USER MOD reduce.3.24.130724 H: found=0, std=0, add=1221, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1221 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 NoAdj-H: A 125 HIS HD1 : A 125 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 146 HIS HD1 : A 146 HIS ND1 : A 202 ZNZN :(H bumps) USER MOD Set 1.1: A 96 THR OG1 : rot -46:sc= 1.33 USER MOD Set 1.2: A 104 GLN :FLIP amide:sc= 0.983 F(o=1.2,f=2.3) USER MOD Set 2.1: A 12 GLN : amide:sc= 1.5 K(o=-1.5,f=-2.2) USER MOD Set 2.2: A 55 CYS SG : rot -142:sc= 0.661 USER MOD Set 2.3: A 75 CYS SG : rot -108:sc= -3.67! USER MOD Set 3.1: A 33 GLN : amide:sc= 0.868 X(o=1.7,f=1.5) USER MOD Set 3.2: A 35 SER OG : rot -140:sc= 0.804 USER MOD Set 4.1: A 21 TYR OH : rot -2:sc= -0.0497 USER MOD Set 4.2: A 50 ASN : amide:sc= -2.55! C(o=-2.6!,f=-7.6!) USER MOD Set 5.1: A 3 SER OG : rot 180:sc= 0.591 USER MOD Set 5.2: A 5 THR OG1 : rot 94:sc= 0.659 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.144 (180deg=-0.672) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.104) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 80:sc= 0.132 USER MOD Single : A 15 LYS NZ :NH3+ -157:sc= 1.19 (180deg=0.269) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.111) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN :FLIP amide:sc= -0.0207 F(o=-1.4!,f=-0.021) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 2.5 (180deg=2.29) USER MOD Single : A 40 ASN : amide:sc= -0.914 K(o=-0.91,f=-2.2!) USER MOD Single : A 43 THR OG1 : rot -89:sc= 1.23 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -2.21! C(o=-2.2!,f=-5.3!) USER MOD Single : A 56 LYS NZ :NH3+ 157:sc= 1.08 (180deg=0.383) USER MOD Single : A 57 THR OG1 : rot 59:sc= 1.27 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 140:sc= -0.0191 (180deg=-2.56!) USER MOD Single : A 72 MET CE :methyl 156:sc= -0.111 (180deg=-0.739) USER MOD Single : A 73 THR OG1 : rot 84:sc= 0.57 USER MOD Single : A 76 GLN : amide:sc= -0.0651 K(o=-0.065,f=-1.1) USER MOD Single : A 83 HIS : no HE2:sc= -0.557 K(o=-0.56,f=-6.3!) USER MOD Single : A 84 LYS NZ :NH3+ -163:sc= -0.0497 (180deg=-0.406) USER MOD Single : A 92 MET CE :methyl 162:sc= -0.118 (180deg=-0.591) USER MOD Single : A 93 SER OG : rot 31:sc= 0.498 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= 0.513 K(o=0.51,f=-2.9!) USER MOD Single : A 100 THR OG1 : rot 156:sc= 1.15 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -164:sc= -0.0353 (180deg=-0.297) USER MOD Single : A 107 ASN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 110 ASN : amide:sc= 0.128 X(o=0.13,f=0) USER MOD Single : A 111 GLN : amide:sc= -0.831 X(o=-0.83,f=-0.47) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ -106:sc= 1.26 (180deg=0.155) USER MOD Single : A 119 ASN : amide:sc= -1.1 K(o=-1.1,f=-6.6!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ -170:sc=-0.00775 (180deg=-0.11) USER MOD Single : A 129 ASN : amide:sc= -0.0116 X(o=-0.012,f=-0.012) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0728) USER MOD Single : A 147 GLN : amide:sc= -1.45! C(o=-1.4!,f=-4.4!) USER MOD Single : A 148 MET CE :methyl -146:sc= -0.142 (180deg=-1.01) USER MOD Single : A 149 LYS NZ :NH3+ -138:sc= -0.412 (180deg=-1.9) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 GLN : amide:sc= -0.0975 K(o=-0.097,f=-0.88) USER MOD Single : A 157 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.265 8.206 -22.666 1.00 20.39 N ATOM 2 CA MET A 1 20.405 9.034 -22.218 1.00 19.96 C ATOM 3 C MET A 1 20.718 8.763 -20.752 1.00 19.35 C ATOM 4 O MET A 1 20.440 9.587 -19.880 1.00 19.23 O ATOM 5 CB MET A 1 20.112 10.524 -22.431 1.00 20.24 C ATOM 6 CG MET A 1 20.010 10.921 -23.895 1.00 20.56 C ATOM 7 SD MET A 1 19.639 12.672 -24.125 1.00 20.81 S ATOM 8 CE MET A 1 21.050 13.434 -23.323 1.00 20.97 C ATOM 0 H1 MET A 1 19.182 8.260 -23.701 1.00 20.39 H new ATOM 0 H2 MET A 1 19.421 7.218 -22.382 1.00 20.39 H new ATOM 0 H3 MET A 1 18.389 8.557 -22.230 1.00 20.39 H new ATOM 0 HA MET A 1 21.275 8.765 -22.817 1.00 19.96 H new ATOM 0 HB2 MET A 1 19.179 10.778 -21.929 1.00 20.24 H new ATOM 0 HB3 MET A 1 20.899 11.112 -21.958 1.00 20.24 H new ATOM 0 HG2 MET A 1 20.949 10.685 -24.396 1.00 20.56 H new ATOM 0 HG3 MET A 1 19.234 10.325 -24.375 1.00 20.56 H new ATOM 0 HE1 MET A 1 21.159 14.460 -23.676 1.00 20.97 H new ATOM 0 HE2 MET A 1 20.898 13.436 -22.244 1.00 20.97 H new ATOM 0 HE3 MET A 1 21.952 12.871 -23.561 1.00 20.97 H new ATOM 20 N TYR A 2 21.276 7.590 -20.495 1.00 19.08 N ATOM 21 CA TYR A 2 21.686 7.197 -19.155 1.00 18.61 C ATOM 22 C TYR A 2 23.015 6.464 -19.227 1.00 17.62 C ATOM 23 O TYR A 2 23.163 5.520 -20.004 1.00 17.34 O ATOM 24 CB TYR A 2 20.639 6.292 -18.495 1.00 19.12 C ATOM 25 CG TYR A 2 19.325 6.981 -18.197 1.00 19.80 C ATOM 26 CD1 TYR A 2 19.236 7.948 -17.206 1.00 19.93 C ATOM 27 CD2 TYR A 2 18.176 6.661 -18.908 1.00 20.43 C ATOM 28 CE1 TYR A 2 18.037 8.576 -16.930 1.00 20.67 C ATOM 29 CE2 TYR A 2 16.975 7.285 -18.639 1.00 21.16 C ATOM 30 CZ TYR A 2 16.915 8.251 -17.653 1.00 21.27 C ATOM 31 OH TYR A 2 15.716 8.862 -17.373 1.00 22.10 O ATOM 0 H TYR A 2 21.457 6.884 -21.209 1.00 19.08 H new ATOM 0 HA TYR A 2 21.787 8.099 -18.551 1.00 18.61 H new ATOM 0 HB2 TYR A 2 20.450 5.439 -19.146 1.00 19.12 H new ATOM 0 HB3 TYR A 2 21.049 5.898 -17.565 1.00 19.12 H new ATOM 0 HD1 TYR A 2 20.118 8.214 -16.642 1.00 19.93 H new ATOM 0 HD2 TYR A 2 18.223 5.912 -19.684 1.00 20.43 H new ATOM 0 HE1 TYR A 2 17.982 9.320 -16.149 1.00 20.67 H new ATOM 0 HE2 TYR A 2 16.088 7.020 -19.195 1.00 21.16 H new ATOM 0 HH TYR A 2 15.025 8.519 -17.977 1.00 22.10 H new ATOM 41 N SER A 3 23.978 6.905 -18.436 1.00 17.23 N ATOM 42 CA SER A 3 25.290 6.279 -18.426 1.00 16.40 C ATOM 43 C SER A 3 25.226 4.927 -17.713 1.00 15.74 C ATOM 44 O SER A 3 24.792 4.842 -16.562 1.00 15.62 O ATOM 45 CB SER A 3 26.311 7.195 -17.742 1.00 16.48 C ATOM 46 OG SER A 3 27.627 6.676 -17.858 1.00 16.86 O ATOM 0 H SER A 3 23.877 7.691 -17.794 1.00 17.23 H new ATOM 0 HA SER A 3 25.607 6.115 -19.456 1.00 16.40 H new ATOM 0 HB2 SER A 3 26.269 8.188 -18.189 1.00 16.48 H new ATOM 0 HB3 SER A 3 26.054 7.308 -16.689 1.00 16.48 H new ATOM 0 HG SER A 3 28.258 7.281 -17.414 1.00 16.86 H new ATOM 52 N PRO A 4 25.663 3.848 -18.386 1.00 15.46 N ATOM 53 CA PRO A 4 25.650 2.499 -17.817 1.00 15.00 C ATOM 54 C PRO A 4 26.805 2.271 -16.849 1.00 14.24 C ATOM 55 O PRO A 4 27.265 1.146 -16.652 1.00 13.43 O ATOM 56 CB PRO A 4 25.785 1.602 -19.046 1.00 15.20 C ATOM 57 CG PRO A 4 26.567 2.417 -20.018 1.00 15.47 C ATOM 58 CD PRO A 4 26.202 3.858 -19.760 1.00 15.76 C ATOM 0 HA PRO A 4 24.752 2.305 -17.231 1.00 15.00 H new ATOM 0 HB2 PRO A 4 26.299 0.672 -18.804 1.00 15.20 H new ATOM 0 HB3 PRO A 4 24.809 1.332 -19.449 1.00 15.20 H new ATOM 0 HG2 PRO A 4 27.637 2.258 -19.885 1.00 15.47 H new ATOM 0 HG3 PRO A 4 26.328 2.134 -21.043 1.00 15.47 H new ATOM 0 HD2 PRO A 4 27.071 4.511 -19.843 1.00 15.76 H new ATOM 0 HD3 PRO A 4 25.463 4.217 -20.476 1.00 15.76 H new ATOM 66 N THR A 5 27.262 3.351 -16.251 1.00 14.65 N ATOM 67 CA THR A 5 28.339 3.300 -15.283 1.00 14.22 C ATOM 68 C THR A 5 27.767 3.303 -13.869 1.00 13.17 C ATOM 69 O THR A 5 28.449 2.971 -12.897 1.00 12.56 O ATOM 70 CB THR A 5 29.287 4.498 -15.457 1.00 15.22 C ATOM 71 OG1 THR A 5 29.553 4.706 -16.851 1.00 15.79 O ATOM 72 CG2 THR A 5 30.591 4.258 -14.718 1.00 15.33 C ATOM 0 H THR A 5 26.898 4.289 -16.422 1.00 14.65 H new ATOM 0 HA THR A 5 28.903 2.382 -15.447 