USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 799 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 GLN : amide:sc= -8.68! C(o=-11!,f=-15!) USER MOD Set 1.2: A 126 MET CE :methyl -152:sc= -2.62! (180deg=-1.42) USER MOD Set 2.1: A 118 THR OG1 : rot -89:sc= -1.03 USER MOD Set 2.2: A 123 HIS : no HE2:sc= -15.1! C(o=-16!,f=-17!) USER MOD Set 3.1: A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 122 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 106 MET CE :methyl -127:sc= -16.1! (180deg=-16.9!) USER MOD Set 4.2: A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 57 LYS NZ :NH3+ 165:sc= -0.916 (180deg=-1.52) USER MOD Set 5.2: A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc=-0.00469 USER MOD Single : A 32 LYS NZ :NH3+ 151:sc= -0.0229 (180deg=-0.565) USER MOD Single : A 36 ASN : amide:sc= -0.0264 X(o=-0.026,f=-0.026) USER MOD Single : A 39 LYS NZ :NH3+ 153:sc= -0.548 (180deg=-2.79!) USER MOD Single : A 42 HIS :FLIP no HD1:sc= -21! C(o=-23!,f=-21!) USER MOD Single : A 45 CYS SG : rot 12:sc= -5.95! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-5.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -138:sc= -19.8! (180deg=-26!) USER MOD Single : A 55 MET CE :methyl -150:sc= -4.24! (180deg=-7.13!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 118:sc= -2.41 USER MOD Single : A 62 MET CE :methyl -120:sc= -5.68! (180deg=-10.2!) USER MOD Single : A 65 ASN : amide:sc= -0.821 X(o=-0.82,f=-1.3) USER MOD Single : A 70 GLN :FLIP amide:sc= -2.5 F(o=-6.1!,f=-2.5) USER MOD Single : A 72 SER OG : rot 120:sc= -2.22! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 162:sc= 0 (180deg=-0.0117) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.00602 USER MOD Single : A 89 SER OG : rot 47:sc= 0.232 USER MOD Single : A 90 MET CE :methyl -163:sc= -1.63 (180deg=-2.69!) USER MOD Single : A 95 GLN : amide:sc= -5.77! C(o=-5.8!,f=-16!) USER MOD Single : A 104 SER OG : rot -170:sc= -0.516! USER MOD Single : A 112 THR OG1 : rot 33:sc= 0.281 USER MOD Single : A 119 LYS NZ :NH3+ -114:sc=-0.00422 (180deg=-0.229) USER MOD Single : A 131 LYS NZ :NH3+ -130:sc=-0.00938 (180deg=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 28 84.452 -18.917 -11.365 1.00 0.00 N ATOM 2 CA GLY A 28 83.696 -19.823 -10.455 1.00 0.00 C ATOM 3 C GLY A 28 83.302 -21.093 -11.212 1.00 0.00 C ATOM 4 O GLY A 28 82.309 -21.128 -11.911 1.00 0.00 O ATOM 0 HA2 GLY A 28 84.306 -20.078 -9.589 1.00 0.00 H new ATOM 0 HA3 GLY A 28 82.805 -19.319 -10.080 1.00 0.00 H new ATOM 10 N SER A 29 84.072 -22.138 -11.077 1.00 0.00 N ATOM 11 CA SER A 29 83.740 -23.406 -11.788 1.00 0.00 C ATOM 12 C SER A 29 82.720 -24.214 -10.981 1.00 0.00 C ATOM 13 O SER A 29 81.721 -24.669 -11.501 1.00 0.00 O ATOM 14 CB SER A 29 85.064 -24.162 -11.889 1.00 0.00 C ATOM 15 OG SER A 29 85.680 -24.210 -10.610 1.00 0.00 O ATOM 0 H SER A 29 84.916 -22.169 -10.505 1.00 0.00 H new ATOM 0 HA SER A 29 83.298 -23.226 -12.768 1.00 0.00 H new ATOM 0 HB2 SER A 29 84.891 -25.172 -12.259 1.00 0.00 H new ATOM 0 HB3 SER A 29 85.723 -23.669 -12.604 1.00 0.00 H new ATOM 0 HG SER A 29 86.528 -24.696 -10.674 1.00 0.00 H new ATOM 21 N GLY A 30 82.964 -24.396 -9.712 1.00 0.00 N ATOM 22 CA GLY A 30 82.009 -25.174 -8.874 1.00 0.00 C ATOM 23 C GLY A 30 82.041 -24.643 -7.435 1.00 0.00 C ATOM 24 O GLY A 30 81.144 -23.938 -7.018 1.00 0.00 O ATOM 0 H GLY A 30 83.783 -24.040 -9.220 1.00 0.00 H new ATOM 0 HA2 GLY A 30 81.001 -25.092 -9.281 1.00 0.00 H new ATOM 0 HA3 GLY A 30 82.274 -26.231 -8.889 1.00 0.00 H new ATOM 28 N PRO A 31 83.079 -25.001 -6.718 1.00 0.00 N ATOM 29 CA PRO A 31 83.228 -24.553 -5.314 1.00 0.00 C ATOM 30 C PRO A 31 83.314 -23.026 -5.241 1.00 0.00 C ATOM 31 O PRO A 31 84.378 -22.450 -5.342 1.00 0.00 O ATOM 32 CB PRO A 31 84.550 -25.200 -4.891 1.00 0.00 C ATOM 33 CG PRO A 31 85.114 -25.998 -6.082 1.00 0.00 C ATOM 34 CD PRO A 31 84.152 -25.865 -7.270 1.00 0.00 C ATOM 0 HA PRO A 31 82.390 -24.832 -4.675 1.00 0.00 H new ATOM 0 HB2 PRO A 31 85.261 -24.436 -4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 31 84.392 -25.858 -4.036 1.00 0.00 H new ATOM 0 HG2 PRO A 31 86.101 -25.624 -6.353 1.00 0.00 H new ATOM 0 HG3 PRO A 31 85.234 -27.047 -5.810 1.00 0.00 H new ATOM 0 HD2 PRO A 31 84.635 -25.410 -8.135 1.00 0.00 H new ATOM 0 HD3 PRO A 31 83.768 -26.833 -7.592 1.00 0.00 H new ATOM 42 N LYS A 32 82.201 -22.367 -5.064 1.00 0.00 N ATOM 43 CA LYS A 32 82.221 -20.879 -4.985 1.00 0.00 C ATOM 44 C LYS A 32 81.714 -20.415 -3.617 1.00 0.00 C ATOM 45 O LYS A 32 81.874 -19.271 -3.240 1.00 0.00 O ATOM 46 CB LYS A 32 81.279 -20.409 -6.094 1.00 0.00 C ATOM 47 CG LYS A 32 81.903 -19.217 -6.823 1.00 0.00 C ATOM 48 CD LYS A 32 80.907 -18.667 -7.846 1.00 0.00 C ATOM 49 CE LYS A 32 81.251 -17.209 -8.159 1.00 0.00 C ATOM 50 NZ LYS A 32 81.090 -17.088 -9.636 1.00 0.00 N ATOM 0 H LYS A 32 81.280 -22.795 -4.971 1.00 0.00 H new ATOM 0 HA LYS A 32 83.225 -20.473 -5.106 1.00 0.00 H new ATOM 0 HB2 LYS A 32 81.093 -21.222 -6.796 1.00 0.00 H new ATOM 0 HB3 LYS A 32 80.315 -20.126 -5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 32 82.172 -18.440 -6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 32 82.822 -19.523 -7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 32 80.939 -19.263 -8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 32 79.892 -18.737 -7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 32 80.587 -16.524 -7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 32 82.268 -16.968 -7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 80.820 -16.113 -9.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 81.988 -17.325 -10.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 80.349 -17.742 -9.959 1.00 0.00 H new ATOM 64 N GLY A 33 81.102 -21.295 -2.872 1.00 0.00 N ATOM 65 CA GLY A 33 80.586 -20.904 -1.530 1.00 0.00 C ATOM 66 C GLY A 33 79.309 -20.079 -1.694 1.00 0.00 C ATOM 67 O GLY A 33 78.212 -20.600 -1.662 1.00 0.00 O ATOM 0 H GLY A 33 80.937 -22.267 -3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 33 80.383 -21.793 -0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 33 81.339 -20.326 -0.994 1.00 0.00 H new ATOM 71 N GLY A 34 79.441 -18.792 -1.872 1.00 0.00 N ATOM 72 CA GLY A 34 78.233 -17.936 -2.040 1.00 0.00 C ATOM 73 C GLY A 34 78.574 -16.492 -1.666 1.00 0.00 C ATOM 74 O GLY A 34 77.937 -15.559 -2.111 1.00 0.00 O ATOM 0 H GLY A 34 80.332 -18.297 -1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 34 77.882 -17.983 -3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 34 77.423 -18.304 -1.410 1.00 0.00 H new ATOM 78 N GLY A 35 79.574 -16.300 -0.850 1.00 0.00 N ATOM 79 CA GLY A 35 79.953 -14.915 -0.449 1.00 0.00 C ATOM 80 C GLY A 35 81.221 -14.962 0.405 1.00 0.00 C ATOM 81 O GLY A 35 81.207 -14.629 1.574 1.00 0.00 O ATOM 0 H GLY A 35 80.145 -17.041 -0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 35 80.120 -14.301 -1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 35 79.141 -14.452 0.111 1.00 0.00 H new ATOM 85 N ASN A 36 82.319 -15.374 -0.168 1.00 0.00 N ATOM 86 CA ASN A 36 83.588 -15.442 0.613 1.00 0.00 C ATOM 87 C ASN A 36 84.250 -14.065 0.670 1.00 0.00 C ATOM 88 O ASN A 36 84.250 -13.405 1.690 1.00 0.00 O ATOM 89 CB ASN A 36 84.470 -16.430 -0.149 1.00 0.00 C ATOM 90 CG ASN A 36 85.785 -16.627 0.607 1.00 0.00 C ATOM 91 OD1 ASN A 36 86.847 -16.352 0.085 1.00 0.00 O ATOM 92 ND2 ASN A 36 85.759 -17.096 1.825 1.00 0.00 N ATOM 0 H ASN A 36 82.393 -15.666 -1.142 1.00 0.00 H new ATOM 0 HA ASN A 36 83.421 -15.755 1.644 1.00 0.00 H new ATOM 0 HB2 ASN A 36 83.955 -17.384 -0.259 1.00 0.00 H new ATOM 0 HB3 ASN A 36 84.668 -16.057 -1.154 1.00 0.00 H new ATOM 0 HD21 ASN A 36 86.630 -17.231 2.338 1.00 0.00 H new ATOM 0 HD22 ASN A 36 84.868 -17.327 2.264 1.00 0.00 H new ATOM 99 N ALA A 37 84.814 -13.628 -0.419 1.00 0.00 N ATOM 100 CA ALA A 37 85.479 -12.299 -0.438 1.00 0.00 C ATOM 101 C ALA A 37 84.723 -11.345 -1.363 1.00 0.00 C ATOM 102 O ALA A 37 84.108 -11.753 -2.325 1.00 0.00 O ATOM 103 CB ALA A 37 86.885 -12.567 -0.975 1.00 0.00 C ATOM 0 H ALA A 37 84.843 -14.138 -1.302 1.00 0.00 H new ATOM 0 HA ALA A 37 85.502 -11.834 0.547 1.00 0.00 H new ATOM 0 HB1 ALA A 37 87.442 -11.631 -1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 37 87.400 -13.265 -0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 37 86.817 -12.997 -1.974 1.00 0.00 H new ATOM 109 N VAL A 38 84.765 -10.079 -1.067 1.00 0.00 N ATOM 110 CA VAL A 38 84.062 -9.068 -1.911 1.00 0.00 C ATOM 111 C VAL A 38 84.825 -7.745 -1.824 1.00 0.00 C ATOM 112 O VAL A 38 85.433 -7.465 -0.807 1.00 0.00 O ATOM 113 CB VAL A 38 82.675 -8.927 -1.285 1.00 0.00 C ATOM 114 CG1 VAL A 38 81.850 -10.180 -1.584 1.00 0.00 C ATOM 115 CG2 VAL A 38 82.813 -8.756 0.230 1.00 0.00 C ATOM 0 H VAL A 38 85.263 -9.693 -0.265 1.00 0.00 H new ATOM 0 HA VAL A 38 83.999 -9.353 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 38 82.175 -8.054 -1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 38 80.861 -10.079 -1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 38 81.751 -10.301 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.350 -11.053 -1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.824 -8.655 0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 38 83.314 -9.628 0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 38 83.400 -7.863 0.443 1.00 0.00 H new ATOM 125 N LYS A 39 84.814 -6.906 -2.835 1.00 0.00 N ATOM 126 CA LYS A 39 85.558 -5.636 -2.672 1.00 0.00 C ATOM 127 C LYS A 39 84.597 -4.608 -2.070 1.00 0.00 C ATOM 128 O LYS A 39 83.823 -3.978 -2.760 1.00 0.00 O ATOM 129 CB LYS A 39 85.993 -5.259 -4.079 1.00 0.00 C ATOM 130 CG LYS A 39 87.475 -4.883 -4.072 1.00 0.00 C ATOM 131 CD LYS A 39 87.694 -3.715 -3.110 1.00 0.00 C ATOM 132 CE LYS A 39 89.090 -3.129 -3.331 1.00 0.00 C ATOM 133 NZ LYS A 39 89.190 -2.922 -4.805 1.00 0.00 N ATOM 0 H LYS A 39 84.340 -7.044 -3.728 1.00 0.00 H new ATOM 0 HA LYS A 39 86.424 -5.700 -2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 39 85.822 -6.093 -4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.397 -4.423 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 39 88.078 -5.738 -3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 39 87.797 -4.608 -5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 39 86.936 -2.949 -3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 39 87.589 -4.054 -2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 39 89.215 -2.191 -2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 39 89.865 -3.808 -2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 89.857 -2.149 -5.