 0.64 O ATOM 1630 CB LEU B 9 -2.261 5.457 5.751 1.00 0.78 C ATOM 1631 CG LEU B 9 -1.572 4.840 4.514 1.00 0.76 C ATOM 1632 CD1 LEU B 9 -0.401 5.709 4.021 1.00 0.83 C ATOM 1633 CD2 LEU B 9 -1.113 3.397 4.762 1.00 0.79 C ATOM 0 H LEU B 9 -1.510 3.636 7.265 1.00 0.82 H new ATOM 0 HA LEU B 9 -0.425 6.126 6.660 1.00 0.75 H new ATOM 0 HB2 LEU B 9 -3.077 4.798 6.047 1.00 0.78 H new ATOM 0 HB3 LEU B 9 -2.710 6.404 5.451 1.00 0.78 H new ATOM 0 HG LEU B 9 -2.325 4.811 3.726 1.00 0.76 H new ATOM 0 HD11 LEU B 9 0.058 5.241 3.150 1.00 0.83 H new ATOM 0 HD12 LEU B 9 -0.771 6.698 3.750 1.00 0.83 H new ATOM 0 HD13 LEU B 9 0.341 5.804 4.814 1.00 0.83 H new ATOM 0 HD21 LEU B 9 -0.635 3.008 3.863 1.00 0.79 H new ATOM 0 HD22 LEU B 9 -0.402 3.378 5.588 1.00 0.79 H new ATOM 0 HD23 LEU B 9 -1.975 2.779 5.011 1.00 0.79 H new ATOM 1645 N THR B 10 -3.056 6.389 8.695 1.00 0.74 N ATOM 1646 CA THR B 10 -3.727 7.260 9.688 1.00 0.73 C ATOM 1647 C THR B 10 -2.718 7.940 10.615 1.00 0.70 C ATOM 1648 O THR B 10 -2.765 9.159 10.774 1.00 0.71 O ATOM 1649 CB THR B 10 -4.730 6.465 10.536 1.00 0.83 C ATOM 1650 OG1 THR B 10 -5.705 5.841 9.733 1.00 1.23 O ATOM 1651 CG2 THR B 10 -5.480 7.357 11.526 1.00 1.08 C ATOM 0 H THR B 10 -3.459 5.453 8.653 1.00 0.74 H new ATOM 0 HA THR B 10 -4.259 8.026 9.123 1.00 0.73 H new ATOM 0 HB THR B 10 -4.135 5.725 11.070 1.00 0.83 H new ATOM 0 HG1 THR B 10 -5.350 4.997 9.384 1.00 1.23 H new ATOM 0 HG21 THR B 10 -6.178 6.752 12.104 1.00 1.08 H new ATOM 0 HG22 THR B 10 -4.767 7.832 12.200 1.00 1.08 H new ATOM 0 HG23 THR B 10 -6.030 8.124 10.980 1.00 1.08 H new ATOM 1659 N THR B 11 -1.778 7.173 11.184 1.00 0.69 N ATOM 1660 CA THR B 11 -0.706 7.695 12.050 1.00 0.67 C ATOM 1661 C THR B 11 0.148 8.691 11.274 1.00 0.65 C ATOM 1662 O THR B 11 0.305 9.819 11.733 1.00 0.71 O ATOM 1663 CB THR B 11 0.135 6.555 12.635 1.00 0.71 C ATOM 1664 OG1 THR B 11 -0.702 5.640 13.302 1.00 0.84 O ATOM 1665 CG2 THR B 11 1.151 7.030 13.670 1.00 0.73 C ATOM 0 H THR B 11 -1.738 6.162 11.056 1.00 0.69 H new ATOM 0 HA THR B 11 -1.156 8.219 12.893 1.00 0.67 H new ATOM 0 HB THR B 11 0.659 6.110 11.789 1.00 0.71 H new ATOM 0 HG1 THR B 11 -1.226 5.137 12.644 1.00 0.84 H new ATOM 0 HG21 THR B 11 1.714 6.176 14.046 1.00 0.73 H new ATOM 0 HG22 THR B 11 1.836 7.741 13.208 1.00 0.73 H new ATOM 0 HG23 THR B 11 0.630 7.513 14.497 1.00 0.73 H new ATOM 1673 N MET B 12 0.601 8.330 10.071 1.00 0.64 N ATOM 1674 CA MET B 12 1.446 9.192 9.227 1.00 0.65 C ATOM 1675 C MET B 12 0.770 10.524 8.872 1.00 0.69 C ATOM 1676 O MET B 12 1.422 11.563 8.991 1.00 0.78 O ATOM 1677 CB MET B 12 1.887 8.445 7.956 1.00 0.68 C ATOM 1678 CG MET B 12 2.786 7.252 8.293 1.00 0.77 C ATOM 1679 SD MET B 12 3.246 6.238 6.870 1.00 0.97 S ATOM 1680 CE MET B 12 4.928 6.836 6.577 1.00 0.89 C ATOM 0 H MET B 12 0.393 7.425 9.648 1.00 0.64 H new ATOM 0 HA MET B 12 2.330 9.439 9.815 1.00 0.65 H new ATOM 0 HB2 MET B 12 1.008 8.098 7.412 1.00 0.68 H new ATOM 0 HB3 MET B 12 2.420 9.130 7.296 1.00 0.68 H new ATOM 0 HG2 MET B 12 3.694 7.620 8.770 1.00 0.77 H new ATOM 0 HG3 MET B 12 2.276 6.623 9.022 1.00 0.77 H new ATOM 0 HE1 MET B 12 5.473 6.109 5.975 1.00 0.89 H new ATOM 0 HE2 MET B 12 4.889 7.788 6.048 1.00 0.89 H new ATOM 0 HE3 MET B 12 5.437 6.972 7.531 1.00 0.89 H new ATOM 1690 N VAL B 13 -0.517 10.515 8.496 1.00 0.67 N ATOM 1691 CA VAL B 13 -1.266 11.755 8.205 1.00 0.70 C ATOM 1692 C VAL B 13 -1.513 12.600 9.470 1.00 0.69 C ATOM 1693 O VAL B 13 -1.561 13.828 9.386 1.00 0.74 O ATOM 1694 CB VAL B 13 -2.588 11.538 7.420 1.00 0.74 C ATOM 1695 CG1 VAL B 13 -2.371 10.841 6.063 1.00 0.78 C ATOM 1696 CG2 VAL B 13 -3.676 10.767 8.171 1.00 0.73 C ATOM 0 H VAL B 13 -1.066 9.662 8.385 1.00 0.67 H new ATOM 0 HA VAL B 13 -0.610 12.315 7.539 1.00 0.70 H new ATOM 0 HB VAL B 13 -2.940 12.559 7.275 1.00 0.74 H new ATOM 0 HG11 VAL B 13 -3.330 10.717 5.560 1.00 0.78 H new ATOM 0 HG12 VAL B 13 -1.713 11.449 5.443 1.00 0.78 H new ATOM 0 HG13 VAL B 13 -1.917 9.864 6.225 1.00 0.78 H new ATOM 0 HG21 VAL B 13 -4.557 10.670 7.536 1.00 0.73 H new ATOM 0 HG22 VAL B 13 -3.305 9.776 8.432 1.00 0.73 H new ATOM 0 HG23 VAL B 13 -3.942 11.306 9.081 1.00 0.73 H new ATOM 1706 N THR B 14 -1.597 11.963 10.650 1.00 0.69 N ATOM 1707 CA THR B 14 -1.754 12.638 11.953 1.00 0.72 C ATOM 1708 C THR B 14 -0.468 13.352 12.346 1.00 0.75 C ATOM 1709 O THR B 14 -0.504 14.555 12.606 1.00 0.97 O ATOM 1710 CB THR B 14 -2.182 11.648 13.043 1.00 0.74 C ATOM 1711 OG1 THR B 14 -3.374 11.024 12.644 1.00 0.95 O ATOM 1712 CG2 THR B 14 -2.472 12.345 14.372 1.00 0.93 C ATOM 0 H THR B 14 -1.557 10.947 10.728 1.00 0.69 H new ATOM 0 HA THR B 14 -2.543 13.383 11.852 1.00 0.72 H new ATOM 0 HB THR B 14 -1.364 10.941 13.178 1.00 0.74 H new ATOM 0 HG1 THR B 14 -3.169 10.292 12.025 1.00 0.95 H new ATOM 0 HG21 THR B 14 -2.771 11.604 15.114 1.00 0.93 H new ATOM 0 HG22 THR B 14 -1.575 12.861 14.716 1.00 0.93 H new ATOM 0 HG23 THR B 14 -3.276 13.068 14.236 1.00 0.93 H new ATOM 1720 N THR B 15 0.669 12.642 12.340 1.00 0.65 N ATOM 1721 CA THR B 15 1.997 13.225 12.608 1.00 0.71 C ATOM 1722 C THR B 15 2.359 14.308 11.618 1.00 0.69 C ATOM 1723 O THR B 15 2.898 15.317 12.047 1.00 0.89 O ATOM 1724 CB THR B 15 3.102 12.170 12.644 1.00 0.78 C ATOM 1725 OG1 THR B 15 2.952 11.261 11.583 1.00 1.67 O ATOM 1726 CG2 THR B 15 3.045 11.421 13.965 1.00 1.17 C ATOM 0 H THR B 15 0.696 11.641 12.148 1.00 0.65 H new ATOM 0 HA THR B 15 1.921 13.674 13.598 1.00 0.71 H new ATOM 0 HB THR B 15 4.066 12.669 12.543 1.00 0.78 H new ATOM 0 HG1 THR B 15 2.487 11.699 10.840 1.00 1.67 H new ATOM 0 HG21 THR B 15 3.833 10.668 13.991 1.00 1.17 H new ATOM 0 HG22 THR B 15 3.186 12.122 14.787 1.00 1.17 H new ATOM 0 HG23 THR B 15 2.075 10.934 14.066 1.00 1.17 H new ATOM 1734 N PHE B 16 2.004 14.153 10.335 1.00 0.59 N ATOM 1735 CA PHE B 16 2.181 15.196 9.325 1.00 0.58 C ATOM 1736 C PHE B 16 1.404 16.466 9.681 1.00 0.53 C ATOM 1737 O PHE B 16 1.969 17.540 9.593 1.00 0.59 O ATOM 1738 CB PHE B 16 1.754 14.656 7.950 1.00 0.70 C ATOM 1739 CG PHE B 16 2.036 15.570 6.769 1.00 0.74 C ATOM 1740 CD1 PHE B 16 1.108 16.556 6.380 1.00 1.96 C ATOM 1741 CD2 PHE B 16 3.211 15.396 6.013 1.00 1.44 C ATOM 1742 CE1 PHE B 16 1.346 17.335 5.234 1.00 2.04 C ATOM 1743 CE2 PHE B 16 3.418 16.135 4.836 1.00 1.42 C ATOM 1744 CZ PHE B 16 2.484 17.109 4.445 1.00 0.90 C ATOM 0 H PHE B 16 1.585 13.297 9.971 1.00 0.59 H new ATOM 0 HA PHE B 16 3.236 15.469 9.291 1.00 0.58 H new ATOM 0 HB2 PHE B 16 2.260 13.706 7.780 1.00 0.70 H new ATOM 0 HB3 PHE B 16 0.685 14.447 7.978 1.00 0.70 H new ATOM 0 HD1 PHE B 16 0.213 16.714 6.963 1.00 1.96 H new ATOM 0 HD2 PHE B 16 3.959 14.689 6.340 1.00 1.44 H new ATOM 0 HE1 PHE B 16 0.648 18.112 4.959 1.00 2.04 H new ATOM 0 HE2 PHE B 16 4.295 15.954 4.232 1.00 1.42 H new ATOM 0 HZ PHE B 16 2.641 17.681 3.542 1.00 0.90 H new ATOM 1754 N HIS B 17 0.148 16.380 10.132 1.00 0.55 N ATOM 1755 CA HIS B 17 -0.724 17.543 10.374 1.00 0.59 C ATOM 1756 C HIS B 17 -0.151 18.556 11.394 1.00 0.61 C ATOM 1757 O HIS B 17 -0.462 19.747 11.350 1.00 0.77 O ATOM 1758 CB HIS B 17 -2.092 17.015 10.850 1.00 0.84 C ATOM 1759 CG HIS B 17 -3.277 17.764 10.299 1.00 1.02 C ATOM 1760 ND1 HIS B 17 -4.295 17.211 9.558 1.00 2.60 N ATOM 1761 CD2 HIS B 17 -3.572 19.091 10.459 1.00 1.82 C ATOM 1762 CE1 HIS B 17 -5.182 18.179 9.279 1.00 2.71 C ATOM 1763 NE2 HIS B 17 -4.785 19.345 9.811 1.00 1.77 N ATOM 0 H HIS B 17 -0.301 15.489 10.343 1.00 0.55 H new ATOM 0 HA HIS B 17 -0.811 18.098 9.440 1.00 0.59 H new ATOM 0 HB2 HIS B 17 -2.180 15.965 10.570 1.00 0.84 H new ATOM 0 HB3 HIS B 17 -2.125 17.058 11.939 1.00 0.84 H new ATOM 0 HD1 HIS B 17 -4.364 16.235 9.270 1.00 2.60 H new ATOM 0 HD2 HIS B 17 -2.973 19.815 10.992 1.00 1.82 H new ATOM 0 HE1 HIS B 17 -6.087 18.039 8.707 1.00 2.71 H new ATOM 1772 N LYS B 18 0.707 18.087 12.306 1.00 0.65 N ATOM 1773 CA LYS B 18 1.436 18.909 13.282 1.00 0.84 C ATOM 1774 C LYS B 18 2.514 19.830 12.652 1.00 0.93 C ATOM 1775 O LYS B 18 2.985 20.766 13.309 1.00 1.23 O ATOM 1776 CB LYS B 18 2.126 17.952 14.264 1.00 0.98 C ATOM 1777 CG LYS B 18 1.258 17.048 15.152 1.00 1.55 C ATOM 1778 CD LYS B 18 2.225 16.097 15.870 1.00 2.56 C ATOM 1779 CE LYS B 18 1.581 15.201 16.931 1.00 3.89 C ATOM 1780 NZ LYS B 18 2.625 14.381 17.596 1.00 4.79 N ATOM 0 H LYS B 18 0.921 17.093 12.389 1.00 0.65 H new ATOM 0 HA LYS B 18 0.712 19.567 13.763 1.00 0.84 H new ATOM 0 HB2 LYS B 18 2.789 17.308 13.686 1.00 0.98 H new ATOM 0 HB3 LYS B 18 2.757 18.551 14.920 1.00 0.98 H new ATOM 0 HG2 LYS B 18 0.688 17.639 15.870 1.00 1.55 H new ATOM 0 HG3 LYS B 18 0.537 16.491 14.554 1.00 1.55 H new ATOM 0 HD2 LYS B 18 2.708 15.464 15.126 1.00 2.56 H new ATOM 0 HD3 LYS B 18 3.009 16.689 16.343 1.00 2.56 H new ATOM 0 HE2 LYS B 18 1.060 15.812 17.669 1.00 3.89 H new ATOM 0 HE3 LYS B 18 0.836 14.553 16.470 1.00 3.89 H new ATOM 0 HZ1 LYS B 18 2.204 13.863 18.393 1.00 4.79 H new ATOM 0 HZ2 LYS B 18 3.021 13.704 16.914 1.00 4.79 H new ATOM 0 HZ3 LYS B 18 3.382 15.001 17.948 1.00 4.79 H new ATOM 1794 N TYR B 19 2.955 19.538 11.426 1.00 0.82 N ATOM 1795 CA TYR B 19 4.031 20.218 10.692 1.00 1.03 C ATOM 1796 C TYR B 19 3.564 20.340 9.228 1.00 1.45 C ATOM 1797 O TYR B 19 3.715 19.401 8.457 1.00 3.32 O ATOM 1798 CB TYR B 19 5.345 19.416 10.840 1.00 0.91 C ATOM 1799 CG TYR B 19 5.679 18.939 12.246 1.00 0.70 C ATOM 1800 CD1 TYR B 19 5.118 17.743 12.717 1.00 1.95 C ATOM 1801 CD2 TYR B 19 6.535 19.679 13.084 1.00 1.84 C ATOM 1802 CE1 TYR B 19 5.371 17.298 14.021 1.00 2.00 C ATOM 1803 CE2 