1.00 14.22 H new ATOM 0 HB THR A 5 28.808 5.384 -15.041 1.00 15.22 H new ATOM 0 HG1 THR A 5 28.929 5.373 -17.207 1.00 15.79 H new ATOM 0 HG21 THR A 5 31.249 5.117 -14.853 1.00 15.33 H new ATOM 0 HG22 THR A 5 30.387 4.120 -13.656 1.00 15.33 H new ATOM 0 HG23 THR A 5 31.074 3.365 -15.114 1.00 15.33 H new ATOM 80 N SER A 6 26.488 3.646 -13.777 1.00 13.06 N ATOM 81 CA SER A 6 25.798 3.753 -12.500 1.00 12.17 C ATOM 82 C SER A 6 25.759 2.415 -11.769 1.00 11.07 C ATOM 83 O SER A 6 25.516 2.369 -10.568 1.00 10.23 O ATOM 84 CB SER A 6 24.381 4.275 -12.723 1.00 12.55 C ATOM 85 OG SER A 6 24.405 5.480 -13.469 1.00 13.32 O ATOM 0 H SER A 6 25.902 3.857 -14.585 1.00 13.06 H new ATOM 0 HA SER A 6 26.350 4.454 -11.874 1.00 12.17 H new ATOM 0 HB2 SER A 6 23.791 3.526 -13.251 1.00 12.55 H new ATOM 0 HB3 SER A 6 23.895 4.445 -11.762 1.00 12.55 H new ATOM 0 HG SER A 6 24.510 5.273 -14.421 1.00 13.32 H new ATOM 91 N ILE A 7 26.008 1.329 -12.488 1.00 11.18 N ATOM 92 CA ILE A 7 25.983 0.007 -11.878 1.00 10.37 C ATOM 93 C ILE A 7 27.336 -0.346 -11.266 1.00 9.98 C ATOM 94 O ILE A 7 27.429 -1.244 -10.433 1.00 9.20 O ATOM 95 CB ILE A 7 25.557 -1.094 -12.872 1.00 10.88 C ATOM 96 CG1 ILE A 7 26.377 -1.014 -14.164 1.00 11.65 C ATOM 97 CG2 ILE A 7 24.067 -0.992 -13.160 1.00 10.56 C ATOM 98 CD1 ILE A 7 26.031 -2.088 -15.174 1.00 12.15 C ATOM 0 H ILE A 7 26.227 1.336 -13.484 1.00 11.18 H new ATOM 0 HA ILE A 7 25.234 0.051 -11.088 1.00 10.37 H new ATOM 0 HB ILE A 7 25.754 -2.066 -12.419 1.00 10.88 H new ATOM 0 HG12 ILE A 7 26.224 -0.036 -14.621 1.00 11.65 H new ATOM 0 HG13 ILE A 7 27.436 -1.088 -13.917 1.00 11.65 H new ATOM 0 HG21 ILE A 7 23.778 -1.774 -13.862 1.00 10.56 H new ATOM 0 HG22 ILE A 7 23.508 -1.113 -12.232 1.00 10.56 H new ATOM 0 HG23 ILE A 7 23.846 -0.016 -13.592 1.00 10.56 H new ATOM 0 HD11 ILE A 7 26.652 -1.966 -16.061 1.00 12.15 H new ATOM 0 HD12 ILE A 7 26.211 -3.070 -14.737 1.00 12.15 H new ATOM 0 HD13 ILE A 7 24.981 -2.001 -15.452 1.00 12.15 H new ATOM 110 N LEU A 8 28.383 0.354 -11.685 1.00 10.74 N ATOM 111 CA LEU A 8 29.705 0.159 -11.099 1.00 10.77 C ATOM 112 C LEU A 8 29.837 1.004 -9.841 1.00 10.46 C ATOM 113 O LEU A 8 30.413 0.574 -8.841 1.00 10.30 O ATOM 114 CB LEU A 8 30.822 0.523 -12.088 1.00 11.94 C ATOM 115 CG LEU A 8 30.956 -0.375 -13.328 1.00 12.47 C ATOM 116 CD1 LEU A 8 30.821 -1.845 -12.961 1.00 12.44 C ATOM 117 CD2 LEU A 8 29.947 0.016 -14.395 1.00 13.09 C ATOM 0 H LEU A 8 28.344 1.057 -12.423 1.00 10.74 H new ATOM 0 HA LEU A 8 29.810 -0.897 -10.850 1.00 10.77 H new ATOM 0 HB2 LEU A 8 30.661 1.547 -12.424 1.00 11.94 H new ATOM 0 HB3 LEU A 8 31.771 0.509 -11.552 1.00 11.94 H new ATOM 0 HG LEU A 8 31.954 -0.227 -13.739 1.00 12.47 H new ATOM 0 HD11 LEU A 8 30.920 -2.455 -13.859 1.00 12.44 H new ATOM 0 HD12 LEU A 8 31.602 -2.116 -12.250 1.00 12.44 H new ATOM 0 HD13 LEU A 8 29.844 -2.019 -12.510 1.00 12.44 H new ATOM 0 HD21 LEU A 8 30.063 -0.635 -15.262 1.00 13.09 H new ATOM 0 HD22 LEU A 8 28.938 -0.087 -13.997 1.00 13.09 H new ATOM 0 HD23 LEU A 8 30.115 1.051 -14.693 1.00 13.09 H new ATOM 129 N ASP A 9 29.298 2.214 -9.905 1.00 10.57 N ATOM 130 CA ASP A 9 29.320 3.127 -8.769 1.00 10.51 C ATOM 131 C ASP A 9 28.220 2.793 -7.773 1.00 9.48 C ATOM 132 O ASP A 9 28.416 2.967 -6.571 1.00 9.50 O ATOM 133 CB ASP A 9 29.163 4.580 -9.231 1.00 11.48 C ATOM 134 CG ASP A 9 30.470 5.200 -9.676 1.00 12.16 C ATOM 135 OD1 ASP A 9 30.605 5.507 -10.881 1.00 12.46 O ATOM 136 OD2 ASP A 9 31.377 5.359 -8.831 1.00 12.54 O ATOM 0 H ASP A 9 28.838 2.588 -10.735 1.00 10.57 H new ATOM 0 HA ASP A 9 30.287 3.010 -8.279 1.00 10.51 H new ATOM 0 HB2 ASP A 9 28.449 4.619 -10.054 1.00 11.48 H new ATOM 0 HB3 ASP A 9 28.744 5.172 -8.417 1.00 11.48 H new ATOM 141 N ILE A 10 27.088 2.289 -8.290 1.00 8.74 N ATOM 142 CA ILE A 10 25.902 1.923 -7.496 1.00 7.86 C ATOM 143 C ILE A 10 25.735 2.753 -6.226 1.00 7.43 C ATOM 144 O ILE A 10 25.539 2.217 -5.138 1.00 6.73 O ATOM 145 CB ILE A 10 25.842 0.405 -7.171 1.00 7.25 C ATOM 146 CG1 ILE A 10 27.228 -0.259 -7.180 1.00 7.42 C ATOM 147 CG2 ILE A 10 24.922 -0.300 -8.153 1.00 7.55 C ATOM 148 CD1 ILE A 10 28.051 -0.015 -5.937 1.00 7.84 C ATOM 0 H ILE A 10 26.968 2.121 -9.289 1.00 8.74 H new ATOM 0 HA ILE A 10 25.057 2.161 -8.142 1.00 7.86 H new ATOM 0 HB ILE A 10 25.449 0.310 -6.159 1.00 7.25 H new ATOM 0 HG12 ILE A 10 27.101 -1.334 -7.310 1.00 7.42 H new ATOM 0 HG13 ILE A 10 27.784 0.103 -8.045 1.00 7.42 H new ATOM 0 HG21 ILE A 10 24.886 -1.364 -7.918 1.00 7.55 H new ATOM 0 HG22 ILE A 10 23.920 0.122 -8.080 1.00 7.55 H new ATOM 0 HG23 ILE A 10 25.300 -0.165 -9.167 1.00 7.55 H new ATOM 0 HD11 ILE A 10 29.012 -0.521 -6.032 1.00 7.84 H new ATOM 0 HD12 ILE A 10 28.215 1.056 -5.813 1.00 7.84 H new ATOM 0 HD13 ILE A 10 27.521 -0.404 -5.068 1.00 7.84 H new ATOM 160 N ARG A 11 25.799 4.070 -6.390 1.00 8.07 N ATOM 161 CA ARG A 11 25.625 5.004 -5.286 1.00 7.96 C ATOM 162 C ARG A 11 24.160 5.369 -5.181 1.00 7.79 C ATOM 163 O ARG A 11 23.361 4.987 -6.038 1.00 8.29 O ATOM 164 CB ARG A 11 26.448 6.273 -5.521 1.00 9.08 C ATOM 165 CG ARG A 11 27.893 6.007 -5.897 1.00 9.98 C ATOM 166 CD ARG A 11 28.655 7.298 -6.135 1.00 10.66 C ATOM 167 NE ARG A 11 29.963 7.056 -6.742 1.00 11.50 N ATOM 168 CZ ARG A 11 30.987 7.901 -6.671 1.00 12.34 C ATOM 169 NH1 ARG A 11 30.870 9.048 -6.010 1.00 12.46 N ATOM 170 NH2 ARG A 11 32.125 7.599 -7.279 1.00 13.19 N ATOM 0 H ARG A 11 25.972 4.518 -7.290 1.00 8.07 H new ATOM 0 HA ARG A 11 25.966 4.534 -4.363 1.00 7.96 H new ATOM 0 HB2 ARG A 11 25.979 6.857 -6.312 1.00 9.08 H new ATOM 0 HB3 ARG A 11 26.424 6.882 -4.618 1.00 9.08 H new ATOM 0 HG2 ARG A 11 28.378 5.439 -5.103 1.00 9.98 H new ATOM 0 HG3 ARG A 11 27.928 5.392 -6.796 1.00 9.98 H new ATOM 0 HD2 ARG A 11 28.070 7.951 -6.783 1.00 10.66 H new ATOM 0 HD3 ARG A 11 28.786 7.822 -5.188 1.00 10.66 H new ATOM 0 HE ARG A 11 30.098 6.183 -7.252 1.00 11.50 H new ATOM 0 HH11 ARG A 11 29.990 9.285 -5.552 1.00 12.46 H new ATOM 0 HH12 ARG A 11 31.660 9.691 -5.960 1.00 12.46 H new ATOM 0 HH21 ARG A 11 32.210 6.724 -7.796 1.00 13.19 H new ATOM 0 HH22 ARG A 11 32.916 8.241 -7.230 1.00 13.19 H new ATOM 184 N GLN A 12 23.796 6.104 -4.148 1.00 7.29 N ATOM 185 CA GLN A 12 22.415 6.518 -3.999 1.00 7.16 C ATOM 186 C GLN A 12 22.185 7.863 -4.655 1.00 7.82 C ATOM 187 O GLN A 12 22.609 8.897 -4.135 1.00 8.10 O ATOM 188 CB GLN A 12 21.998 6.602 -2.537 1.00 6.33 C ATOM 189 CG GLN A 12 20.490 6.713 -2.369 1.00 6.44 C ATOM 190 CD GLN A 12 20.070 6.998 -0.945 1.00 6.33 C ATOM 191 OE1 GLN A 12 20.773 6.660 0.006 1.00 6.37 O ATOM 192 NE2 GLN A 12 18.907 7.606 -0.789 1.00 6.60 N ATOM 0 H GLN A 12 24.425 6.422 -3.411 1.00 7.29 H new ATOM 0 HA GLN A 12 21.806 5.758 -4.489 1.00 7.16 H new ATOM 0 HB2 GLN A 12 22.356 5.718 -2.009 1.00 6.33 H new ATOM 0 HB3 GLN A 12 22.477 7.465 -2.075 1.00 6.33 H new ATOM 0 HG2 GLN A 12 20.116 7.506 -3.017 1.00 6.44 H new ATOM 0 HG3 GLN A 12 20.025 5.784 -2.700 1.00 6.44 H new ATOM 0 HE21 GLN A 12 18.356 7.869 -1.606 1.00 6.60 H new ATOM 0 HE22 GLN A 12 18.561 7.812 0.148 1.00 6.60 H new ATOM 201 N GLY A 13 21.541 7.842 -5.808 1.00 8.30 N ATOM 202 CA GLY A 13 21.112 9.070 -6.432 1.00 9.01 C ATOM 203 C GLY A 13 20.068 9.766 -5.586 1.00 8.63 C ATOM 204 O GLY A 13 19.356 9.108 -4.822 1.00 7.84 O ATOM 0 H GLY A 13 21.307 6.994 -6.324 1.00 8.30 H new ATOM 0 HA2 GLY A 13 21.968 9.729 -6.576 1.00 9.01 H new ATOM 0 HA3 GLY A 13 20.704 8.858 -7.420 1.00 9.01 H new ATOM 208 