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 89.529 -3.796 -5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 88.254 -2.677 -5.185 1.00 0.00 H new ATOM 147 N VAL A 40 84.607 -4.493 -0.766 1.00 0.00 N ATOM 148 CA VAL A 40 83.656 -3.574 -0.078 1.00 0.00 C ATOM 149 C VAL A 40 84.207 -2.156 0.099 1.00 0.00 C ATOM 150 O VAL A 40 85.377 -1.946 0.348 1.00 0.00 O ATOM 151 CB VAL A 40 83.435 -4.221 1.288 1.00 0.00 C ATOM 152 CG1 VAL A 40 82.841 -5.619 1.100 1.00 0.00 C ATOM 153 CG2 VAL A 40 84.773 -4.331 2.022 1.00 0.00 C ATOM 0 H VAL A 40 85.238 -5.001 -0.146 1.00 0.00 H new ATOM 0 HA VAL A 40 82.745 -3.452 -0.664 1.00 0.00 H new ATOM 0 HB VAL A 40 82.748 -3.609 1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 40 82.683 -6.081 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 40 81.888 -5.542 0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 40 83.528 -6.231 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 40 84.616 -4.793 2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 40 85.460 -4.943 1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 40 85.198 -3.336 2.156 1.00 0.00 H new ATOM 163 N ARG A 41 83.334 -1.188 0.001 1.00 0.00 N ATOM 164 CA ARG A 41 83.729 0.239 0.190 1.00 0.00 C ATOM 165 C ARG A 41 82.806 0.856 1.248 1.00 0.00 C ATOM 166 O ARG A 41 81.678 0.432 1.405 1.00 0.00 O ATOM 167 CB ARG A 41 83.516 0.902 -1.168 1.00 0.00 C ATOM 168 CG ARG A 41 84.784 0.770 -2.010 1.00 0.00 C ATOM 169 CD ARG A 41 84.450 1.032 -3.479 1.00 0.00 C ATOM 170 NE ARG A 41 85.638 1.749 -4.020 1.00 0.00 N ATOM 171 CZ ARG A 41 85.762 1.927 -5.307 1.00 0.00 C ATOM 172 NH1 ARG A 41 84.843 2.576 -5.968 1.00 0.00 N ATOM 173 NH2 ARG A 41 86.807 1.456 -5.933 1.00 0.00 N ATOM 0 H ARG A 41 82.345 -1.329 -0.206 1.00 0.00 H new ATOM 0 HA ARG A 41 84.759 0.361 0.524 1.00 0.00 H new ATOM 0 HB2 ARG A 41 82.676 0.436 -1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 41 83.264 1.954 -1.034 1.00 0.00 H new ATOM 0 HG2 ARG A 41 85.538 1.478 -1.665 1.00 0.00 H new ATOM 0 HG3 ARG A 41 85.208 -0.228 -1.895 1.00 0.00 H new ATOM 0 HD2 ARG A 41 84.272 0.100 -4.016 1.00 0.00 H new ATOM 0 HD3 ARG A 41 83.547 1.634 -3.578 1.00 0.00 H new ATOM 0 HE ARG A 41 86.354 2.101 -3.385 1.00 0.00 H new ATOM 0 HH11 ARG A 41 84.027 2.944 -5.479 1.00 0.00 H new ATOM 0 HH12 ARG A 41 84.940 2.715 -6.974 1.00 0.00 H new ATOM 0 HH21 ARG A 41 87.526 0.949 -5.416 1.00 0.00 H new ATOM 0 HH22 ARG A 41 86.904 1.595 -6.939 1.00 0.00 H new ATOM 187 N HIS A 42 83.263 1.822 1.997 1.00 0.00 N ATOM 188 CA HIS A 42 82.377 2.398 3.053 1.00 0.00 C ATOM 189 C HIS A 42 82.226 3.922 2.926 1.00 0.00 C ATOM 190 O HIS A 42 83.191 4.658 2.912 1.00 0.00 O ATOM 191 CB HIS A 42 83.070 2.043 4.370 1.00 0.00 C ATOM 192 CG HIS A 42 83.432 0.583 4.373 1.00 0.00 C ATOM 193 ND1 HIS A 42 84.157 -0.188 3.496 1.00 0.00 N flip ATOM 194 CD2 HIS A 42 83.030 -0.275 5.386 1.00 0.00 C flip ATOM 195 CE1 HIS A 42 84.206 -1.501 3.956 1.00 0.00 C flip ATOM 196 NE2 HIS A 42 83.511 -1.498 5.096 1.00 0.00 N flip ATOM 0 H HIS A 42 84.194 2.233 1.928 1.00 0.00 H new ATOM 0 HA HIS A 42 81.366 1.999 2.977 1.00 0.00 H new ATOM 0 HB2 HIS A 42 83.966 2.650 4.496 1.00 0.00 H new ATOM 0 HB3 HIS A 42 82.413 2.267 5.210 1.00 0.00 H new ATOM 0 HD2 HIS A 42 82.439 -0.010 6.250 1.00 0.00 H new ATOM 0 HE1 HIS A 42 84.700 -2.341 3.491 1.00 0.00 H new ATOM 0 HE2 HIS A 42 83.363 -2.323 5.677 1.00 0.00 H new ATOM 204 N ILE A 43 81.004 4.392 2.872 1.00 0.00 N ATOM 205 CA ILE A 43 80.750 5.864 2.789 1.00 0.00 C ATOM 206 C ILE A 43 79.633 6.227 3.779 1.00 0.00 C ATOM 207 O ILE A 43 78.506 5.796 3.638 1.00 0.00 O ATOM 208 CB ILE A 43 80.328 6.130 1.331 1.00 0.00 C ATOM 209 CG1 ILE A 43 81.553 6.611 0.538 1.00 0.00 C ATOM 210 CG2 ILE A 43 79.231 7.205 1.280 1.00 0.00 C ATOM 211 CD1 ILE A 43 81.106 7.349 -0.731 1.00 0.00 C ATOM 0 H ILE A 43 80.164 3.813 2.882 1.00 0.00 H new ATOM 0 HA ILE A 43 81.621 6.466 3.047 1.00 0.00 H new ATOM 0 HB ILE A 43 79.937 5.210 0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 43 82.160 7.272 1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 43 82.180 5.760 0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 43 78.943 7.382 0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 43 78.363 6.866 1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 43 79.608 8.131 1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 43 81.983 7.685 -1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 43 80.519 6.676 -1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 43 80.498 8.211 -0.456 1.00 0.00 H new ATOM 223 N LEU A 44 79.935 6.995 4.791 1.00 0.00 N ATOM 224 CA LEU A 44 78.886 7.347 5.787 1.00 0.00 C ATOM 225 C LEU A 44 78.819 8.870 5.984 1.00 0.00 C ATOM 226 O LEU A 44 79.814 9.562 5.898 1.00 0.00 O ATOM 227 CB LEU A 44 79.346 6.618 7.060 1.00 0.00 C ATOM 228 CG LEU A 44 79.244 7.524 8.291 1.00 0.00 C ATOM 229 CD1 LEU A 44 77.788 7.944 8.499 1.00 0.00 C ATOM 230 CD2 LEU A 44 79.737 6.767 9.525 1.00 0.00 C ATOM 0 H LEU A 44 80.858 7.391 4.970 1.00 0.00 H new ATOM 0 HA LEU A 44 77.880 7.054 5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 44 78.737 5.727 7.211 1.00 0.00 H new ATOM 0 HB3 LEU A 44 80.376 6.283 6.937 1.00 0.00 H new ATOM 0 HG LEU A 44 79.859 8.411 8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 44 77.717 8.589 9.375 1.00 0.00 H new ATOM 0 HD12 LEU A 44 77.436 8.485 7.621 1.00 0.00 H new ATOM 0 HD13 LEU A 44 77.172 7.058 8.650 1.00 0.00 H new ATOM 0 HD21 LEU A 44 79.664 7.412 10.401 1.00 0.00 H new ATOM 0 HD22 LEU A 44 79.123 5.879 9.676 1.00 0.00 H new ATOM 0 HD23 LEU A 44 80.775 6.470 9.379 1.00 0.00 H new ATOM 242 N CYS A 45 77.654 9.390 6.264 1.00 0.00 N ATOM 243 CA CYS A 45 77.523 10.860 6.484 1.00 0.00 C ATOM 244 C CYS A 45 76.869 11.129 7.843 1.00 0.00 C ATOM 245 O CYS A 45 75.664 11.070 7.986 1.00 0.00 O ATOM 246 CB CYS A 45 76.629 11.356 5.347 1.00 0.00 C ATOM 247 SG CYS A 45 77.570 11.362 3.802 1.00 0.00 S ATOM 0 H CYS A 45 76.787 8.860 6.350 1.00 0.00 H new ATOM 0 HA CYS A 45 78.488 11.367 6.488 1.00 0.00 H new ATOM 0 HB2 CYS A 45 75.754 10.713 5.250 1.00 0.00 H new ATOM 0 HB3 CYS A 45 76.264 12.359 5.568 1.00 0.00 H new ATOM 0 HG CYS A 45 78.687 10.720 3.972 1.00 0.00 H new ATOM 253 N GLU A 46 77.658 11.416 8.843 1.00 0.00 N ATOM 254 CA GLU A 46 77.091 11.681 10.197 1.00 0.00 C ATOM 255 C GLU A 46 75.964 12.716 10.118 1.00 0.00 C ATOM 256 O GLU A 46 74.973 12.622 10.815 1.00 0.00 O ATOM 257 CB GLU A 46 78.261 12.227 11.013 1.00 0.00 C ATOM 258 CG GLU A 46 78.150 11.736 12.458 1.00 0.00 C ATOM 259 CD GLU A 46 79.117 12.525 13.343 1.00 0.00 C ATOM 260 OE1 GLU A 46 79.970 13.204 12.795 1.00 0.00 O ATOM 261 OE2 GLU A 46 78.989 12.435 14.552 1.00 0.00 O ATOM 0 H GLU A 46 78.674 11.479 8.780 1.00 0.00 H new ATOM 0 HA GLU A 46 76.661 10.784 10.643 1.00 0.00 H new ATOM 0 HB2 GLU A 46 79.205 11.900 10.578 1.00 0.00 H new ATOM 0 HB3 GLU A 46 78.259 13.317 10.987 1.00 0.00 H new ATOM 0 HG2 GLU A 46 77.128 11.860 12.817 1.00 0.00 H new ATOM 0 HG3 GLU A 46 78.379 10.672 12.510 1.00 0.00 H new ATOM 268 N LYS A 47 76.108 13.706 9.281 1.00 0.00 N ATOM 269 CA LYS A 47 75.044 14.745 9.167 1.00 0.00 C ATOM 270 C LYS A 47 73.821 14.175 8.444 1.00 0.00 C ATOM 271 O LYS A 47 72.762 14.771 8.433 1.00 0.00 O ATOM 272 CB LYS A 47 75.675 15.868 8.344 1.00 0.00 C ATOM 273 CG LYS A 47 76.980 16.315 9.005 1.00 0.00 C ATOM 274 CD LYS A 47 76.946 17.828 9.224 1.00 0.00 C ATOM 275 CE LYS A 47 78.370 18.346 9.440 1.00 0.00 C ATOM 276 NZ LYS A 47 78.198 19.657 10.125 1.00 0.00 N ATOM 0 H LYS A 47 76.915 13.841 8.672 1.00 0.00 H new ATOM 0 HA LYS A 47 74.703 15.094 10.142 1.00 0.00 H new ATOM 0 HB2 LYS A 47 75.869 15.524 7.328 1.00 0.00 H new ATOM 0 HB3 LYS A 47 74.986 16.709 8.269 1.00 0.00 H new ATOM 0 HG2 LYS A 47 77.113 15.801 9.957 1.00 0.00 H new ATOM 0 HG3 LYS A 47 77.829 16.046 8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 47 76.496 18.321 8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 47 76.326 18.067 10.088 1.00 0.00 H new ATOM 0 HE2 LYS A 47 78.954 17.655 10.048 1.00 0.00 H new ATOM 0 HE3 LYS A 47 78.897 18.461 8.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 79.131 20.078 10.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 77.644 20.295 9.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 77.699 19.515 11.026 1.00 0.00 H new ATOM 290 N HIS A 48 73.964 13.029 7.836 1.00 0.00 N ATOM 291 CA HIS A 48 72.815 12.415 7.106 1.00 0.00 C ATOM 292 C HIS A 48 72.307 13.363 6.014 1.00 0.00 C ATOM 293 O HIS A 48 71.255 13.156 5.441 1.00 0.00 O ATOM 294 CB HIS A 48 71.741 12.186 8.168 1.00 0.00 C ATOM 295 CG HIS A 48 72.034 10.906 8.902 1.00 0.00 C ATOM 296 ND1 HIS A 48 73.310 10.579 9.332 1.00 0.00 N ATOM 297 CD2 HIS A 48 71.229 9.864 9.287 1.00 0.00 C ATOM 298 CE1 HIS A 48 73.236 9.384 9.947 1.00 0.00 C ATOM 299 NE2 HIS A 48 71.990 8.903 9.947 1.00 0.00 N ATOM 0 H HIS A 48 74.829 12.489 7.813 1.00 0.00 H new ATOM 0 HA HIS A 48 73.095 11.486 6.608 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.719 13.023 8.866 1.00 0.00 H new ATOM 0 HB3 HIS A 48 70.757 12.135 7.702 1.00 0.00 H new ATOM 0 HD1 HIS A 48 74.152 11.141 9.206 1.00 0.00 H new ATOM 0 HD2 HIS A 48 70.166 9.799 9.106 1.00 0.00 H new ATOM 0 HE1 HIS A 48 74.081 8.876 10.387 1.00 0.00 H new ATOM 307 N GLY A 49 73.052 14.391 5.711 1.00 0.00 N ATOM 308 CA GLY A 49 72.622 15.339 4.645 1.00 0.00 C ATOM 309 C GLY A 49 73.412 15.025 3.376 1.00 0.00 C ATOM 310 O GLY A 49 72.957 15.246 2.272 1.00 0.00 O ATOM 0 H GLY A 49 73.942 14.615 6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 49 71.552 15.242 4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 49 72.800 16.368 4.958 1.00 0.00 H new ATOM 314 N LYS A 50 74.591 14.493 3.536 1.00 0.00 N ATOM 315 CA LYS A 50 75.425 14.134 2.355 1.00 0.00 C ATOM 316 C LYS A 50 75.252 12.656 2.048 1.00 0.00 C ATOM 317 O LYS A 50 75.447 12.220 0.937 1.00 0.00 O ATOM 318 CB LYS A 50 76.863 14.420 2.781 1.00 0.00 C ATOM 319 CG LYS A 50 77.011 15.899 3.120 1.00 0.00 C ATOM 320 CD LYS A 50 76.897 16.079 4.634 1.00 0.00 C ATOM 321 CE LYS A 50 78.293 16.259 5.234 1.00 0.00 C ATOM 322 NZ LYS A 50 78.353 17.692 5.637 1.00 0.00 N ATOM 0 H LYS A 50 75.016 14.290 4.441 1.00 0.00 H new ATOM 0 HA LYS A 50 75.149 14.694 1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 50 77.125 13.810 3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 50 77.551 14.149 1.980 1.00 0.00 H new ATOM 0 HG2 LYS A 50 77.973 16.271 2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 50 76.240 16.480 2.613 1.00 0.00 H new ATOM 0 HD2 LYS A 50 76.277 16.946 4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 50 76.408 15.212 5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 50 78.443 15.601 6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 50 79.070 16.020 4.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 79.282 17.896 6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 78.213 18.294 4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 77.606 17.888 6.334 1.00 0.00 H new ATOM 336 N ILE A 51 74.888 11.883 3.031 1.00 0.00 N ATOM 337 CA ILE A 51 74.701 10.427 2.794 1.00 0.00 C ATOM 338 C ILE A 51 73.989 10.210 1.456 1.00 0.00 C ATOM 339 O ILE A 51 74.233 9.242 0.762 1.00 0.00 O ATOM 340 CB ILE A 51 73.859 9.930 3.986 1.00 0.00 C ATOM 341 CG1 ILE A 51 74.353 8.545 4.423 1.00 0.00 C ATOM 342 CG2 ILE A 51 72.374 9.844 3.609 1.00 0.00 C ATOM 343 CD1 ILE A 51 74.628 7.676 3.194 1.00 0.00 C ATOM 0 H ILE A 51 74.712 12.196 3.986 1.00 0.00 H new ATOM 0 HA ILE A 51 75.642 9.880 2.732 1.00 0.00 H new ATOM 0 HB ILE A 51 73.970 10.640 4.805 1.00 0.00 H new ATOM 0 HG12 ILE A 51 75.260 8.645 5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 51 73.606 8.067 5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 51 71.801 9.491 4.466 1.00 0.00 H new ATOM 0 HG22 ILE A 51 72.016 10.830 3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 51 72.249 9.149 2.778 1.00 0.00 H new ATOM 0 HD11 ILE A 51 74.978 6.694 3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 51 73.711 7.563 2.615 1.00 0.00 H new ATOM 0 HD13 ILE A 51 75.391 8.150 2.576 1.00 0.00 H new ATOM 355 N MET A 52 73.129 11.115 1.079 1.00 0.00 N ATOM 356 CA MET A 52 72.432 10.967 -0.216 1.00 0.00 C ATOM 357 C MET A 52 73.300 11.583 -1.302 1.00 0.00 C ATOM 358 O MET A 52 73.535 10.990 -2.334 1.00 0.00 O ATOM 359 CB MET A 52 71.105 11.714 -0.031 1.00 0.00 C ATOM 360 CG MET A 52 70.598 12.242 -1.373 1.00 0.00 C ATOM 361 SD MET A 52 69.952 10.868 -2.360 1.00 0.00 S ATOM 362 CE MET A 52 71.291 10.807 -3.574 1.00 0.00 C ATOM 0 H MET A 52 72.883 11.947 1.615 1.00 0.00 H new ATOM 0 HA MET A 52 72.247 9.934 -0.510 1.00 0.00 H new ATOM 0 HB2 MET A 52 70.363 11.047 0.408 1.00 0.00 H new ATOM 0 HB3 MET A 52 71.241 12.542 0.665 1.00 0.00 H new ATOM 0 HG2 MET A 52 69.818 12.986 -1.212 1.00 0.00 H new ATOM 0 HG3 MET A 52 71.407 12.739 -1.909 1.00 0.00 H new ATOM 0 HE1 MET A 52 70.873 10.660 -4.570 1.00 0.00 H new ATOM 