TYR B 19 6.780 19.245 14.406 1.00 1.85 C ATOM 1804 CZ TYR B 19 6.177 18.056 14.890 1.00 0.83 C ATOM 1805 OH TYR B 19 6.354 17.638 16.176 1.00 1.13 O ATOM 0 H TYR B 19 2.548 18.775 10.885 1.00 0.82 H new ATOM 0 HA TYR B 19 4.236 21.214 11.083 1.00 1.03 H new ATOM 0 HB2 TYR B 19 5.293 18.546 10.185 1.00 0.91 H new ATOM 0 HB3 TYR B 19 6.168 20.035 10.482 1.00 0.91 H new ATOM 0 HD1 TYR B 19 4.484 17.158 12.067 1.00 1.95 H new ATOM 0 HD2 TYR B 19 7.005 20.579 12.716 1.00 1.84 H new ATOM 0 HE1 TYR B 19 4.944 16.366 14.362 1.00 2.00 H new ATOM 0 HE2 TYR B 19 7.428 19.820 15.050 1.00 1.85 H new ATOM 0 HH TYR B 19 5.931 16.762 16.297 1.00 1.13 H new ATOM 1815 N SER B 20 2.852 21.428 8.913 1.00 1.12 N ATOM 1816 CA SER B 20 1.850 21.638 7.841 1.00 0.77 C ATOM 1817 C SER B 20 0.641 22.433 8.399 1.00 0.87 C ATOM 1818 O SER B 20 0.659 23.670 8.485 1.00 1.56 O ATOM 1819 CB SER B 20 1.403 20.334 7.123 1.00 0.74 C ATOM 1820 OG SER B 20 0.856 19.363 8.003 1.00 1.44 O ATOM 0 H SER B 20 2.971 22.282 9.458 1.00 1.12 H new ATOM 0 HA SER B 20 2.340 22.224 7.063 1.00 0.77 H new ATOM 0 HB2 SER B 20 0.662 20.583 6.363 1.00 0.74 H new ATOM 0 HB3 SER B 20 2.259 19.902 6.605 1.00 0.74 H new ATOM 0 HG SER B 20 1.581 18.839 8.404 1.00 1.44 H new ATOM 1826 N GLY B 21 -0.416 21.730 8.832 1.00 1.03 N ATOM 1827 CA GLY B 21 -1.741 22.257 9.186 1.00 1.40 C ATOM 1828 C GLY B 21 -1.786 23.132 10.430 1.00 1.67 C ATOM 1829 O GLY B 21 -2.813 23.750 10.703 1.00 2.12 O ATOM 0 H GLY B 21 -0.365 20.718 8.951 1.00 1.03 H new ATOM 0 HA2 GLY B 21 -2.120 22.834 8.343 1.00 1.40 H new ATOM 0 HA3 GLY B 21 -2.421 21.417 9.329 1.00 1.40 H new ATOM 1832 N ARG B 22 -0.657 23.227 11.127 1.00 1.96 N ATOM 1833 CA ARG B 22 -0.339 24.215 12.149 1.00 2.51 C ATOM 1834 C ARG B 22 -0.314 25.659 11.616 1.00 2.66 C ATOM 1835 O ARG B 22 -0.596 26.575 12.382 1.00 3.27 O ATOM 1836 CB ARG B 22 1.037 23.853 12.730 1.00 2.75 C ATOM 1837 CG ARG B 22 2.104 23.627 11.635 1.00 2.40 C ATOM 1838 CD ARG B 22 3.448 24.227 11.991 1.00 1.91 C ATOM 1839 NE ARG B 22 4.246 23.341 12.832 1.00 2.69 N ATOM 1840 CZ ARG B 22 5.484 23.639 13.187 1.00 3.34 C ATOM 1841 NH1 ARG B 22 6.038 24.799 12.900 1.00 3.42 N ATOM 1842 NH2 ARG B 22 6.182 22.761 13.872 1.00 4.84 N ATOM 0 H ARG B 22 0.110 22.571 10.982 1.00 1.96 H new ATOM 0 HA ARG B 22 -1.123 24.188 12.906 1.00 2.51 H new ATOM 0 HB2 ARG B 22 1.368 24.651 13.395 1.00 2.75 H new ATOM 0 HB3 ARG B 22 0.946 22.951 13.335 1.00 2.75 H new ATOM 0 HG2 ARG B 22 2.223 22.557 11.465 1.00 2.40 H new ATOM 0 HG3 ARG B 22 1.754 24.061 10.698 1.00 2.40 H new ATOM 0 HD2 ARG B 22 3.998 24.448 11.076 1.00 1.91 H new ATOM 0 HD3 ARG B 22 3.295 25.174 12.508 1.00 1.91 H new ATOM 0 HE ARG B 22 3.836 22.465 13.156 1.00 2.69 H new ATOM 0 HH11 ARG B 22 5.509 25.504 12.387 1.00 3.42 H new ATOM 0 HH12 ARG B 22 6.996 24.992 13.191 1.00 3.42 H new ATOM 0 HH21 ARG B 22 5.767 21.864 14.123 1.00 4.84 H new ATOM 0 HH22 ARG B 22 7.138 22.977 14.153 1.00 4.84 H new ATOM 1856 N GLU B 23 0.062 25.865 10.346 1.00 2.36 N ATOM 1857 CA GLU B 23 0.392 27.179 9.788 1.00 2.79 C ATOM 1858 C GLU B 23 -0.297 27.455 8.439 1.00 2.63 C ATOM 1859 O GLU B 23 -0.483 28.621 8.096 1.00 3.35 O ATOM 1860 CB GLU B 23 1.929 27.346 9.695 1.00 3.24 C ATOM 1861 CG GLU B 23 2.541 27.697 11.067 1.00 4.13 C ATOM 1862 CD GLU B 23 4.075 27.751 11.070 1.00 4.74 C ATOM 1863 OE1 GLU B 23 4.636 28.609 10.361 1.00 4.79 O ATOM 1864 OE2 GLU B 23 4.690 26.952 11.818 1.00 5.83 O ATOM 0 H GLU B 23 0.146 25.108 9.668 1.00 2.36 H new ATOM 0 HA GLU B 23 -0.002 27.930 10.472 1.00 2.79 H new ATOM 0 HB2 GLU B 23 2.375 26.424 9.321 1.00 3.24 H new ATOM 0 HB3 GLU B 23 2.169 28.130 8.977 1.00 3.24 H new ATOM 0 HG2 GLU B 23 2.153 28.663 11.390 1.00 4.13 H new ATOM 0 HG3 GLU B 23 2.212 26.960 11.800 1.00 4.13 H new ATOM 1871 N GLY B 24 -0.770 26.438 7.699 1.00 2.95 N ATOM 1872 CA GLY B 24 -1.645 26.672 6.539 1.00 3.03 C ATOM 1873 C GLY B 24 -2.024 25.428 5.748 1.00 2.58 C ATOM 1874 O GLY B 24 -3.107 24.866 5.928 1.00 3.44 O ATOM 0 H GLY B 24 -0.564 25.456 7.881 1.00 2.95 H new ATOM 0 HA2 GLY B 24 -2.559 27.154 6.886 1.00 3.03 H new ATOM 0 HA3 GLY B 24 -1.150 27.373 5.867 1.00 3.03 H new ATOM 1877 N SER B 25 -1.152 25.029 4.827 1.00 1.81 N ATOM 1878 CA SER B 25 -1.349 23.818 4.027 1.00 1.53 C ATOM 1879 C SER B 25 -1.417 22.572 4.908 1.00 1.46 C ATOM 1880 O SER B 25 -0.652 22.439 5.847 1.00 2.02 O ATOM 1881 CB SER B 25 -0.209 23.663 3.024 1.00 1.93 C ATOM 1882 OG SER B 25 -0.409 22.512 2.228 1.00 2.72 O ATOM 0 H SER B 25 -0.291 25.532 4.612 1.00 1.81 H new ATOM 0 HA SER B 25 -2.297 23.920 3.499 1.00 1.53 H new ATOM 0 HB2 SER B 25 -0.151 24.547 2.389 1.00 1.93 H new ATOM 0 HB3 SER B 25 0.741 23.588 3.552 1.00 1.93 H new ATOM 0 HG SER B 25 0.289 22.463 1.542 1.00 2.72 H new ATOM 1888 N LYS B 26 -2.325 21.640 4.606 1.00 1.23 N ATOM 1889 CA LYS B 26 -2.462 20.365 5.333 1.00 1.26 C ATOM 1890 C LYS B 26 -1.990 19.154 4.499 1.00 1.20 C ATOM 1891 O LYS B 26 -2.107 18.009 4.936 1.00 1.50 O ATOM 1892 CB LYS B 26 -3.924 20.269 5.798 1.00 1.36 C ATOM 1893 CG LYS B 26 -4.136 21.180 7.014 1.00 1.74 C ATOM 1894 CD LYS B 26 -5.605 21.437 7.350 1.00 1.91 C ATOM 1895 CE LYS B 26 -6.250 22.430 6.375 1.00 1.54 C ATOM 1896 NZ LYS B 26 -5.706 23.808 6.497 1.00 2.72 N ATOM 0 H LYS B 26 -2.994 21.746 3.844 1.00 1.23 H new ATOM 0 HA LYS B 26 -1.805 20.343 6.202 1.00 1.26 H new ATOM 0 HB2 LYS B 26 -4.594 20.562 4.990 1.00 1.36 H new ATOM 0 HB3 LYS B 26 -4.168 19.238 6.056 1.00 1.36 H new ATOM 0 HG2 LYS B 26 -3.649 20.732 7.880 1.00 1.74 H new ATOM 0 HG3 LYS B 26 -3.644 22.135 6.830 1.00 1.74 H new ATOM 0 HD2 LYS B 26 -6.153 20.495 7.325 1.00 1.91 H new ATOM 0 HD3 LYS B 26 -5.683 21.824 8.366 1.00 1.91 H new ATOM 0 HE2 LYS B 26 -6.101 22.076 5.355 1.00 1.54 H new ATOM 0 HE3 LYS B 26 -7.326 22.454 6.550 1.00 1.54 H new ATOM 0 HZ1 LYS B 26 -6.291 24.463 5.940 1.00 2.72 H new ATOM 0 HZ2 LYS B 26 -5.717 24.098 7.496 1.00 2.72 H new ATOM 0 HZ3 LYS B 26 -4.729 23.828 6.141 1.00 2.72 H new ATOM 1910 N LEU B 27 -1.427 19.436 3.313 1.00 1.05 N ATOM 1911 CA LEU B 27 -0.867 18.491 2.336 1.00 1.17 C ATOM 1912 C LEU B 27 0.581 18.805 1.896 1.00 1.08 C ATOM 1913 O LEU B 27 1.210 17.953 1.271 1.00 1.22 O ATOM 1914 CB LEU B 27 -1.816 18.360 1.124 1.00 1.42 C ATOM 1915 CG LEU B 27 -2.053 19.596 0.224 1.00 2.83 C ATOM 1916 CD1 LEU B 27 -2.650 19.127 -1.111 1.00 3.07 C ATOM 1917 CD2 LEU B 27 -3.026 20.610 0.853 1.00 4.25 C ATOM 0 H LEU B 27 -1.346 20.400 2.990 1.00 1.05 H new ATOM 0 HA LEU B 27 -0.793 17.531 2.846 1.00 1.17 H new ATOM 0 HB2 LEU B 27 -1.433 17.560 0.491 1.00 1.42 H new ATOM 0 HB3 LEU B 27 -2.786 18.034 1.499 1.00 1.42 H new ATOM 0 HG LEU B 27 -1.091 20.090 0.090 1.00 2.83 H new ATOM 0 HD11 LEU B 27 -2.822 19.989 -1.755 1.00 3.07 H new ATOM 0 HD12 LEU B 27 -1.957 18.442 -1.599 1.00 3.07 H new ATOM 0 HD13 LEU B 27 -3.595 18.617 -0.927 1.00 3.07 H new ATOM 0 HD21 LEU B 27 -3.155 21.457 0.179 1.00 4.25 H new ATOM 0 HD22 LEU B 27 -3.990 20.131 1.024 1.00 4.25 H new ATOM 0 HD23 LEU B 27 -2.622 20.961 1.803 1.00 4.25 H new ATOM 1929 N THR B 28 1.108 19.984 2.258 1.00 0.95 N ATOM 1930 CA THR B 28 2.515 20.388 2.119 1.00 0.84 C ATOM 1931 C THR B 28 3.006 21.004 3.431 1.00 0.78 C ATOM 1932 O THR B 28 2.201 21.285 4.323 1.00 0.90 O ATOM 1933 CB THR B 28 2.755 21.347 0.938 1.00 0.84 C ATOM 1934 OG1 THR B 28 1.963 22.504 1.059 1.00 0.93 O ATOM 1935 CG2 THR B 28 2.444 20.735 -0.428 1.00 0.97 C ATOM 0 H THR B 28 0.536 20.718 2.676 1.00 0.95 H new ATOM 0 HA THR B 28 3.090 19.489 1.897 1.00 0.84 H new ATOM 0 HB THR B 28 3.819 21.579 0.985 1.00 0.84 H new ATOM 0 HG1 THR B 28 2.202 23.139 0.352 1.00 0.93 H new ATOM 0 HG21 THR B 28 2.637 21.471 -1.209 1.00 0.97 H new ATOM 0 HG22 THR B 28 3.076 19.862 -0.588 1.00 0.97 H new ATOM 0 HG23 THR B 28 1.396 20.436 -0.463 1.00 0.97 H new ATOM 1943 N LEU B 29 4.325 21.203 3.528 1.00 0.72 N ATOM 1944 CA LEU B 29 5.095 21.692 4.684 1.00 0.64 C ATOM 1945 C LEU B 29 6.454 22.211 4.205 1.00 0.65 C ATOM 1946 O LEU B 29 6.866 21.897 3.089 1.00 0.81 O ATOM 1947 CB LEU B 29 5.258 20.602 5.780 1.00 0.76 C ATOM 1948 CG LEU B 29 6.207 19.406 5.511 1.00 1.01 C ATOM 1949 CD1 LEU B 29 6.193 18.425 6.699 1.00 1.39 C ATOM 1950 CD2 LEU B 29 5.818 18.597 4.277 1.00 1.15 C ATOM 0 H LEU B 29 4.936 21.011 2.734 1.00 0.72 H new ATOM 0 HA LEU B 29 4.542 22.510 5.146 1.00 0.64 H new ATOM 0 HB2 LEU B 29 5.601 21.097 6.689 1.00 0.76 H new ATOM 0 HB3 LEU B 29 4.269 20.197 5.992 1.00 0.76 H new ATOM 0 HG LEU B 29 7.191 19.850 5.358 1.00 1.01 H new ATOM 0 HD11 LEU B 29 6.865 17.592 6.491 1.00 1.39 H new ATOM 0 HD12 LEU B 29 6.522 18.941 7.601 1.00 1.39 H new ATOM 0 HD13 LEU B 29 5.181 18.047 6.846 1.00 1.39 H new ATOM 0 HD21 LEU B 29 6.521 17.775 4.144 1.00 1.15 H new ATOM 0 HD22 LEU B 29 4.812 18.197 4.406 1.00 1.15 H new ATOM 0 HD23 LEU B 29 5.842 19.241 3.398 1.00 1.15 H new ATOM 1962 N SER B 30 7.178 22.982 5.016 1.00 0.66 N ATOM 1963 CA SER B 30 8.544 23.385 4.626 1.00 0.69 C ATOM 1964 C SER B 30 9.527 22.195 4.678 1.00 0.65 C ATOM 1965 O SER B 30 9.436 21.305 5.530 1.00 0.66 O ATOM 1966 CB SER B 30 9.077 24.575 5.451 1.00 0.85 C ATOM 1967 OG SER B 30 10.403 24.899 5.100 1.00 1.98 O ATOM 0 H SER B 30 6.862 23.334 5.920 1.00 0.66 H new ATOM 0 HA SER B 30 8.473 23.723 3.592 1.00 0.69 H new ATOM 0 HB2 SER B 30 8.436 25.443 5.294 1.00 0.85 H new ATOM 0 HB3 SER B 30 9.030 24.332 6.513 1.00 0.85 H new ATOM 0 HG SER B 30 10.398 25.545 4.363 1.00 1.98 H new ATOM 1973 N ARG B 31 