N PRO A 14 19.940 11.091 -5.700 1.00 9.33 N ATOM 209 CA PRO A 14 19.020 11.871 -4.861 1.00 9.17 C ATOM 210 C PRO A 14 17.545 11.558 -5.126 1.00 8.90 C ATOM 211 O PRO A 14 16.658 12.151 -4.515 1.00 8.50 O ATOM 212 CB PRO A 14 19.344 13.321 -5.238 1.00 10.25 C ATOM 213 CG PRO A 14 19.941 13.242 -6.600 1.00 10.91 C ATOM 214 CD PRO A 14 20.686 11.940 -6.647 1.00 10.46 C ATOM 0 HA PRO A 14 19.155 11.646 -3.803 1.00 9.17 H new ATOM 0 HB2 PRO A 14 18.446 13.939 -5.236 1.00 10.25 H new ATOM 0 HB3 PRO A 14 20.040 13.767 -4.528 1.00 10.25 H new ATOM 0 HG2 PRO A 14 19.168 13.278 -7.368 1.00 10.91 H new ATOM 0 HG3 PRO A 14 20.611 14.082 -6.782 1.00 10.91 H new ATOM 0 HD2 PRO A 14 20.691 11.515 -7.651 1.00 10.46 H new ATOM 0 HD3 PRO A 14 21.727 12.060 -6.346 1.00 10.46 H new ATOM 222 N LYS A 15 17.289 10.628 -6.036 1.00 9.36 N ATOM 223 CA LYS A 15 15.926 10.235 -6.370 1.00 9.53 C ATOM 224 C LYS A 15 15.686 8.752 -6.086 1.00 9.20 C ATOM 225 O LYS A 15 14.602 8.234 -6.356 1.00 9.66 O ATOM 226 CB LYS A 15 15.641 10.546 -7.849 1.00 10.67 C ATOM 227 CG LYS A 15 16.613 9.899 -8.839 1.00 11.41 C ATOM 228 CD LYS A 15 16.268 8.443 -9.126 1.00 12.05 C ATOM 229 CE LYS A 15 17.260 7.809 -10.085 1.00 12.96 C ATOM 230 NZ LYS A 15 16.904 6.400 -10.404 1.00 13.55 N ATOM 0 H LYS A 15 18.010 10.130 -6.558 1.00 9.36 H new ATOM 0 HA LYS A 15 15.244 10.808 -5.741 1.00 9.53 H new ATOM 0 HB2 LYS A 15 14.629 10.217 -8.087 1.00 10.67 H new ATOM 0 HB3 LYS A 15 15.666 11.627 -7.990 1.00 10.67 H new ATOM 0 HG2 LYS A 15 16.605 10.462 -9.772 1.00 11.41 H new ATOM 0 HG3 LYS A 15 17.626 9.958 -8.440 1.00 11.41 H new ATOM 0 HD2 LYS A 15 16.255 7.881 -8.192 1.00 12.05 H new ATOM 0 HD3 LYS A 15 15.265 8.383 -9.548 1.00 12.05 H new ATOM 0 HE2 LYS A 15 17.297 8.391 -11.006 1.00 12.96 H new ATOM 0 HE3 LYS A 15 18.258 7.841 -9.648 1.00 12.96 H new ATOM 0 HZ1 LYS A 15 17.754 5.890 -10.718 1.00 13.55 H new ATOM 0 HZ2 LYS A 15 16.517 5.939 -9.556 1.00 13.55 H new ATOM 0 HZ3 LYS A 15 16.192 6.385 -11.162 1.00 13.55 H new ATOM 244 N GLU A 16 16.690 8.076 -5.536 1.00 8.57 N ATOM 245 CA GLU A 16 16.656 6.625 -5.446 1.00 8.39 C ATOM 246 C GLU A 16 16.043 6.154 -4.132 1.00 7.72 C ATOM 247 O GLU A 16 16.543 6.480 -3.053 1.00 6.94 O ATOM 248 CB GLU A 16 18.061 6.044 -5.582 1.00 8.10 C ATOM 249 CG GLU A 16 18.073 4.678 -6.245 1.00 8.26 C ATOM 250 CD GLU A 16 17.832 4.776 -7.736 1.00 9.36 C ATOM 251 OE1 GLU A 16 18.804 4.650 -8.510 1.00 9.85 O ATOM 252 OE2 GLU A 16 16.677 5.007 -8.147 1.00 9.91 O ATOM 0 H GLU A 16 17.530 8.508 -5.150 1.00 8.57 H new ATOM 0 HA GLU A 16 16.031 6.270 -6.266 1.00 8.39 H new ATOM 0 HB2 GLU A 16 18.678 6.730 -6.163 1.00 8.10 H new ATOM 0 HB3 GLU A 16 18.514 5.967 -4.594 1.00 8.10 H new ATOM 0 HG2 GLU A 16 19.032 4.194 -6.063 1.00 8.26 H new ATOM 0 HG3 GLU A 16 17.307 4.048 -5.793 1.00 8.26 H new ATOM 259 N PRO A 17 14.943 5.390 -4.208 1.00 8.28 N ATOM 260 CA PRO A 17 14.344 4.743 -3.043 1.00 8.07 C ATOM 261 C PRO A 17 15.204 3.586 -2.542 1.00 7.31 C ATOM 262 O PRO A 17 15.792 2.855 -3.343 1.00 7.39 O ATOM 263 CB PRO A 17 12.994 4.221 -3.556 1.00 9.21 C ATOM 264 CG PRO A 17 12.803 4.856 -4.892 1.00 9.95 C ATOM 265 CD PRO A 17 14.179 5.111 -5.427 1.00 9.45 C ATOM 0 HA PRO A 17 14.245 5.429 -2.202 1.00 8.07 H new ATOM 0 HB2 PRO A 17 12.998 3.134 -3.635 1.00 9.21 H new ATOM 0 HB3 PRO A 17 12.186 4.488 -2.875 1.00 9.21 H new ATOM 0 HG2 PRO A 17 12.240 4.202 -5.558 1.00 9.95 H new ATOM 0 HG3 PRO A 17 12.239 5.785 -4.806 1.00 9.95 H new ATOM 0 HD2 PRO A 17 14.572 4.248 -5.965 1.00 9.45 H new ATOM 0 HD3 PRO A 17 14.196 5.953 -6.119 1.00 9.45 H new ATOM 273 N PHE A 18 15.268 3.433 -1.224 1.00 6.75 N ATOM 274 CA PHE A 18 16.164 2.472 -0.577 1.00 6.11 C ATOM 275 C PHE A 18 16.136 1.089 -1.230 1.00 6.56 C ATOM 276 O PHE A 18 17.170 0.596 -1.677 1.00 6.14 O ATOM 277 CB PHE A 18 15.807 2.340 0.902 1.00 6.14 C ATOM 278 CG PHE A 18 16.803 1.538 1.690 1.00 5.98 C ATOM 279 CD1 PHE A 18 16.541 0.217 2.021 1.00 6.36 C ATOM 280 CD2 PHE A 18 17.999 2.101 2.099 1.00 5.83 C ATOM 281 CE1 PHE A 18 17.454 -0.524 2.744 1.00 6.55 C ATOM 282 CE2 PHE A 18 18.916 1.366 2.822 1.00 6.04 C ATOM 283 CZ PHE A 18 18.644 0.058 3.151 1.00 6.38 C ATOM 0 H PHE A 18 14.700 3.971 -0.570 1.00 6.75 H new ATOM 0 HA PHE A 18 17.175 2.863 -0.694 1.00 6.11 H new ATOM 0 HB2 PHE A 18 15.727 3.336 1.339 1.00 6.14 H new ATOM 0 HB3 PHE A 18 14.826 1.874 0.990 1.00 6.14 H new ATOM 0 HD1 PHE A 18 15.612 -0.237 1.710 1.00 6.36 H new ATOM 0 HD2 PHE A 18 18.217 3.129 1.849 1.00 5.83 H new ATOM 0 HE1 PHE A 18 17.242 -1.554 2.992 1.00 6.55 H new ATOM 0 HE2 PHE A 18 19.848 1.818 3.130 1.00 6.04 H new ATOM 0 HZ PHE A 18 19.357 -0.514 3.726 1.00 6.38 H new ATOM 293 N ARG A 19 14.956 0.477 -1.287 1.00 7.57 N ATOM 294 CA ARG A 19 14.804 -0.888 -1.781 1.00 8.30 C ATOM 295 C ARG A 19 15.416 -1.074 -3.174 1.00 8.53 C ATOM 296 O ARG A 19 16.011 -2.115 -3.457 1.00 8.98 O ATOM 297 CB ARG A 19 13.323 -1.257 -1.800 1.00 9.53 C ATOM 298 CG ARG A 19 13.041 -2.706 -2.151 1.00 10.28 C ATOM 299 CD ARG A 19 13.616 -3.663 -1.116 1.00 11.35 C ATOM 300 NE ARG A 19 13.264 -5.052 -1.408 1.00 12.03 N ATOM 301 CZ ARG A 19 13.983 -6.106 -1.017 1.00 13.02 C ATOM 302 NH1 ARG A 19 15.091 -5.939 -0.306 1.00 13.43 N ATOM 303 NH2 ARG A 19 13.586 -7.331 -1.334 1.00 13.72 N ATOM 0 H ARG A 19 14.081 0.912 -0.993 1.00 7.57 H new ATOM 0 HA ARG A 19 15.345 -1.551 -1.106 1.00 8.30 H new ATOM 0 HB2 ARG A 19 12.896 -1.044 -0.820 1.00 9.53 H new ATOM 0 HB3 ARG A 19 12.811 -0.616 -2.518 1.00 9.53 H new ATOM 0 HG2 ARG A 19 11.964 -2.858 -2.228 1.00 10.28 H new ATOM 0 HG3 ARG A 19 13.465 -2.932 -3.129 1.00 10.28 H new ATOM 0 HD2 ARG A 19 14.701 -3.561 -1.089 1.00 11.35 H new ATOM 0 HD3 ARG A 19 13.246 -3.394 -0.127 1.00 11.35 H new ATOM 0 HE ARG A 19 12.414 -5.226 -1.945 1.00 12.03 H new ATOM 0 HH11 ARG A 19 15.399 -5.000 -0.054 1.00 13.43 H new ATOM 0 HH12 ARG A 19 15.635 -6.750 -0.011 1.00 13.43 H new ATOM 0 HH21 ARG A 19 12.732 -7.466 -1.876 1.00 13.72 H new ATOM 0 HH22 ARG A 19 14.134 -8.138 -1.036 1.00 13.72 H new ATOM 317 N ASP A 20 15.293 -0.066 -4.030 1.00 8.44 N ATOM 318 CA ASP A 20 15.824 -0.160 -5.387 1.00 9.01 C ATOM 319 C ASP A 20 17.314 0.129 -5.379 1.00 8.27 C ATOM 320 O ASP A 20 18.098 -0.573 -6.011 1.00 8.68 O ATOM 321 CB ASP A 20 15.114 0.817 -6.319 1.00 9.59 C ATOM 322 CG ASP A 20 15.577 0.688 -7.760 1.00 10.55 C ATOM 323 OD1 ASP A 20 15.225 -0.312 -8.415 1.00 11.24 O ATOM 324 OD2 ASP A 20 16.308 1.577 -8.241 1.00 10.78 O ATOM 0 H ASP A 20 14.835 0.819 -3.812 1.00 8.44 H new ATOM 0 HA ASP A 20 15.651 -1.172 -5.753 1.00 9.01 H new ATOM 0 HB2 ASP A 20 14.039 0.645 -6.270 1.00 9.59 H new ATOM 0 HB3 ASP A 20 15.290 1.836 -5.974 1.00 9.59 H new ATOM 329 N TYR A 21 17.689 1.164 -4.637 1.00 7.30 N ATOM 330 CA TYR A 21 19.088 1.519 -4.426 1.00 6.73 C ATOM 331 C TYR A 21 19.885 0.300 -3.972 1.00 6.19 C ATOM 332 O TYR A 21 20.968 0.016 -4.484 1.00 6.24 O ATOM 333 CB TYR A 21 19.163 2.641 -3.382 1.00 6.06 C ATOM 334 CG TYR A 21 20.535 2.889 -2.791 1.00 5.92 C ATOM 335 CD1 TYR A 21 20.715 3.076 -1.426 1.00 6.01 C ATOM 336 CD2 TYR A 21 21.656 2.917 -3.609 1.00 6.13 C ATOM 337 CE1 TYR A 21 21.972 3.283 -0.897 1.00 6.36 C ATOM 338 CE2 TYR A 21 22.918 3.126 -3.087 1.00 6.47 C ATOM 339 CZ TYR A 21 23.034 3.384 -1.678 1.00 6.60 C ATOM 340 OH TYR A 21 24.322 3.497 -1.200 1.00 7.29 O ATOM 0 H TYR A 21 17.030 1.782 -4.163 1.00 7.30 H new ATOM 0 HA TYR A 21 19.524 1.869 -5.362 1.00 6.73 H new ATOM 0 HB2 TYR A 21 18.812 3.565 -3.841 1.00 6.06 H new ATOM 0 HB3 TYR A 21 18.474 2.406 -2.571 1.00 6.06 H new ATOM 0 HD1 TYR A 21 19.858 3.059 -0.769 1.00 6.01 H new ATOM 0 HD2 TYR A 21 21.540 2.773 -4.673 1.00 6.13 H new ATOM 0 HE1 TYR A 21 22.091 3.364 0.173 1.00 6.36 H new ATOM 0 HE2 TYR A 21 23.793 3.096 -3.720 1.00 6.47 H new ATOM 0 HH TYR A 21 24.307 3.520 -0.220 1.00 7.29 H new ATOM 350 N VAL A 22 19.310 -0.432 -3.040 1.00 5.96 N ATOM 351 CA VAL A 22 19.950 -1.612 -2.478 1.00 5.81 C ATOM 352 C VAL A 22 19.889 -2.777 -3.461 1.00 6.77 C ATOM 353 O VAL A 22 20.814 -3.581 -3.540 1.00 6.77 O ATOM 354 CB VAL A 22 19.299 -2.014 -1.137 1.00 5.93 C ATOM 355 CG1 VAL A 22 19.871 -3.321 -0.608 1.00 6.61 C ATOM 356 CG2 VAL A 22 19.488 -0.904 -0.116 1.00 5.41 C ATOM 0 H VAL A 22 18.390 -0.230 -2.650 1.00 5.96 H new ATOM 0 HA VAL A 22 20.995 -1.365 -2.290 1.00 5.81 H new ATOM 0 HB VAL A 22 18.234 -2.166 -1.311 1.00 5.93 H new ATOM 0 HG11 VAL A 22 19.390 -3.573 0.337 1.00 6.61 H new ATOM 0 HG12 VAL A 22 19.690 -4.116 -1.331 1.00 6.61 H new ATOM 0 HG13 VAL A 22 20.944 -3.211 -0.451 1.00 6.61 H new ATOM 0 HG21 VAL A 22 19.026 -1.195 0.827 1.00 5.41 H new ATOM 0 HG22 VAL A 22 20.553 -0.730 0.040 1.00 5.41 H new ATOM 0 HG23 VAL A 22 19.021 0.010 -0.482 1.00 5.41 H new ATOM 366 N ASP A 23 18.808 -2.844 -4.227 1.00 7.71 N ATOM 367 CA ASP A 23 18.638 -3.898 -5.223 1.00 8.82 C ATOM 368 C ASP A 23 19.757 -3.836 -6.254 1.00 8.87 C ATOM 369 O ASP A 23 20.295 -4.863 -6.673 1.00 9.30 O ATOM 370 CB ASP A 23 17.282 -3.761 -5.921 1.00 9.88 C ATOM 371 CG ASP A 23 16.997 -4.910 -6.864 1.00 11.09 C ATOM 372 OD1 ASP A 23 17.205 -4.752 -8.082 1.00 11.57 O ATOM 373 OD2 ASP A 23 16.562 -5.981 -6.390 1.00 11.68 O ATOM 0 H ASP A 23 18.034 -2.181 -4.179 1.00 7.71 H new ATOM 0 HA ASP A 23 18.677 -4.861 -4.714 1.00 8.82 H new ATOM 0 HB2 ASP A 23 16.494 -3.708 -5.170 1.00 9.88 H new ATOM 0 HB3 ASP A 23 17.256 -2.824 -6.477 1.00 9.88 H new ATOM 378 N ARG A 24 20.118 -2.618 -6.634 1.00 8.57 N ATOM 379 CA ARG A 24 21.199 -2.391 -7.581 1.00 8.91 C ATOM 380 C ARG A 24 22.520 -2.760 -6.935 1.00 8.10 C ATOM 381 O ARG A 24 23.332 -3.499 -7.494 1.00 8.53 O ATOM 382 CB ARG A 24 21.255 -0.917 -7.973 1.00 9.20 C ATOM 383 CG ARG A 24 19.926 -0.332 -8.400 1.00 9.35 C ATOM 384 CD ARG A 24 19.908 1.169 -8.174 1.00 9.42 C ATOM 385 NE ARG A 24 20.988 1.836 -8.900 1.00 10.13 N ATOM 386 CZ ARG A 24 21.779 2.774 -8.379 1.00 10.62 C ATOM 387 NH1 ARG A 24 21.626 3.162 -7.120 1.00 10.53 N ATOM 388 NH2 ARG A 24 22.731 3.314 -9.126 1.00 11.36 N ATOM 0 H ARG A 24 19.672 -1.765 -6.297 1.00 8.57 H new ATOM 0 HA ARG A 24 21.021 -3.002 -8.466 1.00 8.91 H new ATOM 0 HB2 ARG A 24 21.636 -0.343 -7.128 1.00 9.20 H new ATOM 0 HB3 ARG A 24 21.969 -0.797 -8.788 1.00 9.20 H new ATOM 0 HG2 ARG A 24 19.748 -0.549 -9.453 1.00 9.35 H new ATOM 0 HG3 ARG A 24 19.118 -0.800 -7.837 1.00 9.35 H new ATOM 0 HD2 ARG A 24 18.948 1.574 -8.495 1.00 9.42 H new ATOM 0 HD3 ARG A 24 20.002 1.378 -7.108 1.00 9.42 H new ATOM 0 HE ARG A 24 21.147 1.565 -9.871 1.00 10.13 H new ATOM 0 HH11 ARG A 24 20.898 2.742 -6.542 1.00 10.53 H new ATOM 0 HH12 ARG A 24 22.236 3.880 -6.730 1.00 10.53 H new ATOM 0 HH21 ARG A 24 22.854 3.011 -10.092 1.00 11.36 H new ATOM 0 HH22 ARG A 24 23.340 4.032 -8.735 1.00 11.36 H new ATOM 402 N PHE A 25 22.703 -2.233 -5.737 1.00 7.02 N ATOM 403 CA PHE A 25 23.926 -2.397 -4.981 1.00 6.32 C ATOM 404 C PHE A 25 24.188 -3.868 -4.654 1.00 6.59 C ATOM 405 O PHE A 25 25.334 -4.284 -4.514 1.00 6.62 O ATOM 406 CB PHE A 25 23.810 -1.570 -3.705 1.00 5.33 C ATOM 407 CG PHE A 25 25.094 -1.425 -2.951 1.00 4.98 C ATOM 408 CD1 PHE A 25 26.011 -0.451 -3.311 1.00 4.85 C ATOM 409 CD2 PHE A 25 25.382 -2.250 -1.877 1.00 5.26 C ATOM 410 CE1 PHE A 25 27.192 -0.307 -2.612 1.00 4.99 C ATOM 411 CE2 PHE A 25 26.560 -2.108 -1.178 1.00 5.43 C ATOM 412 CZ PHE A 25 27.468 -1.136 -1.546 1.00 5.29 C ATOM 0 H PHE A 25 21.997 -1.673 -5.259 1.00 7.02 H new ATOM 0 HA PHE A 25 24.771 -2.052 -5.576 1.00 6.32 H new ATOM 0 HB2 PHE A 25 23.437 -0.578 -3.961 1.00 5.33 H new ATOM 0 HB3 PHE A 25 23.068 -2.031 -3.053 1.00 5.33 H new ATOM 0 HD1 PHE A 25 25.800 0.201 -4.146 1.00 4.85 H new ATOM 0 HD2 PHE A 25 24.676 -3.013 -1.584 1.00 5.26 H new ATOM 0 HE1 PHE A 25 27.900 0.456 -2.900 1.00 4.99 H new ATOM 0 HE2 PHE A 25 26.773 -2.757 -0.342 1.00 5.43 H new ATOM 0 HZ PHE A 25 28.393 -1.025 -1.000 1.00 5.29 H new ATOM 422 N TYR A 26 23.127 -4.655 -4.544 1.00 7.06 N ATOM 423 CA TYR A 26 23.264 -6.061 -4.199 1.00 7.60 C ATOM 424 C TYR A 26 23.428 -6.915 -5.449 1.00 8.54 C ATOM 425 O TYR A 26 24.125 -7.932 -5.432 1.00 8.87 O ATOM 426 CB TYR A 26 22.055 -6.538 -3.388 1.00 8.10 C ATOM 427 CG TYR A 26 22.138 -7.995 -2.989 1.00 8.84 C ATOM 428 CD1 TYR A 26 21.455 -8.969 -3.706 1.00 9.57 C ATOM 429 CD2 TYR A 26 22.913 -8.397 -1.908 1.00 9.04 C ATOM 430 CE1 TYR A 26 21.543 -10.302 -3.357 1.00 10.37 C ATOM 431 CE2 TYR A 26 23.002 -9.728 -1.553 1.00 9.88 C ATOM 432 CZ TYR A 26 22.315 -10.677 -2.280 1.00 10.50 C ATOM 433 OH TYR A 26 22.409 -12.005 -1.936 1.00 11.44 O ATOM 0 H TYR A 26 22.166 -4.345 -4.688 1.00 7.06 H new ATOM 0 HA TYR A 26 24.160 -6.170 -3.588 1.00 7.60 H new ATOM 0 HB2 TYR A 26 21.965 -5.927 -2.490 1.00 8.10 H new ATOM 0 HB3 TYR A 26 21.149 -6.380 -3.973 1.00 8.10 H new ATOM 0 HD1 TYR A 26 20.846 -8.679 -4.549 1.00 9.57 H new ATOM 0 HD2 TYR A 26 23.454 -7.657 -1.337 1.00 9.04 H new ATOM 0 HE1 TYR A 26 21.008 -11.048 -3.927 1.00 10.37 H new ATOM 0 HE2 TYR A 26 23.607 -10.025 -0.709 1.00 9.88 H new ATOM 0 HH TYR A 26 22.993 -12.100 -1.155 1.00 11.44 H new ATOM 443 N LYS A 27 22.800 -6.497 -6.539 1.00 9.08 N ATOM 444 CA LYS A 27 22.796 -7.294 -7.755 1.00 10.12 C ATOM 445 C LYS A 27 24.185 -7.327 -8.389 1.00 10.01 C ATOM 446 O LYS A 27 24.543 -8.294 -9.057 1.00 10.69 O ATOM 447 CB LYS A 27 21.736 -6.775 -8.733 1.00 10.87 C ATOM 448 CG LYS A 27 22.144 -5.554 -9.542 1.00 11.19 C ATOM 449 CD LYS A 27 20.969 -5.023 -10.348 1.00 12.15 C ATOM 450 CE LYS A 27 21.388 -3.935 -11.322 1.00 12.87 C ATOM 451 NZ LYS A 27 22.205 -4.479 -12.439 1.00 13.47 N ATOM 0 H LYS A 27 22.290 -5.616 -6.605 1.00 9.08 H new ATOM 0 HA LYS A 27 22.534 -8.320 -7.498 1.00 10.12 H new ATOM 0 HB2 LYS A 27 21.477 -7.578 -9.423 1.00 10.87 H new ATOM 0 HB3 LYS A 27 20.834 -6.534 -8.171 1.00 10.87 H new ATOM 0 HG2 LYS A 27 22.513 -4.776 -8.874 1.00 11.19 H new ATOM 0 HG3 LYS A 27 22.963 -5.814 -10.213 1.00 11.19 H new ATOM 0 HD2 LYS A 27 20.507 -5.843 -10.898 1.00 12.15 H new ATOM 0 HD3 LYS A 27 20.213 -4.629 -9.669 1.00 12.15 H new ATOM 0 HE2 LYS A 27 20.501 -3.446 -11.725 1.00 12.87 H new ATOM 0 HE3 LYS A 27 21.959 -3.173 -10.792 1.00 12.87 H new ATOM 0 HZ1 LYS A 27 22.300 -3.758 -13.182 1.00 13.47 H new ATOM 0 HZ2 LYS A 27 23.148 -4.738 -12.085 1.00 13.47 H new ATOM 0 HZ3 LYS A 27 21.739 -5.322 -12.832 1.00 13.47 H new ATOM 465 N THR A 28 24.971 -6.281 -8.159 1.00 9.28 N ATOM 466 CA THR A 28 26.354 -6.263 -8.612 1.00 9.35 C ATOM 467 C THR A 28 27.206 -7.216 -7.766 1.00 8.90 C ATOM 468 O THR A 28 28.155 -7.823 -8.260 1.00 9.29 O ATOM 469 CB THR A 28 26.950 -4.832 -8.569 1.00 9.07 C ATOM 470 OG1 THR A 28 28.279 -4.828 -9.104 1.00 9.27 O ATOM 471 CG2 THR A 28 26.978 -4.280 -7.152 1.00 8.30 C ATOM 0 H THR A 28 24.675 -5.440 -7.664 1.00 9.28 H new ATOM 0 HA THR A 28 26.366 -6.599 -9.649 1.00 9.35 H new ATOM 0 HB THR A 28 26.307 -4.195 -9.176 1.00 9.07 H new