0 HE2 MET A 52 71.848 11.744 -3.549 1.00 0.00 H new ATOM 0 HE3 MET A 52 71.961 9.981 -3.336 1.00 0.00 H new ATOM 372 N GLU A 53 73.831 12.740 -1.054 1.00 0.00 N ATOM 373 CA GLU A 53 74.732 13.354 -2.042 1.00 0.00 C ATOM 374 C GLU A 53 75.854 12.363 -2.265 1.00 0.00 C ATOM 375 O GLU A 53 76.413 12.260 -3.336 1.00 0.00 O ATOM 376 CB GLU A 53 75.245 14.630 -1.386 1.00 0.00 C ATOM 377 CG GLU A 53 74.761 15.846 -2.176 1.00 0.00 C ATOM 378 CD GLU A 53 73.286 15.673 -2.551 1.00 0.00 C ATOM 379 OE1 GLU A 53 72.538 15.179 -1.724 1.00 0.00 O ATOM 380 OE2 GLU A 53 72.930 16.036 -3.661 1.00 0.00 O ATOM 0 H GLU A 53 73.676 13.285 -0.206 1.00 0.00 H new ATOM 0 HA GLU A 53 74.265 13.589 -2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 53 74.891 14.689 -0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 53 76.334 14.619 -1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 53 74.890 16.751 -1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 53 75.362 15.968 -3.077 1.00 0.00 H new ATOM 387 N ALA A 54 76.154 11.595 -1.249 1.00 0.00 N ATOM 388 CA ALA A 54 77.208 10.566 -1.406 1.00 0.00 C ATOM 389 C ALA A 54 76.691 9.568 -2.426 1.00 0.00 C ATOM 390 O ALA A 54 77.432 8.971 -3.183 1.00 0.00 O ATOM 391 CB ALA A 54 77.360 9.918 -0.027 1.00 0.00 C ATOM 0 H ALA A 54 75.716 11.640 -0.329 1.00 0.00 H new ATOM 0 HA ALA A 54 78.169 10.955 -1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 54 78.127 9.144 -0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 54 77.650 10.676 0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 54 76.411 9.472 0.272 1.00 0.00 H new ATOM 397 N MET A 55 75.395 9.424 -2.465 1.00 0.00 N ATOM 398 CA MET A 55 74.769 8.504 -3.450 1.00 0.00 C ATOM 399 C MET A 55 74.563 9.266 -4.761 1.00 0.00 C ATOM 400 O MET A 55 74.947 8.815 -5.820 1.00 0.00 O ATOM 401 CB MET A 55 73.436 8.102 -2.811 1.00 0.00 C ATOM 402 CG MET A 55 72.436 7.689 -3.893 1.00 0.00 C ATOM 403 SD MET A 55 70.887 7.163 -3.117 1.00 0.00 S ATOM 404 CE MET A 55 71.613 6.083 -1.859 1.00 0.00 C ATOM 0 H MET A 55 74.740 9.909 -1.851 1.00 0.00 H new ATOM 0 HA MET A 55 75.370 7.624 -3.680 1.00 0.00 H new ATOM 0 HB2 MET A 55 73.592 7.277 -2.115 1.00 0.00 H new ATOM 0 HB3 MET A 55 73.035 8.935 -2.234 1.00 0.00 H new ATOM 0 HG2 MET A 55 72.251 8.524 -4.569 1.00 0.00 H new ATOM 0 HG3 MET A 55 72.848 6.878 -4.493 1.00 0.00 H new ATOM 0 HE1 MET A 55 70.917 5.277 -1.626 1.00 0.00 H new ATOM 0 HE2 MET A 55 72.545 5.661 -2.236 1.00 0.00 H new ATOM 0 HE3 MET A 55 71.815 6.660 -0.956 1.00 0.00 H new ATOM 414 N GLU A 56 73.989 10.436 -4.689 1.00 0.00 N ATOM 415 CA GLU A 56 73.792 11.240 -5.924 1.00 0.00 C ATOM 416 C GLU A 56 75.155 11.533 -6.548 1.00 0.00 C ATOM 417 O GLU A 56 75.405 11.217 -7.693 1.00 0.00 O ATOM 418 CB GLU A 56 73.124 12.536 -5.463 1.00 0.00 C ATOM 419 CG GLU A 56 71.639 12.508 -5.836 1.00 0.00 C ATOM 420 CD GLU A 56 71.376 13.523 -6.950 1.00 0.00 C ATOM 421 OE1 GLU A 56 71.809 13.275 -8.064 1.00 0.00 O ATOM 422 OE2 GLU A 56 70.747 14.529 -6.670 1.00 0.00 O ATOM 0 H GLU A 56 73.649 10.867 -3.829 1.00 0.00 H new ATOM 0 HA GLU A 56 73.186 10.726 -6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 56 73.237 12.652 -4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 56 73.610 13.393 -5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 56 71.354 11.509 -6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.029 12.743 -4.964 1.00 0.00 H new ATOM 429 N LYS A 57 76.047 12.122 -5.797 1.00 0.00 N ATOM 430 CA LYS A 57 77.399 12.415 -6.349 1.00 0.00 C ATOM 431 C LYS A 57 77.949 11.164 -7.030 1.00 0.00 C ATOM 432 O LYS A 57 78.090 11.107 -8.234 1.00 0.00 O ATOM 433 CB LYS A 57 78.265 12.781 -5.141 1.00 0.00 C ATOM 434 CG LYS A 57 77.807 14.121 -4.564 1.00 0.00 C ATOM 435 CD LYS A 57 78.488 15.264 -5.321 1.00 0.00 C ATOM 436 CE LYS A 57 80.009 15.128 -5.197 1.00 0.00 C ATOM 437 NZ LYS A 57 80.439 16.341 -4.447 1.00 0.00 N ATOM 0 H LYS A 57 75.898 12.411 -4.830 1.00 0.00 H new ATOM 0 HA LYS A 57 77.380 13.218 -7.086 1.00 0.00 H new ATOM 0 HB2 LYS A 57 78.193 12.003 -4.381 1.00 0.00 H new ATOM 0 HB3 LYS A 57 79.312 12.841 -5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 57 76.724 14.212 -4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 57 78.054 14.175 -3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 57 78.195 15.244 -6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 57 78.165 16.224 -4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 57 80.283 14.217 -4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 57 80.483 15.080 -6.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 81.410 16.208 -4.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 80.406 17.168 -5.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 79.801 16.495 -3.640 1.00 0.00 H new ATOM 451 N LEU A 58 78.254 10.154 -6.265 1.00 0.00 N ATOM 452 CA LEU A 58 78.790 8.907 -6.868 1.00 0.00 C ATOM 453 C LEU A 58 77.912 8.480 -8.050 1.00 0.00 C ATOM 454 O LEU A 58 78.389 7.926 -9.021 1.00 0.00 O ATOM 455 CB LEU A 58 78.730 7.866 -5.747 1.00 0.00 C ATOM 456 CG LEU A 58 79.741 8.226 -4.658 1.00 0.00 C ATOM 457 CD1 LEU A 58 79.461 7.389 -3.408 1.00 0.00 C ATOM 458 CD2 LEU A 58 81.155 7.932 -5.160 1.00 0.00 C ATOM 0 H LEU A 58 78.155 10.140 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 58 79.803 9.031 -7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.725 7.828 -5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 58 78.947 6.875 -6.145 1.00 0.00 H new ATOM 0 HG LEU A 58 79.653 9.285 -4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 58 80.181 7.644 -2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 58 78.452 7.595 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 58 79.550 6.330 -3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 58 81.877 8.188 -4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 58 81.242 6.873 -5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 58 81.355 8.525 -6.052 1.00 0.00 H new ATOM 470 N LYS A 59 76.634 8.740 -7.976 1.00 0.00 N ATOM 471 CA LYS A 59 75.727 8.358 -9.096 1.00 0.00 C ATOM 472 C LYS A 59 75.919 9.322 -10.267 1.00 0.00 C ATOM 473 O LYS A 59 76.359 8.943 -11.335 1.00 0.00 O ATOM 474 CB LYS A 59 74.316 8.486 -8.520 1.00 0.00 C ATOM 475 CG LYS A 59 73.902 7.162 -7.879 1.00 0.00 C ATOM 476 CD LYS A 59 72.417 6.909 -8.147 1.00 0.00 C ATOM 477 CE LYS A 59 71.581 7.977 -7.439 1.00 0.00 C ATOM 478 NZ LYS A 59 70.753 8.586 -8.517 1.00 0.00 N ATOM 0 H LYS A 59 76.179 9.201 -7.188 1.00 0.00 H new ATOM 0 HA LYS A 59 75.922 7.353 -9.471 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.286 9.285 -7.780 1.00 0.00 H new ATOM 0 HB3 LYS A 59 73.613 8.755 -9.309 1.00 0.00 H new ATOM 0 HG2 LYS A 59 74.500 6.346 -8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 59 74.089 7.191 -6.806 1.00 0.00 H new ATOM 0 HD2 LYS A 59 72.221 6.931 -9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 59 72.136 5.918 -7.792 1.00 0.00 H new ATOM 0 HE2 LYS A 59 70.957 7.539 -6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 59 72.215 8.722 -6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 70.149 9.330 -8.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 71.375 9.000 -9.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 70.156 7.854 -8.952 1.00 0.00 H new ATOM 492 N SER A 60 75.593 10.570 -10.066 1.00 0.00 N ATOM 493 CA SER A 60 75.754 11.580 -11.153 1.00 0.00 C ATOM 494 C SER A 60 77.055 11.333 -11.920 1.00 0.00 C ATOM 495 O SER A 60 77.043 11.024 -13.095 1.00 0.00 O ATOM 496 CB SER A 60 75.810 12.924 -10.429 1.00 0.00 C ATOM 497 OG SER A 60 76.515 12.767 -9.208 1.00 0.00 O ATOM 0 H SER A 60 75.220 10.936 -9.190 1.00 0.00 H new ATOM 0 HA SER A 60 74.944 11.537 -11.882 1.00 0.00 H new ATOM 0 HB2 SER A 60 76.304 13.667 -11.055 1.00 0.00 H new ATOM 0 HB3 SER A 60 74.801 13.289 -10.236 1.00 0.00 H new ATOM 0 HG SER A 60 77.315 13.332 -9.217 1.00 0.00 H new ATOM 503 N GLY A 61 78.179 11.462 -11.267 1.00 0.00 N ATOM 504 CA GLY A 61 79.469 11.227 -11.973 1.00 0.00 C ATOM 505 C GLY A 61 80.623 11.896 -11.215 1.00 0.00 C ATOM 506 O GLY A 61 81.775 11.573 -11.426 1.00 0.00 O ATOM 0 H GLY A 61 78.259 11.718 -10.283 1.00 0.00 H new ATOM 0 HA2 GLY A 61 79.654 10.156 -12.059 1.00 0.00 H new ATOM 0 HA3 GLY A 61 79.413 11.623 -12.987 1.00 0.00 H new ATOM 510 N MET A 62 80.338 12.828 -10.343 1.00 0.00 N ATOM 511 CA MET A 62 81.452 13.498 -9.603 1.00 0.00 C ATOM 512 C MET A 62 82.428 12.447 -9.092 1.00 0.00 C ATOM 513 O MET A 62 82.039 11.345 -8.756 1.00 0.00 O ATOM 514 CB MET A 62 80.846 14.266 -8.408 1.00 0.00 C ATOM 515 CG MET A 62 79.429 13.792 -8.074 1.00 0.00 C ATOM 516 SD MET A 62 78.224 14.862 -8.901 1.00 0.00 S ATOM 517 CE MET A 62 78.816 16.435 -8.237 1.00 0.00 C ATOM 0 H MET A 62 79.398 13.151 -10.113 1.00 0.00 H new ATOM 0 HA MET A 62 81.984 14.185 -10.262 1.00 0.00 H new ATOM 0 HB2 MET A 62 81.485 14.138 -7.534 1.00 0.00 H new ATOM 0 HB3 MET A 62 80.827 15.332 -8.636 1.00 0.00 H new ATOM 0 HG2 MET A 62 79.295 12.759 -8.395 1.00 0.00 H new ATOM 0 HG3 MET A 62 79.271 13.814 -6.996 1.00 0.00 H new ATOM 0 HE1 MET A 62 78.017 16.915 -7.671 1.00 0.00 H new ATOM 0 HE2 MET A 62 79.668 16.256 -7.581 1.00 0.00 H new ATOM 0 HE3 MET A 62 79.120 17.085 -9.058 1.00 0.00 H new ATOM 527 N ARG A 63 83.691 12.780 -9.032 1.00 0.00 N ATOM 528 CA ARG A 63 84.706 11.811 -8.539 1.00 0.00 C ATOM 529 C ARG A 63 84.122 10.983 -7.412 1.00 0.00 C ATOM 530 O ARG A 63 83.237 11.415 -6.713 1.00 0.00 O ATOM 531 CB ARG A 63 85.881 12.608 -7.952 1.00 0.00 C ATOM 532 CG ARG A 63 85.714 14.126 -8.067 1.00 0.00 C ATOM 533 CD ARG A 63 84.491 14.574 -7.249 1.00 0.00 C ATOM 534 NE ARG A 63 84.893 15.871 -6.636 1.00 0.00 N ATOM 535 CZ ARG A 63 83.997 16.796 -6.425 1.00 0.00 C ATOM 536 NH1 ARG A 63 82.783 16.460 -6.083 1.00 0.00 N ATOM 537 NH2 ARG A 63 84.314 18.055 -6.555 1.00 0.00 N ATOM 0 H ARG A 63 84.062 13.689 -9.306 1.00 0.00 H new ATOM 0 HA ARG A 63 85.019 11.166 -9.360 1.00 0.00 H new ATOM 0 HB2 ARG A 63 85.999 12.343 -6.901 1.00 0.00 H new ATOM 0 HB3 ARG A 63 86.799 12.313 -8.461 1.00 0.00 H new ATOM 0 HG2 ARG A 63 86.611 14.629 -7.705 1.00 0.00 H new ATOM 0 HG3 ARG A 63 85.589 14.410 -9.112 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.613 14.693 -7.884 1.00 0.00 H new ATOM 0 HD3 ARG A 63 84.235 13.839 -6.486 1.00 0.00 H new ATOM 0 HE ARG A 63 85.867 16.036 -6.382 1.00 0.00 H new ATOM 0 HH11 ARG A 63 82.536 15.476 -5.981 1.00 0.00 H new ATOM 0 HH12 ARG A 63 82.081 17.182 -5.918 1.00 0.00 H new ATOM 0 HH21 ARG A 63 85.263 18.317 -6.822 1.00 0.00 H new ATOM 0 HH22 ARG A 63 83.613 18.777 -6.390 1.00 0.00 H new ATOM 551 N PHE A 64 84.627 9.815 -7.212 1.00 0.00 N ATOM 552 CA PHE A 64 84.121 8.978 -6.103 1.00 0.00 C ATOM 553 C PHE A 64 84.939 9.249 -4.842 1.00 0.00 C ATOM 554 O PHE A 64 84.458 9.084 -3.742 1.00 0.00 O ATOM 555 CB PHE A 64 84.295 7.531 -6.566 1.00 0.00 C ATOM 556 CG PHE A 64 83.271 7.202 -7.630 1.00 0.00 C ATOM 557 CD1 PHE A 64 82.467 8.211 -8.179 1.00 0.00 C ATOM 558 CD2 PHE A 64 83.130 5.882 -8.072 1.00 0.00 C ATOM 559 CE1 PHE A 64 81.525 7.899 -9.165 1.00 0.00 C ATOM 560 CE2 PHE A 64 82.188 5.569 -9.058 1.00 0.00 C ATOM 561 CZ PHE A 64 81.385 6.577 -9.606 1.00 0.00 C ATOM 0 H PHE A 64 85.372 9.397 -7.769 1.00 0.00 H new ATOM 0 HA PHE A 64 83.079 9.191 -5.864 1.00 0.00 H new ATOM 0 HB2 PHE A 64 85.301 7.385 -6.960 1.00 0.00 H new ATOM 0 HB3 PHE A 64 84.183 6.854 -5.720 1.00 0.00 H new ATOM 0 HD1 PHE A 64 82.575 9.231 -7.840 1.00 0.00 H new ATOM 0 HD2 PHE A 64 83.749 5.104 -7.651 1.00 0.00 H new ATOM 0 HE1 PHE A 64 80.906 8.677 -9.586 1.00 0.00 H new ATOM 0 HE2 PHE A 64 82.080 4.549 -9.397 1.00 0.00 H new ATOM 0 HZ PHE A 64 80.659 6.335 -10.368 1.00 0.00 H new ATOM 571 N ASN A 65 86.188 9.618 -4.992 1.00 0.00 N ATOM 572 CA ASN