10.550 22.197 3.817 1.00 0.73 N ATOM 1974 CA ARG B 31 11.610 21.178 3.806 1.00 0.76 C ATOM 1975 C ARG B 31 12.435 21.136 5.117 1.00 0.71 C ATOM 1976 O ARG B 31 13.104 20.140 5.414 1.00 0.85 O ATOM 1977 CB ARG B 31 12.408 21.332 2.493 1.00 1.06 C ATOM 1978 CG ARG B 31 13.064 20.025 2.029 1.00 1.66 C ATOM 1979 CD ARG B 31 13.377 20.012 0.525 1.00 1.25 C ATOM 1980 NE ARG B 31 13.541 18.633 0.029 1.00 1.91 N ATOM 1981 CZ ARG B 31 12.982 18.118 -1.062 1.00 2.25 C ATOM 1982 NH1 ARG B 31 12.511 18.848 -2.045 1.00 2.55 N ATOM 1983 NH2 ARG B 31 12.847 16.813 -1.172 1.00 3.10 N ATOM 0 H ARG B 31 10.668 22.913 3.100 1.00 0.73 H new ATOM 0 HA ARG B 31 11.180 20.176 3.802 1.00 0.76 H new ATOM 0 HB2 ARG B 31 11.741 21.694 1.710 1.00 1.06 H new ATOM 0 HB3 ARG B 31 13.180 22.090 2.631 1.00 1.06 H new ATOM 0 HG2 ARG B 31 13.987 19.870 2.588 1.00 1.66 H new ATOM 0 HG3 ARG B 31 12.404 19.190 2.265 1.00 1.66 H new ATOM 0 HD2 ARG B 31 12.573 20.505 -0.021 1.00 1.25 H new ATOM 0 HD3 ARG B 31 14.287 20.581 0.335 1.00 1.25 H new ATOM 0 HE ARG B 31 14.141 18.015 0.575 1.00 1.91 H new ATOM 0 HH11 ARG B 31 12.564 19.865 -1.995 1.00 2.55 H new ATOM 0 HH12 ARG B 31 12.092 18.398 -2.859 1.00 2.55 H new ATOM 0 HH21 ARG B 31 13.171 16.202 -0.422 1.00 3.10 H new ATOM 0 HH22 ARG B 31 12.419 16.413 -2.007 1.00 3.10 H new ATOM 1997 N LYS B 32 12.301 22.161 5.963 1.00 0.76 N ATOM 1998 CA LYS B 32 12.698 22.178 7.378 1.00 0.91 C ATOM 1999 C LYS B 32 11.678 21.464 8.289 1.00 0.99 C ATOM 2000 O LYS B 32 12.112 20.726 9.173 1.00 1.15 O ATOM 2001 CB LYS B 32 12.924 23.656 7.777 1.00 1.05 C ATOM 2002 CG LYS B 32 13.009 23.967 9.280 1.00 2.40 C ATOM 2003 CD LYS B 32 14.141 23.272 10.060 1.00 3.50 C ATOM 2004 CE LYS B 32 13.992 23.645 11.545 1.00 5.14 C ATOM 2005 NZ LYS B 32 14.935 22.921 12.430 1.00 6.93 N ATOM 0 H LYS B 32 11.892 23.047 5.667 1.00 0.76 H new ATOM 0 HA LYS B 32 13.621 21.613 7.512 1.00 0.91 H new ATOM 0 HB2 LYS B 32 13.847 23.996 7.308 1.00 1.05 H new ATOM 0 HB3 LYS B 32 12.114 24.249 7.353 1.00 1.05 H new ATOM 0 HG2 LYS B 32 13.123 25.044 9.400 1.00 2.40 H new ATOM 0 HG3 LYS B 32 12.059 23.694 9.740 1.00 2.40 H new ATOM 0 HD2 LYS B 32 14.085 22.191 9.931 1.00 3.50 H new ATOM 0 HD3 LYS B 32 15.114 23.588 9.683 1.00 3.50 H new ATOM 0 HE2 LYS B 32 14.148 24.718 11.660 1.00 5.14 H new ATOM 0 HE3 LYS B 32 12.971 23.435 11.864 1.00 5.14 H new ATOM 0 HZ1 LYS B 32 14.783 23.217 13.415 1.00 6.93 H new ATOM 0 HZ2 LYS B 32 14.772 21.897 12.347 1.00 6.93 H new ATOM 0 HZ3 LYS B 32 15.912 23.140 12.149 1.00 6.93 H new ATOM 2019 N GLU B 33 10.368 21.626 8.086 1.00 0.94 N ATOM 2020 CA GLU B 33 9.322 20.967 8.879 1.00 1.05 C ATOM 2021 C GLU B 33 9.393 19.437 8.788 1.00 0.98 C ATOM 2022 O GLU B 33 9.291 18.794 9.824 1.00 1.02 O ATOM 2023 CB GLU B 33 7.916 21.442 8.476 1.00 1.26 C ATOM 2024 CG GLU B 33 7.465 22.702 9.212 1.00 1.17 C ATOM 2025 CD GLU B 33 6.065 23.092 8.760 1.00 2.93 C ATOM 2026 OE1 GLU B 33 5.968 23.474 7.573 1.00 4.55 O ATOM 2027 OE2 GLU B 33 5.110 22.920 9.560 1.00 3.65 O ATOM 0 H GLU B 33 9.996 22.230 7.353 1.00 0.94 H new ATOM 0 HA GLU B 33 9.509 21.255 9.914 1.00 1.05 H new ATOM 0 HB2 GLU B 33 7.899 21.632 7.403 1.00 1.26 H new ATOM 0 HB3 GLU B 33 7.201 20.642 8.670 1.00 1.26 H new ATOM 0 HG2 GLU B 33 7.474 22.528 10.288 1.00 1.17 H new ATOM 0 HG3 GLU B 33 8.161 23.518 9.015 1.00 1.17 H new ATOM 2034 N LEU B 34 9.662 18.843 7.616 1.00 0.91 N ATOM 2035 CA LEU B 34 9.918 17.392 7.512 1.00 0.84 C ATOM 2036 C LEU B 34 11.172 16.963 8.289 1.00 0.73 C ATOM 2037 O LEU B 34 11.176 15.940 8.964 1.00 0.72 O ATOM 2038 CB LEU B 34 10.034 16.993 6.029 1.00 0.89 C ATOM 2039 CG LEU B 34 10.445 15.527 5.767 1.00 0.91 C ATOM 2040 CD1 LEU B 34 9.458 14.525 6.377 1.00 1.26 C ATOM 2041 CD2 LEU B 34 10.550 15.269 4.260 1.00 1.13 C ATOM 0 H LEU B 34 9.709 19.340 6.727 1.00 0.91 H new ATOM 0 HA LEU B 34 9.075 16.871 7.966 1.00 0.84 H new ATOM 0 HB2 LEU B 34 9.074 17.175 5.545 1.00 0.89 H new ATOM 0 HB3 LEU B 34 10.762 17.648 5.550 1.00 0.89 H new ATOM 0 HG LEU B 34 11.413 15.381 6.246 1.00 0.91 H new ATOM 0 HD11 LEU B 34 9.792 13.510 6.165 1.00 1.26 H new ATOM 0 HD12 LEU B 34 9.410 14.673 7.456 1.00 1.26 H new ATOM 0 HD13 LEU B 34 8.469 14.679 5.945 1.00 1.26 H new ATOM 0 HD21 LEU B 34 10.840 14.233 4.088 1.00 1.13 H new ATOM 0 HD22 LEU B 34 9.585 15.458 3.790 1.00 1.13 H new ATOM 0 HD23 LEU B 34 11.300 15.932 3.829 1.00 1.13 H new ATOM 2053 N LYS B 35 12.255 17.745 8.237 1.00 0.70 N ATOM 2054 CA LYS B 35 13.452 17.455 9.028 1.00 0.68 C ATOM 2055 C LYS B 35 13.120 17.476 10.530 1.00 0.73 C ATOM 2056 O LYS B 35 13.528 16.577 11.262 1.00 0.87 O ATOM 2057 CB LYS B 35 14.565 18.437 8.625 1.00 0.75 C ATOM 2058 CG LYS B 35 15.783 18.296 9.546 1.00 1.19 C ATOM 2059 CD LYS B 35 16.978 19.121 9.068 1.00 1.37 C ATOM 2060 CE LYS B 35 17.601 18.486 7.815 1.00 2.57 C ATOM 2061 NZ LYS B 35 18.968 18.989 7.524 1.00 3.32 N ATOM 0 H LYS B 35 12.326 18.581 7.657 1.00 0.70 H new ATOM 0 HA LYS B 35 13.819 16.449 8.822 1.00 0.68 H new ATOM 0 HB2 LYS B 35 14.862 18.252 7.593 1.00 0.75 H new ATOM 0 HB3 LYS B 35 14.187 19.458 8.670 1.00 0.75 H new ATOM 0 HG2 LYS B 35 15.510 18.608 10.554 1.00 1.19 H new ATOM 0 HG3 LYS B 35 16.071 17.246 9.604 1.00 1.19 H new ATOM 0 HD2 LYS B 35 16.660 20.140 8.847 1.00 1.37 H new ATOM 0 HD3 LYS B 35 17.724 19.185 9.860 1.00 1.37 H new ATOM 0 HE2 LYS B 35 17.638 17.404 7.944 1.00 2.57 H new ATOM 0 HE3 LYS B 35 16.958 18.683 6.957 1.00 2.57 H new ATOM 0 HZ1 LYS B 35 19.393 18.419 6.765 1.00 3.32 H new ATOM 0 HZ2 LYS B 35 18.915 19.983 7.223 1.00 3.32 H new ATOM 0 HZ3 LYS B 35 19.554 18.917 8.380 1.00 3.32 H new ATOM 2075 N GLU B 36 12.331 18.452 10.955 1.00 0.72 N ATOM 2076 CA GLU B 36 11.820 18.543 12.315 1.00 0.80 C ATOM 2077 C GLU B 36 10.909 17.360 12.639 1.00 0.78 C ATOM 2078 O GLU B 36 11.060 16.769 13.700 1.00 0.83 O ATOM 2079 CB GLU B 36 11.116 19.895 12.512 1.00 0.98 C ATOM 2080 CG GLU B 36 11.494 20.553 13.849 1.00 1.08 C ATOM 2081 CD GLU B 36 12.909 21.149 13.804 1.00 2.10 C ATOM 2082 OE1 GLU B 36 13.796 20.605 13.107 1.00 3.23 O ATOM 2083 OE2 GLU B 36 13.134 22.228 14.394 1.00 2.77 O ATOM 0 H GLU B 36 12.023 19.216 10.354 1.00 0.72 H new ATOM 0 HA GLU B 36 12.652 18.492 13.018 1.00 0.80 H new ATOM 0 HB2 GLU B 36 11.379 20.563 11.692 1.00 0.98 H new ATOM 0 HB3 GLU B 36 10.036 19.751 12.472 1.00 0.98 H new ATOM 0 HG2 GLU B 36 10.775 21.338 14.085 1.00 1.08 H new ATOM 0 HG3 GLU B 36 11.435 19.815 14.649 1.00 1.08 H new ATOM 2090 N LEU B 37 10.047 16.920 11.717 1.00 0.85 N ATOM 2091 CA LEU B 37 9.194 15.747 11.896 1.00 0.93 C ATOM 2092 C LEU B 37 10.022 14.508 12.298 1.00 0.83 C ATOM 2093 O LEU B 37 9.703 13.817 13.267 1.00 0.92 O ATOM 2094 CB LEU B 37 8.399 15.515 10.593 1.00 1.13 C ATOM 2095 CG LEU B 37 7.310 14.437 10.687 1.00 1.02 C ATOM 2096 CD1 LEU B 37 6.053 14.964 11.363 1.00 1.04 C ATOM 2097 CD2 LEU B 37 6.928 13.946 9.287 1.00 1.74 C ATOM 0 H LEU B 37 9.922 17.377 10.814 1.00 0.85 H new ATOM 0 HA LEU B 37 8.494 15.921 12.713 1.00 0.93 H new ATOM 0 HB2 LEU B 37 7.935 16.455 10.295 1.00 1.13 H new ATOM 0 HB3 LEU B 37 9.097 15.239 9.802 1.00 1.13 H new ATOM 0 HG LEU B 37 7.720 13.621 11.282 1.00 1.02 H new ATOM 0 HD11 LEU B 37 5.306 14.172 11.411 1.00 1.04 H new ATOM 0 HD12 LEU B 37 6.295 15.296 12.373 1.00 1.04 H new ATOM 0 HD13 LEU B 37 5.656 15.803 10.791 1.00 1.04 H new ATOM 0 HD21 LEU B 37 6.155 13.182 9.368 1.00 1.74 H new ATOM 0 HD22 LEU B 37 6.551 14.782 8.698 1.00 1.74 H new ATOM 0 HD23 LEU B 37 7.806 13.524 8.797 1.00 1.74 H new ATOM 2109 N ILE B 38 11.137 14.281 11.600 1.00 0.74 N ATOM 2110 CA ILE B 38 12.101 13.185 11.833 1.00 0.90 C ATOM 2111 C ILE B 38 12.887 13.346 13.159 1.00 0.92 C ATOM 2112 O ILE B 38 13.483 12.390 13.649 1.00 1.44 O ATOM 2113 CB ILE B 38 13.019 13.059 10.587 1.00 1.00 C ATOM 2114 CG1 ILE B 38 12.209 12.833 9.285 1.00 1.22 C ATOM 2115 CG2 ILE B 38 14.044 11.915 10.712 1.00 1.55 C ATOM 2116 CD1 ILE B 38 12.929 13.445 8.080 1.00 1.42 C ATOM 0 H ILE B 38 11.412 14.879 10.820 1.00 0.74 H new ATOM 0 HA ILE B 38 11.555 12.250 11.961 1.00 0.90 H new ATOM 0 HB ILE B 38 13.548 14.011 10.536 1.00 1.00 H new ATOM 0 HG12 ILE B 38 12.064 11.765 9.123 1.00 1.22 H new ATOM 0 HG13 ILE B 38 11.219 13.277 9.386 1.00 1.22 H new ATOM 0 HG21 ILE B 38 14.657 11.876 9.812 1.00 1.55 H new ATOM 0 HG22 ILE B 38 14.682 12.091 11.578 1.00 1.55 H new ATOM 0 HG23 ILE B 38 13.519 10.968 10.835 1.00 1.55 H new ATOM 0 HD11 ILE B 38 12.341 13.273 7.179 1.00 1.42 H new ATOM 0 HD12 ILE B 38 13.051 14.517 8.235 1.00 1.42 H new ATOM 0 HD13 ILE B 38 13.909 12.981 7.968 1.00 1.42 H new ATOM 2128 N LYS B 39 12.887 14.532 13.772 1.00 0.74 N ATOM 2129 CA LYS B 39 13.509 14.810 15.063 1.00 0.98 C ATOM 2130 C LYS B 39 12.533 15.053 16.231 1.00 1.04 C ATOM 2131 O LYS B 39 12.980 15.120 17.378 1.00 1.30 O ATOM 2132 CB LYS B 39 14.417 16.022 14.822 1.00 1.24 C ATOM 2133 CG LYS B 39 15.680 15.728 13.986 1.00 1.57 C ATOM 2134 CD LYS B 39 16.516 14.519 14.445 1.00 1.51 C ATOM 2135 CE LYS B 39 16.910 14.613 15.927 1.00 2.49 C ATOM 2136 NZ LYS B 39 17.589 13.379 16.381 1.00 2.66 N ATOM 0 H LYS B 39 12.437 15.353 13.366 1.00 0.74 H new ATOM 0 HA LYS B 39 14.054 13.926 15.394 1.00 0.98 H new ATOM 0 HB2 LYS B 39 13.839 16.798 14.320 1.00 1.24 H new ATOM 0 HB3 LYS B 39 14.723 16.427 15.787 1.00 1.24 H new ATOM 0 HG2 LYS B 39 15.379 15.567 12.951 1.00 1.57 H new ATOM 0 HG3 LYS B 39 16.316 16.613 13.999 1.00 1.57 H new ATOM 0 HD2 LYS B 39 15.948 13.603 