ATOM 0 HG1 THR A 28 28.642 -3.918 -9.072 1.00 9.27 H new ATOM 0 HG21 THR A 28 27.402 -3.276 -7.161 1.00 8.30 H new ATOM 0 HG22 THR A 28 25.963 -4.242 -6.756 1.00 8.30 H new ATOM 0 HG23 THR A 28 27.589 -4.926 -6.522 1.00 8.30 H new ATOM 479 N LEU A 29 26.827 -7.374 -6.497 1.00 8.24 N ATOM 480 CA LEU A 29 27.566 -8.226 -5.569 1.00 8.03 C ATOM 481 C LEU A 29 27.401 -9.695 -5.928 1.00 8.87 C ATOM 482 O LEU A 29 28.319 -10.494 -5.757 1.00 9.09 O ATOM 483 CB LEU A 29 27.078 -8.005 -4.136 1.00 7.48 C ATOM 484 CG LEU A 29 27.171 -6.569 -3.625 1.00 7.10 C ATOM 485 CD1 LEU A 29 26.539 -6.464 -2.248 1.00 6.93 C ATOM 486 CD2 LEU A 29 28.620 -6.103 -3.585 1.00 6.99 C ATOM 0 H LEU A 29 26.009 -6.921 -6.089 1.00 8.24 H new ATOM 0 HA LEU A 29 28.620 -7.957 -5.643 1.00 8.03 H new ATOM 0 HB2 LEU A 29 26.039 -8.329 -4.070 1.00 7.48 H new ATOM 0 HB3 LEU A 29 27.655 -8.647 -3.471 1.00 7.48 H new ATOM 0 HG LEU A 29 26.626 -5.921 -4.311 1.00 7.10 H new ATOM 0 HD11 LEU A 29 26.610 -5.436 -1.892 1.00 6.93 H new ATOM 0 HD12 LEU A 29 25.490 -6.756 -2.306 1.00 6.93 H new ATOM 0 HD13 LEU A 29 27.062 -7.124 -1.556 1.00 6.93 H new ATOM 0 HD21 LEU A 29 28.662 -5.078 -3.218 1.00 6.99 H new ATOM 0 HD22 LEU A 29 29.192 -6.750 -2.920 1.00 6.99 H new ATOM 0 HD23 LEU A 29 29.044 -6.147 -4.588 1.00 6.99 H new ATOM 498 N ARG A 30 26.218 -10.051 -6.404 1.00 9.50 N ATOM 499 CA ARG A 30 25.932 -11.431 -6.765 1.00 10.45 C ATOM 500 C ARG A 30 26.476 -11.741 -8.154 1.00 10.98 C ATOM 501 O ARG A 30 26.776 -12.889 -8.479 1.00 11.61 O ATOM 502 CB ARG A 30 24.426 -11.690 -6.714 1.00 11.14 C ATOM 503 CG ARG A 30 23.648 -11.027 -7.836 1.00 11.16 C ATOM 504 CD ARG A 30 22.153 -11.248 -7.696 1.00 11.94 C ATOM 505 NE ARG A 30 21.421 -10.654 -8.808 1.00 12.66 N ATOM 506 CZ ARG A 30 20.114 -10.409 -8.801 1.00 13.44 C ATOM 507 NH1 ARG A 30 19.376 -10.716 -7.743 1.00 13.60 N ATOM 508 NH2 ARG A 30 19.547 -9.859 -9.862 1.00 14.19 N ATOM 0 H ARG A 30 25.442 -9.405 -6.549 1.00 9.50 H new ATOM 0 HA ARG A 30 26.424 -12.087 -6.047 1.00 10.45 H new ATOM 0 HB2 ARG A 30 24.251 -12.765 -6.750 1.00 11.14 H new ATOM 0 HB3 ARG A 30 24.039 -11.336 -5.759 1.00 11.14 H new ATOM 0 HG2 ARG A 30 23.858 -9.957 -7.841 1.00 11.16 H new ATOM 0 HG3 ARG A 30 23.985 -11.422 -8.794 1.00 11.16 H new ATOM 0 HD2 ARG A 30 21.944 -12.317 -7.651 1.00 11.94 H new ATOM 0 HD3 ARG A 30 21.806 -10.815 -6.758 1.00 11.94 H new ATOM 0 HE ARG A 30 21.946 -10.410 -9.647 1.00 12.66 H new ATOM 0 HH11 ARG A 30 19.810 -11.144 -6.925 1.00 13.60 H new ATOM 0 HH12 ARG A 30 18.374 -10.524 -7.747 1.00 13.60 H new ATOM 0 HH21 ARG A 30 20.112 -9.626 -10.679 1.00 14.19 H new ATOM 0 HH22 ARG A 30 18.545 -9.668 -9.863 1.00 14.19 H new ATOM 522 N ALA A 31 26.593 -10.703 -8.967 1.00 10.87 N ATOM 523 CA ALA A 31 27.089 -10.845 -10.329 1.00 11.56 C ATOM 524 C ALA A 31 28.605 -11.013 -10.361 1.00 11.34 C ATOM 525 O ALA A 31 29.147 -11.665 -11.256 1.00 11.93 O ATOM 526 CB ALA A 31 26.673 -9.648 -11.170 1.00 11.84 C ATOM 0 H ALA A 31 26.350 -9.747 -8.706 1.00 10.87 H new ATOM 0 HA ALA A 31 26.646 -11.748 -10.750 1.00 11.56 H new ATOM 0 HB1 ALA A 31 27.051 -9.768 -12.185 1.00 11.84 H new ATOM 0 HB2 ALA A 31 25.585 -9.580 -11.193 1.00 11.84 H new ATOM 0 HB3 ALA A 31 27.084 -8.737 -10.735 1.00 11.84 H new ATOM 532 N GLU A 32 29.289 -10.420 -9.390 1.00 10.61 N ATOM 533 CA GLU A 32 30.741 -10.516 -9.314 1.00 10.60 C ATOM 534 C GLU A 32 31.159 -11.819 -8.641 1.00 10.54 C ATOM 535 O GLU A 32 30.362 -12.753 -8.528 1.00 10.89 O ATOM 536 CB GLU A 32 31.319 -9.332 -8.539 1.00 10.22 C ATOM 537 CG GLU A 32 30.999 -9.366 -7.055 1.00 9.56 C ATOM 538 CD GLU A 32 31.664 -8.240 -6.297 1.00 9.48 C ATOM 539 OE1 GLU A 32 31.064 -7.152 -6.193 1.00 9.47 O ATOM 540 OE2 GLU A 32 32.790 -8.438 -5.792 1.00 9.62 O ATOM 0 H GLU A 32 28.862 -9.869 -8.646 1.00 10.61 H new ATOM 0 HA GLU A 32 31.132 -10.500 -10.331 1.00 10.60 H new ATOM 0 HB2 GLU A 32 32.401 -9.316 -8.669 1.00 10.22 H new ATOM 0 HB3 GLU A 32 30.933 -8.406 -8.965 1.00 10.22 H new ATOM 0 HG2 GLU A 32 29.919 -9.305 -6.917 1.00 9.56 H new ATOM 0 HG3 GLU A 32 31.320 -10.321 -6.638 1.00 9.56 H new ATOM 547 N GLN A 33 32.408 -11.875 -8.200 1.00 10.31 N ATOM 548 CA GLN A 33 32.914 -13.033 -7.486 1.00 10.45 C ATOM 549 C GLN A 33 32.115 -13.268 -6.205 1.00 10.39 C ATOM 550 O GLN A 33 31.586 -12.336 -5.589 1.00 10.09 O ATOM 551 CB GLN A 33 34.404 -12.860 -7.180 1.00 10.44 C ATOM 552 CG GLN A 33 34.720 -11.710 -6.243 1.00 10.76 C ATOM 553 CD GLN A 33 36.209 -11.458 -6.133 1.00 11.12 C ATOM 554 OE1 GLN A 33 36.769 -10.650 -6.879 1.00 11.23 O ATOM 555 NE2 GLN A 33 36.863 -12.163 -5.228 1.00 11.52 N ATOM 0 H GLN A 33 33.090 -11.127 -8.326 1.00 10.31 H new ATOM 0 HA GLN A 33 32.796 -13.912 -8.120 1.00 10.45 H new ATOM 0 HB2 GLN A 33 34.783 -13.784 -6.743 1.00 10.44 H new ATOM 0 HB3 GLN A 33 34.940 -12.708 -8.117 1.00 10.44 H new ATOM 0 HG2 GLN A 33 34.225 -10.806 -6.599 1.00 10.76 H new ATOM 0 HG3 GLN A 33 34.315 -11.927 -5.254 1.00 10.76 H new ATOM 0 HE21 GLN A 33 36.360 -12.820 -4.632 1.00 11.52 H new ATOM 0 HE22 GLN A 33 37.872 -12.050 -5.125 1.00 11.52 H new ATOM 564 N ALA A 34 32.038 -14.526 -5.821 1.00 10.90 N ATOM 565 CA ALA A 34 31.172 -14.971 -4.737 1.00 11.19 C ATOM 566 C ALA A 34 31.712 -14.596 -3.363 1.00 11.09 C ATOM 567 O ALA A 34 30.949 -14.573 -2.406 1.00 11.27 O ATOM 568 CB ALA A 34 30.956 -16.473 -4.820 1.00 11.97 C ATOM 0 H ALA A 34 32.577 -15.277 -6.253 1.00 10.90 H new ATOM 0 HA ALA A 34 30.219 -14.455 -4.859 1.00 11.19 H new ATOM 0 HB1 ALA A 34 30.307 -16.793 -4.005 1.00 11.97 H new ATOM 0 HB2 ALA A 34 30.490 -16.721 -5.773 1.00 11.97 H new ATOM 0 HB3 ALA A 34 31.916 -16.984 -4.742 1.00 11.97 H new ATOM 574 N SER A 35 33.018 -14.323 -3.284 1.00 11.05 N ATOM 575 CA SER A 35 33.701 -13.993 -2.022 1.00 11.21 C ATOM 576 C SER A 35 32.874 -13.050 -1.140 1.00 10.64 C ATOM 577 O SER A 35 32.917 -11.831 -1.301 1.00 10.19 O ATOM 578 CB SER A 35 35.049 -13.346 -2.339 1.00 11.48 C ATOM 579 OG SER A 35 35.723 -14.057 -3.363 1.00 12.02 O ATOM 0 H SER A 35 33.637 -14.324 -4.095 1.00 11.05 H new ATOM 0 HA SER A 35 33.839 -14.920 -1.465 1.00 11.21 H new ATOM 0 HB2 SER A 35 34.897 -12.312 -2.648 1.00 11.48 H new ATOM 0 HB3 SER A 35 35.666 -13.322 -1.441 1.00 11.48 H new ATOM 0 HG SER A 35 36.679 -14.106 -3.153 1.00 12.02 H new ATOM 585 N GLN A 36 32.137 -13.625 -0.196 1.00 10.85 N ATOM 586 CA GLN A 36 31.207 -12.864 0.629 1.00 10.51 C ATOM 587 C GLN A 36 31.925 -12.157 1.768 1.00 10.66 C ATOM 588 O GLN A 36 31.506 -11.085 2.197 1.00 10.26 O ATOM 589 CB GLN A 36 30.132 -13.783 1.203 1.00 11.11 C ATOM 590 CG GLN A 36 29.260 -14.445 0.150 1.00 11.25 C ATOM 591 CD GLN A 36 28.291 -15.449 0.739 1.00 11.80 C ATOM 592 OE1 GLN A 36 28.682 -16.079 1.834 1.00 12.14 O flip ATOM 593 NE2 GLN A 36 27.200 -15.660 0.212 1.00 12.09 N flip ATOM 0 H GLN A 36 32.167 -14.622 0.017 1.00 10.85 H new ATOM 0 HA GLN A 36 30.744 -12.111 -0.009 1.00 10.51 H new ATOM 0 HB2 GLN A 36 30.612 -14.557 1.802 1.00 11.11 H new ATOM 0 HB3 GLN A 36 29.497 -13.207 1.876 1.00 11.11 H new ATOM 0 HG2 GLN A 36 28.701 -13.679 -0.387 1.00 11.25 H new ATOM 0 HG3 GLN A 36 29.896 -14.946 -0.580 1.00 11.25 H new ATOM 0 HE21 GLN A 36 26.935 -15.153 -0.633 1.00 12.09 H new ATOM 0 HE22 GLN A 36 26.560 -16.342 0.620 1.00 12.09 H new ATOM 602 N GLU A 37 33.012 -12.759 2.240 1.00 11.37 N ATOM 603 CA GLU A 37 33.744 -12.239 3.391 1.00 11.85 C ATOM 604 C GLU A 37 34.169 -10.788 