A 65 87.043 9.840 -3.790 1.00 0.00 C ATOM 573 C ASN A 65 86.895 11.241 -3.203 1.00 0.00 C ATOM 574 O ASN A 65 87.048 11.414 -2.019 1.00 0.00 O ATOM 575 CB ASN A 65 88.477 9.602 -4.265 1.00 0.00 C ATOM 576 CG ASN A 65 88.759 10.463 -5.497 1.00 0.00 C ATOM 577 OD1 ASN A 65 89.039 11.640 -5.380 1.00 0.00 O ATOM 578 ND2 ASN A 65 88.697 9.923 -6.683 1.00 0.00 N ATOM 0 H ASN A 65 86.648 9.774 -5.889 1.00 0.00 H new ATOM 0 HA ASN A 65 86.749 9.166 -2.986 1.00 0.00 H new ATOM 0 HB2 ASN A 65 89.180 9.847 -3.469 1.00 0.00 H new ATOM 0 HB3 ASN A 65 88.621 8.548 -4.504 1.00 0.00 H new ATOM 0 HD21 ASN A 65 88.883 10.488 -7.511 1.00 0.00 H new ATOM 0 HD22 ASN A 65 88.462 8.935 -6.782 1.00 0.00 H new ATOM 585 N GLU A 66 86.596 12.240 -3.982 1.00 0.00 N ATOM 586 CA GLU A 66 86.443 13.592 -3.371 1.00 0.00 C ATOM 587 C GLU A 66 85.205 13.545 -2.486 1.00 0.00 C ATOM 588 O GLU A 66 85.248 13.808 -1.294 1.00 0.00 O ATOM 589 CB GLU A 66 86.270 14.557 -4.539 1.00 0.00 C ATOM 590 CG GLU A 66 87.604 14.696 -5.279 1.00 0.00 C ATOM 591 CD GLU A 66 88.716 14.996 -4.272 1.00 0.00 C ATOM 592 OE1 GLU A 66 88.732 16.098 -3.748 1.00 0.00 O ATOM 593 OE2 GLU A 66 89.533 14.120 -4.043 1.00 0.00 O ATOM 0 H GLU A 66 86.453 12.186 -4.991 1.00 0.00 H new ATOM 0 HA GLU A 66 87.290 13.905 -2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 66 85.500 14.191 -5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 66 85.938 15.530 -4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.828 13.778 -5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.541 15.496 -6.017 1.00 0.00 H new ATOM 600 N VAL A 67 84.109 13.139 -3.054 1.00 0.00 N ATOM 601 CA VAL A 67 82.888 12.994 -2.235 1.00 0.00 C ATOM 602 C VAL A 67 83.247 12.039 -1.113 1.00 0.00 C ATOM 603 O VAL A 67 83.354 12.419 0.037 1.00 0.00 O ATOM 604 CB VAL A 67 81.758 12.397 -3.136 1.00 0.00 C ATOM 605 CG1 VAL A 67 82.294 11.801 -4.437 1.00 0.00 C ATOM 606 CG2 VAL A 67 81.005 11.293 -2.394 1.00 0.00 C ATOM 0 H VAL A 67 84.009 12.904 -4.041 1.00 0.00 H new ATOM 0 HA VAL A 67 82.535 13.942 -1.829 1.00 0.00 H new ATOM 0 HB VAL A 67 81.096 13.229 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 67 81.466 11.402 -5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 67 82.803 12.576 -5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 67 82.996 10.999 -4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 67 80.223 10.890 -3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 67 81.699 10.497 -2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 67 80.555 11.704 -1.490 1.00 0.00 H new ATOM 616 N ALA A 68 83.462 10.798 -1.451 1.00 0.00 N ATOM 617 CA ALA A 68 83.827 9.808 -0.414 1.00 0.00 C ATOM 618 C ALA A 68 84.869 10.420 0.516 1.00 0.00 C ATOM 619 O ALA A 68 84.877 10.146 1.693 1.00 0.00 O ATOM 620 CB ALA A 68 84.385 8.608 -1.174 1.00 0.00 C ATOM 0 H ALA A 68 83.399 10.432 -2.401 1.00 0.00 H new ATOM 0 HA ALA A 68 82.982 9.509 0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 68 84.677 7.833 -0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 68 83.622 8.217 -1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.255 8.917 -1.753 1.00 0.00 H new ATOM 626 N ALA A 69 85.736 11.276 0.010 1.00 0.00 N ATOM 627 CA ALA A 69 86.748 11.915 0.908 1.00 0.00 C ATOM 628 C ALA A 69 86.046 12.277 2.203 1.00 0.00 C ATOM 629 O ALA A 69 86.222 11.636 3.215 1.00 0.00 O ATOM 630 CB ALA A 69 87.245 13.174 0.192 1.00 0.00 C ATOM 0 H ALA A 69 85.783 11.553 -0.971 1.00 0.00 H new ATOM 0 HA ALA A 69 87.590 11.260 1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 69 87.988 13.676 0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 69 87.695 12.897 -0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 69 86.406 13.847 0.015 1.00 0.00 H new ATOM 636 N GLN A 70 85.215 13.272 2.177 1.00 0.00 N ATOM 637 CA GLN A 70 84.485 13.610 3.401 1.00 0.00 C ATOM 638 C GLN A 70 83.168 12.861 3.475 1.00 0.00 C ATOM 639 O GLN A 70 82.871 12.199 4.450 1.00 0.00 O ATOM 640 CB GLN A 70 84.199 15.080 3.324 1.00 0.00 C ATOM 641 CG GLN A 70 84.487 15.607 4.711 1.00 0.00 C ATOM 642 CD GLN A 70 83.585 14.866 5.732 1.00 0.00 C ATOM 643 OE1 GLN A 70 83.911 13.658 6.174 1.00 0.00 O flip ATOM 644 NE2 GLN A 70 82.565 15.391 6.135 1.00 0.00 N flip ATOM 0 H GLN A 70 85.016 13.856 1.365 1.00 0.00 H new ATOM 0 HA GLN A 70 85.072 13.342 4.279 1.00 0.00 H new ATOM 0 HB2 GLN A 70 84.828 15.566 2.578 1.00 0.00 H new ATOM 0 HB3 GLN A 70 83.164 15.266 3.038 1.00 0.00 H new ATOM 0 HG2 GLN A 70 85.538 15.458 4.959 1.00 0.00 H new ATOM 0 HG3 GLN A 70 84.299 16.680 4.752 1.00 0.00 H new ATOM 0 HE21 GLN A 70 82.304 16.319 5.803 1.00 0.00 H new ATOM 0 HE22 GLN A 70 81.971 14.903 6.805 1.00 0.00 H new ATOM 653 N TYR A 71 82.377 12.988 2.445 1.00 0.00 N ATOM 654 CA TYR A 71 81.053 12.312 2.403 1.00 0.00 C ATOM 655 C TYR A 71 81.183 10.954 3.085 1.00 0.00 C ATOM 656 O TYR A 71 80.282 10.496 3.759 1.00 0.00 O ATOM 657 CB TYR A 71 80.692 12.207 0.915 1.00 0.00 C ATOM 658 CG TYR A 71 80.340 13.592 0.383 1.00 0.00 C ATOM 659 CD1 TYR A 71 81.345 14.531 0.059 1.00 0.00 C ATOM 660 CD2 TYR A 71 78.993 13.941 0.218 1.00 0.00 C ATOM 661 CE1 TYR A 71 80.990 15.797 -0.422 1.00 0.00 C ATOM 662 CE2 TYR A 71 78.648 15.209 -0.263 1.00 0.00 C ATOM 663 CZ TYR A 71 79.643 16.135 -0.582 1.00 0.00 C ATOM 664 OH TYR A 71 79.298 17.385 -1.054 1.00 0.00 O ATOM 0 H TYR A 71 82.598 13.542 1.617 1.00 0.00 H new ATOM 0 HA TYR A 71 80.264 12.849 2.930 1.00 0.00 H new ATOM 0 HB2 TYR A 71 81.529 11.791 0.354 1.00 0.00 H new ATOM 0 HB3 TYR A 71 79.850 11.528 0.780 1.00 0.00 H new ATOM 0 HD1 TYR A 71 82.386 14.272 0.182 1.00 0.00 H new ATOM 0 HD2 TYR A 71 78.219 13.229 0.463 1.00 0.00 H new ATOM 0 HE1 TYR A 71 81.759 16.514 -0.670 1.00 0.00 H new ATOM 0 HE2 TYR A 71 77.608 15.472 -0.388 1.00 0.00 H new ATOM 0 HH TYR A 71 78.322 17.457 -1.107 1.00 0.00 H new ATOM 674 N SER A 72 82.342 10.352 2.995 1.00 0.00 N ATOM 675 CA SER A 72 82.560 9.085 3.726 1.00 0.00 C ATOM 676 C SER A 72 83.085 9.471 5.111 1.00 0.00 C ATOM 677 O SER A 72 84.270 9.420 5.361 1.00 0.00 O ATOM 678 CB SER A 72 83.629 8.320 2.944 1.00 0.00 C ATOM 679 OG SER A 72 83.610 6.953 3.325 1.00 0.00 O ATOM 0 H SER A 72 83.136 10.686 2.449 1.00 0.00 H new ATOM 0 HA SER A 72 81.663 8.474 3.827 1.00 0.00 H new ATOM 0 HB2 SER A 72 83.447 8.412 1.873 1.00 0.00 H new ATOM 0 HB3 SER A 72 84.612 8.748 3.138 1.00 0.00 H new ATOM 0 HG SER A 72 83.411 6.398 2.542 1.00 0.00 H new ATOM 685 N GLU A 73 82.213 9.900 5.989 1.00 0.00 N ATOM 686 CA GLU A 73 82.631 10.335 7.342 1.00 0.00 C ATOM 687 C GLU A 73 83.226 9.157 8.100 1.00 0.00 C ATOM 688 O GLU A 73 82.728 8.721 9.119 1.00 0.00 O ATOM 689 CB GLU A 73 81.340 10.834 7.983 1.00 0.00 C ATOM 690 CG GLU A 73 81.581 11.093 9.457 1.00 0.00 C ATOM 691 CD GLU A 73 81.528 12.599 9.731 1.00 0.00 C ATOM 692 OE1 GLU A 73 80.563 13.224 9.323 1.00 0.00 O ATOM 693 OE2 GLU A 73 82.455 13.102 10.346 1.00 0.00 O ATOM 0 H GLU A 73 81.210 9.965 5.814 1.00 0.00 H new ATOM 0 HA GLU A 73 83.400 11.107 7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 73 81.006 11.747 7.491 1.00 0.00 H new ATOM 0 HB3 GLU A 73 80.548 10.096 7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 73 80.829 10.578 10.055 1.00 0.00 H new ATOM 0 HG3 GLU A 73 82.551 10.694 9.753 1.00 0.00 H new ATOM 700 N ASP A 74 84.294 8.649 7.578 1.00 0.00 N ATOM 701 CA ASP A 74 84.984 7.481 8.211 1.00 0.00 C ATOM 702 C ASP A 74 86.044 6.901 7.261 1.00 0.00 C ATOM 703 O ASP A 74 87.219 7.188 7.376 1.00 0.00 O ATOM 704 CB ASP A 74 83.880 6.453 8.469 1.00 0.00 C ATOM 705 CG ASP A 74 84.499 5.072 8.699 1.00 0.00 C ATOM 706 OD1 ASP A 74 85.215 4.922 9.675 1.00 0.00 O ATOM 707 OD2 ASP A 74 84.245 4.190 7.895 1.00 0.00 O ATOM 0 H ASP A 74 84.734 8.992 6.724 1.00 0.00 H new ATOM 0 HA ASP A 74 85.502 7.763 9.128 1.00 0.00 H new ATOM 0 HB2 ASP A 74 83.293 6.747 9.339 1.00 0.00 H new ATOM 0 HB3 ASP A 74 83.197 6.419 7.620 1.00 0.00 H new ATOM 712 N LYS A 75 85.638 6.071 6.333 1.00 0.00 N ATOM 713 CA LYS A 75 86.621 5.458 5.388 1.00 0.00 C ATOM 714 C LYS A 75 87.177 6.508 4.421 1.00 0.00 C ATOM 715 O LYS A 75 88.188 6.297 3.781 1.00 0.00 O ATOM 716 CB LYS A 75 85.828 4.397 4.625 1.00 0.00 C ATOM 717 CG LYS A 75 86.252 3.005 5.097 1.00 0.00 C ATOM 718 CD LYS A 75 87.773 2.874 5.007 1.00 0.00 C ATOM 719 CE LYS A 75 88.353 2.698 6.410 1.00 0.00 C ATOM 720 NZ LYS A 75 89.821 2.546 6.200 1.00 0.00 N ATOM 0 H LYS A 75 84.668 5.791 6.189 1.00 0.00 H new ATOM 0 HA LYS A 75 87.478 5.035 5.913 1.00 0.00 H new ATOM 0 HB2 LYS A 75 84.760 4.538 4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 75 86.002 4.498 3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 75 85.923 2.842 6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 75 85.774 2.241 4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 75 88.039 2.021 4.382 1.00 0.00 H new ATOM 0 HD3 LYS A 75 88.198 3.760 4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 75 88.131 3.559 7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 75 87.932 1.823 6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 90.292 2.420 7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 90.002 1.715 5.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 90.195 3.397 5.733 1.00 0.00 H new ATOM 734 N ALA A 76 86.526 7.637 4.318 1.00 0.00 N ATOM 735 CA ALA A 76 87.006 8.725 3.403 1.00 0.00 C ATOM 736 C ALA A 76 86.705 8.413 1.940 1.00 0.00 C ATOM 737 O ALA A 76 85.789 7.685 1.613 1.00 0.00 O ATOM 738 CB ALA A 76 88.516 8.807 3.595 1.00 0.00 C ATOM 0 H ALA A 76 85.673 7.858 4.832 1.00 0.00 H new ATOM 0 HA ALA A 76 86.500 9.661 3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 76 88.923 9.586 2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 76 88.738 9.044 4.636 1.00 0.00 H new ATOM 0 HB3 ALA A 76 88.968 7.850 3.336 1.00 0.00 H new ATOM 744 N ARG A 77 87.486 8.978 1.057 1.00 0.00 N ATOM 745 CA ARG A 77 87.280 8.747 -0.398 1.00 0.00 C ATOM 746 C ARG A 77 87.021 7.265 -0.657 1.00 0.00 C ATOM 747 O ARG A 77 87.429 6.426 0.118 1.00 0.00 O ATOM 748 CB ARG A 77 88.595 9.172 -1.055 1.00 0.00 C ATOM 749 CG ARG A 77 89.774 8.628 -0.246 1.00 0.00 C ATOM 750 CD ARG A 77 90.492 9.786 0.449 1.00 0.00 C ATOM 751 NE ARG A 77 91.679 10.063 -0.408 1.00 0.00 N ATOM 752 CZ ARG A 77 92.421 11.110 -0.173 1.00 0.00 C ATOM 753 NH1 ARG A 77 92.114 12.261 -0.707 1.00 0.00 N ATOM 754 NH2 ARG A 77 93.471 11.006 0.595 1.00 0.00 N ATOM 0 H ARG A 77 88.265 9.595 1.287 1.00 0.00 H new ATOM 0 HA ARG A 77 86.427 9.301 -0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 77 88.640 8.798 -2.078 1.00 0.00 H new ATOM 0 HB3 ARG A 77 88.650 10.259 -1.111 1.00 0.00 H new ATOM 0 HG2 ARG A 77 89.421 7.909 0.493 1.00 0.00 H new ATOM 0 HG3 ARG A 77 90.465 8.098 -0.901 1.00 0.00 H new ATOM 0 HD2 ARG A 77 89.847 10.661 0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 77 90.789 9.517 1.462 1.00 0.00 H new ATOM 0 HE ARG A 77 91.911 9.435 -1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 77 91.294 12.342 -1.308 1.00 0.00 H new ATOM 0 HH12 ARG A 77 92.694 13.079 -0.523 1.00 0.00 H new ATOM 0 HH21 ARG A 77 93.711 10.106 1.011 1.00 0.00 H new ATOM 0 HH22 ARG A 77 94.051 11.824 0.779 1.00 0.00 H new ATOM 768 N GLN A 78 86.388 6.909 -1.751 1.00 0.00 N ATOM 769 CA GLN A 78 86.194 5.461 -2.011 1.00 0.00 C ATOM 770 C GLN A 78 87.564 4.822 -1.900 1.00 0.00 C ATOM 771 O GLN A 78 87.706 3.659 -1.597 1.00 0.00 O ATOM 772 CB GLN A 78 85.644 5.347 -3.428 1.00 0.00 C ATOM 773 CG GLN A 78 84.147 5.669 -3.422 1.00 0.00 C ATOM 774 CD GLN A 78 83.433 4.754 -2.424 1.00 0.00 C ATOM 775 OE1 GLN A 78 83.988 3.770 -1.979 1.00 0.00 O ATOM 776 NE2 GLN A 78 82.213 5.035 -2.057 1.00 0.00 N ATOM 0 H GLN A 78 86.009 7.545 -2.453 1.00 0.00 H new ATOM 0 HA GLN A 78 85.509 4.973 -1.318 1.00 0.00 H new ATOM 