14.279 1.00 1.51 H new ATOM 0 HD3 LYS B 39 17.417 14.450 13.835 1.00 1.51 H new ATOM 0 HE2 LYS B 39 17.568 15.469 16.077 1.00 2.49 H new ATOM 0 HE3 LYS B 39 16.020 14.785 16.532 1.00 2.49 H new ATOM 0 HZ1 LYS B 39 18.007 13.538 17.320 1.00 2.66 H new ATOM 0 HZ2 LYS B 39 16.899 12.603 16.436 1.00 2.66 H new ATOM 0 HZ3 LYS B 39 18.340 13.128 15.707 1.00 2.66 H new ATOM 2150 N LYS B 40 11.226 15.229 15.974 1.00 0.91 N ATOM 2151 CA LYS B 40 10.178 15.445 16.988 1.00 1.10 C ATOM 2152 C LYS B 40 9.170 14.299 17.123 1.00 1.24 C ATOM 2153 O LYS B 40 8.669 14.070 18.219 1.00 1.58 O ATOM 2154 CB LYS B 40 9.403 16.735 16.665 1.00 1.15 C ATOM 2155 CG LYS B 40 10.247 18.014 16.576 1.00 1.42 C ATOM 2156 CD LYS B 40 11.259 18.244 17.696 1.00 1.41 C ATOM 2157 CE LYS B 40 10.648 18.920 18.926 1.00 2.01 C ATOM 2158 NZ LYS B 40 9.675 18.043 19.624 1.00 4.16 N ATOM 0 H LYS B 40 10.857 15.225 15.023 1.00 0.91 H new ATOM 0 HA LYS B 40 10.707 15.511 17.939 1.00 1.10 H new ATOM 0 HB2 LYS B 40 8.884 16.597 15.716 1.00 1.15 H new ATOM 0 HB3 LYS B 40 8.639 16.879 17.429 1.00 1.15 H new ATOM 0 HG2 LYS B 40 10.785 18.002 15.628 1.00 1.42 H new ATOM 0 HG3 LYS B 40 9.570 18.868 16.548 1.00 1.42 H new ATOM 0 HD2 LYS B 40 11.690 17.287 17.991 1.00 1.41 H new ATOM 0 HD3 LYS B 40 12.076 18.859 17.319 1.00 1.41 H new ATOM 0 HE2 LYS B 40 11.443 19.199 19.617 1.00 2.01 H new ATOM 0 HE3 LYS B 40 10.151 19.841 18.622 1.00 2.01 H new ATOM 0 HZ1 LYS B 40 9.608 18.325 20.623 1.00 4.16 H new ATOM 0 HZ2 LYS B 40 8.741 18.134 19.175 1.00 4.16 H new ATOM 0 HZ3 LYS B 40 9.993 17.055 19.564 1.00 4.16 H new ATOM 2172 N GLU B 41 8.878 13.636 16.006 1.00 1.07 N ATOM 2173 CA GLU B 41 7.943 12.501 15.897 1.00 1.27 C ATOM 2174 C GLU B 41 8.661 11.163 15.677 1.00 1.26 C ATOM 2175 O GLU B 41 8.096 10.116 15.994 1.00 1.47 O ATOM 2176 CB GLU B 41 6.932 12.716 14.760 1.00 1.69 C ATOM 2177 CG GLU B 41 6.132 14.014 14.891 1.00 2.38 C ATOM 2178 CD GLU B 41 5.324 14.111 16.181 1.00 4.19 C ATOM 2179 OE1 GLU B 41 4.719 13.098 16.599 1.00 4.76 O ATOM 2180 OE2 GLU B 41 5.155 15.240 16.702 1.00 5.63 O ATOM 0 H GLU B 41 9.301 13.880 15.110 1.00 1.07 H new ATOM 0 HA GLU B 41 7.419 12.457 16.852 1.00 1.27 H new ATOM 0 HB2 GLU B 41 7.463 12.721 13.808 1.00 1.69 H new ATOM 0 HB3 GLU B 41 6.241 11.874 14.735 1.00 1.69 H new ATOM 0 HG2 GLU B 41 6.818 14.860 14.838 1.00 2.38 H new ATOM 0 HG3 GLU B 41 5.454 14.100 14.041 1.00 2.38 H new ATOM 2187 N LEU B 42 9.902 11.183 15.180 1.00 1.24 N ATOM 2188 CA LEU B 42 10.963 10.265 15.565 1.00 1.25 C ATOM 2189 C LEU B 42 11.883 10.975 16.575 1.00 1.56 C ATOM 2190 O LEU B 42 11.827 12.196 16.733 1.00 2.22 O ATOM 2191 CB LEU B 42 11.762 9.891 14.300 1.00 1.45 C ATOM 2192 CG LEU B 42 11.544 8.483 13.741 1.00 1.62 C ATOM 2193 CD1 LEU B 42 12.018 7.407 14.732 1.00 2.23 C ATOM 2194 CD2 LEU B 42 10.094 8.243 13.316 1.00 3.20 C ATOM 0 H LEU B 42 10.198 11.861 14.478 1.00 1.24 H new ATOM 0 HA LEU B 42 10.553 9.363 16.020 1.00 1.25 H new ATOM 0 HB2 LEU B 42 11.517 10.609 13.518 1.00 1.45 H new ATOM 0 HB3 LEU B 42 12.823 10.009 14.520 1.00 1.45 H new ATOM 0 HG LEU B 42 12.155 8.405 12.842 1.00 1.62 H new ATOM 0 HD11 LEU B 42 11.849 6.419 14.304 1.00 2.23 H new ATOM 0 HD12 LEU B 42 13.081 7.539 14.931 1.00 2.23 H new ATOM 0 HD13 LEU B 42 11.460 7.499 15.664 1.00 2.23 H new ATOM 0 HD21 LEU B 42 9.992 7.230 12.927 1.00 3.20 H new ATOM 0 HD22 LEU B 42 9.437 8.369 14.177 1.00 3.20 H new ATOM 0 HD23 LEU B 42 9.819 8.959 12.542 1.00 3.20 H new ATOM 2206 N CYS B 43 12.786 10.208 17.193 1.00 1.56 N ATOM 2207 CA CYS B 43 14.016 10.758 17.772 1.00 1.95 C ATOM 2208 C CYS B 43 15.248 10.350 16.979 1.00 2.42 C ATOM 2209 O CYS B 43 15.907 11.200 16.372 1.00 4.02 O ATOM 2210 CB CYS B 43 14.122 10.433 19.266 1.00 2.04 C ATOM 2211 SG CYS B 43 15.475 11.440 19.930 1.00 3.60 S ATOM 0 H CYS B 43 12.688 9.199 17.306 1.00 1.56 H new ATOM 0 HA CYS B 43 13.965 11.844 17.698 1.00 1.95 H new ATOM 0 HB2 CYS B 43 13.186 10.658 19.777 1.00 2.04 H new ATOM 0 HB3 CYS B 43 14.320 9.372 19.417 1.00 2.04 H new ATOM 0 HG CYS B 43 16.297 10.680 20.591 1.00 3.60 H new ATOM 2217 N LEU B 44 15.542 9.057 16.970 1.00 1.72 N ATOM 2218 CA LEU B 44 16.504 8.381 16.136 1.00 2.13 C ATOM 2219 C LEU B 44 17.974 8.563 16.568 1.00 2.40 C ATOM 2220 O LEU B 44 18.831 7.792 16.144 1.00 3.23 O ATOM 2221 CB LEU B 44 16.265 8.720 14.652 1.00 2.78 C ATOM 2222 CG LEU B 44 16.582 7.493 13.790 1.00 2.76 C ATOM 2223 CD1 LEU B 44 15.342 6.623 13.564 1.00 2.99 C ATOM 2224 CD2 LEU B 44 17.181 7.919 12.447 1.00 4.01 C ATOM 0 H LEU B 44 15.071 8.408 17.600 1.00 1.72 H new ATOM 0 HA LEU B 44 16.332 7.314 16.274 1.00 2.13 H new ATOM 0 HB2 LEU B 44 15.230 9.027 14.500 1.00 2.78 H new ATOM 0 HB3 LEU B 44 16.893 9.559 14.354 1.00 2.78 H new ATOM 0 HG LEU B 44 17.315 6.895 14.332 1.00 2.76 H new ATOM 0 HD11 LEU B 44 15.608 5.763 12.949 1.00 2.99 H new ATOM 0 HD12 LEU B 44 14.960 6.277 14.525 1.00 2.99 H new ATOM 0 HD13 LEU B 44 14.574 7.208 13.058 1.00 2.99 H new ATOM 0 HD21 LEU B 44 17.399 7.034 11.849 1.00 4.01 H new ATOM 0 HD22 LEU B 44 16.469 8.550 11.915 1.00 4.01 H new ATOM 0 HD23 LEU B 44 18.102 8.477 12.620 1.00 4.01 H new ATOM 2236 N GLY B 45 18.271 9.548 17.424 1.00 2.42 N ATOM 2237 CA GLY B 45 19.635 9.901 17.855 1.00 2.83 C ATOM 2238 C GLY B 45 20.257 8.934 18.868 1.00 2.56 C ATOM 2239 O GLY B 45 21.423 9.082 19.211 1.00 3.14 O ATOM 0 H GLY B 45 17.555 10.138 17.848 1.00 2.42 H new ATOM 0 HA2 GLY B 45 20.278 9.948 16.976 1.00 2.83 H new ATOM 0 HA3 GLY B 45 19.617 10.900 18.291 1.00 2.83 H new ATOM 2242 N GLU B 46 19.484 7.954 19.323 1.00 2.55 N ATOM 2243 CA GLU B 46 19.844 6.804 20.153 1.00 3.12 C ATOM 2244 C GLU B 46 19.723 5.478 19.369 1.00 3.21 C ATOM 2245 O GLU B 46 19.793 4.397 19.947 1.00 4.35 O ATOM 2246 CB GLU B 46 18.980 6.810 21.432 1.00 3.86 C ATOM 2247 CG GLU B 46 17.470 6.635 21.204 1.00 4.03 C ATOM 2248 CD GLU B 46 16.834 7.813 20.467 1.00 4.15 C ATOM 2249 OE1 GLU B 46 16.571 8.848 21.102 1.00 5.02 O ATOM 2250 OE2 GLU B 46 16.721 7.731 19.224 1.00 4.18 O ATOM 0 H GLU B 46 18.489 7.942 19.098 1.00 2.55 H new ATOM 0 HA GLU B 46 20.891 6.885 20.444 1.00 3.12 H new ATOM 0 HB2 GLU B 46 19.327 6.012 22.089 1.00 3.86 H new ATOM 0 HB3 GLU B 46 19.145 7.750 21.958 1.00 3.86 H new ATOM 0 HG2 GLU B 46 17.298 5.722 20.634 1.00 4.03 H new ATOM 0 HG3 GLU B 46 16.976 6.507 22.167 1.00 4.03 H new ATOM 2257 N MET B 47 19.502 5.553 18.047 1.00 2.46 N ATOM 2258 CA MET B 47 19.319 4.404 17.154 1.00 2.86 C ATOM 2259 C MET B 47 20.343 4.410 16.009 1.00 2.40 C ATOM 2260 O MET B 47 20.930 3.377 15.689 1.00 2.96 O ATOM 2261 CB MET B 47 17.892 4.438 16.571 1.00 3.45 C ATOM 2262 CG MET B 47 16.774 4.457 17.623 1.00 4.04 C ATOM 2263 SD MET B 47 15.124 4.831 16.973 1.00 4.53 S ATOM 2264 CE MET B 47 14.897 3.519 15.752 1.00 3.58 C ATOM 0 H MET B 47 19.444 6.446 17.557 1.00 2.46 H new ATOM 0 HA MET B 47 19.470 3.493 17.733 1.00 2.86 H new ATOM 0 HB2 MET B 47 17.793 5.320 15.938 1.00 3.45 H new ATOM 0 HB3 MET B 47 17.755 3.568 15.929 1.00 3.45 H new ATOM 0 HG2 MET B 47 16.743 3.486 18.117 1.00 4.04 H new ATOM 0 HG3 MET B 47 17.024 5.195 18.385 1.00 4.04 H new ATOM 0 HE1 MET B 47 13.889 3.576 15.340 1.00 3.58 H new ATOM 0 HE2 MET B 47 15.625 3.639 14.949 1.00 3.58 H new ATOM 0 HE3 MET B 47 15.040 2.549 16.229 1.00 3.58 H new ATOM 2274 N LYS B 48 20.477 5.552 15.320 1.00 2.01 N ATOM 2275 CA LYS B 48 21.098 5.727 14.033 1.00 2.01 C ATOM 2276 C LYS B 48 21.710 7.143 13.860 1.00 2.28 C ATOM 2277 O LYS B 48 21.102 8.137 14.253 1.00 3.04 O ATOM 2278 CB LYS B 48 19.903 5.525 13.090 1.00 2.41 C ATOM 2279 CG LYS B 48 20.193 4.575 11.964 1.00 2.63 C ATOM 2280 CD LYS B 48 20.554 3.119 12.317 1.00 2.74 C ATOM 2281 CE LYS B 48 19.506 2.368 13.151 1.00 3.56 C ATOM 2282 NZ LYS B 48 19.799 0.907 13.224 1.00 4.59 N ATOM 0 H LYS B 48 20.122 6.434 15.690 1.00 2.01 H new ATOM 0 HA LYS B 48 21.935 5.050 13.860 1.00 2.01 H new ATOM 0 HB2 LYS B 48 19.055 5.151 13.663 1.00 2.41 H new ATOM 0 HB3 LYS B 48 19.608 6.489 12.676 1.00 2.41 H new ATOM 0 HG2 LYS B 48 19.319 4.553 11.313 1.00 2.63 H new ATOM 0 HG3 LYS B 48 21.015 4.990 11.381 1.00 2.63 H new ATOM 0 HD2 LYS B 48 20.720 2.568 11.391 1.00 2.74 H new ATOM 0 HD3 LYS B 48 21.498 3.118 12.863 1.00 2.74 H new ATOM 0 HE2 LYS B 48 19.477 2.784 14.158 1.00 3.56 H new ATOM 0 HE3 LYS B 48 18.518 2.519 12.715 1.00 3.56 H new ATOM 0 HZ1 LYS B 48 19.211 0.471 13.963 1.00 4.59 H new ATOM 0 HZ2 LYS B 48 19.588 0.464 12.307 1.00 4.59 H new ATOM 0 HZ3 LYS B 48 20.803 0.765 13.453 1.00 4.59 H new ATOM 2296 N GLU B 49 22.894 7.231 13.248 1.00 2.14 N ATOM 2297 CA GLU B 49 23.725 8.452 13.230 1.00 2.61 C ATOM 2298 C GLU B 49 24.157 8.828 11.793 1.00 2.17 C ATOM 2299 O GLU B 49 23.469 9.561 11.094 1.00 2.86 O ATOM 2300 CB GLU B 49 24.963 8.226 14.119 1.00 3.45 C ATOM 2301 CG GLU B 49 24.703 7.839 15.578 1.00 4.48 C ATOM 2302 CD GLU B 49 25.796 6.862 15.987 1.00 5.72 C ATOM 2303 OE1 GLU B 49 25.643 5.672 15.629 1.00 6.49 O ATOM 2304 OE2 GLU B 49 26.813 7.334 16.534 1.00 6.56 O ATOM 0 H GLU B 49 23.313 6.450 12.743 1.00 2.14 H new ATOM 0 HA GLU B 49 23.134 9.282 13.616 1.00 2.61 H new ATOM 0 HB2 GLU B 49 25.571 7.444 13.663 1.00 3.45 H new ATOM 0 HB3 GLU B 49 25.559 9.139 14.110 1.00 3.45 H new ATOM 0 HG2 GLU B 49 24.716 8.721 16.218 1.00 4.48 H new ATOM 0 HG3 GLU B 49 23.719 7.382 15.685 1.00 4.48 H new ATOM 2311 N SER B 50 25.302 8.321 11.330 1.00 2.11 N ATOM 2312 CA SER B 50 25.749 8.500 9.950 1.00 1.95 C ATOM 2313 C SER