3.184 1.00 11.40 C ATOM 605 O GLU A 37 34.170 -9.990 4.123 1.00 11.56 O ATOM 606 CB GLU A 37 34.962 -13.119 3.688 1.00 12.76 C ATOM 607 CG GLU A 37 35.930 -13.248 2.524 1.00 12.82 C ATOM 608 CD GLU A 37 37.114 -14.133 2.850 1.00 13.79 C ATOM 609 OE1 GLU A 37 38.009 -13.684 3.592 1.00 14.44 O ATOM 610 OE2 GLU A 37 37.153 -15.284 2.365 1.00 13.98 O ATOM 0 H GLU A 37 33.407 -13.611 1.842 1.00 11.37 H new ATOM 0 HA GLU A 37 33.072 -12.263 4.249 1.00 11.85 H new ATOM 0 HB2 GLU A 37 35.494 -12.708 4.546 1.00 12.76 H new ATOM 0 HB3 GLU A 37 34.618 -14.113 3.973 1.00 12.76 H new ATOM 0 HG2 GLU A 37 35.403 -13.655 1.661 1.00 12.82 H new ATOM 0 HG3 GLU A 37 36.288 -12.258 2.242 1.00 12.82 H new ATOM 617 N VAL A 38 34.517 -10.446 1.956 1.00 11.01 N ATOM 618 CA VAL A 38 34.911 -9.088 1.632 1.00 10.78 C ATOM 619 C VAL A 38 33.681 -8.209 1.451 1.00 9.91 C ATOM 620 O VAL A 38 33.615 -7.099 1.973 1.00 9.82 O ATOM 621 CB VAL A 38 35.764 -9.037 0.348 1.00 10.99 C ATOM 622 CG1 VAL A 38 36.210 -7.614 0.047 1.00 11.05 C ATOM 623 CG2 VAL A 38 36.966 -9.960 0.463 1.00 11.61 C ATOM 0 H VAL A 38 34.534 -11.092 1.166 1.00 11.01 H new ATOM 0 HA VAL A 38 35.511 -8.716 2.462 1.00 10.78 H new ATOM 0 HB VAL A 38 35.145 -9.381 -0.480 1.00 10.99 H new ATOM 0 HG11 VAL A 38 36.810 -7.606 -0.863 1.00 11.05 H new ATOM 0 HG12 VAL A 38 35.334 -6.979 -0.090 1.00 11.05 H new ATOM 0 HG13 VAL A 38 36.806 -7.236 0.878 1.00 11.05 H new ATOM 0 HG21 VAL A 38 37.554 -9.908 -0.454 1.00 11.61 H new ATOM 0 HG22 VAL A 38 37.583 -9.651 1.307 1.00 11.61 H new ATOM 0 HG23 VAL A 38 36.625 -10.984 0.618 1.00 11.61 H new ATOM 633 N LYS A 39 32.687 -8.741 0.752 1.00 9.40 N ATOM 634 CA LYS A 39 31.525 -7.958 0.348 1.00 8.62 C ATOM 635 C LYS A 39 30.638 -7.621 1.538 1.00 8.49 C ATOM 636 O LYS A 39 30.285 -6.466 1.752 1.00 8.00 O ATOM 637 CB LYS A 39 30.720 -8.719 -0.708 1.00 8.48 C ATOM 638 CG LYS A 39 31.538 -9.044 -1.943 1.00 8.87 C ATOM 639 CD LYS A 39 30.705 -9.689 -3.043 1.00 8.96 C ATOM 640 CE LYS A 39 30.156 -11.043 -2.625 1.00 9.53 C ATOM 641 NZ LYS A 39 29.607 -11.801 -3.780 1.00 9.78 N ATOM 0 H LYS A 39 32.662 -9.715 0.452 1.00 9.40 H new ATOM 0 HA LYS A 39 31.885 -7.021 -0.077 1.00 8.62 H new ATOM 0 HB2 LYS A 39 30.341 -9.644 -0.274 1.00 8.48 H new ATOM 0 HB3 LYS A 39 29.853 -8.124 -0.997 1.00 8.48 H new ATOM 0 HG2 LYS A 39 31.992 -8.130 -2.325 1.00 8.87 H new ATOM 0 HG3 LYS A 39 32.353 -9.714 -1.669 1.00 8.87 H new ATOM 0 HD2 LYS A 39 29.879 -9.029 -3.306 1.00 8.96 H new ATOM 0 HD3 LYS A 39 31.316 -9.807 -3.938 1.00 8.96 H new ATOM 0 HE2 LYS A 39 30.947 -11.625 -2.152 1.00 9.53 H new ATOM 0 HE3 LYS A 39 29.374 -10.903 -1.879 1.00 9.53 H new ATOM 0 HZ1 LYS A 39 29.108 -12.646 -3.435 1.00 9.78 H new ATOM 0 HZ2 LYS A 39 28.943 -11.198 -4.307 1.00 9.78 H new ATOM 0 HZ3 LYS A 39 30.385 -12.090 -4.407 1.00 9.78 H new ATOM 655 N ASN A 40 30.303 -8.632 2.317 1.00 9.12 N ATOM 656 CA ASN A 40 29.362 -8.483 3.429 1.00 9.38 C ATOM 657 C ASN A 40 29.852 -7.479 4.466 1.00 9.55 C ATOM 658 O ASN A 40 29.054 -6.745 5.046 1.00 9.39 O ATOM 659 CB ASN A 40 29.090 -9.835 4.096 1.00 10.35 C ATOM 660 CG ASN A 40 28.022 -10.638 3.374 1.00 10.85 C ATOM 661 OD1 ASN A 40 28.310 -11.385 2.438 1.00 10.92 O ATOM 662 ND2 ASN A 40 26.782 -10.498 3.813 1.00 11.43 N ATOM 0 H ASN A 40 30.669 -9.577 2.204 1.00 9.12 H new ATOM 0 HA ASN A 40 28.433 -8.098 3.008 1.00 9.38 H new ATOM 0 HB2 ASN A 40 30.014 -10.412 4.128 1.00 10.35 H new ATOM 0 HB3 ASN A 40 28.780 -9.671 5.128 1.00 10.35 H new ATOM 0 HD21 ASN A 40 26.023 -11.019 3.373 1.00 11.43 H new ATOM 0 HD22 ASN A 40 26.584 -9.869 4.591 1.00 11.43 H new ATOM 669 N ALA A 41 31.156 -7.439 4.692 1.00 10.04 N ATOM 670 CA ALA A 41 31.728 -6.505 5.656 1.00 10.52 C ATOM 671 C ALA A 41 31.902 -5.122 5.041 1.00 9.85 C ATOM 672 O ALA A 41 31.649 -4.106 5.689 1.00 10.08 O ATOM 673 CB ALA A 41 33.056 -7.033 6.177 1.00 11.43 C ATOM 0 H ALA A 41 31.837 -8.038 4.225 1.00 10.04 H new ATOM 0 HA ALA A 41 31.037 -6.413 6.494 1.00 10.52 H new ATOM 0 HB1 ALA A 41 33.472 -6.326 6.895 1.00 11.43 H new ATOM 0 HB2 ALA A 41 32.899 -7.995 6.664 1.00 11.43 H new ATOM 0 HB3 ALA A 41 33.750 -7.156 5.346 1.00 11.43 H new ATOM 679 N ALA A 42 32.327 -5.089 3.784 1.00 9.19 N ATOM 680 CA ALA A 42 32.533 -3.832 3.078 1.00 8.71 C ATOM 681 C ALA A 42 31.223 -3.089 2.893 1.00 7.86 C ATOM 682 O ALA A 42 31.114 -1.923 3.254 1.00 7.82 O ATOM 683 CB ALA A 42 33.189 -4.089 1.731 1.00 8.58 C ATOM 0 H ALA A 42 32.536 -5.921 3.232 1.00 9.19 H new ATOM 0 HA ALA A 42 33.193 -3.208 3.680 1.00 8.71 H new ATOM 0 HB1 ALA A 42 33.338 -3.142 1.212 1.00 8.58 H new ATOM 0 HB2 ALA A 42 34.153 -4.575 1.882 1.00 8.58 H new ATOM 0 HB3 ALA A 42 32.547 -4.734 1.131 1.00 8.58 H new ATOM 689 N THR A 43 30.230 -3.788 2.360 1.00 7.35 N ATOM 690 CA THR A 43 28.940 -3.196 2.014 1.00 6.63 C ATOM 691 C THR A 43 28.274 -2.489 3.193 1.00 6.87 C ATOM 692 O THR A 43 27.512 -1.547 2.992 1.00 6.42 O ATOM 693 CB THR A 43 27.980 -4.253 1.449 1.00 6.60 C ATOM 694 OG1 THR A 43 27.913 -5.380 2.330 1.00 6.93 O ATOM 695 CG2 THR A 43 28.437 -4.707 0.071 1.00 6.92 C ATOM 0 H THR A 43 30.294 -4.785 2.154 1.00 7.35 H new ATOM 0 HA THR A 43 29.152 -2.446 1.252 1.00 6.63 H new ATOM 0 HB THR A 43 26.990 -3.806 1.362 1.00 6.60 H new ATOM 0 HG1 THR A 43 28.613 -6.024 2.092 1.00 6.93 H new ATOM 0 HG21 THR A 43 27.745 -5.456 -0.313 1.00 6.92 H new ATOM 0 HG22 THR A 43 28.459 -3.852 -0.605 1.00 6.92 H new ATOM 0 HG23 THR A 43 29.435 -5.139 0.143 1.00 6.92 H new ATOM 703 N GLU A 44 28.566 -2.930 4.412 1.00 7.76 N ATOM 704 CA GLU A 44 28.009 -2.294 5.599 1.00 8.32 C ATOM 705 C GLU A 44 28.410 -0.827 5.643 1.00 8.48 C ATOM 706 O GLU A 44 27.565 0.062 5.725 1.00 8.35 O ATOM 707 CB GLU A 44 28.490 -3.003 6.862 1.00 9.53 C ATOM 708 CG GLU A 44 28.029 -4.443 6.954 1.00 10.03 C ATOM 709 CD GLU A 44 28.455 -5.108 8.241 1.00 11.07 C ATOM 710 OE1 GLU A 44 29.466 -5.840 8.229 1.00 11.69 O ATOM 711 OE2 GLU A 44 27.782 -4.909 9.271 1.00 11.42 O ATOM 0 H GLU A 44 29.182 -3.721 4.603 1.00 7.76 H new ATOM 0 HA GLU A 44 26.922 -2.365 5.552 1.00 8.32 H new ATOM 0 HB2 GLU A 44 29.579 -2.975 6.893 1.00 9.53 H new ATOM 0 HB3 GLU A 44 28.132 -2.458 7.735 1.00 9.53 H new ATOM 0 HG2 GLU A 44 26.943 -4.479 6.873 1.00 10.03 H new ATOM 0 HG3 GLU A 44 28.430 -5.004 6.110 1.00 10.03 H new ATOM 718 N THR A 45 29.705 -0.588 5.573 1.00 8.95 N ATOM 719 CA THR A 45 30.236 0.761 5.555 1.00 9.49 C ATOM 720 C THR A 45 30.096 1.379 4.162 1.00 8.79 C ATOM 721 O THR A 45 29.883 2.580 4.023 1.00 9.04 O ATOM 722 CB THR A 45 31.716 0.759 5.971 1.00 10.61 C ATOM 723 OG1 THR A 45 31.873 0.022 7.190 1.00 11.34 O ATOM 724 CG2 THR A 45 32.230 2.175 6.162 1.00 11.01 C ATOM 0 H THR A 45 30.415 -1.319 5.527 1.00 8.95 H new ATOM 0 HA THR A 45 29.664 1.359 6.265 1.00 9.49 H new ATOM 0 HB THR A 45 32.295 0.287 5.177 1.00 10.61 H new ATOM 0 HG1 THR A 45 32.817 0.021 7.452 1.00 11.34 H new ATOM 0 HG21 THR A 45 33.279 2.145 6.456 1.00 11.01 H new ATOM 0 HG22 THR A 45 32.131 2.727 5.227 1.00 11.01 H new ATOM 0 HG23 THR A 45 31.649 2.671 6.940 1.00 11.01 H new ATOM 732 N LEU A 46 30.206 0.537 3.141 1.00 8.07 N ATOM 733 CA LEU A 46 30.134 0.978 1.754 1.00 7.71 C ATOM 734 C LEU A 46 28.797 1.645 1.472 1.00 6.77 C ATOM 735 O LEU A 46 28.756 2.781 1.013 1.00 6.93 O ATOM 736 CB LEU A 46 30.318 -0.217 0.814 1.00 7.55 C ATOM 737 CG LEU A 46 31.114 0.051 -0.470 1.00 7.70 C ATOM 738 CD1 LEU A 46 30.483 1.161 -1.298 1.00 