0 HB2 GLN A 78 86.172 6.033 -4.091 1.00 0.00 H new ATOM 0 HB3 GLN A 78 85.809 4.341 -3.814 1.00 0.00 H new ATOM 0 HG2 GLN A 78 83.990 6.713 -3.152 1.00 0.00 H new ATOM 0 HG3 GLN A 78 83.731 5.532 -4.420 1.00 0.00 H new ATOM 0 HE21 GLN A 78 81.746 5.861 -2.430 1.00 0.00 H new ATOM 0 HE22 GLN A 78 81.726 4.428 -1.397 1.00 0.00 H new ATOM 785 N GLY A 79 88.585 5.616 -2.106 1.00 0.00 N ATOM 786 CA GLY A 79 89.960 5.105 -1.964 1.00 0.00 C ATOM 787 C GLY A 79 90.026 4.382 -0.622 1.00 0.00 C ATOM 788 O GLY A 79 90.800 3.468 -0.418 1.00 0.00 O ATOM 0 H GLY A 79 88.513 6.599 -2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 79 90.206 4.427 -2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 79 90.681 5.921 -1.999 1.00 0.00 H new ATOM 792 N GLY A 80 89.187 4.800 0.289 1.00 0.00 N ATOM 793 CA GLY A 80 89.137 4.172 1.633 1.00 0.00 C ATOM 794 C GLY A 80 88.671 2.723 1.497 1.00 0.00 C ATOM 795 O GLY A 80 88.742 1.953 2.433 1.00 0.00 O ATOM 0 H GLY A 80 88.525 5.564 0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 80 90.121 4.207 2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 80 88.457 4.725 2.280 1.00 0.00 H new ATOM 799 N ASP A 81 88.187 2.356 0.334 1.00 0.00 N ATOM 800 CA ASP A 81 87.705 0.958 0.110 1.00 0.00 C ATOM 801 C ASP A 81 88.519 -0.043 0.936 1.00 0.00 C ATOM 802 O ASP A 81 89.636 -0.378 0.595 1.00 0.00 O ATOM 803 CB ASP A 81 87.922 0.709 -1.383 1.00 0.00 C ATOM 804 CG ASP A 81 87.460 -0.705 -1.741 1.00 0.00 C ATOM 805 OD1 ASP A 81 87.614 -1.586 -0.910 1.00 0.00 O ATOM 806 OD2 ASP A 81 86.958 -0.883 -2.838 1.00 0.00 O ATOM 0 H ASP A 81 88.105 2.971 -0.475 1.00 0.00 H new ATOM 0 HA ASP A 81 86.665 0.834 0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 81 87.368 1.443 -1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 81 88.976 0.832 -1.633 1.00 0.00 H new ATOM 811 N LEU A 82 87.965 -0.521 2.019 1.00 0.00 N ATOM 812 CA LEU A 82 88.703 -1.500 2.867 1.00 0.00 C ATOM 813 C LEU A 82 89.442 -2.512 1.987 1.00 0.00 C ATOM 814 O LEU A 82 90.549 -2.912 2.284 1.00 0.00 O ATOM 815 CB LEU A 82 87.621 -2.191 3.699 1.00 0.00 C ATOM 816 CG LEU A 82 87.553 -1.537 5.079 1.00 0.00 C ATOM 817 CD1 LEU A 82 86.589 -0.350 5.040 1.00 0.00 C ATOM 818 CD2 LEU A 82 87.059 -2.560 6.105 1.00 0.00 C ATOM 0 H LEU A 82 87.033 -0.275 2.352 1.00 0.00 H new ATOM 0 HA LEU A 82 89.456 -1.023 3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 82 86.656 -2.113 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 82 87.844 -3.253 3.798 1.00 0.00 H new ATOM 0 HG LEU A 82 88.546 -1.187 5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 82 86.543 0.114 6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 82 86.940 0.380 4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 82 85.596 -0.697 4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 82 87.010 -2.094 7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 82 86.067 -2.911 5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 82 87.747 -3.405 6.137 1.00 0.00 H new ATOM 830 N GLY A 83 88.843 -2.920 0.901 1.00 0.00 N ATOM 831 CA GLY A 83 89.521 -3.894 0.000 1.00 0.00 C ATOM 832 C GLY A 83 88.887 -5.279 0.154 1.00 0.00 C ATOM 833 O GLY A 83 87.897 -5.451 0.836 1.00 0.00 O ATOM 0 H GLY A 83 87.915 -2.621 0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.441 -3.561 -1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.584 -3.943 0.238 1.00 0.00 H new ATOM 837 N TRP A 84 89.458 -6.266 -0.482 1.00 0.00 N ATOM 838 CA TRP A 84 88.905 -7.648 -0.388 1.00 0.00 C ATOM 839 C TRP A 84 88.732 -8.051 1.078 1.00 0.00 C ATOM 840 O TRP A 84 89.603 -7.833 1.897 1.00 0.00 O ATOM 841 CB TRP A 84 89.952 -8.518 -1.085 1.00 0.00 C ATOM 842 CG TRP A 84 89.782 -8.376 -2.554 1.00 0.00 C ATOM 843 CD1 TRP A 84 90.421 -7.467 -3.305 1.00 0.00 C ATOM 844 CD2 TRP A 84 88.930 -9.134 -3.454 1.00 0.00 C ATOM 845 NE1 TRP A 84 90.010 -7.601 -4.620 1.00 0.00 N ATOM 846 CE2 TRP A 84 89.089 -8.618 -4.762 1.00 0.00 C ATOM 847 CE3 TRP A 84 88.040 -10.204 -3.266 1.00 0.00 C ATOM 848 CZ2 TRP A 84 88.387 -9.146 -5.845 1.00 0.00 C ATOM 849 CZ3 TRP A 84 87.334 -10.739 -4.352 1.00 0.00 C ATOM 850 CH2 TRP A 84 87.503 -10.209 -5.639 1.00 0.00 C ATOM 0 H TRP A 84 90.289 -6.174 -1.066 1.00 0.00 H new ATOM 0 HA TRP A 84 87.921 -7.747 -0.847 1.00 0.00 H new ATOM 0 HB2 TRP A 84 90.956 -8.213 -0.789 1.00 0.00 H new ATOM 0 HB3 TRP A 84 89.835 -9.561 -0.789 1.00 0.00 H new ATOM 0 HD1 TRP A 84 91.140 -6.747 -2.943 1.00 0.00 H new ATOM 0 HE1 TRP A 84 90.346 -7.020 -5.388 1.00 0.00 H new ATOM 0 HE3 TRP A 84 87.899 -10.617 -2.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 88.525 -8.737 -6.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 86.655 -11.565 -4.197 1.00 0.00 H new ATOM 0 HH2 TRP A 84 86.951 -10.622 -6.470 1.00 0.00 H new ATOM 861 N MET A 85 87.611 -8.631 1.420 1.00 0.00 N ATOM 862 CA MET A 85 87.393 -9.034 2.841 1.00 0.00 C ATOM 863 C MET A 85 86.481 -10.260 2.918 1.00 0.00 C ATOM 864 O MET A 85 85.625 -10.464 2.081 1.00 0.00 O ATOM 865 CB MET A 85 86.723 -7.826 3.495 1.00 0.00 C ATOM 866 CG MET A 85 87.752 -6.707 3.672 1.00 0.00 C ATOM 867 SD MET A 85 89.106 -7.292 4.721 1.00 0.00 S ATOM 868 CE MET A 85 90.261 -5.943 4.375 1.00 0.00 C ATOM 0 H MET A 85 86.843 -8.842 0.783 1.00 0.00 H new ATOM 0 HA MET A 85 88.325 -9.306 3.337 1.00 0.00 H new ATOM 0 HB2 MET A 85 85.894 -7.478 2.879 1.00 0.00 H new ATOM 0 HB3 MET A 85 86.305 -8.107 4.462 1.00 0.00 H new ATOM 0 HG2 MET A 85 88.138 -6.397 2.701 1.00 0.00 H new ATOM 0 HG3 MET A 85 87.281 -5.833 4.122 1.00 0.00 H new ATOM 0 HE1 MET A 85 91.033 -5.918 5.145 1.00 0.00 H new ATOM 0 HE2 MET A 85 90.725 -6.102 3.401 1.00 0.00 H new ATOM 0 HE3 MET A 85 89.723 -4.995 4.370 1.00 0.00 H new ATOM 878 N THR A 86 86.654 -11.073 3.924 1.00 0.00 N ATOM 879 CA THR A 86 85.795 -12.284 4.062 1.00 0.00 C ATOM 880 C THR A 86 85.147 -12.314 5.448 1.00 0.00 C ATOM 881 O THR A 86 85.716 -11.856 6.419 1.00 0.00 O ATOM 882 CB THR A 86 86.746 -13.468 3.886 1.00 0.00 C ATOM 883 OG1 THR A 86 88.071 -13.059 4.195 1.00 0.00 O ATOM 884 CG2 THR A 86 86.687 -13.963 2.440 1.00 0.00 C ATOM 0 H THR A 86 87.353 -10.951 4.657 1.00 0.00 H new ATOM 0 HA THR A 86 84.985 -12.303 3.332 1.00 0.00 H new ATOM 0 HB THR A 86 86.449 -14.275 4.556 1.00 0.00 H new ATOM 0 HG1 THR A 86 88.682 -13.817 4.084 1.00 0.00 H new ATOM 0 HG21 THR A 86 87.366 -14.807 2.316 1.00 0.00 H new ATOM 0 HG22 THR A 86 85.670 -14.277 2.204 1.00 0.00 H new ATOM 0 HG23 THR A 86 86.983 -13.158 1.767 1.00 0.00 H new ATOM 892 N ARG A 87 83.959 -12.846 5.547 1.00 0.00 N ATOM 893 CA ARG A 87 83.275 -12.902 6.871 1.00 0.00 C ATOM 894 C ARG A 87 84.266 -13.314 7.963 1.00 0.00 C ATOM 895 O ARG A 87 84.948 -14.313 7.853 1.00 0.00 O ATOM 896 CB ARG A 87 82.184 -13.961 6.708 1.00 0.00 C ATOM 897 CG ARG A 87 80.810 -13.301 6.841 1.00 0.00 C ATOM 898 CD ARG A 87 80.075 -13.892 8.045 1.00 0.00 C ATOM 899 NE ARG A 87 78.631 -13.650 7.768 1.00 0.00 N ATOM 900 CZ ARG A 87 77.988 -14.426 6.938 1.00 0.00 C ATOM 901 NH1 ARG A 87 77.922 -15.710 7.164 1.00 0.00 N ATOM 902 NH2 ARG A 87 77.412 -13.917 5.883 1.00 0.00 N ATOM 0 H ARG A 87 83.433 -13.244 4.769 1.00 0.00 H new ATOM 0 HA ARG A 87 82.865 -11.936 7.165 1.00 0.00 H new ATOM 0 HB2 ARG A 87 82.274 -14.445 5.736 1.00 0.00 H new ATOM 0 HB3 ARG A 87 82.301 -14.738 7.463 1.00 0.00 H new ATOM 0 HG2 ARG A 87 80.922 -12.224 6.963 1.00 0.00 H new ATOM 0 HG3 ARG A 87 80.229 -13.460 5.933 1.00 0.00 H new ATOM 0 HD2 ARG A 87 80.284 -14.956 8.152 1.00 0.00 H new ATOM 0 HD3 ARG A 87 80.386 -13.411 8.973 1.00 0.00 H new ATOM 0 HE ARG A 87 78.145 -12.879 8.226 1.00 0.00 H new ATOM 0 HH11 ARG A 87 78.373 -16.107 7.989 1.00 0.00 H new ATOM 0 HH12 ARG A 87 77.420 -16.317 6.516 1.00 0.00 H new ATOM 0 HH21 ARG A 87 77.464 -12.914 5.707 1.00 0.00 H new ATOM 0 HH22 ARG A 87 76.910 -14.523 5.234 1.00 0.00 H new ATOM 916 N GLY A 88 84.350 -12.550 9.017 1.00 0.00 N ATOM 917 CA GLY A 88 85.297 -12.895 10.115 1.00 0.00 C ATOM 918 C GLY A 88 85.934 -11.615 10.660 1.00 0.00 C ATOM 919 O GLY A 88 86.531 -11.608 11.718 1.00 0.00 O ATOM 0 H GLY A 88 83.804 -11.701 9.166 1.00 0.00 H new ATOM 0 HA2 GLY A 88 84.771 -13.420 10.912 1.00 0.00 H new ATOM 0 HA3 GLY A 88 86.069 -13.569 9.745 1.00 0.00 H new ATOM 923 N SER A 89 85.810 -10.530 9.946 1.00 0.00 N ATOM 924 CA SER A 89 86.407 -9.250 10.423 1.00 0.00 C ATOM 925 C SER A 89 85.757 -8.063 9.708 1.00 0.00 C ATOM 926 O SER A 89 86.414 -7.296 9.034 1.00 0.00 O ATOM 927 CB SER A 89 87.890 -9.346 10.062 1.00 0.00 C ATOM 928 OG SER A 89 88.648 -9.588 11.237 1.00 0.00 O ATOM 0 H SER A 89 85.321 -10.474 9.053 1.00 0.00 H new ATOM 0 HA SER A 89 86.256 -9.098 11.492 1.00 0.00 H new ATOM 0 HB2 SER A 89 88.049 -10.149 9.342 1.00 0.00 H new ATOM 0 HB3 SER A 89 88.220 -8.422 9.587 1.00 0.00 H new ATOM 0 HG SER A 89 88.231 -10.309 11.753 1.00 0.00 H new ATOM 934 N MET A 90 84.468 -7.905 9.850 1.00 0.00 N ATOM 935 CA MET A 90 83.778 -6.767 9.178 1.00 0.00 C ATOM 936 C MET A 90 82.483 -6.419 9.918 1.00 0.00 C ATOM 937 O MET A 90 81.417 -6.379 9.338 1.00 0.00 O ATOM 938 CB MET A 90 83.472 -7.268 7.767 1.00 0.00 C ATOM 939 CG MET A 90 83.736 -6.146 6.761 1.00 0.00 C ATOM 940 SD MET A 90 83.908 -6.852 5.102 1.00 0.00 S ATOM 941 CE MET A 90 82.193 -6.616 4.576 1.00 0.00 C ATOM 0 H MET A 90 83.864 -8.514 10.402 1.00 0.00 H new ATOM 0 HA MET A 90 84.388 -5.864 9.167 1.00 0.00 H new ATOM 0 HB2 MET A 90 84.092 -8.134 7.534 1.00 0.00 H new ATOM 0 HB3 MET A 90 82.434 -7.593 7.702 1.00 0.00 H new ATOM 0 HG2 MET A 90 82.917 -5.427 6.779 1.00 0.00 H new ATOM 0 HG3 MET A 90 84.642 -5.604 7.033 1.00 0.00 H new ATOM 0 HE1 MET A 90 81.989 -7.242 3.707 1.00 0.00 H new ATOM 0 HE2 MET A 90 81.522 -6.893 5.389 1.00 0.00 H new ATOM 0 HE3 MET A 90 82.033 -5.570 4.315 1.00 0.00 H new ATOM 951 N VAL A 91 82.567 -6.165 11.196 1.00 0.00 N ATOM 952 CA VAL A 91 81.340 -5.817 11.970 1.00 0.00 C ATOM 953 C VAL A 91 80.315 -6.953 11.879 1.00 0.00 C ATOM 954 O VAL A 91 80.529 -7.941 11.205 1.00 0.00 O ATOM 955 CB VAL A 91 80.801 -4.550 11.307 1.00 0.00 C ATOM 956 CG1 VAL A 91 79.669 -3.970 12.156 1.00 0.00 C ATOM 957 CG2 VAL A 91 81.926 -3.520 11.186 1.00 0.00 C ATOM 0 H VAL A 91 83.431 -6.183 11.737 1.00 0.00 H new ATOM 0 HA VAL A 91 81.548 -5.665 13.029 1.00 0.00 H new ATOM 0 HB VAL A 91 80.422 -4.794 10.315 1.00 0.00 H new ATOM 0 HG11 VAL A 91 79.285 -3.066 11.682 1.00 0.00 H new ATOM 0 HG12 VAL A 91 78.867 -4.703 12.243 1.00 0.00 H new ATOM 0 HG13 VAL A 91 80.047 -3.727 13.149 1.00 0.00 H new ATOM 0 HG21 VAL A 91 81.542 -2.616 10.713 1.00 0.00 H new ATOM 0 HG22 VAL A 91 82.305 -3.277 12.179 1.00 0.00 H new ATOM 0 HG23 VAL A 91 82.733 -3.932 10.580 1.00 0.00 H new ATOM 967 N GLY A 92 79.208 -6.821 12.558 1.00 0.00 N ATOM 968 CA GLY A 92 78.174 -7.896 12.516 1.00 0.00 C ATOM 969 C GLY A 92 77.156 -7.602 11.408 1.00 0.00 C ATOM 970 O GLY A 92 77.147 -8.264 10.388 1.00 0.00 O ATOM 0 H GLY A 92 78.974 -6.016 13.140 1.00 0.00 H new ATOM 0 HA2 GLY A 92 78.648 -8.861 12.339 1.00 0.00 H new ATOM 0 HA3 GLY A 92 77.667 -7.962 13.479 1.00 0.00 H new ATOM 974 N PRO A 93 76.319 -6.619 11.643 1.00 0.00 N ATOM 975 CA PRO A 93 75.280 -6.247 10.651 1.00 0.00 C ATOM 976 C PRO A 93 75.915 -5.841 9.318 1.00 0.00 C ATOM 977 O PRO A 93 75.413 -6.161 8.260 1.00 0.00 O ATOM 978 CB PRO A 93 74.590 -5.052 11.319 1.00 0.00 C ATOM 979 CG PRO A 93 75.263 -4.789 12.680 1.00 0.00 C ATOM 980 CD PRO A 93 76.365 -5.834 12.899 1.00 0.00 C ATOM 0 HA PRO A 93 74.597 -7.062 10.411 1.00 0.00 H new ATOM 0 HB2 PRO A 93 74.665 -4.169 10.684 1.00 0.00 H new ATOM 0 HB3 PRO A 93 73.528 -5.257 11.456 1.00 0.00 H new ATOM 0 HG2 PRO A 93 75.686 -3.785 12.704 1.00 0.00 H new ATOM 0 HG3 PRO A 93 74.527 -4.844 13.482 1.00 0.00 H new ATOM 0 HD2 PRO A 93 77.339 -5.370 13.052 1.00 0.00 H new ATOM 0 