B 50 24.911 7.664 8.970 1.00 2.08 C ATOM 2314 O SER B 50 24.059 6.864 9.364 1.00 3.33 O ATOM 2315 CB SER B 50 27.243 8.168 9.852 1.00 2.29 C ATOM 2316 OG SER B 50 27.791 8.626 8.627 1.00 2.70 O ATOM 0 H SER B 50 25.945 7.775 11.903 1.00 2.11 H new ATOM 0 HA SER B 50 25.604 9.542 9.664 1.00 1.95 H new ATOM 0 HB2 SER B 50 27.775 8.626 10.685 1.00 2.29 H new ATOM 0 HB3 SER B 50 27.385 7.091 9.937 1.00 2.29 H new ATOM 0 HG SER B 50 28.745 8.403 8.592 1.00 2.70 H new ATOM 2322 N SER B 51 25.117 7.900 7.673 1.00 1.62 N ATOM 2323 CA SER B 51 24.364 7.337 6.537 1.00 1.75 C ATOM 2324 C SER B 51 22.930 7.874 6.442 1.00 1.60 C ATOM 2325 O SER B 51 22.475 8.161 5.339 1.00 1.87 O ATOM 2326 CB SER B 51 24.353 5.798 6.545 1.00 2.12 C ATOM 2327 OG SER B 51 25.672 5.282 6.568 1.00 2.71 O ATOM 0 H SER B 51 25.859 8.527 7.362 1.00 1.62 H new ATOM 0 HA SER B 51 24.901 7.671 5.649 1.00 1.75 H new ATOM 0 HB2 SER B 51 23.803 5.439 7.415 1.00 2.12 H new ATOM 0 HB3 SER B 51 23.830 5.430 5.663 1.00 2.12 H new ATOM 0 HG SER B 51 25.640 4.303 6.574 1.00 2.71 H new ATOM 2333 N ILE B 52 22.219 8.061 7.563 1.00 1.50 N ATOM 2334 CA ILE B 52 20.891 8.710 7.573 1.00 1.51 C ATOM 2335 C ILE B 52 20.965 10.234 7.490 1.00 1.34 C ATOM 2336 O ILE B 52 19.999 10.873 7.080 1.00 1.43 O ATOM 2337 CB ILE B 52 20.003 8.209 8.739 1.00 1.75 C ATOM 2338 CG1 ILE B 52 20.508 8.444 10.177 1.00 2.17 C ATOM 2339 CG2 ILE B 52 19.763 6.703 8.545 1.00 2.21 C ATOM 2340 CD1 ILE B 52 20.325 9.876 10.701 1.00 2.03 C ATOM 0 H ILE B 52 22.542 7.770 8.486 1.00 1.50 H new ATOM 0 HA ILE B 52 20.395 8.398 6.654 1.00 1.51 H new ATOM 0 HB ILE B 52 19.102 8.819 8.674 1.00 1.75 H new ATOM 0 HG12 ILE B 52 19.987 7.759 10.846 1.00 2.17 H new ATOM 0 HG13 ILE B 52 21.567 8.189 10.221 1.00 2.17 H new ATOM 0 HG21 ILE B 52 19.139 6.327 9.356 1.00 2.21 H new ATOM 0 HG22 ILE B 52 19.261 6.534 7.592 1.00 2.21 H new ATOM 0 HG23 ILE B 52 20.719 6.179 8.549 1.00 2.21 H new ATOM 0 HD11 ILE B 52 20.709 9.943 11.719 1.00 2.03 H new ATOM 0 HD12 ILE B 52 20.870 10.570 10.061 1.00 2.03 H new ATOM 0 HD13 ILE B 52 19.266 10.133 10.696 1.00 2.03 H new ATOM 2352 N ASP B 53 22.109 10.824 7.835 1.00 1.22 N ATOM 2353 CA ASP B 53 22.324 12.268 7.720 1.00 1.23 C ATOM 2354 C ASP B 53 22.596 12.732 6.276 1.00 1.18 C ATOM 2355 O ASP B 53 22.459 13.917 6.003 1.00 1.19 O ATOM 2356 CB ASP B 53 23.405 12.739 8.701 1.00 1.46 C ATOM 2357 CG ASP B 53 23.340 14.260 8.963 1.00 1.99 C ATOM 2358 OD1 ASP B 53 22.240 14.758 9.311 1.00 2.90 O ATOM 2359 OD2 ASP B 53 24.401 14.914 8.858 1.00 2.54 O ATOM 0 H ASP B 53 22.913 10.315 8.202 1.00 1.22 H new ATOM 0 HA ASP B 53 21.387 12.750 7.999 1.00 1.23 H new ATOM 0 HB2 ASP B 53 23.293 12.205 9.645 1.00 1.46 H new ATOM 0 HB3 ASP B 53 24.388 12.483 8.305 1.00 1.46 H new ATOM 2364 N ASP B 54 22.891 11.830 5.326 1.00 1.26 N ATOM 2365 CA ASP B 54 22.874 12.161 3.884 1.00 1.33 C ATOM 2366 C ASP B 54 21.467 12.565 3.430 1.00 1.15 C ATOM 2367 O ASP B 54 21.283 13.569 2.733 1.00 1.18 O ATOM 2368 CB ASP B 54 23.340 10.976 3.019 1.00 1.63 C ATOM 2369 CG ASP B 54 23.196 11.308 1.522 1.00 1.99 C ATOM 2370 OD1 ASP B 54 22.090 11.094 0.964 1.00 3.17 O ATOM 2371 OD2 ASP B 54 24.176 11.841 0.952 1.00 2.08 O ATOM 0 H ASP B 54 23.145 10.863 5.527 1.00 1.26 H new ATOM 0 HA ASP B 54 23.564 12.995 3.751 1.00 1.33 H new ATOM 0 HB2 ASP B 54 24.379 10.740 3.246 1.00 1.63 H new ATOM 0 HB3 ASP B 54 22.752 10.090 3.259 1.00 1.63 H new ATOM 2376 N LEU B 55 20.467 11.795 3.871 1.00 1.05 N ATOM 2377 CA LEU B 55 19.057 12.071 3.623 1.00 0.96 C ATOM 2378 C LEU B 55 18.735 13.440 4.239 1.00 0.89 C ATOM 2379 O LEU B 55 18.231 14.332 3.550 1.00 0.87 O ATOM 2380 CB LEU B 55 18.183 10.940 4.206 1.00 0.93 C ATOM 2381 CG LEU B 55 18.580 9.502 3.817 1.00 1.11 C ATOM 2382 CD1 LEU B 55 17.590 8.511 4.447 1.00 1.11 C ATOM 2383 CD2 LEU B 55 18.617 9.319 2.293 1.00 1.25 C ATOM 0 H LEU B 55 20.622 10.949 4.419 1.00 1.05 H new ATOM 0 HA LEU B 55 18.842 12.105 2.555 1.00 0.96 H new ATOM 0 HB2 LEU B 55 18.202 11.018 5.293 1.00 0.93 H new ATOM 0 HB3 LEU B 55 17.153 11.107 3.892 1.00 0.93 H new ATOM 0 HG LEU B 55 19.584 9.309 4.195 1.00 1.11 H new ATOM 0 HD11 LEU B 55 17.869 7.494 4.173 1.00 1.11 H new ATOM 0 HD12 LEU B 55 17.613 8.614 5.532 1.00 1.11 H new ATOM 0 HD13 LEU B 55 16.584 8.721 4.084 1.00 1.11 H new ATOM 0 HD21 LEU B 55 18.901 8.293 2.056 1.00 1.25 H new ATOM 0 HD22 LEU B 55 17.631 9.528 1.877 1.00 1.25 H new ATOM 0 HD23 LEU B 55 19.346 10.005 1.862 1.00 1.25 H new ATOM 2395 N MET B 56 19.112 13.663 5.502 1.00 0.94 N ATOM 2396 CA MET B 56 18.913 14.958 6.166 1.00 1.00 C ATOM 2397 C MET B 56 19.622 16.103 5.436 1.00 1.09 C ATOM 2398 O MET B 56 19.043 17.185 5.306 1.00 1.19 O ATOM 2399 CB MET B 56 19.384 14.869 7.620 1.00 1.09 C ATOM 2400 CG MET B 56 18.516 13.916 8.441 1.00 1.15 C ATOM 2401 SD MET B 56 16.809 14.491 8.667 1.00 1.51 S ATOM 2402 CE MET B 56 16.735 14.351 10.464 1.00 1.63 C ATOM 0 H MET B 56 19.560 12.959 6.089 1.00 0.94 H new ATOM 0 HA MET B 56 17.847 15.184 6.141 1.00 1.00 H new ATOM 0 HB2 MET B 56 20.420 14.531 7.646 1.00 1.09 H new ATOM 0 HB3 MET B 56 19.361 15.861 8.071 1.00 1.09 H new ATOM 0 HG2 MET B 56 18.500 12.942 7.952 1.00 1.15 H new ATOM 0 HG3 MET B 56 18.974 13.774 9.420 1.00 1.15 H new ATOM 0 HE1 MET B 56 15.763 14.696 10.816 1.00 1.63 H new ATOM 0 HE2 MET B 56 16.877 13.310 10.754 1.00 1.63 H new ATOM 0 HE3 MET B 56 17.520 14.962 10.909 1.00 1.63 H new ATOM 2412 N LYS B 57 20.823 15.874 4.897 1.00 1.13 N ATOM 2413 CA LYS B 57 21.579 16.804 4.043 1.00 1.27 C ATOM 2414 C LYS B 57 20.921 17.060 2.683 1.00 1.21 C ATOM 2415 O LYS B 57 21.066 18.114 2.073 1.00 1.34 O ATOM 2416 CB LYS B 57 23.029 16.299 3.851 1.00 1.52 C ATOM 2417 CG LYS B 57 23.994 17.042 4.782 1.00 1.63 C ATOM 2418 CD LYS B 57 24.150 18.487 4.287 1.00 1.98 C ATOM 2419 CE LYS B 57 24.672 19.391 5.411 1.00 2.91 C ATOM 2420 NZ LYS B 57 24.488 20.836 5.111 1.00 4.22 N ATOM 0 H LYS B 57 21.320 14.996 5.049 1.00 1.13 H new ATOM 0 HA LYS B 57 21.586 17.761 4.565 1.00 1.27 H new ATOM 0 HB2 LYS B 57 23.075 15.229 4.052 1.00 1.52 H new ATOM 0 HB3 LYS B 57 23.334 16.442 2.814 1.00 1.52 H new ATOM 0 HG2 LYS B 57 23.614 17.033 5.804 1.00 1.63 H new ATOM 0 HG3 LYS B 57 24.963 16.542 4.797 1.00 1.63 H new ATOM 0 HD2 LYS B 57 24.838 18.515 3.442 1.00 1.98 H new ATOM 0 HD3 LYS B 57 23.190 18.860 3.929 1.00 1.98 H new ATOM 0 HE2 LYS B 57 24.155 19.147 6.339 1.00 2.91 H new ATOM 0 HE3 LYS B 57 25.731 19.189 5.574 1.00 2.91 H new ATOM 0 HZ1 LYS B 57 25.270 21.380 5.528 1.00 4.22 H new ATOM 0 HZ2 LYS B 57 24.479 20.978 4.081 1.00 4.22 H new ATOM 0 HZ3 LYS B 57 23.586 21.162 5.514 1.00 4.22 H new ATOM 2434 N SER B 58 20.164 16.090 2.218 1.00 1.10 N ATOM 2435 CA SER B 58 19.326 16.140 1.027 1.00 1.13 C ATOM 2436 C SER B 58 17.983 16.863 1.222 1.00 1.13 C ATOM 2437 O SER B 58 17.455 17.380 0.241 1.00 1.29 O ATOM 2438 CB SER B 58 19.179 14.738 0.418 1.00 1.18 C ATOM 2439 OG SER B 58 20.439 14.306 -0.081 1.00 2.12 O ATOM 0 H SER B 58 20.110 15.186 2.687 1.00 1.10 H new ATOM 0 HA SER B 58 19.846 16.769 0.305 1.00 1.13 H new ATOM 0 HB2 SER B 58 18.814 14.039 1.171 1.00 1.18 H new ATOM 0 HB3 SER B 58 18.443 14.754 -0.386 1.00 1.18 H new ATOM 0 HG SER B 58 20.985 13.967 0.659 1.00 2.12 H new ATOM 2445 N LEU B 59 17.479 17.009 2.457 1.00 1.04 N ATOM 2446 CA LEU B 59 16.507 18.069 2.789 1.00 1.06 C ATOM 2447 C LEU B 59 17.185 19.434 2.937 1.00 1.17 C ATOM 2448 O LEU B 59 16.637 20.452 2.520 1.00 1.33 O ATOM 2449 CB LEU B 59 15.747 17.722 4.081 1.00 1.04 C ATOM 2450 CG LEU B 59 14.949 16.411 4.018 1.00 1.01 C ATOM 2451 CD1 LEU B 59 14.279 16.164 5.376 1.00 1.11 C ATOM 2452 CD2 LEU B 59 13.908 16.389 2.892 1.00 1.08 C ATOM 0 H LEU B 59 17.726 16.408 3.243 1.00 1.04 H new ATOM 0 HA LEU B 59 15.800 18.130 1.961 1.00 1.06 H new ATOM 0 HB2 LEU B 59 16.461 17.659 4.902 1.00 1.04 H new ATOM 0 HB3 LEU B 59 15.063 18.538 4.316 1.00 1.04 H new ATOM 0 HG LEU B 59 15.653 15.610 3.791 1.00 1.01 H new ATOM 0 HD11 LEU B 59 13.711 15.235 5.338 1.00 1.11 H new ATOM 0 HD12 LEU B 59 15.043 16.091 6.150 1.00 1.11 H new ATOM 0 HD13 LEU B 59 13.607 16.991 5.606 1.00 1.11 H new ATOM 0 HD21 LEU B 59 13.380 15.436 2.903 1.00 1.08 H new ATOM 0 HD22 LEU B 59 13.195 17.200 3.040 1.00 1.08 H new ATOM 0 HD23 LEU B 59 14.408 16.515 1.932 1.00 1.08 H new ATOM 2464 N ASP B 60 18.403 19.443 3.476 1.00 1.27 N ATOM 2465 CA ASP B 60 19.304 20.602 3.591 1.00 1.53 C ATOM 2466 C ASP B 60 19.837 21.120 2.240 1.00 1.61 C ATOM 2467 O ASP B 60 20.712 21.978 2.208 1.00 2.19 O ATOM 2468 CB ASP B 60 20.475 20.200 4.500 1.00 1.81 C ATOM 2469 CG ASP B 60 20.802 21.197 5.601 1.00 2.06 C ATOM 2470 OD1 ASP B 60 19.945 21.308 6.511 1.00 2.37 O ATOM 2471 OD2 ASP B 60 21.964 21.658 5.627 1.00 3.27 O ATOM 0 H ASP B 60 18.816 18.597 3.868 1.00 1.27 H new ATOM 0 HA ASP B 60 18.729 21.428 4.011 1.00 1.53 H new ATOM 0 HB2 ASP B 60 20.247 19.237 4.958 1.00 1.81 H new ATOM 0 HB3 ASP B 60 21.362 20.058 3.883 1.00 1.81 H new ATOM 2476 N LYS B 61 19.340 20.593 1.109 1.00 1.36 N ATOM 2477 CA LYS B 61 19.707 21.058 -0.235 1.00 1.51 C ATOM 2478 C LYS B 61 19.287 22.524 -0.477 1.00 1.30 C ATOM 2479 O LYS B 61 19.937 23.226 -1.247 1.00 1.61 O ATOM 2480 CB LYS B 61 19.069 20.116 -1.282 1.00 1.71 C ATOM 2481 CG LYS B 61 19.962 19.858 -2.510 1.00 2.27 C ATOM 2482 CD LYS B 61 20.961 18.700 -2.313 1.00 2.79 C ATOM 2483 CE LYS B 61 20.260 17.328 -2.347 1.00 4.12 C ATOM 2484 NZ LYS B 61 21.196 16.198 -2.093 1.00 4.87 N ATOM 0 H LYS