7.76 C ATOM 739 CD2 LEU A 46 32.550 0.392 -0.127 1.00 8.22 C ATOM 0 H LEU A 46 30.347 -0.467 3.251 1.00 8.07 H new ATOM 0 HA LEU A 46 30.931 1.701 1.583 1.00 7.71 H new ATOM 0 HB2 LEU A 46 30.816 -1.014 1.366 1.00 7.55 H new ATOM 0 HB3 LEU A 46 29.332 -0.589 0.535 1.00 7.55 H new ATOM 0 HG LEU A 46 31.097 -0.856 -1.074 1.00 7.70 H new ATOM 0 HD11 LEU A 46 31.074 1.323 -2.200 1.00 7.76 H new ATOM 0 HD12 LEU A 46 29.468 0.876 -1.576 1.00 7.76 H new ATOM 0 HD13 LEU A 46 30.454 2.080 -0.713 1.00 7.76 H new ATOM 0 HD21 LEU A 46 33.108 0.581 -1.044 1.00 8.22 H new ATOM 0 HD22 LEU A 46 32.572 1.282 0.501 1.00 8.22 H new ATOM 0 HD23 LEU A 46 33.004 -0.442 0.409 1.00 8.22 H new ATOM 751 N LEU A 47 27.712 0.937 1.781 1.00 5.99 N ATOM 752 CA LEU A 47 26.358 1.429 1.515 1.00 5.15 C ATOM 753 C LEU A 47 26.099 2.726 2.280 1.00 5.48 C ATOM 754 O LEU A 47 25.291 3.556 1.871 1.00 5.21 O ATOM 755 CB LEU A 47 25.327 0.367 1.919 1.00 4.73 C ATOM 756 CG LEU A 47 23.891 0.620 1.448 1.00 4.22 C ATOM 757 CD1 LEU A 47 23.772 0.409 -0.054 1.00 4.20 C ATOM 758 CD2 LEU A 47 22.921 -0.285 2.193 1.00 4.34 C ATOM 0 H LEU A 47 27.743 0.016 2.218 1.00 5.99 H new ATOM 0 HA LEU A 47 26.265 1.631 0.448 1.00 5.15 H new ATOM 0 HB2 LEU A 47 25.653 -0.597 1.528 1.00 4.73 H new ATOM 0 HB3 LEU A 47 25.324 0.285 3.006 1.00 4.73 H new ATOM 0 HG LEU A 47 23.636 1.657 1.667 1.00 4.22 H new ATOM 0 HD11 LEU A 47 22.744 0.594 -0.367 1.00 4.20 H new ATOM 0 HD12 LEU A 47 24.439 1.098 -0.572 1.00 4.20 H new ATOM 0 HD13 LEU A 47 24.047 -0.616 -0.300 1.00 4.20 H new ATOM 0 HD21 LEU A 47 21.905 -0.093 1.847 1.00 4.34 H new ATOM 0 HD22 LEU A 47 23.178 -1.327 2.004 1.00 4.34 H new ATOM 0 HD23 LEU A 47 22.984 -0.084 3.262 1.00 4.34 H new ATOM 770 N VAL A 48 26.796 2.880 3.397 1.00 6.32 N ATOM 771 CA VAL A 48 26.708 4.081 4.217 1.00 6.92 C ATOM 772 C VAL A 48 27.592 5.192 3.643 1.00 7.62 C ATOM 773 O VAL A 48 27.348 6.382 3.852 1.00 7.93 O ATOM 774 CB VAL A 48 27.123 3.757 5.674 1.00 7.91 C ATOM 775 CG1 VAL A 48 27.290 5.013 6.513 1.00 7.84 C ATOM 776 CG2 VAL A 48 26.102 2.832 6.317 1.00 8.67 C ATOM 0 H VAL A 48 27.438 2.176 3.761 1.00 6.32 H new ATOM 0 HA VAL A 48 25.676 4.432 4.214 1.00 6.92 H new ATOM 0 HB VAL A 48 28.091 3.258 5.634 1.00 7.91 H new ATOM 0 HG11 VAL A 48 27.581 4.737 7.527 1.00 7.84 H new ATOM 0 HG12 VAL A 48 28.062 5.645 6.073 1.00 7.84 H new ATOM 0 HG13 VAL A 48 26.347 5.559 6.542 1.00 7.84 H new ATOM 0 HG21 VAL A 48 26.405 2.612 7.341 1.00 8.67 H new ATOM 0 HG22 VAL A 48 25.126 3.316 6.324 1.00 8.67 H new ATOM 0 HG23 VAL A 48 26.043 1.904 5.748 1.00 8.67 H new ATOM 786 N GLN A 49 28.605 4.792 2.897 1.00 8.03 N ATOM 787 CA GLN A 49 29.554 5.723 2.309 1.00 8.97 C ATOM 788 C GLN A 49 28.983 6.367 1.049 1.00 8.65 C ATOM 789 O GLN A 49 29.026 7.587 0.894 1.00 9.36 O ATOM 790 CB GLN A 49 30.860 4.994 1.981 1.00 9.65 C ATOM 791 CG GLN A 49 31.882 5.853 1.255 1.00 10.72 C ATOM 792 CD GLN A 49 33.096 5.061 0.820 1.00 11.48 C ATOM 793 OE1 GLN A 49 34.074 4.945 1.557 1.00 11.55 O ATOM 794 NE2 GLN A 49 33.043 4.512 -0.383 1.00 12.22 N ATOM 0 H GLN A 49 28.794 3.813 2.681 1.00 8.03 H new ATOM 0 HA GLN A 49 29.752 6.514 3.033 1.00 8.97 H new ATOM 0 HB2 GLN A 49 31.302 4.627 2.907 1.00 9.65 H new ATOM 0 HB3 GLN A 49 30.633 4.121 1.368 1.00 9.65 H new ATOM 0 HG2 GLN A 49 31.416 6.307 0.381 1.00 10.72 H new ATOM 0 HG3 GLN A 49 32.197 6.667 1.907 1.00 10.72 H new ATOM 0 HE21 GLN A 49 32.212 4.633 -0.963 1.00 12.22 H new ATOM 0 HE22 GLN A 49 33.833 3.968 -0.731 1.00 12.22 H new ATOM 803 N ASN A 50 28.438 5.545 0.159 1.00 7.73 N ATOM 804 CA ASN A 50 27.961 6.032 -1.137 1.00 7.72 C ATOM 805 C ASN A 50 26.470 6.368 -1.114 1.00 7.17 C ATOM 806 O ASN A 50 25.851 6.563 -2.165 1.00 7.27 O ATOM 807 CB ASN A 50 28.265 5.017 -2.244 1.00 7.34 C ATOM 808 CG ASN A 50 27.491 3.718 -2.109 1.00 7.66 C ATOM 809 OD1 ASN A 50 27.119 3.307 -1.015 1.00 8.30 O ATOM 810 ND2 ASN A 50 27.268 3.049 -3.222 1.00 7.49 N ATOM 0 H ASN A 50 28.314 4.543 0.307 1.00 7.73 H new ATOM 0 HA ASN A 50 28.499 6.956 -1.349 1.00 7.72 H new ATOM 0 HB2 ASN A 50 28.037 5.467 -3.210 1.00 7.34 H new ATOM 0 HB3 ASN A 50 29.332 4.796 -2.239 1.00 7.34 H new ATOM 0 HD21 ASN A 50 26.771 2.159 -3.191 1.00 7.49 H new ATOM 0 HD22 ASN A 50 27.592 3.421 -4.115 1.00 7.49 H new ATOM 817 N ALA A 51 25.901 6.462 0.077 1.00 6.83 N ATOM 818 CA ALA A 51 24.514 6.869 0.219 1.00 6.42 C ATOM 819 C ALA A 51 24.405 8.384 0.213 1.00 7.39 C ATOM 820 O ALA A 51 25.409 9.092 0.344 1.00 8.36 O ATOM 821 CB ALA A 51 23.914 6.318 1.504 1.00 5.86 C ATOM 0 H ALA A 51 26.377 6.262 0.957 1.00 6.83 H new ATOM 0 HA ALA A 51 23.958 6.465 -0.627 1.00 6.42 H new ATOM 0 HB1 ALA A 51 22.875 6.637 1.586 1.00 5.86 H new ATOM 0 HB2 ALA A 51 23.959 5.229 1.489 1.00 5.86 H new ATOM 0 HB3 ALA A 51 24.478 6.693 2.359 1.00 5.86 H new ATOM 827 N ASN A 52 23.187 8.876 0.058 1.00 7.23 N ATOM 828 CA ASN A 52 22.922 10.304 0.150 1.00 8.14 C ATOM 829 C ASN A 52 23.199 10.767 1.575 1.00 8.57 C ATOM 830 O ASN A 52 22.701 10.150 2.517 1.00 8.09 O ATOM 831 CB ASN A 52 21.463 10.600 -0.223 1.00 7.94 C ATOM 832 CG ASN A 52 21.099 12.072 -0.101 1.00 8.81 C ATOM 833 OD1 ASN A 52 21.905 12.952 -0.380 1.00 9.40 O ATOM 834 ND2 ASN A 52 19.883 12.350 0.343 1.00 9.07 N ATOM 0 H ASN A 52 22.363 8.306 -0.133 1.00 7.23 H new ATOM 0 HA ASN A 52 23.570 10.839 -0.544 1.00 8.14 H new ATOM 0 HB2 ASN A 52 21.283 10.272 -1.247 1.00 7.94 H new ATOM 0 HB3 ASN A 52 20.805 10.015 0.420 1.00 7.94 H new ATOM 0 HD21 ASN A 52 19.593 13.321 0.462 1.00 9.07 H new ATOM 0 HD22 ASN A 52 19.236 11.594 0.566 1.00 9.07 H new ATOM 841 N PRO A 53 24.025 11.819 1.752 1.00 9.68 N ATOM 842 CA PRO A 53 24.415 12.326 3.071 1.00 10.41 C ATOM 843 C PRO A 53 23.284 12.281 4.097 1.00 10.13 C ATOM 844 O PRO A 53 23.419 11.662 5.151 1.00 10.29 O ATOM 845 CB PRO A 53 24.811 13.767 2.765 1.00 11.56 C ATOM 846 CG PRO A 53 25.390 13.706 1.393 1.00 11.66 C ATOM 847 CD PRO A 53 24.667 12.595 0.669 1.00 10.51 C ATOM 0 HA PRO A 53 25.204 11.725 3.524 1.00 10.41 H new ATOM 0 HB2 PRO A 53 23.949 14.433 2.804 1.00 11.56 H new ATOM 0 HB3 PRO A 53 25.537 14.142 3.487 1.00 11.56 H new ATOM 0 HG2 PRO A 53 25.259 14.656 0.875 1.00 11.66 H new ATOM 0 HG3 PRO A 53 26.461 13.510 1.433 1.00 11.66 H new ATOM 0 HD2 PRO A 53 23.930 12.988 -0.031 1.00 10.51 H new ATOM 0 HD3 PRO A 53 25.357 11.979 0.092 1.00 10.51 H new ATOM 855 N ASP A 54 22.161 12.894 3.752 1.00 9.86 N ATOM 856 CA ASP A 54 20.995 12.963 4.639 1.00 9.76 C ATOM 857 C ASP A 54 20.431 11.577 4.919 1.00 8.93 C ATOM 858 O ASP A 54 20.089 11.236 6.050 1.00 9.26 O ATOM 859 CB ASP A 54 19.914 13.810 3.979 1.00 9.71 C ATOM 860 CG ASP A 54 18.687 13.990 4.852 1.00 9.98 C ATOM 861 OD1 ASP A 54 17.701 13.252 4.656 1.00 10.64 O ATOM 862 OD2 ASP A 54 18.703 14.875 5.732 1.00 9.67 O ATOM 0 H ASP A 54 22.026 13.358 2.854 1.00 9.86 H new ATOM 0 HA ASP A 54 21.310 13.407 5.583 1.00 9.76 H new ATOM 0 HB2 ASP A 54 20.326 14.789 3.735 1.00 9.71 H new ATOM 0 HB3 ASP A 54 19.619 13.344 3.039 1.00 9.71 H new ATOM 867 N CYS A 55 20.377 10.788 3.867 1.00 8.04 N ATOM 868 CA CYS A 55 19.745 9.473 3.891 1.00 7.30 C ATOM 869 C CYS A 55 20.439 8.523 4.867 1.00 7.57 C ATOM 870 O CYS A 55 19.781 7.771 5.580 1.00 7.74 O ATOM 871 CB CYS A 55 19.748 8.882 2.482 1.00 6.46 C ATOM 872 SG CYS A 55 18.886 7.305 2.328 1.00 6.30 S ATOM 0 H CYS A 55 20.772 11.037 2.960 1.00 8.04 H new ATOM 0 HA CYS A 55 18.719 9.597 4.237 1.00 