HD3 PRO A 93 76.167 -6.455 13.773 1.00 0.00 H new ATOM 988 N PHE A 94 77.013 -5.139 9.359 1.00 0.00 N ATOM 989 CA PHE A 94 77.671 -4.717 8.089 1.00 0.00 C ATOM 990 C PHE A 94 77.765 -5.901 7.123 1.00 0.00 C ATOM 991 O PHE A 94 77.609 -5.754 5.928 1.00 0.00 O ATOM 992 CB PHE A 94 79.065 -4.249 8.504 1.00 0.00 C ATOM 993 CG PHE A 94 79.634 -3.350 7.434 1.00 0.00 C ATOM 994 CD1 PHE A 94 79.215 -2.016 7.341 1.00 0.00 C ATOM 995 CD2 PHE A 94 80.581 -3.851 6.533 1.00 0.00 C ATOM 996 CE1 PHE A 94 79.745 -1.184 6.348 1.00 0.00 C ATOM 997 CE2 PHE A 94 81.110 -3.018 5.539 1.00 0.00 C ATOM 998 CZ PHE A 94 80.692 -1.685 5.447 1.00 0.00 C ATOM 0 H PHE A 94 77.483 -4.840 10.213 1.00 0.00 H new ATOM 0 HA PHE A 94 77.115 -3.933 7.575 1.00 0.00 H new ATOM 0 HB2 PHE A 94 79.013 -3.715 9.453 1.00 0.00 H new ATOM 0 HB3 PHE A 94 79.718 -5.108 8.657 1.00 0.00 H new ATOM 0 HD1 PHE A 94 78.483 -1.630 8.035 1.00 0.00 H new ATOM 0 HD2 PHE A 94 80.904 -4.879 6.604 1.00 0.00 H new ATOM 0 HE1 PHE A 94 79.423 -0.155 6.277 1.00 0.00 H new ATOM 0 HE2 PHE A 94 81.840 -3.404 4.843 1.00 0.00 H new ATOM 0 HZ PHE A 94 81.100 -1.043 4.681 1.00 0.00 H new ATOM 1008 N GLN A 95 78.020 -7.076 7.633 1.00 0.00 N ATOM 1009 CA GLN A 95 78.123 -8.267 6.745 1.00 0.00 C ATOM 1010 C GLN A 95 76.732 -8.843 6.466 1.00 0.00 C ATOM 1011 O GLN A 95 76.419 -9.225 5.356 1.00 0.00 O ATOM 1012 CB GLN A 95 78.969 -9.267 7.531 1.00 0.00 C ATOM 1013 CG GLN A 95 80.359 -8.678 7.777 1.00 0.00 C ATOM 1014 CD GLN A 95 81.091 -9.518 8.826 1.00 0.00 C ATOM 1015 OE1 GLN A 95 81.959 -9.024 9.518 1.00 0.00 O ATOM 1016 NE2 GLN A 95 80.776 -10.775 8.973 1.00 0.00 N ATOM 0 H GLN A 95 78.161 -7.261 8.626 1.00 0.00 H new ATOM 0 HA GLN A 95 78.564 -8.026 5.778 1.00 0.00 H new ATOM 0 HB2 GLN A 95 78.488 -9.499 8.481 1.00 0.00 H new ATOM 0 HB3 GLN A 95 79.052 -10.203 6.978 1.00 0.00 H new ATOM 0 HG2 GLN A 95 80.928 -8.661 6.848 1.00 0.00 H new ATOM 0 HG3 GLN A 95 80.273 -7.646 8.117 1.00 0.00 H new ATOM 0 HE21 GLN A 95 80.047 -11.189 8.392 1.00 0.00 H new ATOM 0 HE22 GLN A 95 81.258 -11.344 9.669 1.00 0.00 H new ATOM 1025 N GLU A 96 75.897 -8.910 7.468 1.00 0.00 N ATOM 1026 CA GLU A 96 74.527 -9.463 7.263 1.00 0.00 C ATOM 1027 C GLU A 96 73.936 -8.949 5.947 1.00 0.00 C ATOM 1028 O GLU A 96 73.204 -9.645 5.272 1.00 0.00 O ATOM 1029 CB GLU A 96 73.713 -8.949 8.452 1.00 0.00 C ATOM 1030 CG GLU A 96 73.827 -9.938 9.613 1.00 0.00 C ATOM 1031 CD GLU A 96 72.475 -10.617 9.840 1.00 0.00 C ATOM 1032 OE1 GLU A 96 71.618 -10.490 8.981 1.00 0.00 O ATOM 1033 OE2 GLU A 96 72.319 -11.253 10.869 1.00 0.00 O ATOM 0 H GLU A 96 76.104 -8.606 8.419 1.00 0.00 H new ATOM 0 HA GLU A 96 74.526 -10.551 7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 96 74.077 -7.968 8.759 1.00 0.00 H new ATOM 0 HB3 GLU A 96 72.668 -8.827 8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 96 74.589 -10.686 9.394 1.00 0.00 H new ATOM 0 HG3 GLU A 96 74.141 -9.418 10.518 1.00 0.00 H new ATOM 1040 N ALA A 97 74.250 -7.739 5.576 1.00 0.00 N ATOM 1041 CA ALA A 97 73.705 -7.184 4.303 1.00 0.00 C ATOM 1042 C ALA A 97 74.650 -7.496 3.141 1.00 0.00 C ATOM 1043 O ALA A 97 74.458 -8.447 2.410 1.00 0.00 O ATOM 1044 CB ALA A 97 73.620 -5.675 4.535 1.00 0.00 C ATOM 0 H ALA A 97 74.860 -7.110 6.098 1.00 0.00 H new ATOM 0 HA ALA A 97 72.736 -7.613 4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 97 73.227 -5.191 3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 97 72.959 -5.473 5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 97 74.614 -5.284 4.752 1.00 0.00 H new ATOM 1050 N ALA A 98 75.664 -6.694 2.965 1.00 0.00 N ATOM 1051 CA ALA A 98 76.629 -6.925 1.849 1.00 0.00 C ATOM 1052 C ALA A 98 76.911 -8.420 1.670 1.00 0.00 C ATOM 1053 O ALA A 98 76.432 -9.044 0.745 1.00 0.00 O ATOM 1054 CB ALA A 98 77.903 -6.193 2.272 1.00 0.00 C ATOM 0 H ALA A 98 75.868 -5.883 3.549 1.00 0.00 H new ATOM 0 HA ALA A 98 76.239 -6.565 0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 98 78.665 -6.314 1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 98 77.687 -5.133 2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.267 -6.609 3.211 1.00 0.00 H new ATOM 1060 N PHE A 99 77.691 -8.995 2.545 1.00 0.00 N ATOM 1061 CA PHE A 99 78.015 -10.448 2.423 1.00 0.00 C ATOM 1062 C PHE A 99 76.775 -11.243 2.010 1.00 0.00 C ATOM 1063 O PHE A 99 76.746 -11.875 0.972 1.00 0.00 O ATOM 1064 CB PHE A 99 78.478 -10.868 3.818 1.00 0.00 C ATOM 1065 CG PHE A 99 79.987 -10.895 3.860 1.00 0.00 C ATOM 1066 CD1 PHE A 99 80.685 -11.964 3.284 1.00 0.00 C ATOM 1067 CD2 PHE A 99 80.689 -9.851 4.475 1.00 0.00 C ATOM 1068 CE1 PHE A 99 82.083 -11.989 3.324 1.00 0.00 C ATOM 1069 CE2 PHE A 99 82.088 -9.876 4.514 1.00 0.00 C ATOM 1070 CZ PHE A 99 82.786 -10.945 3.939 1.00 0.00 C ATOM 0 H PHE A 99 78.119 -8.522 3.341 1.00 0.00 H new ATOM 0 HA PHE A 99 78.775 -10.635 1.664 1.00 0.00 H new ATOM 0 HB2 PHE A 99 78.095 -10.172 4.565 1.00 0.00 H new ATOM 0 HB3 PHE A 99 78.079 -11.852 4.065 1.00 0.00 H new ATOM 0 HD1 PHE A 99 80.144 -12.769 2.809 1.00 0.00 H new ATOM 0 HD2 PHE A 99 80.151 -9.027 4.919 1.00 0.00 H new ATOM 0 HE1 PHE A 99 82.621 -12.814 2.880 1.00 0.00 H new ATOM 0 HE2 PHE A 99 82.629 -9.070 4.988 1.00 0.00 H new ATOM 0 HZ PHE A 99 83.865 -10.965 3.970 1.00 0.00 H new ATOM 1080 N ALA A 100 75.754 -11.216 2.814 1.00 0.00 N ATOM 1081 CA ALA A 100 74.513 -11.971 2.474 1.00 0.00 C ATOM 1082 C ALA A 100 73.891 -11.425 1.186 1.00 0.00 C ATOM 1083 O ALA A 100 73.006 -12.028 0.611 1.00 0.00 O ATOM 1084 CB ALA A 100 73.576 -11.744 3.660 1.00 0.00 C ATOM 0 H ALA A 100 75.722 -10.703 3.695 1.00 0.00 H new ATOM 0 HA ALA A 100 74.709 -13.030 2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 100 72.636 -12.269 3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 100 74.042 -12.124 4.569 1.00 0.00 H new ATOM 0 HB3 ALA A 100 73.381 -10.677 3.770 1.00 0.00 H new ATOM 1090 N LEU A 101 74.341 -10.289 0.727 1.00 0.00 N ATOM 1091 CA LEU A 101 73.766 -9.711 -0.519 1.00 0.00 C ATOM 1092 C LEU A 101 74.787 -9.780 -1.664 1.00 0.00 C ATOM 1093 O LEU A 101 75.978 -9.737 -1.432 1.00 0.00 O ATOM 1094 CB LEU A 101 73.455 -8.258 -0.168 1.00 0.00 C ATOM 1095 CG LEU A 101 72.165 -8.198 0.653 1.00 0.00 C ATOM 1096 CD1 LEU A 101 72.000 -6.797 1.244 1.00 0.00 C ATOM 1097 CD2 LEU A 101 70.970 -8.516 -0.250 1.00 0.00 C ATOM 0 H LEU A 101 75.081 -9.737 1.161 1.00 0.00 H new ATOM 0 HA LEU A 101 72.881 -10.252 -0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 101 74.280 -7.825 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 101 73.348 -7.668 -1.078 1.00 0.00 H new ATOM 0 HG LEU A 101 72.214 -8.928 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.081 -6.755 1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 101 72.850 -6.571 1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 101 71.951 -6.065 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 101 70.051 -8.473 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.920 -7.786 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 101 71.087 -9.515 -0.670 1.00 0.00 H new ATOM 1109 N PRO A 102 74.284 -9.883 -2.872 1.00 0.00 N ATOM 1110 CA PRO A 102 75.163 -9.956 -4.063 1.00 0.00 C ATOM 1111 C PRO A 102 76.002 -8.679 -4.196 1.00 0.00 C ATOM 1112 O PRO A 102 75.875 -7.757 -3.415 1.00 0.00 O ATOM 1113 CB PRO A 102 74.159 -10.074 -5.215 1.00 0.00 C ATOM 1114 CG PRO A 102 72.732 -10.059 -4.632 1.00 0.00 C ATOM 1115 CD PRO A 102 72.821 -9.935 -3.107 1.00 0.00 C ATOM 0 HA PRO A 102 75.879 -10.777 -4.028 1.00 0.00 H new ATOM 0 HB2 PRO A 102 74.289 -9.249 -5.916 1.00 0.00 H new ATOM 0 HB3 PRO A 102 74.330 -10.995 -5.772 1.00 0.00 H new ATOM 0 HG2 PRO A 102 72.164 -9.225 -5.046 1.00 0.00 H new ATOM 0 HG3 PRO A 102 72.203 -10.972 -4.906 1.00 0.00 H new ATOM 0 HD2 PRO A 102 72.320 -9.038 -2.743 1.00 0.00 H new ATOM 0 HD3 PRO A 102 72.359 -10.784 -2.604 1.00 0.00 H new ATOM 1123 N VAL A 103 76.853 -8.620 -5.185 1.00 0.00 N ATOM 1124 CA VAL A 103 77.697 -7.403 -5.377 1.00 0.00 C ATOM 1125 C VAL A 103 76.798 -6.177 -5.583 1.00 0.00 C ATOM 1126 O VAL A 103 75.670 -6.297 -6.019 1.00 0.00 O ATOM 1127 CB VAL A 103 78.531 -7.713 -6.627 1.00 0.00 C ATOM 1128 CG1 VAL A 103 78.985 -6.421 -7.308 1.00 0.00 C ATOM 1129 CG2 VAL A 103 79.762 -8.519 -6.214 1.00 0.00 C ATOM 0 H VAL A 103 77.001 -9.362 -5.869 1.00 0.00 H new ATOM 0 HA VAL A 103 78.331 -7.176 -4.520 1.00 0.00 H new ATOM 0 HB VAL A 103 77.919 -8.282 -7.327 1.00 0.00 H new ATOM 0 HG11 VAL A 103 79.575 -6.663 -8.192 1.00 0.00 H new ATOM 0 HG12 VAL A 103 78.112 -5.839 -7.603 1.00 0.00 H new ATOM 0 HG13 VAL A 103 79.592 -5.839 -6.615 1.00 0.00 H new ATOM 0 HG21 VAL A 103 80.362 -8.745 -7.096 1.00 0.00 H new ATOM 0 HG22 VAL A 103 80.357 -7.939 -5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 103 79.446 -9.449 -5.742 1.00 0.00 H new ATOM 1139 N SER A 104 77.271 -5.000 -5.260 1.00 0.00 N ATOM 1140 CA SER A 104 76.407 -3.792 -5.434 1.00 0.00 C ATOM 1141 C SER A 104 77.170 -2.493 -5.106 1.00 0.00 C ATOM 1142 O SER A 104 78.253 -2.259 -5.603 1.00 0.00 O ATOM 1143 CB SER A 104 75.255 -4.010 -4.453 1.00 0.00 C ATOM 1144 OG SER A 104 75.691 -3.703 -3.137 1.00 0.00 O ATOM 0 H SER A 104 78.204 -4.823 -4.888 1.00 0.00 H new ATOM 0 HA SER A 104 76.069 -3.678 -6.464 1.00 0.00 H new ATOM 0 HB2 SER A 104 74.408 -3.379 -4.724 1.00 0.00 H new ATOM 0 HB3 SER A 104 74.912 -5.043 -4.502 1.00 0.00 H new ATOM 0 HG SER A 104 75.011 -3.990 -2.492 1.00 0.00 H new ATOM 1150 N GLY A 105 76.606 -1.642 -4.277 1.00 0.00 N ATOM 1151 CA GLY A 105 77.289 -0.361 -3.926 1.00 0.00 C ATOM 1152 C GLY A 105 77.148 0.643 -5.069 1.00 0.00 C ATOM 1153 O GLY A 105 76.907 0.275 -6.201 1.00 0.00 O ATOM 0 H GLY A 105 75.700 -1.784 -3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 105 76.857 0.052 -3.014 1.00 0.00 H new ATOM 0 HA3 GLY A 105 78.344 -0.547 -3.723 1.00 0.00 H new ATOM 1157 N MET A 106 77.327 1.912 -4.788 1.00 0.00 N ATOM 1158 CA MET A 106 77.236 2.931 -5.873 1.00 0.00 C ATOM 1159 C MET A 106 75.821 2.924 -6.503 1.00 0.00 C ATOM 1160 O MET A 106 74.881 2.468 -5.890 1.00 0.00 O ATOM 1161 CB MET A 106 78.338 2.477 -6.845 1.00 0.00 C ATOM 1162 CG MET A 106 78.668 3.571 -7.863 1.00 0.00 C ATOM 1163 SD MET A 106 78.618 2.885 -9.545 1.00 0.00 S ATOM 1164 CE MET A 106 77.025 2.014 -9.468 1.00 0.00 C ATOM 0 H MET A 106 77.531 2.281 -3.859 1.00 0.00 H new ATOM 0 HA MET A 106 77.379 3.961 -5.547 1.00 0.00 H new ATOM 0 HB2 MET A 106 79.236 2.217 -6.284 1.00 0.00 H new ATOM 0 HB3 MET A 106 78.016 1.576 -7.368 1.00 0.00 H new ATOM 0 HG2 MET A 106 77.955 4.390 -7.774 1.00 0.00 H new ATOM 0 HG3 MET A 106 79.656 3.984 -7.659 1.00 0.00 H new ATOM 0 HE1 MET A 106 77.162 0.977 -9.773 1.00 0.00 H new ATOM 0 HE2 MET A 106 76.642 2.045 -8.448 1.00 0.00 H new ATOM 0 HE3 MET A 106 76.313 2.498 -10.137 1.00 0.00 H new ATOM 1174 N ASP A 107 75.656 3.444 -7.704 1.00 0.00 N ATOM 1175 CA ASP A 107 74.303 3.484 -8.355 1.00 0.00 C ATOM 1176 C ASP A 107 73.783 2.084 -8.733 1.00 0.00 C ATOM 1177 O ASP A 107 72.780 1.957 -9.407 1.00 0.00 O ATOM 1178 CB ASP A 107 74.504 4.320 -9.620 1.00 0.00 C ATOM 1179 CG ASP A 107 73.176 4.970 -10.017 1.00 0.00 C ATOM 1180 OD1 ASP A 107 72.153 4.538 -9.512 1.00 0.00 O ATOM 1181 OD2 ASP A 107 73.207 5.889 -10.819 1.00 0.00 O ATOM 0 H ASP A 107 76.409 3.845 -8.263 1.00 0.00 H new ATOM 0 HA ASP A 107 73.561 3.899 -7.673 1.00 0.00 H new ATOM 0 HB2 ASP A 107 75.259 5.087 -9.446 1.00 0.00 H new ATOM 0 HB3 ASP A 107 74.870 3.690 -10.431 1.00 0.00 H new ATOM 1186 N LYS A 108 74.420 1.035 -8.284 1.00 0.00 N ATOM 1187 CA LYS A 108 73.918 -0.331 -8.599 1.00 0.00 C ATOM 1188 C LYS A 108 73.857 -1.168 -7.311 1.00 0.00 C ATOM 1189 O LYS A 108 74.391 -2.258 -7.263 1.00 0.00 O ATOM 1190 CB LYS A 108 74.943 -0.917 -9.571 1.00 0.00 C ATOM 1191 CG LYS A 108 74.251 -1.275 -10.887 1.00 0.00 C ATOM 1192 CD LYS A 108 74.887 -0.482 -12.031 1.00 0.00 C ATOM 1193 CE LYS A 108 76.338 -0.929 -12.216 1.00 0.00 C ATOM 1194 NZ LYS A 108 77.044 0.274 -12.742 1.00 0.00 N ATOM 0 H LYS A 108 75.265 1.067 -7.714 1.00 0.00 H new ATOM 0 HA LYS A 108 72.916 -0.320 -9.028 1.00 0.00 H new ATOM 0 HB2 LYS A 108 75.742 -0.197 -9.752 1.00 0.00 H new ATOM 0 HB3 LYS A 108 75.405 -1.804 -9.138 1.00 0.00 H new ATOM 0 HG2 LYS A 108 74.341 -2.344 -11.078 1.00 0.00 H new ATOM 0 HG3 LYS A 108 73.186 -1.051 -10.823 1.00 0.00 H new ATOM 0 HD2 LYS A 108 74.326 -0.639 -12.952 1.00 0.00 H new ATOM 0 HD3 LYS A 108 74.849 0.585 -11.813 1.00 0.00 H new ATOM 0 HE2 LYS A 108 76.772 -1.262 -11.273 1.00 0.00 H new ATOM 0 HE3 LYS A 108 76.409 -1.765 -12.