B 61 18.667 19.826 1.104 1.00 1.36 H new ATOM 0 HA LYS B 61 20.793 21.031 -0.329 1.00 1.51 H new ATOM 0 HB2 LYS B 61 18.837 19.163 -0.806 1.00 1.71 H new ATOM 0 HB3 LYS B 61 18.124 20.545 -1.615 1.00 1.71 H new ATOM 0 HG2 LYS B 61 19.329 19.639 -3.370 1.00 2.27 H new ATOM 0 HG3 LYS B 61 20.515 20.768 -2.745 1.00 2.27 H new ATOM 0 HD2 LYS B 61 21.721 18.739 -3.093 1.00 2.79 H new ATOM 0 HD3 LYS B 61 21.476 18.822 -1.360 1.00 2.79 H new ATOM 0 HE2 LYS B 61 19.466 17.312 -1.600 1.00 4.12 H new ATOM 0 HE3 LYS B 61 19.786 17.191 -3.319 1.00 4.12 H new ATOM 0 HZ1 LYS B 61 21.303 15.634 -2.960 1.00 4.87 H new ATOM 0 HZ2 LYS B 61 22.123 16.573 -1.807 1.00 4.87 H new ATOM 0 HZ3 LYS B 61 20.817 15.597 -1.334 1.00 4.87 H new ATOM 2498 N ASN B 62 18.209 22.955 0.195 1.00 1.17 N ATOM 2499 CA ASN B 62 17.674 24.329 0.223 1.00 1.69 C ATOM 2500 C ASN B 62 16.974 24.628 1.564 1.00 1.86 C ATOM 2501 O ASN B 62 17.219 25.658 2.175 1.00 2.97 O ATOM 2502 CB ASN B 62 16.650 24.526 -0.908 1.00 2.03 C ATOM 2503 CG ASN B 62 17.205 24.238 -2.289 1.00 2.10 C ATOM 2504 OD1 ASN B 62 16.936 23.193 -2.870 1.00 2.05 O ATOM 2505 ND2 ASN B 62 17.997 25.140 -2.843 1.00 2.98 N ATOM 0 H ASN B 62 17.654 22.319 0.767 1.00 1.17 H new ATOM 0 HA ASN B 62 18.517 25.008 0.094 1.00 1.69 H new ATOM 0 HB2 ASN B 62 15.793 23.877 -0.728 1.00 2.03 H new ATOM 0 HB3 ASN B 62 16.284 25.552 -0.880 1.00 2.03 H new ATOM 0 HD21 ASN B 62 18.394 24.971 -3.767 1.00 2.98 H new ATOM 0 HD22 ASN B 62 18.211 26.005 -2.346 1.00 2.98 H new ATOM 2512 N SER B 63 16.139 23.688 2.033 1.00 1.22 N ATOM 2513 CA SER B 63 15.510 23.603 3.369 1.00 1.28 C ATOM 2514 C SER B 63 14.254 24.455 3.622 1.00 1.21 C ATOM 2515 O SER B 63 13.611 24.269 4.647 1.00 1.45 O ATOM 2516 CB SER B 63 16.516 23.800 4.513 1.00 1.91 C ATOM 2517 OG SER B 63 16.899 25.139 4.752 1.00 1.82 O ATOM 0 H SER B 63 15.861 22.903 1.444 1.00 1.22 H new ATOM 0 HA SER B 63 15.144 22.576 3.361 1.00 1.28 H new ATOM 0 HB2 SER B 63 16.086 23.393 5.428 1.00 1.91 H new ATOM 0 HB3 SER B 63 17.410 23.216 4.294 1.00 1.91 H new ATOM 0 HG SER B 63 17.179 25.554 3.910 1.00 1.82 H new ATOM 2523 N ASP B 64 13.848 25.345 2.715 1.00 1.13 N ATOM 2524 CA ASP B 64 12.871 26.418 2.970 1.00 1.25 C ATOM 2525 C ASP B 64 11.542 26.161 2.266 1.00 1.37 C ATOM 2526 O ASP B 64 10.465 26.376 2.820 1.00 2.32 O ATOM 2527 CB ASP B 64 13.506 27.724 2.415 1.00 1.51 C ATOM 2528 CG ASP B 64 13.800 27.723 0.887 1.00 3.34 C ATOM 2529 OD1 ASP B 64 14.178 26.648 0.341 1.00 4.86 O ATOM 2530 OD2 ASP B 64 13.590 28.777 0.250 1.00 4.30 O ATOM 0 H ASP B 64 14.196 25.344 1.756 1.00 1.13 H new ATOM 0 HA ASP B 64 12.655 26.479 4.037 1.00 1.25 H new ATOM 0 HB2 ASP B 64 12.839 28.557 2.639 1.00 1.51 H new ATOM 0 HB3 ASP B 64 14.439 27.910 2.948 1.00 1.51 H new ATOM 2535 N GLN B 65 11.677 25.642 1.058 1.00 0.94 N ATOM 2536 CA GLN B 65 10.654 25.339 0.081 1.00 0.94 C ATOM 2537 C GLN B 65 9.556 24.423 0.597 1.00 0.79 C ATOM 2538 O GLN B 65 9.785 23.630 1.511 1.00 0.76 O ATOM 2539 CB GLN B 65 11.331 24.653 -1.110 1.00 1.03 C ATOM 2540 CG GLN B 65 12.220 23.449 -0.734 1.00 2.18 C ATOM 2541 CD GLN B 65 13.005 22.865 -1.902 1.00 2.74 C ATOM 2542 OE1 GLN B 65 12.984 21.669 -2.146 1.00 3.68 O ATOM 2543 NE2 GLN B 65 13.797 23.653 -2.597 1.00 3.37 N ATOM 0 H GLN B 65 12.602 25.399 0.705 1.00 0.94 H new ATOM 0 HA GLN B 65 10.176 26.282 -0.185 1.00 0.94 H new ATOM 0 HB2 GLN B 65 10.562 24.317 -1.805 1.00 1.03 H new ATOM 0 HB3 GLN B 65 11.940 25.387 -1.638 1.00 1.03 H new ATOM 0 HG2 GLN B 65 12.920 23.757 0.042 1.00 2.18 H new ATOM 0 HG3 GLN B 65 11.592 22.668 -0.305 1.00 2.18 H new ATOM 0 HE21 GLN B 65 13.821 24.654 -2.400 1.00 3.37 H new ATOM 0 HE22 GLN B 65 14.387 23.263 -3.332 1.00 3.37 H new ATOM 2552 N GLU B 66 8.408 24.448 -0.084 1.00 0.91 N ATOM 2553 CA GLU B 66 7.411 23.412 0.111 1.00 0.85 C ATOM 2554 C GLU B 66 7.842 22.074 -0.495 1.00 0.97 C ATOM 2555 O GLU B 66 8.383 22.000 -1.602 1.00 1.23 O ATOM 2556 CB GLU B 66 6.020 23.783 -0.425 1.00 0.97 C ATOM 2557 CG GLU B 66 5.401 25.027 0.218 1.00 1.03 C ATOM 2558 CD GLU B 66 4.038 25.315 -0.408 1.00 1.51 C ATOM 2559 OE1 GLU B 66 3.109 24.506 -0.160 1.00 2.23 O ATOM 2560 OE2 GLU B 66 3.947 26.321 -1.144 1.00 2.39 O ATOM 0 H GLU B 66 8.155 25.165 -0.763 1.00 0.91 H new ATOM 0 HA GLU B 66 7.333 23.312 1.194 1.00 0.85 H new ATOM 0 HB2 GLU B 66 6.090 23.943 -1.501 1.00 0.97 H new ATOM 0 HB3 GLU B 66 5.349 22.938 -0.271 1.00 0.97 H new ATOM 0 HG2 GLU B 66 5.292 24.876 1.292 1.00 1.03 H new ATOM 0 HG3 GLU B 66 6.061 25.884 0.082 1.00 1.03 H new ATOM 2567 N ILE B 67 7.533 21.022 0.257 1.00 0.90 N ATOM 2568 CA ILE B 67 7.481 19.613 -0.150 1.00 1.00 C ATOM 2569 C ILE B 67 6.075 19.063 0.100 1.00 0.99 C ATOM 2570 O ILE B 67 5.342 19.608 0.921 1.00 1.09 O ATOM 2571 CB ILE B 67 8.493 18.747 0.641 1.00 1.04 C ATOM 2572 CG1 ILE B 67 8.801 19.309 2.042 1.00 1.50 C ATOM 2573 CG2 ILE B 67 9.778 18.559 -0.164 1.00 2.54 C ATOM 2574 CD1 ILE B 67 9.412 18.277 2.978 1.00 1.75 C ATOM 0 H ILE B 67 7.294 21.136 1.242 1.00 0.90 H new ATOM 0 HA ILE B 67 7.737 19.567 -1.208 1.00 1.00 H new ATOM 0 HB ILE B 67 8.023 17.776 0.796 1.00 1.04 H new ATOM 0 HG12 ILE B 67 9.484 20.153 1.946 1.00 1.50 H new ATOM 0 HG13 ILE B 67 7.881 19.692 2.484 1.00 1.50 H new ATOM 0 HG21 ILE B 67 10.478 17.948 0.406 1.00 2.54 H new ATOM 0 HG22 ILE B 67 9.547 18.063 -1.107 1.00 2.54 H new ATOM 0 HG23 ILE B 67 10.226 19.532 -0.366 1.00 2.54 H new ATOM 0 HD11 ILE B 67 9.605 18.735 3.948 1.00 1.75 H new ATOM 0 HD12 ILE B 67 8.721 17.443 3.102 1.00 1.75 H new ATOM 0 HD13 ILE B 67 10.348 17.912 2.556 1.00 1.75 H new ATOM 2586 N ASP B 68 5.732 17.959 -0.566 1.00 0.94 N ATOM 2587 CA ASP B 68 4.466 17.243 -0.400 1.00 0.99 C ATOM 2588 C ASP B 68 4.565 15.984 0.491 1.00 0.94 C ATOM 2589 O ASP B 68 5.629 15.599 0.986 1.00 1.14 O ATOM 2590 CB ASP B 68 3.903 16.897 -1.799 1.00 1.09 C ATOM 2591 CG ASP B 68 4.397 15.551 -2.343 1.00 1.37 C ATOM 2592 OD1 ASP B 68 5.622 15.290 -2.294 1.00 2.82 O ATOM 2593 OD2 ASP B 68 3.539 14.720 -2.720 1.00 1.91 O ATOM 0 H ASP B 68 6.346 17.526 -1.256 1.00 0.94 H new ATOM 0 HA ASP B 68 3.784 17.906 0.132 1.00 0.99 H new ATOM 0 HB2 ASP B 68 2.814 16.882 -1.750 1.00 1.09 H new ATOM 0 HB3 ASP B 68 4.180 17.686 -2.498 1.00 1.09 H new ATOM 2598 N PHE B 69 3.421 15.303 0.625 1.00 0.96 N ATOM 2599 CA PHE B 69 3.267 13.997 1.263 1.00 0.97 C ATOM 2600 C PHE B 69 4.178 12.888 0.706 1.00 0.90 C ATOM 2601 O PHE B 69 4.536 11.965 1.442 1.00 0.89 O ATOM 2602 CB PHE B 69 1.795 13.567 1.125 1.00 1.16 C ATOM 2603 CG PHE B 69 1.047 13.610 2.434 1.00 1.35 C ATOM 2604 CD1 PHE B 69 1.177 12.545 3.341 1.00 2.06 C ATOM 2605 CD2 PHE B 69 0.260 14.727 2.761 1.00 2.95 C ATOM 2606 CE1 PHE B 69 0.518 12.595 4.580 1.00 2.86 C ATOM 2607 CE2 PHE B 69 -0.401 14.775 4.001 1.00 3.59 C ATOM 2608 CZ PHE B 69 -0.272 13.711 4.905 1.00 3.17 C ATOM 0 H PHE B 69 2.536 15.668 0.273 1.00 0.96 H new ATOM 0 HA PHE B 69 3.570 14.121 2.303 1.00 0.97 H new ATOM 0 HB2 PHE B 69 1.297 14.218 0.406 1.00 1.16 H new ATOM 0 HB3 PHE B 69 1.753 12.555 0.721 1.00 1.16 H new ATOM 0 HD1 PHE B 69 1.783 11.689 3.086 1.00 2.06 H new ATOM 0 HD2 PHE B 69 0.163 15.545 2.063 1.00 2.95 H new ATOM 0 HE1 PHE B 69 0.618 11.779 5.280 1.00 2.86 H new ATOM 0 HE2 PHE B 69 -1.008 15.631 4.257 1.00 3.59 H new ATOM 0 HZ PHE B 69 -0.782 13.749 5.856 1.00 3.17 H new ATOM 2618 N LYS B 70 4.527 12.918 -0.582 1.00 0.89 N ATOM 2619 CA LYS B 70 5.359 11.908 -1.237 1.00 0.88 C ATOM 2620 C LYS B 70 6.841 12.091 -0.927 1.00 0.95 C ATOM 2621 O LYS B 70 7.489 11.102 -0.585 1.00 0.99 O ATOM 2622 CB LYS B 70 5.123 12.022 -2.739 1.00 0.90 C ATOM 2623 CG LYS B 70 5.755 10.900 -3.555 1.00 1.54 C ATOM 2624 CD LYS B 70 5.539 11.229 -5.035 1.00 2.26 C ATOM 2625 CE LYS B 70 6.411 10.299 -5.870 1.00 3.57 C ATOM 2626 NZ LYS B 70 6.326 10.639 -7.311 1.00 4.58 N ATOM 0 H LYS B 70 4.232 13.663 -1.213 1.00 0.89 H new ATOM 0 HA LYS B 70 5.082 10.922 -0.865 1.00 0.88 H new ATOM 0 HB2 LYS B 70 4.049 12.034 -2.927 1.00 0.90 H new ATOM 0 HB3 LYS B 70 5.518 12.977 -3.087 1.00 0.90 H new ATOM 0 HG2 LYS B 70 6.819 10.816 -3.332 1.00 1.54 H new ATOM 0 HG3 LYS B 70 5.301 9.941 -3.305 1.00 1.54 H new ATOM 0 HD2 LYS B 70 4.489 11.104 -5.301 1.00 2.26 H new ATOM 0 HD3 LYS B 70 5.797 12.269 -5.233 1.00 2.26 H new ATOM 0 HE2 LYS B 70 7.446 10.370 -5.537 1.00 3.57 H new ATOM 0 HE3 LYS B 70 6.097 9.266 -5.718 1.00 3.57 H new ATOM 0 HZ1 LYS B 70 6.929 9.991 -7.857 1.00 4.58 H new ATOM 0 HZ2 LYS B 70 5.341 10.548 -7.632 1.00 4.58 H new ATOM 0 HZ3 LYS B 70 6.649 11.617 -7.457 1.00 4.58 H new ATOM 2640 N GLU B 71 7.355 13.324 -1.019 1.00 0.98 N ATOM 2641 CA GLU B 71 8.721 13.688 -0.613 1.00 1.09 C ATOM 2642 C GLU B 71 8.933 13.341 0.874 1.00 1.10 C ATOM 2643 O GLU B 71 10.003 12.913 1.297 1.00 1.29 O ATOM 2644 CB GLU B 71 8.938 15.186 -0.887 1.00 1.22 C ATOM 2645 CG GLU B 71 9.028 15.541 -2.388 1.00 1.27 C ATOM 2646 CD GLU B 71 10.477 15.712 -2.850 1.00 1.59 C ATOM 2647 OE1 GLU B 71 11.234 14.722 -2.794 1.00 2.29 O ATOM 2648 OE2 GLU B 71 10.903 16.858 -3.134 1.00 2.61 O ATOM 0 H GLU B 71 6.823 14.114 -1.385 1.00 0.98 H new ATOM 0 HA GLU B 71 9.454 13.123 -1.189 1.00 1.09 H new ATOM 0 HB2 GLU B 71 8.120 15.750 -0.439 1.00 1.22 H new ATOM 0 HB3 GLU B 71 9.855 15.507 -0.392 1.00 1.22 H new ATOM 0 HG2 GLU B 71 8.550 14.757 -2.975 1.00 1.27 H new ATOM 0 HG3 GLU B 71 8.476 16.462 -2.577 1.00 1.27 H new ATOM 2655 N TYR B 72 7.855 13.414 1.656 1.00 0.95 N ATOM 2656 CA TYR B 72 7.782 12.891 