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 78.048 0.048 -12.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 76.613 0.564 -13.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 76.965 1.051 -12.055 1.00 0.00 H new ATOM 1208 N PRO A 109 73.217 -0.626 -6.295 1.00 0.00 N ATOM 1209 CA PRO A 109 73.107 -1.330 -4.996 1.00 0.00 C ATOM 1210 C PRO A 109 72.272 -2.605 -5.121 1.00 0.00 C ATOM 1211 O PRO A 109 71.811 -2.965 -6.185 1.00 0.00 O ATOM 1212 CB PRO A 109 72.388 -0.307 -4.115 1.00 0.00 C ATOM 1213 CG PRO A 109 72.105 0.952 -4.953 1.00 0.00 C ATOM 1214 CD PRO A 109 72.574 0.708 -6.383 1.00 0.00 C ATOM 0 HA PRO A 109 74.073 -1.648 -4.604 1.00 0.00 H new ATOM 0 HB2 PRO A 109 71.456 -0.725 -3.734 1.00 0.00 H new ATOM 0 HB3 PRO A 109 73.002 -0.055 -3.250 1.00 0.00 H new ATOM 0 HG2 PRO A 109 71.040 1.182 -4.940 1.00 0.00 H new ATOM 0 HG3 PRO A 109 72.622 1.812 -4.528 1.00 0.00 H new ATOM 0 HD2 PRO A 109 71.742 0.710 -7.087 1.00 0.00 H new ATOM 0 HD3 PRO A 109 73.275 1.474 -6.715 1.00 0.00 H new ATOM 1222 N VAL A 110 72.073 -3.281 -4.025 1.00 0.00 N ATOM 1223 CA VAL A 110 71.263 -4.530 -4.043 1.00 0.00 C ATOM 1224 C VAL A 110 69.847 -4.224 -3.551 1.00 0.00 C ATOM 1225 O VAL A 110 69.567 -3.126 -3.112 1.00 0.00 O ATOM 1226 CB VAL A 110 71.985 -5.482 -3.080 1.00 0.00 C ATOM 1227 CG1 VAL A 110 72.254 -4.769 -1.753 1.00 0.00 C ATOM 1228 CG2 VAL A 110 71.118 -6.714 -2.819 1.00 0.00 C ATOM 0 H VAL A 110 72.440 -3.020 -3.110 1.00 0.00 H new ATOM 0 HA VAL A 110 71.171 -4.964 -5.039 1.00 0.00 H new ATOM 0 HB VAL A 110 72.929 -5.789 -3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 110 72.767 -5.449 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 110 72.879 -3.893 -1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 110 71.309 -4.456 -1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 110 71.637 -7.385 -2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 110 70.171 -6.405 -2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 110 70.928 -7.231 -3.760 1.00 0.00 H new ATOM 1238 N PHE A 111 68.959 -5.185 -3.632 1.00 0.00 N ATOM 1239 CA PHE A 111 67.547 -4.981 -3.177 1.00 0.00 C ATOM 1240 C PHE A 111 67.464 -3.913 -2.083 1.00 0.00 C ATOM 1241 O PHE A 111 66.628 -3.031 -2.123 1.00 0.00 O ATOM 1242 CB PHE A 111 67.123 -6.341 -2.624 1.00 0.00 C ATOM 1243 CG PHE A 111 67.339 -7.400 -3.679 1.00 0.00 C ATOM 1244 CD1 PHE A 111 66.409 -7.559 -4.715 1.00 0.00 C ATOM 1245 CD2 PHE A 111 68.471 -8.224 -3.624 1.00 0.00 C ATOM 1246 CE1 PHE A 111 66.612 -8.538 -5.694 1.00 0.00 C ATOM 1247 CE2 PHE A 111 68.673 -9.205 -4.604 1.00 0.00 C ATOM 1248 CZ PHE A 111 67.743 -9.361 -5.638 1.00 0.00 C ATOM 0 H PHE A 111 69.156 -6.116 -4.000 1.00 0.00 H new ATOM 0 HA PHE A 111 66.905 -4.636 -3.988 1.00 0.00 H new ATOM 0 HB2 PHE A 111 67.700 -6.579 -1.731 1.00 0.00 H new ATOM 0 HB3 PHE A 111 66.074 -6.315 -2.328 1.00 0.00 H new ATOM 0 HD1 PHE A 111 65.535 -6.926 -4.758 1.00 0.00 H new ATOM 0 HD2 PHE A 111 69.188 -8.103 -2.826 1.00 0.00 H new ATOM 0 HE1 PHE A 111 65.896 -8.659 -6.493 1.00 0.00 H new ATOM 0 HE2 PHE A 111 69.546 -9.840 -4.561 1.00 0.00 H new ATOM 0 HZ PHE A 111 67.898 -10.117 -6.393 1.00 0.00 H new ATOM 1258 N THR A 112 68.327 -3.985 -1.114 1.00 0.00 N ATOM 1259 CA THR A 112 68.310 -2.971 -0.018 1.00 0.00 C ATOM 1260 C THR A 112 68.891 -1.643 -0.515 1.00 0.00 C ATOM 1261 O THR A 112 68.919 -1.372 -1.699 1.00 0.00 O ATOM 1262 CB THR A 112 69.192 -3.559 1.087 1.00 0.00 C ATOM 1263 OG1 THR A 112 69.156 -2.707 2.221 1.00 0.00 O ATOM 1264 CG2 THR A 112 70.632 -3.682 0.584 1.00 0.00 C ATOM 0 H THR A 112 69.047 -4.702 -1.029 1.00 0.00 H new ATOM 0 HA THR A 112 67.299 -2.766 0.334 1.00 0.00 H new ATOM 0 HB THR A 112 68.821 -4.547 1.361 1.00 0.00 H new ATOM 0 HG1 THR A 112 68.274 -2.286 2.286 1.00 0.00 H new ATOM 0 HG21 THR A 112 71.258 -4.101 1.372 1.00 0.00 H new ATOM 0 HG22 THR A 112 70.658 -4.337 -0.287 1.00 0.00 H new ATOM 0 HG23 THR A 112 71.007 -2.696 0.308 1.00 0.00 H new ATOM 1272 N ASP A 113 69.357 -0.816 0.381 1.00 0.00 N ATOM 1273 CA ASP A 113 69.939 0.493 -0.038 1.00 0.00 C ATOM 1274 C ASP A 113 71.386 0.607 0.457 1.00 0.00 C ATOM 1275 O ASP A 113 71.747 0.003 1.448 1.00 0.00 O ATOM 1276 CB ASP A 113 69.058 1.552 0.624 1.00 0.00 C ATOM 1277 CG ASP A 113 67.620 1.407 0.121 1.00 0.00 C ATOM 1278 OD1 ASP A 113 67.424 1.483 -1.081 1.00 0.00 O ATOM 1279 OD2 ASP A 113 66.741 1.223 0.946 1.00 0.00 O ATOM 0 H ASP A 113 69.360 -0.990 1.386 1.00 0.00 H new ATOM 0 HA ASP A 113 69.963 0.608 -1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 113 69.088 1.440 1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 113 69.436 2.549 0.396 1.00 0.00 H new ATOM 1284 N PRO A 114 72.178 1.376 -0.253 1.00 0.00 N ATOM 1285 CA PRO A 114 73.598 1.556 0.122 1.00 0.00 C ATOM 1286 C PRO A 114 73.747 2.135 1.544 1.00 0.00 C ATOM 1287 O PRO A 114 74.448 1.569 2.359 1.00 0.00 O ATOM 1288 CB PRO A 114 74.120 2.511 -0.962 1.00 0.00 C ATOM 1289 CG PRO A 114 72.964 2.829 -1.934 1.00 0.00 C ATOM 1290 CD PRO A 114 71.700 2.095 -1.460 1.00 0.00 C ATOM 0 HA PRO A 114 74.157 0.621 0.162 1.00 0.00 H new ATOM 0 HB2 PRO A 114 74.497 3.428 -0.509 1.00 0.00 H new ATOM 0 HB3 PRO A 114 74.952 2.056 -1.499 1.00 0.00 H new ATOM 0 HG2 PRO A 114 72.785 3.904 -1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 114 73.225 2.516 -2.945 1.00 0.00 H new ATOM 0 HD2 PRO A 114 70.892 2.788 -1.226 1.00 0.00 H new ATOM 0 HD3 PRO A 114 71.321 1.409 -2.218 1.00 0.00 H new ATOM 1298 N PRO A 115 73.094 3.240 1.803 1.00 0.00 N ATOM 1299 CA PRO A 115 73.177 3.884 3.140 1.00 0.00 C ATOM 1300 C PRO A 115 72.580 2.972 4.215 1.00 0.00 C ATOM 1301 O PRO A 115 71.494 3.207 4.708 1.00 0.00 O ATOM 1302 CB PRO A 115 72.323 5.143 2.957 1.00 0.00 C ATOM 1303 CG PRO A 115 71.779 5.167 1.516 1.00 0.00 C ATOM 1304 CD PRO A 115 72.241 3.896 0.793 1.00 0.00 C ATOM 0 HA PRO A 115 74.197 4.095 3.462 1.00 0.00 H new ATOM 0 HB2 PRO A 115 71.500 5.148 3.672 1.00 0.00 H new ATOM 0 HB3 PRO A 115 72.919 6.035 3.151 1.00 0.00 H new ATOM 0 HG2 PRO A 115 70.690 5.222 1.524 1.00 0.00 H new ATOM 0 HG3 PRO A 115 72.139 6.052 0.991 1.00 0.00 H new ATOM 0 HD2 PRO A 115 71.400 3.267 0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 115 72.795 4.126 -0.117 1.00 0.00 H new ATOM 1312 N VAL A 116 73.278 1.932 4.583 1.00 0.00 N ATOM 1313 CA VAL A 116 72.746 1.010 5.624 1.00 0.00 C ATOM 1314 C VAL A 116 73.189 1.468 7.015 1.00 0.00 C ATOM 1315 O VAL A 116 74.236 2.059 7.179 1.00 0.00 O ATOM 1316 CB VAL A 116 73.353 -0.354 5.292 1.00 0.00 C ATOM 1317 CG1 VAL A 116 73.241 -0.614 3.788 1.00 0.00 C ATOM 1318 CG2 VAL A 116 74.825 -0.380 5.709 1.00 0.00 C ATOM 0 H VAL A 116 74.193 1.682 4.208 1.00 0.00 H new ATOM 0 HA VAL A 116 71.656 0.982 5.631 1.00 0.00 H new ATOM 0 HB VAL A 116 72.812 -1.129 5.834 1.00 0.00 H new ATOM 0 HG11 VAL A 116 73.674 -1.586 3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 116 72.191 -0.604 3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 116 73.778 0.163 3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 116 75.254 -1.353 5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 116 75.369 0.397 5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 116 74.902 -0.202 6.782 1.00 0.00 H new ATOM 1328 N LYS A 117 72.399 1.200 8.018 1.00 0.00 N ATOM 1329 CA LYS A 117 72.778 1.619 9.398 1.00 0.00 C ATOM 1330 C LYS A 117 73.457 0.462 10.134 1.00 0.00 C ATOM 1331 O LYS A 117 73.159 -0.693 9.903 1.00 0.00 O ATOM 1332 CB LYS A 117 71.458 1.984 10.075 1.00 0.00 C ATOM 1333 CG LYS A 117 71.671 2.080 11.587 1.00 0.00 C ATOM 1334 CD LYS A 117 70.488 2.817 12.221 1.00 0.00 C ATOM 1335 CE LYS A 117 69.239 1.936 12.142 1.00 0.00 C ATOM 1336 NZ LYS A 117 68.120 2.820 12.573 1.00 0.00 N ATOM 0 H LYS A 117 71.508 0.709 7.942 1.00 0.00 H new ATOM 0 HA LYS A 117 73.481 2.452 9.399 1.00 0.00 H new ATOM 0 HB2 LYS A 117 71.089 2.934 9.688 1.00 0.00 H new ATOM 0 HB3 LYS A 117 70.701 1.232 9.850 1.00 0.00 H new ATOM 0 HG2 LYS A 117 71.765 1.082 12.016 1.00 0.00 H new ATOM 0 HG3 LYS A 117 72.600 2.608 11.802 1.00 0.00 H new ATOM 0 HD2 LYS A 117 70.711 3.059 13.260 1.00 0.00 H new ATOM 0 HD3 LYS A 117 70.314 3.761 11.704 1.00 0.00 H new ATOM 0 HE2 LYS A 117 69.081 1.564 11.130 1.00 0.00 H new ATOM 0 HE3 LYS A 117 69.328 1.065 12.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 67.227 2.288 12.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 68.295 3.154 13.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 68.056 3.637 11.932 1.00 0.00 H new ATOM 1350 N THR A 118 74.366 0.762 11.021 1.00 0.00 N ATOM 1351 CA THR A 118 75.062 -0.323 11.773 1.00 0.00 C ATOM 1352 C THR A 118 75.159 0.047 13.255 1.00 0.00 C ATOM 1353 O THR A 118 74.903 -0.762 14.125 1.00 0.00 O ATOM 1354 CB THR A 118 76.456 -0.407 11.149 1.00 0.00 C ATOM 1355 OG1 THR A 118 77.244 0.685 11.603 1.00 0.00 O ATOM 1356 CG2 THR A 118 76.342 -0.359 9.624 1.00 0.00 C ATOM 0 H THR A 118 74.657 1.710 11.258 1.00 0.00 H new ATOM 0 HA THR A 118 74.533 -1.274 11.714 1.00 0.00 H new ATOM 0 HB THR A 118 76.929 -1.344 11.444 1.00 0.00 H new ATOM 0 HG1 THR A 118 77.119 1.450 11.003 1.00 0.00 H new ATOM 0 HG21 THR A 118 77.337 -0.419 9.183 1.00 0.00 H new ATOM 0 HG22 THR A 118 75.740 -1.199 9.278 1.00 0.00 H new ATOM 0 HG23 THR A 118 75.868 0.575 9.324 1.00 0.00 H new ATOM 1364 N LYS A 119 75.527 1.263 13.547 1.00 0.00 N ATOM 1365 CA LYS A 119 75.641 1.688 14.972 1.00 0.00 C ATOM 1366 C LYS A 119 76.001 3.174 15.048 1.00 0.00 C ATOM 1367 O LYS A 119 75.593 3.877 15.951 1.00 0.00 O ATOM 1368 CB LYS A 119 76.765 0.831 15.553 1.00 0.00 C ATOM 1369 CG LYS A 119 78.012 0.962 14.675 1.00 0.00 C ATOM 1370 CD LYS A 119 78.662 -0.412 14.505 1.00 0.00 C ATOM 1371 CE LYS A 119 79.869 -0.526 15.439 1.00 0.00 C ATOM 1372 NZ LYS A 119 80.150 -1.987 15.521 1.00 0.00 N ATOM 0 H LYS A 119 75.754 1.982 12.861 1.00 0.00 H new ATOM 0 HA LYS A 119 74.708 1.558 15.520 1.00 0.00 H new ATOM 0 HB2 LYS A 119 76.989 1.148 16.571 1.00 0.00 H new ATOM 0 HB3 LYS A 119 76.452 -0.212 15.605 1.00 0.00 H new ATOM 0 HG2 LYS A 119 77.743 1.372 13.701 1.00 0.00 H new ATOM 0 HG3 LYS A 119 78.718 1.657 15.129 1.00 0.00 H new ATOM 0 HD2 LYS A 119 77.940 -1.198 14.729 1.00 0.00 H new ATOM 0 HD3 LYS A 119 78.975 -0.552 13.470 1.00 0.00 H new ATOM 0 HE2 LYS A 119 80.726 0.020 15.046 1.00 0.00 H new ATOM 0 HE3 LYS A 119 79.649 -0.110 16.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 79.970 -2.321 16.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 79.532 -2.497 14.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 81.144 -2.164 15.273 1.00 0.00 H new ATOM 1386 N PHE A 120 76.764 3.655 14.105 1.00 0.00 N ATOM 1387 CA PHE A 120 77.151 5.091 14.116 1.00 0.00 C ATOM 1388 C PHE A 120 76.170 5.908 13.270 1.00 0.00 C ATOM 1389 O PHE A 120 75.776 6.996 13.638 1.00 0.00 O ATOM 1390 CB PHE A 120 78.547 5.116 13.495 1.00 0.00 C ATOM 1391 CG PHE A 120 79.481 4.265 14.322 1.00 0.00 C ATOM 1392 CD1 PHE A 120 79.558 4.455 15.706 1.00 0.00 C ATOM 1393 CD2 PHE A 120 80.267 3.285 13.704 1.00 0.00 C ATOM 1394 CE1 PHE A 120 80.423 3.665 16.474 1.00 0.00 C ATOM 1395 CE2 PHE A 120 81.132 2.496 14.472 1.00 0.00 C ATOM 1396 CZ PHE A 120 81.210 2.686 15.856 1.00 0.00 C ATOM 0 H PHE A 120 77.136 3.112 13.326 1.00 0.00 H new ATOM 0 HA PHE A 120 77.138 5.522 15.117 1.00 0.00 H new ATOM 0 HB2 PHE A 120 78.508 4.743 12.472 1.00 0.00 H new ATOM 0 HB3 PHE A 120 78.917 6.140 13.447 1.00 0.00 H new ATOM 0 HD1 PHE A 120 78.951 5.211 16.182 1.00 0.00 H new ATOM 0 HD2 PHE A 120 80.206 3.138 12.636 1.00 0.00 H new ATOM 0 HE1 PHE A 120 80.483 3.811 17.542 1.00 0.00 H new ATOM 0 HE2 PHE A 120 81.739 1.740 13.996 1.00 0.00 H new ATOM 0 HZ PHE A 120 81.878 2.077 16.448 1.00 0.00 H new ATOM 1406 N GLY A 121 75.774 5.388 12.140 1.00 0.00 N ATOM 1407 CA GLY A 121 74.819 6.130 11.271 1.00 0.00 C ATOM 1408 C GLY A 121 74.576 5.334 9.988 1.00 0.00 C ATOM 1409 O GLY A 121 74.667 4.122 9.973 1.00 0.00 O ATOM 0 H GLY A 121 76.071 4.481 11.782 1.00 0.00 H new ATOM 0 HA2 GLY A 121 73.878 6.288 11.798 1.00 0.00 H new ATOM 0 HA3 GLY A 121 75.219 7.115 11.031 1.00 0.00 H new ATOM 1413 N TYR A 122 74.267 6.004 8.912 1.00 0.00 N ATOM 1414 CA TYR A 122 74.020 5.284 7.630 1.00 0.00 C ATOM 1415 C TYR A 122 75.292 5.271 6.777 1.00 0.00 C ATOM 1416 O TYR A 122 75.904 6.295 6.548 1.00 0.00 O ATOM 1417 CB TYR A 122 72.921 6.087 6.933 1.00 0.00 C ATOM 1418 CG TYR A 122 71.578 5.736 7.530 1.00 0.00 C ATOM 1419 CD1 TYR A 122 71.133 4.409 7.521 1.00 0.00 C ATOM 1420 CD2 TYR A 122 70.778 6.740 8.090 1.00 0.00 C ATOM 1421 CE1 TYR A 122 69.888 4.085 8.073 1.00 0.00 C ATOM 1422 CE2 TYR A 122 69.533 6.415 8.642 1.00 0.00 C ATOM 1423 CZ TYR A 122 69.088 5.088 8.633 1.00 0.00 C ATOM 1424 OH TYR A 122 67.860 4.768 9.177 1.00 0.00 O ATOM 0 H TYR A 122 74.175 7.019 8.865 1.00 0.00 H new ATOM 0 HA TYR A 122 73.732 4.245 7.789 1.00 0.00 H new ATOM 0 HB2 TYR A 122 73.111 7.155 7.044 1.00 0.00 H new ATOM 0 HB3 TYR A 122 72.922 5.872 5.864 1.00 0.00 H new ATOM 0 HD1 TYR A 122 71.750 3.635 7.088 1.00 0.00 H new ATOM 0 HD2 TYR A 122 71.121 7.764 8.096 1.00 0.00 H new ATOM 0 HE1 TYR A 122 69.545 3.061 8.067 1.00 0.00 H new ATOM 0 HE2 TYR A 122 68.916 7.188 9.075 1.00 0.00 H new ATOM 0 HH TYR A 122 67.434 5.580 9.524 1.00 0.00 H new ATOM 1434 N HIS A 123 75.693 4.123 6.300 1.00 0.00 N ATOM 1435 CA HIS A 123 76.925 4.061 5.457 1.00 0.00 C ATOM 1436 C HIS A 123 76.601 3.400 4.114 1.00 0.00 C ATOM 1437 O HIS A 123 75.784 2.505 4.040 1.00 0.00 O ATOM 1438 CB HIS A 123 77.928 3.192 6.236 1.00 0.00 C ATOM 1439 CG HIS A 123 77.792 3.417 7.720 1.00 0.00 C ATOM 1440 ND1 HIS A 123 78.799 3.998 8.476 1.00 0.00 N ATOM 1441 CD2 HIS A 123 76.781 3.132 8.604 1.00 0.00 C ATOM 1442 CE1 HIS A 123 78.376 4.044 9.752 1.00 0.00 C ATOM 1443 NE2 HIS A 123 77.151 3.528 9.886 1.00 0.00 N ATOM 0 H HIS A 123 75.225 3.230 6.456 1.00 0.00 H new ATOM 0 HA HIS A 123 77.325 5.055 5.256 1.00 0.00 H new ATOM 0 HB2 HIS A 123 77.760 2.140 6.006 1.00 0.00 H new ATOM 0 HB3 HIS A 123 78.944 3.429 5.919 1.00 0.00 H new ATOM 0 HD1 HIS A 123 79.698 4.330 8.127 1.00 0.00 H new ATOM 0 HD2 HIS A 123 75.840 2.670 8.344 1.00 0.00 H new ATOM 0 HE1 HIS A 123 78.956 4.449 10.568 1.00 0.00 H new ATOM 1451 N ILE A 124 77.245 3.810 3.053 1.00 0.00 N ATOM 1452 CA ILE A 124 76.966 3.164 1.739 1.00 0.00 C ATOM 1453 C ILE A 124 77.907 1.979 1.562 1.00 0.00 C ATOM 1454 O ILE A 124 79.097 2.142 1.368 1.00 0.00 O ATOM 1455 CB ILE A 124 77.230 4.218 0.659 1.00 0.00 C ATOM 1456 CG1 ILE A 124 76.410 5.477 0.944 1.00 0.00 C ATOM 1457 CG2 ILE A 124 76.821 3.655 -0.703 1.00 0.00 C ATOM 1458 CD1 ILE A 124 76.563 6.454 -0.226 1.00 0.00 C ATOM 0 H ILE A 124 77.943 4.554 3.039 1.00 0.00 H new ATOM 0 HA ILE A 124 75.939 2.803 1.676 1.00 0.00 H new ATOM 0 HB ILE A 124 78.290 4.471 0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 124 75.360 5.218 1.082 1.00 0.00 H new ATOM 0 HG13 ILE A 124 76.748 5.944 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 124 77.007 4.401 -1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 124 77.404 2.759 -0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 124 75.761 3.403 -0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 124 75.980 7.353 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 124 77.613 6.721 -0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 124 76.204 5.984 -1.142 1.00 0.00 H new ATOM 1470 N ILE A 125 77.387 0.788 1.637 1.00 0.00 N ATOM 1471 CA ILE A 125 78.252 -0.404 1.480 1.00 0.00 C ATOM 1472 C ILE A 125 78.314 -0.793 0.007 1.00 0.00 C ATOM 1473 O ILE A 125 77.315 -0.809 -0.685 1.00 0.00 O ATOM 1474 CB ILE A 125 77.566 -1.491 2.309 1.00 0.00 C ATOM 1475 CG1 ILE A 125 77.896 -1.285 3.789 1.00 0.00 C ATOM 1476 CG2 ILE A 125 78.060 -2.864 1.865 1.00 0.00 C ATOM 1477 CD1 ILE A 125 77.294 -2.429 4.608 1.00 0.00 C ATOM 0 H ILE A 125 76.400 0.591 1.800 1.00 0.00 H new ATOM 0 HA ILE A 125 79.278 -0.237 1.809 1.00 0.00 H new ATOM 0 HB ILE A 125 76.488 -1.431 2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 125 78.976 -1.251 3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 125 77.499 -0.329 4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 125 77.569 -3.636 2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 125 77.826 -3.012 0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 125 79.139 -2.927 2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 125 77.528 -2.284 5.663 1.00 0.00 H new ATOM 0 HD12 ILE A 125 76.212 -2.442 4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 125 77.712 -3.377 4.271 1.00 0.00 H new ATOM 1489 N MET A 126 79.481 -1.088 -0.484 1.00 0.00 N ATOM 1490 CA MET A 126 79.601 -1.452 -1.920 1.00 0.00 C ATOM 1491 C MET A 126 80.334 -2.774 -2.076 1.00 0.00 C ATOM 1492 O MET A 126 81.545 -2.823 -2.090 1.00 0.00 O ATOM 1493 CB MET A 126 80.416 -0.327 -2.577 1.00 0.00 C ATOM 1494 CG MET A 126 80.223 0.984 -1.814 1.00 0.00 C ATOM 1495 SD MET A 126 81.266 2.266 -2.550 1.00 0.00 S ATOM 1496 CE MET A 126 79.937 3.406 -2.982 1.00 0.00 C ATOM 0 H MET A 126 80.354 -1.093 0.043 1.00 0.00 H new ATOM 0 HA MET A 126 78.619 -1.565 -2.379 1.00 0.00 H new ATOM 0 HB2 MET A 126 81.472 -0.595 -2.592 1.00 0.00 H new ATOM 0 HB3 MET A 126 80.105 -0.201 -3.614 1.00 0.00 H new ATOM 0 HG2 MET A 126 79.177 1.287 -1.848 1.00 0.00 H new ATOM 0 HG3 MET A 126 80.481 0.848 -0.764 1.00 0.00 H new ATOM 0 HE1 MET A 126 80.234 4.001 -3.845 1.00 0.00 H new ATOM 0 HE2 MET A 126 79.037 2.841 -3.224 1.00 0.00 H new ATOM 0 HE3 MET A 126 79.735 4.066 -2.138 1.00 0.00 H new ATOM 1506 N VAL A 127 79.608 -3.840 -2.226 1.00 0.00 N ATOM 1507 CA VAL A 127 80.269 -5.159 -2.415 1.00 0.00 C ATOM 1508 C VAL A 127 80.486 -5.371 -3.907 1.00 0.00 C ATOM 1509 O VAL A 127 79.553 -5.568 -4.656 1.00 0.00 O ATOM 1510 CB VAL A 127 79.293 -6.193 -1.862 1.00 0.00 C ATOM 1511 CG1 VAL A 127 79.851 -7.594 -2.119 1.00 0.00 C ATOM 1512 CG2 VAL A 127 79.116 -5.977 -0.358 1.00 0.00 C ATOM 0 H VAL A 127 78.588 -3.858 -2.226 1.00 0.00 H new ATOM 0 HA VAL A 127 81.234 -5.230 -1.913 1.00 0.00 H new ATOM 0 HB VAL A 127 78.326 -6.088 -2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 127 79.159 -8.339 -1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 127 79.976 -7.745 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 127 80.816 -7.698 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 127 78.419 -6.716 0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 127 80.079 -6.085 0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 127 78.724 -4.976 -0.178 1.00 0.00 H new ATOM 1522 N GLU A 128 81.706 -5.311 -4.350 1.00 0.00 N ATOM 1523 CA GLU A 128 81.974 -5.487 -5.786 1.00 0.00 C ATOM 1524 C GLU A 128 83.355 -6.092 -5.973 1.00 0.00 C ATOM 1525 O GLU A 128 84.345 -5.424 -5.906 1.00 0.00 O ATOM 1526 CB GLU A 128 81.916 -4.079 -6.379 1.00 0.00 C ATOM 1527 CG GLU A 128 82.127 -4.156 -7.893 1.00 0.00 C ATOM 1528 CD GLU A 128 81.962 -2.762 -8.501 1.00 0.00 C ATOM 1529 OE1 GLU A 128 80.956 -2.130 -8.224 1.00 0.00 O ATOM 1530 OE2 GLU A 128 82.846 -2.349 -9.234 1.00 0.00 O ATOM 0 H GLU A 128 82.529 -5.146 -3.771 1.00 0.00 H new ATOM 0 HA GLU A 128 81.259 -6.154 -6.269 1.00 0.00 H new ATOM 0 HB2 GLU A 128 80.953 -3.619 -6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 128 82.682 -3.450 -5.926 1.00 0.00 H new ATOM 0 HG2 GLU A 128 83.121 -4.545 -8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 128 81.409 -4.846 -8.337 1.00 0.00 H new ATOM 1537 N GLY A 129 83.423 -7.350 -6.179 1.00 0.00 N ATOM 1538 CA GLY A 129 84.740 -8.007 -6.372 1.00 0.00 C ATOM 1539 C GLY A 129 84.828 -9.217 -5.468 1.00 0.00 C ATOM 1540 O GLY A 129 85.393 -9.159 -4.399 1.00 0.00 O ATOM 0 H GLY A 129 82.618 -7.974 -6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 129 84.862 -8.306 -7.413 1.00 0.00 H new ATOM 0 HA3 GLY A 129 85.545 -7.309 -6.145 1.00 0.00 H new ATOM 1544 N ARG A 130 84.269 -10.312 -5.886 1.00 0.00 N ATOM 1545 CA ARG A 130 84.326 -11.527 -5.040 1.00 0.00 C ATOM 1546 C ARG A 130 84.968 -12.683 -5.810 1.00 0.00 C ATOM 1547 O ARG A 130 85.666 -12.481 -6.784 1.00 0.00 O ATOM 1548 CB ARG A 130 82.873 -11.849 -4.704 1.00 0.00 C ATOM 1549 CG ARG A 130 82.124 -12.227 -5.985 1.00 0.00 C ATOM 1550 CD ARG A 130 80.660 -12.522 -5.652 1.00 0.00 C ATOM 1551 NE ARG A 130 80.492 -13.978 -5.926 1.00 0.00 N ATOM 1552 CZ ARG A 130 79.341 -14.436 -6.336 1.00 0.00 C ATOM 1553 NH1 ARG A 130 78.429 -14.784 -5.469 1.00 0.00 N ATOM 1554 NH2 ARG A 130 79.101 -14.546 -7.614 1.00 0.00 N ATOM 0 H ARG A 130 83.777 -10.418 -6.773 1.00 0.00 H new ATOM 0 HA ARG A 130 84.926 -11.373 -4.143 1.00 0.00 H new ATOM 0 HB2 ARG A 130 82.828 -12.670 -3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 130 82.398 -10.988 -4.233 1.00 0.00 H new ATOM 0 HG2 ARG A 130 82.187 -11.414 -6.709 1.00 0.00 H new ATOM 0 HG3 ARG A 130 82.586 -13.100 -6.445 1.00 0.00 H new ATOM 0 HD2 ARG A 130 80.436 -12.287 -4.611 1.00 0.00 H new ATOM 0 HD3 ARG A 130 79.987 -11.924 -6.266 1.00 0.00 H new ATOM 0 HE ARG A 130 81.277 -14.616 -5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 130 78.616 -14.698 -4.470 1.00 0.00 H new ATOM 0 HH12 ARG A 130 77.530 -15.142 -5.791 1.00 0.00 H new ATOM 0 HH21 ARG A 130 79.813 -14.274 -8.292 1.00 0.00 H new ATOM 0 HH22 ARG A 130 78.201 -14.904 -7.935 1.00 0.00 H new ATOM 1568 N LYS A 131 84.734 -13.891 -5.381 1.00 0.00 N ATOM 1569 CA LYS A 131 85.327 -15.062 -6.087 1.00 0.00 C ATOM 1570 C LYS A 131 84.344 -16.236 -6.085 1.00 0.00 C ATOM 1571 O LYS A 131 83.172 -16.001 -5.835 1.00 0.00 O ATOM 1572 CB LYS A 131 86.583 -15.414 -5.291 1.00 0.00 C ATOM 1573 CG LYS A 131 87.742 -14.526 -5.748 1.00 0.00 C ATOM 1574 CD LYS A 131 88.632 -14.193 -4.549 1.00 0.00 C ATOM 1575 CE LYS A 131 89.392 -15.449 -4.116 1.00 0.00 C ATOM 1576 NZ LYS A 131 90.520 -15.564 -5.083 1.00 0.00 N ATOM 1577 OXT LYS A 131 84.778 -17.348 -6.332 1.00 0.00 O ATOM 0 H LYS A 131 84.157 -14.119 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 131 85.555 -14.841 -7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 131 86.402 -15.274 -4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 131 86.836 -16.464 -5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 131 88.324 -15.036 -6.516 1.00 0.00 H new ATOM 0 HG3 LYS A 131 87.358 -13.609 -6.195 1.00 0.00 H new ATOM 0 HD2 LYS A 131 89.334 -13.402 -4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 131 88.025 -13.819 -3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 131 89.756 -15.358 -3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 131 88.751 -16.330 -4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 90.550 -16.529 -5.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 90.383 -14.885 -5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 91.416 -15.358 -4.597 1.00 0.00 H new TER 1591 LYS A 131