3.027 1.00 0.87 C ATOM 2657 C TYR B 72 7.806 11.350 3.114 1.00 0.92 C ATOM 2658 O TYR B 72 8.643 10.785 3.819 1.00 0.94 O ATOM 2659 CB TYR B 72 6.528 13.497 3.678 1.00 0.82 C ATOM 2660 CG TYR B 72 5.917 12.763 4.867 1.00 0.88 C ATOM 2661 CD1 TYR B 72 6.713 12.303 5.935 1.00 1.45 C ATOM 2662 CD2 TYR B 72 4.522 12.566 4.925 1.00 2.04 C ATOM 2663 CE1 TYR B 72 6.123 11.706 7.065 1.00 1.55 C ATOM 2664 CE2 TYR B 72 3.919 12.012 6.071 1.00 2.19 C ATOM 2665 CZ TYR B 72 4.718 11.610 7.161 1.00 1.28 C ATOM 2666 OH TYR B 72 4.140 11.193 8.318 1.00 1.50 O ATOM 0 H TYR B 72 6.985 13.849 1.349 1.00 0.95 H new ATOM 0 HA TYR B 72 8.680 13.188 3.569 1.00 0.87 H new ATOM 0 HB2 TYR B 72 6.774 14.509 4.000 1.00 0.82 H new ATOM 0 HB3 TYR B 72 5.761 13.585 2.909 1.00 0.82 H new ATOM 0 HD1 TYR B 72 7.787 12.410 5.886 1.00 1.45 H new ATOM 0 HD2 TYR B 72 3.908 12.843 4.081 1.00 2.04 H new ATOM 0 HE1 TYR B 72 6.746 11.321 7.859 1.00 1.55 H new ATOM 0 HE2 TYR B 72 2.846 11.895 6.115 1.00 2.19 H new ATOM 0 HH TYR B 72 3.195 11.451 8.323 1.00 1.50 H new ATOM 2676 N SER B 73 6.907 10.637 2.432 1.00 0.92 N ATOM 2677 CA SER B 73 6.799 9.175 2.535 1.00 0.93 C ATOM 2678 C SER B 73 7.987 8.434 1.913 1.00 0.97 C ATOM 2679 O SER B 73 8.488 7.499 2.546 1.00 1.00 O ATOM 2680 CB SER B 73 5.473 8.681 1.952 1.00 0.90 C ATOM 2681 OG SER B 73 5.378 8.872 0.556 1.00 1.74 O ATOM 0 H SER B 73 6.232 11.055 1.792 1.00 0.92 H new ATOM 0 HA SER B 73 6.821 8.941 3.599 1.00 0.93 H new ATOM 0 HB2 SER B 73 5.356 7.621 2.177 1.00 0.90 H new ATOM 0 HB3 SER B 73 4.651 9.203 2.441 1.00 0.90 H new ATOM 0 HG SER B 73 4.950 8.091 0.147 1.00 1.74 H new ATOM 2687 N VAL B 74 8.503 8.874 0.754 1.00 1.01 N ATOM 2688 CA VAL B 74 9.754 8.353 0.187 1.00 1.10 C ATOM 2689 C VAL B 74 10.918 8.599 1.131 1.00 1.04 C ATOM 2690 O VAL B 74 11.729 7.697 1.264 1.00 1.01 O ATOM 2691 CB VAL B 74 10.149 8.883 -1.211 1.00 1.20 C ATOM 2692 CG1 VAL B 74 9.066 8.583 -2.246 1.00 1.34 C ATOM 2693 CG2 VAL B 74 10.607 10.348 -1.272 1.00 1.10 C ATOM 0 H VAL B 74 8.065 9.599 0.186 1.00 1.01 H new ATOM 0 HA VAL B 74 9.544 7.291 0.059 1.00 1.10 H new ATOM 0 HB VAL B 74 11.049 8.323 -1.464 1.00 1.20 H new ATOM 0 HG11 VAL B 74 9.375 8.969 -3.218 1.00 1.34 H new ATOM 0 HG12 VAL B 74 8.916 7.505 -2.314 1.00 1.34 H new ATOM 0 HG13 VAL B 74 8.133 9.061 -1.946 1.00 1.34 H new ATOM 0 HG21 VAL B 74 10.858 10.608 -2.300 1.00 1.10 H new ATOM 0 HG22 VAL B 74 9.804 10.995 -0.920 1.00 1.10 H new ATOM 0 HG23 VAL B 74 11.485 10.481 -0.639 1.00 1.10 H new ATOM 2703 N PHE B 75 10.995 9.747 1.823 1.00 1.00 N ATOM 2704 CA PHE B 75 12.063 9.981 2.793 1.00 0.92 C ATOM 2705 C PHE B 75 11.948 9.009 3.966 1.00 0.93 C ATOM 2706 O PHE B 75 12.915 8.307 4.254 1.00 0.98 O ATOM 2707 CB PHE B 75 12.036 11.430 3.291 1.00 0.79 C ATOM 2708 CG PHE B 75 13.223 11.782 4.165 1.00 0.55 C ATOM 2709 CD1 PHE B 75 13.374 11.242 5.457 1.00 1.87 C ATOM 2710 CD2 PHE B 75 14.220 12.619 3.646 1.00 2.00 C ATOM 2711 CE1 PHE B 75 14.537 11.496 6.204 1.00 2.12 C ATOM 2712 CE2 PHE B 75 15.348 12.916 4.421 1.00 1.77 C ATOM 2713 CZ PHE B 75 15.517 12.358 5.694 1.00 0.70 C ATOM 0 H PHE B 75 10.334 10.518 1.726 1.00 1.00 H new ATOM 0 HA PHE B 75 13.017 9.808 2.296 1.00 0.92 H new ATOM 0 HB2 PHE B 75 12.012 12.102 2.433 1.00 0.79 H new ATOM 0 HB3 PHE B 75 11.117 11.598 3.853 1.00 0.79 H new ATOM 0 HD1 PHE B 75 12.591 10.628 5.877 1.00 1.87 H new ATOM 0 HD2 PHE B 75 14.119 13.033 2.654 1.00 2.00 H new ATOM 0 HE1 PHE B 75 14.675 11.028 7.168 1.00 2.12 H new ATOM 0 HE2 PHE B 75 16.100 13.586 4.031 1.00 1.77 H new ATOM 0 HZ PHE B 75 16.395 12.590 6.278 1.00 0.70 H new ATOM 2723 N LEU B 76 10.791 8.932 4.633 1.00 0.91 N ATOM 2724 CA LEU B 76 10.595 8.043 5.789 1.00 0.90 C ATOM 2725 C LEU B 76 10.866 6.568 5.447 1.00 0.89 C ATOM 2726 O LEU B 76 11.391 5.821 6.271 1.00 0.87 O ATOM 2727 CB LEU B 76 9.165 8.237 6.335 1.00 0.91 C ATOM 2728 CG LEU B 76 9.057 9.194 7.535 1.00 0.62 C ATOM 2729 CD1 LEU B 76 9.615 8.526 8.800 1.00 2.36 C ATOM 2730 CD2 LEU B 76 9.751 10.547 7.310 1.00 2.27 C ATOM 0 H LEU B 76 9.966 9.481 4.390 1.00 0.91 H new ATOM 0 HA LEU B 76 11.320 8.312 6.557 1.00 0.90 H new ATOM 0 HB2 LEU B 76 8.532 8.612 5.531 1.00 0.91 H new ATOM 0 HB3 LEU B 76 8.767 7.265 6.627 1.00 0.91 H new ATOM 0 HG LEU B 76 7.995 9.406 7.658 1.00 0.62 H new ATOM 0 HD11 LEU B 76 9.532 9.214 9.641 1.00 2.36 H new ATOM 0 HD12 LEU B 76 9.047 7.621 9.014 1.00 2.36 H new ATOM 0 HD13 LEU B 76 10.662 8.268 8.644 1.00 2.36 H new ATOM 0 HD21 LEU B 76 9.633 11.168 8.198 1.00 2.27 H new ATOM 0 HD22 LEU B 76 10.812 10.385 7.119 1.00 2.27 H new ATOM 0 HD23 LEU B 76 9.301 11.049 6.453 1.00 2.27 H new ATOM 2742 N THR B 77 10.572 6.185 4.204 1.00 0.95 N ATOM 2743 CA THR B 77 10.816 4.852 3.639 1.00 0.99 C ATOM 2744 C THR B 77 12.284 4.632 3.284 1.00 1.10 C ATOM 2745 O THR B 77 12.833 3.581 3.603 1.00 1.19 O ATOM 2746 CB THR B 77 9.914 4.662 2.424 1.00 0.98 C ATOM 2747 OG1 THR B 77 8.597 4.915 2.831 1.00 1.05 O ATOM 2748 CG2 THR B 77 9.955 3.234 1.914 1.00 0.98 C ATOM 0 H THR B 77 10.139 6.820 3.533 1.00 0.95 H new ATOM 0 HA THR B 77 10.577 4.103 4.394 1.00 0.99 H new ATOM 0 HB THR B 77 10.252 5.332 1.633 1.00 0.98 H new ATOM 0 HG1 THR B 77 8.450 5.883 2.881 1.00 1.05 H new ATOM 0 HG21 THR B 77 9.300 3.138 1.048 1.00 0.98 H new ATOM 0 HG22 THR B 77 10.975 2.979 1.627 1.00 0.98 H new ATOM 0 HG23 THR B 77 9.619 2.557 2.700 1.00 0.98 H new ATOM 2756 N MET B 78 12.941 5.626 2.676 1.00 1.10 N ATOM 2757 CA MET B 78 14.388 5.637 2.412 1.00 1.13 C ATOM 2758 C MET B 78 15.187 5.503 3.713 1.00 1.09 C ATOM 2759 O MET B 78 16.123 4.716 3.784 1.00 1.13 O ATOM 2760 CB MET B 78 14.762 6.942 1.695 1.00 1.09 C ATOM 2761 CG MET B 78 16.117 6.844 1.001 1.00 1.30 C ATOM 2762 SD MET B 78 16.005 6.276 -0.715 1.00 1.91 S ATOM 2763 CE MET B 78 15.652 7.904 -1.435 1.00 2.37 C ATOM 0 H MET B 78 12.471 6.468 2.344 1.00 1.10 H new ATOM 0 HA MET B 78 14.635 4.785 1.779 1.00 1.13 H new ATOM 0 HB2 MET B 78 13.995 7.185 0.960 1.00 1.09 H new ATOM 0 HB3 MET B 78 14.782 7.759 2.416 1.00 1.09 H new ATOM 0 HG2 MET B 78 16.599 7.821 1.022 1.00 1.30 H new ATOM 0 HG3 MET B 78 16.756 6.161 1.561 1.00 1.30 H new ATOM 0 HE1 MET B 78 15.539 7.807 -2.515 1.00 2.37 H new ATOM 0 HE2 MET B 78 14.730 8.299 -1.007 1.00 2.37 H new ATOM 0 HE3 MET B 78 16.475 8.585 -1.216 1.00 2.37 H new ATOM 2773 N LEU B 79 14.754 6.224 4.747 1.00 1.04 N ATOM 2774 CA LEU B 79 15.260 6.137 6.106 1.00 1.01 C ATOM 2775 C LEU B 79 15.015 4.745 6.710 1.00 1.09 C ATOM 2776 O LEU B 79 15.932 4.169 7.278 1.00 1.09 O ATOM 2777 CB LEU B 79 14.613 7.294 6.895 1.00 1.09 C ATOM 2778 CG LEU B 79 14.891 7.279 8.401 1.00 1.28 C ATOM 2779 CD1 LEU B 79 16.397 7.258 8.690 1.00 1.32 C ATOM 2780 CD2 LEU B 79 14.243 8.495 9.078 1.00 2.26 C ATOM 0 H LEU B 79 14.008 6.913 4.650 1.00 1.04 H new ATOM 0 HA LEU B 79 16.344 6.249 6.142 1.00 1.01 H new ATOM 0 HB2 LEU B 79 14.968 8.239 6.484 1.00 1.09 H new ATOM 0 HB3 LEU B 79 13.535 7.263 6.739 1.00 1.09 H new ATOM 0 HG LEU B 79 14.454 6.368 8.810 1.00 1.28 H new ATOM 0 HD11 LEU B 79 16.561 7.248 9.768 1.00 1.32 H new ATOM 0 HD12 LEU B 79 16.840 6.366 8.247 1.00 1.32 H new ATOM 0 HD13 LEU B 79 16.862 8.145 8.261 1.00 1.32 H new ATOM 0 HD21 LEU B 79 14.450 8.469 10.148 1.00 2.26 H new ATOM 0 HD22 LEU B 79 14.653 9.410 8.651 1.00 2.26 H new ATOM 0 HD23 LEU B 79 13.165 8.470 8.916 1.00 2.26 H new ATOM 2792 N CYS B 80 13.824 4.157 6.549 1.00 1.18 N ATOM 2793 CA CYS B 80 13.544 2.807 7.055 1.00 1.24 C ATOM 2794 C CYS B 80 14.462 1.733 6.435 1.00 1.23 C ATOM 2795 O CYS B 80 14.970 0.882 7.160 1.00 1.24 O ATOM 2796 CB CYS B 80 12.052 2.513 6.852 1.00 1.33 C ATOM 2797 SG CYS B 80 11.604 1.042 7.814 1.00 1.41 S ATOM 0 H CYS B 80 13.037 4.595 6.071 1.00 1.18 H new ATOM 0 HA CYS B 80 13.771 2.769 8.120 1.00 1.24 H new ATOM 0 HB2 CYS B 80 11.453 3.367 7.169 1.00 1.33 H new ATOM 0 HB3 CYS B 80 11.841 2.350 5.795 1.00 1.33 H new ATOM 0 HG CYS B 80 10.340 0.785 7.650 1.00 1.41 H new ATOM 2803 N MET B 81 14.788 1.812 5.141 1.00 1.24 N ATOM 2804 CA MET B 81 15.776 0.919 4.510 1.00 1.24 C ATOM 2805 C MET B 81 17.235 1.242 4.880 1.00 1.18 C ATOM 2806 O MET B 81 18.143 0.560 4.415 1.00 1.57 O ATOM 2807 CB MET B 81 15.535 0.780 3.009 1.00 1.34 C ATOM 2808 CG MET B 81 15.708 2.064 2.198 1.00 2.74 C ATOM 2809 SD MET B 81 15.623 1.871 0.395 1.00 3.32 S ATOM 2810 CE MET B 81 14.467 0.483 0.250 1.00 3.36 C ATOM 0 H MET B 81 14.379 2.492 4.500 1.00 1.24 H new ATOM 0 HA MET B 81 15.613 -0.070 4.939 1.00 1.24 H new ATOM 0 HB2 MET B 81 16.218 0.027 2.616 1.00 1.34 H new ATOM 0 HB3 MET B 81 14.523 0.405 2.853 1.00 1.34 H new ATOM 0 HG2 MET B 81 14.940 2.773 2.506 1.00 2.74 H new ATOM 0 HG3 MET B 81 16.671 2.506 2.453 1.00 2.74 H new ATOM 0 HE1 MET B 81 14.189 0.349 -0.795 1.00 3.36 H new ATOM 0 HE2 MET B 81 14.942 -0.426 0.619 1.00 3.36 H new ATOM 0 HE3 MET B 81 13.574 0.690 0.839 1.00 3.36 H new ATOM 2820 N ALA B 82 17.467 2.258 5.727 1.00 0.90 N ATOM 2821 CA ALA B 82 18.736 2.513 6.396 1.00 0.94 C ATOM 2822 C ALA B 82 18.798 1.930 7.828 1.00 1.12 C ATOM 2823 O ALA B 82 19.801 2.135 8.518 1.00 1.51 O ATOM 2824 CB ALA B 82 19.025 4.019 6.352 1.00 0.99 C ATOM 0 H ALA B 82 16.749 2.941 5.967 1.00 0.90 H new ATOM 0 HA ALA B 82 19.524 1.986 5.859 1.00 0.94 H new ATOM 0 HB1 ALA B 82 19.973 4.222 6.850 1.00 0.99 H new ATOM 0 HB2 ALA B 82 19.082 4.348 5.315 1.00 0.99 H new ATOM 0 HB3 ALA B 82 18.225 4.558 6.860 1.00 0.99 H new ATOM 2830 N TYR B 83 17.762 1.205 8.285 1.00 1.15 N ATOM 2831 CA TYR B 83 17.753 0.516 9.592 1.00 1.49 C ATOM 2832 C TYR B 83 16.831 -0.714 9.747 1.00 1.59 C ATOM 2833 O TYR B 83 16.725 -1.271 10.844 1.00 2.00 O ATOM 2834 CB TYR B 83 17.517 1.520 10.723 1.00 1.83 C ATOM 2835 CG TYR B 83 16.187 2.241 10.796 1.00 1.94 C ATOM 2836 CD1 TYR B 83 15.039 1.592 11.302 1.00 2.74 C ATOM 2837 CD2 TYR B 83 16.144 3.618 10.522 1.00 2.37 C ATOM 2838 CE1 TYR B 83 13.849 2.314 11.510 1.00 2.82 C ATOM 2839 CE2 TYR B 83 14.970 4.350 10.762 1.00 2.54 C ATOM 2840 CZ TYR B 83 13.808 3.700 11.243 1.00 2.24 C ATOM 2841 OH TYR B 83 12.669 4.411 11.473 1.00 2.43 O ATOM 0 H TYR B 83 16.900 1.078 7.755 1.00 1.15 H new ATOM 0 HA TYR B 83 18.750 0.079 9.653 1.00 1.49 H new ATOM 0 HB2 TYR B 83 17.658 0.993 11.666 1.00 1.83 H new ATOM 0 HB3 TYR B 83 18.299 2.277 10.660 1.00 1.83 H new ATOM 0 HD1 TYR B 83 15.075 0.537 11.530 1.00 2.74 H new ATOM 0 HD2 TYR B 83 17.017 4.115 10.125 1.00 2.37 H new ATOM 0 HE1 TYR B 83 12.967 1.808 11.874 1.00 2.82 H new ATOM 0 HE2 TYR B 83 14.953 5.414 10.579 1.00 2.54 H new ATOM 0 HH TYR B 83 11.966 3.808 11.792 1.00 2.43 H new ATOM 2851 N ASN B 84 16.166 -1.165 8.679 1.00 1.51 N ATOM 2852 CA ASN B 84 15.390 -2.407 8.660 1.00 1.68 C ATOM 2853 C ASN B 84 16.250 -3.676 8.552 1.00 1.43 C ATOM 2854 O ASN B 84 15.717 -4.773 8.365 1.00 1.83 O ATOM 2855 CB ASN B 84 14.245 -2.306 7.634 1.00 1.98 C ATOM 2856 CG ASN B 84 14.650 -2.471 6.176 1.00 3.81 C ATOM 2857 OD1 ASN B 84 15.799 -2.366 5.784 1.00 5.13 O ATOM 2858 ND2 ASN B 84 13.701 -2.746 5.296 1.00 4.71 N ATOM 0 H ASN B 84 16.152 -0.668 7.788 1.00 1.51 H new ATOM 0 HA ASN B 84 14.922 -2.526 9.637 1.00 1.68 H new ATOM 0 HB2 ASN B 84 13.499 -3.064 7.873 1.00 1.98 H new ATOM 0 HB3 ASN B 84 13.762 -1.336 7.750 1.00 1.98 H new ATOM 0 HD21 ASN B 84 13.938 -2.866 4.311 1.00 4.71 H new ATOM 0 HD22 ASN B 84 12.733 -2.838 5.602 1.00 4.71 H new ATOM 2865 N ASP B 85 17.562 -3.554 8.786 1.00 1.72 N ATOM 2866 CA ASP B 85 18.439 -4.677 9.105 1.00 1.81 C ATOM 2867 C ASP B 85 18.066 -5.346 10.437 1.00 2.20 C ATOM 2868 O ASP B 85 18.286 -6.540 10.614 1.00 2.50 O ATOM 2869 CB ASP B 85 19.897 -4.184 9.133 1.00 2.67 C ATOM 2870 CG ASP B 85 20.190 -3.191 10.273 1.00 3.43 C ATOM 2871 OD1 ASP B 85 19.632 -2.068 10.236 1.00 4.40 O ATOM 2872 OD2 ASP B 85 20.955 -3.542 11.197 1.00 3.90 O ATOM 0 H ASP B 85 18.047 -2.657 8.758 1.00 1.72 H new ATOM 0 HA ASP B 85 18.319 -5.436 8.332 1.00 1.81 H new ATOM 0 HB2 ASP B 85 20.560 -5.043 9.231 1.00 2.67 H new ATOM 0 HB3 ASP B 85 20.130 -3.709 8.180 1.00 2.67 H new ATOM 2877 N PHE B 86 17.391 -4.609 11.330 1.00 2.68 N ATOM 2878 CA PHE B 86 16.832 -5.096 12.593 1.00 3.48 C ATOM 2879 C PHE B 86 15.732 -6.172 12.408 1.00 3.51 C ATOM 2880 O PHE B 86 15.227 -6.699 13.402 1.00 4.42 O ATOM 2881 CB PHE B 86 16.327 -3.875 13.394 1.00 4.01 C ATOM 2882 CG PHE B 86 17.362 -2.997 14.101 1.00 4.87 C ATOM 2883 CD1 PHE B 86 18.728 -2.983 13.740 1.00 5.50 C ATOM 2884 CD2 PHE B 86 16.944 -2.185 15.175 1.00 5.77 C ATOM 2885 CE1 PHE B 86 19.652 -2.193 14.447 1.00 6.58 C ATOM 2886 CE2 PHE B 86 17.865 -1.397 15.887 1.00 6.68 C ATOM 2887 CZ PHE B 86 19.226 -1.407 15.531 1.00 6.94 C ATOM 0 H PHE B 86 17.214 -3.615 11.183 1.00 2.68 H new ATOM 0 HA PHE B 86 17.617 -5.610 13.148 1.00 3.48 H new ATOM 0 HB2 PHE B 86 15.761 -3.240 12.712 1.00 4.01 H new ATOM 0 HB3 PHE B 86 15.627 -4.237 14.147 1.00 4.01 H new ATOM 0 HD1 PHE B 86 19.067 -3.586 12.911 1.00 5.50 H new ATOM 0 HD2 PHE B 86 15.901 -2.168 15.455 1.00 5.77 H new ATOM 0 HE1 PHE B 86 20.692 -2.190 14.156 1.00 6.58 H new ATOM 0 HE2 PHE B 86 17.527 -0.783 16.709 1.00 6.68 H new ATOM 0 HZ PHE B 86 19.938 -0.815 16.087 1.00 6.94 H new ATOM 2897 N PHE B 87 15.361 -6.509 11.163 1.00 2.80 N ATOM 2898 CA PHE B 87 14.445 -7.601 10.814 1.00 3.25 C ATOM 2899 C PHE B 87 15.112 -8.695 9.949 1.00 3.32 C ATOM 2900 O PHE B 87 14.401 -9.542 9.393 1.00 3.85 O ATOM 2901 CB PHE B 87 13.208 -7.025 10.098 1.00 3.12 C ATOM 2902 CG PHE B 87 12.637 -5.746 10.690 1.00 3.39 C ATOM 2903 CD1 PHE B 87 12.367 -5.631 12.065 1.00 4.65 C ATOM 2904 CD2 PHE B 87 12.419 -4.645 9.845 1.00 3.24 C ATOM 2905 CE1 PHE B 87 11.915 -4.408 12.594 1.00 5.22 C ATOM 2906 CE2 PHE B 87 11.985 -3.419 10.369 1.00 3.92 C ATOM 2907 CZ PHE B 87 11.732 -3.299 11.749 1.00 4.69 C ATOM 0 H PHE B 87 15.705 -6.009 10.343 1.00 2.80 H new ATOM 0 HA PHE B 87 14.146 -8.086 11.743 1.00 3.25 H new ATOM 0 HB2 PHE B 87 13.469 -6.836 9.057 1.00 3.12 H new ATOM 0 HB3 PHE B 87 12.426 -7.784 10.098 1.00 3.12 H new ATOM 0 HD1 PHE B 87 12.507 -6.482 12.715 1.00 4.65 H new ATOM 0 HD2 PHE B 87 12.587 -4.744 8.783 1.00 3.24 H new ATOM 0 HE1 PHE B 87 11.708 -4.321 13.650 1.00 5.22 H new ATOM 0 HE2 PHE B 87 11.845 -2.570 9.717 1.00 3.92 H new ATOM 0 HZ PHE B 87 11.398 -2.357 12.158 1.00 4.69 H new ATOM 2917 N LEU B 88 16.442 -8.662 9.792 1.00 2.94 N ATOM 2918 CA LEU B 88 17.230 -9.672 9.083 1.00 3.15 C ATOM 2919 C LEU B 88 18.072 -10.536 10.034 1.00 4.08 C ATOM 2920 O LEU B 88 18.383 -10.174 11.165 1.00 4.92 O ATOM 2921 CB LEU B 88 18.107 -9.012 7.991 1.00 2.21 C ATOM 2922 CG LEU B 88 17.545 -9.219 6.574 1.00 2.21 C ATOM 2923 CD1 LEU B 88 18.251 -8.354 5.523 1.00 2.35 C ATOM 2924 CD2 LEU B 88 17.700 -10.681 6.118 1.00 3.18 C ATOM 0 H LEU B 88 17.015 -7.906 10.168 1.00 2.94 H new ATOM 0 HA LEU B 88 16.526 -10.348 8.597 1.00 3.15 H new ATOM 0 HB2 LEU B 88 18.189 -7.944 8.193 1.00 2.21 H new ATOM 0 HB3 LEU B 88 19.115 -9.424 8.042 1.00 2.21 H new ATOM 0 HG LEU B 88 16.495 -8.934 6.643 1.00 2.21 H new ATOM 0 HD11 LEU B 88 17.813 -8.542 4.543 1.00 2.35 H new ATOM 0 HD12 LEU B 88 18.131 -7.301 5.778 1.00 2.35 H new ATOM 0 HD13 LEU B 88 19.312 -8.603 5.500 1.00 2.35 H new ATOM 0 HD21 LEU B 88 17.293 -10.794 5.113 1.00 3.18 H new ATOM 0 HD22 LEU B 88 18.756 -10.951 6.114 1.00 3.18 H new ATOM 0 HD23 LEU B 88 17.161 -11.335 6.803 1.00 3.18 H new ATOM 2936 N GLU B 89 18.428 -11.699 9.509 1.00 4.40 N ATOM 2937 CA GLU B 89 19.151 -12.798 10.150 1.00 5.29 C ATOM 2938 C GLU B 89 20.637 -12.862 9.752 1.00 4.79 C ATOM 2939 O GLU B 89 21.325 -13.819 10.102 1.00 5.15 O ATOM 2940 CB GLU B 89 18.467 -14.111 9.727 1.00 6.24 C ATOM 2941 CG GLU B 89 17.028 -14.279 10.245 1.00 7.14 C ATOM 2942 CD GLU B 89 15.932 -13.818 9.273 1.00 7.23 C ATOM 2943 OE1 GLU B 89 16.069 -12.750 8.637 1.00 7.05 O ATOM 2944 OE2 GLU B 89 14.872 -14.472 9.182 1.00 7.97 O ATOM 0 H GLU B 89 18.201 -11.921 8.540 1.00 4.40 H new ATOM 0 HA GLU B 89 19.121 -12.639 11.228 1.00 5.29 H new ATOM 0 HB2 GLU B 89 18.456 -14.165 8.638 1.00 6.24 H new ATOM 0 HB3 GLU B 89 19.067 -14.949 10.082 1.00 6.24 H new ATOM 0 HG2 GLU B 89 16.864 -15.330 10.483 1.00 7.14 H new ATOM 0 HG3 GLU B 89 16.925 -13.722 11.176 1.00 7.14 H new ATOM 2951 N ASP B 90 21.079 -11.888 8.956 1.00 4.20 N ATOM 2952 CA ASP B 90 22.351 -11.805 8.208 1.00 3.88 C ATOM 2953 C ASP B 90 22.329 -12.815 7.043 1.00 4.24 C ATOM 2954 O ASP B 90 22.121 -12.433 5.890 1.00 4.17 O ATOM 2955 CB ASP B 90 23.580 -11.946 9.134 1.00 5.20 C ATOM 2956 CG ASP B 90 24.905 -11.779 8.385 1.00 5.56 C ATOM 2957 OD1 ASP B 90 25.380 -10.621 8.292 1.00 6.27 O ATOM 2958 OD2 ASP B 90 25.444 -12.820 7.945 1.00 5.85 O ATOM 0 H ASP B 90 20.509 -11.057 8.799 1.00 4.20 H new ATOM 0 HA ASP B 90 22.450 -10.810 7.774 1.00 3.88 H new ATOM 0 HB2 ASP B 90 23.519 -11.201 9.928 1.00 5.20 H new ATOM 0 HB3 ASP B 90 23.559 -12.925 9.613 1.00 5.20 H new ATOM 2963 N ASN B 91 22.453 -14.103 7.376 1.00 5.60 N ATOM 2964 CA ASN B 91 22.299 -15.291 6.529 1.00 7.00 C ATOM 2965 C ASN B 91 23.502 -15.542 5.597 1.00 7.44 C ATOM 2966 O ASN B 91 23.884 -16.708 5.440 1.00 8.84 O ATOM 2967 CB ASN B 91 20.965 -15.232 5.739 1.00 7.29 C ATOM 2968 CG ASN B 91 20.500 -16.526 5.059 1.00 8.57 C ATOM 2969 OD1 ASN B 91 19.428 -16.566 4.471 1.00 9.40 O ATOM 2970 ND2 ASN B 91 21.241 -17.618 5.078 1.00 9.20 N ATOM 0 H ASN B 91 22.685 -14.365 8.334 1.00 5.60 H new ATOM 0 HA ASN B 91 22.268 -16.149 7.201 1.00 7.00 H new ATOM 0 HB2 ASN B 91 20.180 -14.908 6.423 1.00 7.29 H new ATOM 0 HB3 ASN B 91 21.059 -14.462 4.973 1.00 7.29 H new ATOM 0 HD21 ASN B 91 20.915 -18.464 4.611 1.00 9.20 H new ATOM 0 HD22 ASN B 91 22.140 -17.616 5.560 1.00 9.20 H new ATOM 2977 N LYS B 92 24.059 -14.509 4.949 1.00 6.77 N ATOM 2978 CA LYS B 92 25.015 -14.589 3.820 1.00 7.78 C ATOM 2979 C LYS B 92 25.486 -13.216 3.324 1.00 7.63 C ATOM 2980 O LYS B 92 24.890 -12.200 3.728 1.00 7.15 O ATOM 2981 CB LYS B 92 24.443 -15.448 2.662 1.00 8.79 C ATOM 2982 CG LYS B 92 23.002 -15.150 2.186 1.00 8.57 C ATOM 2983 CD LYS B 92 22.633 -13.681 1.906 1.00 7.51 C ATOM 2984 CE LYS B 92 23.540 -13.030 0.845 1.00 8.19 C ATOM 2985 NZ LYS B 92 23.989 -11.679 1.259 1.00 7.97 N ATOM 2986 OXT LYS B 92 26.197 -13.165 2.295 1.00 8.36 O ATOM 0 H LYS B 92 23.849 -13.544 5.206 1.00 6.77 H new ATOM 0 HA LYS B 92 25.904 -15.086 4.207 1.00 7.78 H new ATOM 0 HB2 LYS B 92 25.108 -15.340 1.805 1.00 8.79 H new ATOM 0 HB3 LYS B 92 24.485 -16.493 2.968 1.00 8.79 H new ATOM 0 HG2 LYS B 92 22.825 -15.721 1.274 1.00 8.57 H new ATOM 0 HG3 LYS B 92 22.313 -15.532 2.940 1.00 8.57 H new ATOM 0 HD2 LYS B 92 21.596 -13.629 1.573 1.00 7.51 H new ATOM 0 HD3 LYS B 92 22.699 -13.111 2.833 1.00 7.51 H new ATOM 0 HE2 LYS B 92 24.409 -13.664 0.671 1.00 8.19 H new ATOM 0 HE3 LYS B 92 23.002 -12.960 -0.100 1.00 8.19 H new ATOM 0 HZ1 LYS B 92 24.916 -11.476 0.833 1.00 7.97 H new ATOM 0 HZ2 LYS B 92 23.298 -10.970 0.939 1.00 7.97 H new ATOM 0 HZ3 LYS B 92 24.068 -11.642 2.295 1.00 7.97 H new TER 3000 LYS B 92