7.30 H new ATOM 0 HB2 CYS A 55 19.291 9.599 1.800 1.00 6.46 H new ATOM 0 HB3 CYS A 55 20.781 8.750 2.160 1.00 6.46 H new ATOM 0 HG CYS A 55 19.534 6.535 1.505 1.00 6.30 H new ATOM 878 N LYS A 56 21.761 8.539 4.896 1.00 7.87 N ATOM 879 CA LYS A 56 22.493 7.702 5.839 1.00 8.36 C ATOM 880 C LYS A 56 22.485 8.335 7.223 1.00 9.50 C ATOM 881 O LYS A 56 22.650 7.659 8.239 1.00 10.04 O ATOM 882 CB LYS A 56 23.923 7.445 5.359 1.00 8.58 C ATOM 883 CG LYS A 56 24.809 8.677 5.289 1.00 8.84 C ATOM 884 CD LYS A 56 25.433 8.819 3.913 1.00 8.68 C ATOM 885 CE LYS A 56 26.670 9.698 3.943 1.00 9.50 C ATOM 886 NZ LYS A 56 27.795 9.050 4.666 1.00 9.81 N ATOM 0 H LYS A 56 22.345 9.113 4.288 1.00 7.87 H new ATOM 0 HA LYS A 56 21.991 6.736 5.899 1.00 8.36 H new ATOM 0 HB2 LYS A 56 24.389 6.719 6.025 1.00 8.58 H new ATOM 0 HB3 LYS A 56 23.882 6.989 4.370 1.00 8.58 H new ATOM 0 HG2 LYS A 56 24.221 9.566 5.520 1.00 8.84 H new ATOM 0 HG3 LYS A 56 25.593 8.609 6.043 1.00 8.84 H new ATOM 0 HD2 LYS A 56 25.697 7.833 3.530 1.00 8.68 H new ATOM 0 HD3 LYS A 56 24.702 9.243 3.225 1.00 8.68 H new ATOM 0 HE2 LYS A 56 26.978 9.926 2.923 1.00 9.50 H new ATOM 0 HE3 LYS A 56 26.429 10.647 4.423 1.00 9.50 H new ATOM 0 HZ1 LYS A 56 28.695 9.463 4.349 1.00 9.81 H new ATOM 0 HZ2 LYS A 56 27.685 9.203 5.689 1.00 9.81 H new ATOM 0 HZ3 LYS A 56 27.794 8.029 4.467 1.00 9.81 H new ATOM 900 N THR A 57 22.276 9.640 7.245 1.00 9.98 N ATOM 901 CA THR A 57 22.246 10.402 8.483 1.00 11.08 C ATOM 902 C THR A 57 21.015 10.051 9.322 1.00 11.16 C ATOM 903 O THR A 57 21.101 9.918 10.542 1.00 12.08 O ATOM 904 CB THR A 57 22.276 11.916 8.190 1.00 11.53 C ATOM 905 OG1 THR A 57 23.549 12.274 7.641 1.00 12.00 O ATOM 906 CG2 THR A 57 22.013 12.740 9.437 1.00 12.46 C ATOM 0 H THR A 57 22.122 10.201 6.407 1.00 9.98 H new ATOM 0 HA THR A 57 23.134 10.137 9.056 1.00 11.08 H new ATOM 0 HB THR A 57 21.483 12.131 7.474 1.00 11.53 H new ATOM 0 HG1 THR A 57 23.704 11.767 6.817 1.00 12.00 H new ATOM 0 HG21 THR A 57 22.043 13.800 9.186 1.00 12.46 H new ATOM 0 HG22 THR A 57 21.031 12.490 9.838 1.00 12.46 H new ATOM 0 HG23 THR A 57 22.776 12.522 10.184 1.00 12.46 H new ATOM 914 N ILE A 58 19.875 9.882 8.669 1.00 10.34 N ATOM 915 CA ILE A 58 18.649 9.538 9.378 1.00 10.60 C ATOM 916 C ILE A 58 18.754 8.156 10.013 1.00 10.65 C ATOM 917 O ILE A 58 18.217 7.924 11.093 1.00 11.46 O ATOM 918 CB ILE A 58 17.416 9.571 8.460 1.00 9.96 C ATOM 919 CG1 ILE A 58 17.589 8.586 7.307 1.00 8.86 C ATOM 920 CG2 ILE A 58 17.182 10.979 7.938 1.00 10.22 C ATOM 921 CD1 ILE A 58 16.387 8.476 6.404 1.00 8.44 C ATOM 0 H ILE A 58 19.772 9.976 7.659 1.00 10.34 H new ATOM 0 HA ILE A 58 18.523 10.293 10.154 1.00 10.60 H new ATOM 0 HB ILE A 58 16.541 9.272 9.037 1.00 9.96 H new ATOM 0 HG12 ILE A 58 18.451 8.888 6.712 1.00 8.86 H new ATOM 0 HG13 ILE A 58 17.814 7.601 7.716 1.00 8.86 H new ATOM 0 HG21 ILE A 58 16.306 10.986 7.290 1.00 10.22 H new ATOM 0 HG22 ILE A 58 17.018 11.655 8.777 1.00 10.22 H new ATOM 0 HG23 ILE A 58 18.054 11.307 7.373 1.00 10.22 H new ATOM 0 HD11 ILE A 58 16.592 7.756 5.611 1.00 8.44 H new ATOM 0 HD12 ILE A 58 15.526 8.142 6.983 1.00 8.44 H new ATOM 0 HD13 ILE A 58 16.173 9.450 5.963 1.00 8.44 H new ATOM 933 N LEU A 59 19.458 7.252 9.342 1.00 9.90 N ATOM 934 CA LEU A 59 19.639 5.890 9.837 1.00 9.98 C ATOM 935 C LEU A 59 20.287 5.894 11.213 1.00 11.20 C ATOM 936 O LEU A 59 19.833 5.214 12.136 1.00 11.84 O ATOM 937 CB LEU A 59 20.505 5.085 8.869 1.00 9.07 C ATOM 938 CG LEU A 59 19.944 4.958 7.455 1.00 7.91 C ATOM 939 CD1 LEU A 59 20.846 4.084 6.596 1.00 7.28 C ATOM 940 CD2 LEU A 59 18.534 4.398 7.500 1.00 7.92 C ATOM 0 H LEU A 59 19.915 7.438 8.449 1.00 9.90 H new ATOM 0 HA LEU A 59 18.655 5.427 9.914 1.00 9.98 H new ATOM 0 HB2 LEU A 59 21.489 5.550 8.813 1.00 9.07 H new ATOM 0 HB3 LEU A 59 20.648 4.085 9.278 1.00 9.07 H new ATOM 0 HG LEU A 59 19.908 5.950 7.004 1.00 7.91 H new ATOM 0 HD11 LEU A 59 20.428 4.006 5.592 1.00 7.28 H new ATOM 0 HD12 LEU A 59 21.840 4.529 6.542 1.00 7.28 H new ATOM 0 HD13 LEU A 59 20.917 3.090 7.037 1.00 7.28 H new ATOM 0 HD21 LEU A 59 18.144 4.312 6.486 1.00 7.92 H new ATOM 0 HD22 LEU A 59 18.548 3.414 7.968 1.00 7.92 H new ATOM 0 HD23 LEU A 59 17.896 5.066 8.079 1.00 7.92 H new ATOM 952 N LYS A 60 21.336 6.684 11.349 1.00 11.67 N ATOM 953 CA LYS A 60 22.073 6.766 12.599 1.00 12.90 C ATOM 954 C LYS A 60 21.347 7.671 13.588 1.00 13.86 C ATOM 955 O LYS A 60 21.582 7.611 14.794 1.00 14.91 O ATOM 956 CB LYS A 60 23.495 7.258 12.340 1.00 13.23 C ATOM 957 CG LYS A 60 23.557 8.622 11.679 1.00 13.20 C ATOM 958 CD LYS A 60 24.916 8.884 11.060 1.00 13.44 C ATOM 959 CE LYS A 60 26.035 8.760 12.085 1.00 14.35 C ATOM 960 NZ LYS A 60 27.357 9.132 11.520 1.00 14.91 N ATOM 0 H LYS A 60 21.699 7.281 10.606 1.00 11.67 H new ATOM 0 HA LYS A 60 22.133 5.771 13.040 1.00 12.90 H new ATOM 0 HB2 LYS A 60 24.034 7.298 13.286 1.00 13.23 H new ATOM 0 HB3 LYS A 60 24.011 6.534 11.709 1.00 13.23 H new ATOM 0 HG2 LYS A 60 22.788 8.689 10.910 1.00 13.20 H new ATOM 0 HG3 LYS A 60 23.338 9.394 12.417 1.00 13.20 H new ATOM 0 HD2 LYS A 60 25.088 8.179 10.247 1.00 13.44 H new ATOM 0 HD3 LYS A 60 24.931 9.883 10.624 1.00 13.44 H new ATOM 0 HE2 LYS A 60 25.814 9.399 12.940 1.00 14.35 H new ATOM 0 HE3 LYS A 60 26.075 7.735 12.455 1.00 14.35 H new ATOM 0 HZ1 LYS A 60 28.088 9.033 12.253 1.00 14.91 H new ATOM 0 HZ2 LYS A 60 27.581 8.506 10.720 1.00 14.91 H new ATOM 0 HZ3 LYS A 60 27.329 10.118 11.191 1.00 14.91 H new ATOM 974 N ALA A 61 20.463 8.510 13.065 1.00 13.54 N ATOM 975 CA ALA A 61 19.653 9.385 13.897 1.00 14.41 C ATOM 976 C ALA A 61 18.551 8.594 14.594 1.00 14.65 C ATOM 977 O ALA A 61 18.137 8.937 15.700 1.00 15.64 O ATOM 978 CB ALA A 61 19.049 10.508 13.069 1.00 14.06 C ATOM 0 H ALA A 61 20.289 8.602 12.064 1.00 13.54 H new ATOM 0 HA ALA A 61 20.300 9.824 14.656 1.00 14.41 H new ATOM 0 HB1 ALA A 61 18.447 11.151 13.712 1.00 14.06 H new ATOM 0 HB2 ALA A 61 19.847 11.095 12.615 1.00 14.06 H new ATOM 0 HB3 ALA A 61 18.419 10.085 12.286 1.00 14.06 H new ATOM 984 N LEU A 62 18.082 7.534 13.937 1.00 13.84 N ATOM 985 CA LEU A 62 17.052 6.668 14.503 1.00 14.21 C ATOM 986 C LEU A 62 17.514 6.067 15.824 1.00 14.97 C ATOM 987 O LEU A 62 16.737 5.954 16.772 1.00 15.72 O ATOM 988 CB LEU A 62 16.704 5.552 13.518 1.00 13.37 C ATOM 989 CG LEU A 62 16.122 6.022 12.186 1.00 12.15 C ATOM 990 CD1 LEU A 62 16.069 4.873 11.196 1.00 11.39 C ATOM 991 CD2 LEU A 62 14.737 6.615 12.384 1.00 12.25 C ATOM 0 H LEU A 62 18.401 7.255 13.009 1.00 13.84 H new ATOM 0 HA LEU A 62 16.164 7.272 14.690 1.00 14.21 H new ATOM 0 HB2 LEU A 62 17.604 4.971 13.319 1.00 13.37 H new ATOM 0 HB3 LEU A 62 15.989 4.880 13.992 1.00 13.37 H new ATOM 0 HG LEU A 62 16.773 6.798 11.783 1.00 12.15 H new ATOM 0 HD11 LEU A 62 15.652 5.225 10.252 1.00 11.39 H new ATOM 0 HD12 LEU A 62 17.076 4.491 11.028 1.00 11.39 H new ATOM 0 HD13 LEU A 62 15.441 4.077 11.596 1.00 11.39 H new ATOM 0 HD21 LEU A 62 14.341 6.943 11.423 1.00 12.25 H new ATOM 0 HD22 LEU A 62 14.076 5.861 12.810 1.00 12.25 H new ATOM 0 HD23 LEU A 62 14.799 7.467 13.061 1.00 12.25 H new ATOM 1003 N GLY A 63 18.782 5.690 15.884 1.00 14.89 N ATOM 1004 CA GLY A 63 19.323 5.130 17.105 1.00 15.66 C ATOM 1005 C GLY A 63 20.239 3.949 16.856 1.00 16.04 C ATOM 1006 O GLY A 63 21.457 4.105 16.854 1.00 16.17 O ATOM 0 H GLY A 63 19.445 5.761 15.112 1.00 14.89 H new ATOM 0 HA2 GLY A 63 19.873 5.903 17.641 1.00 15.66 H new ATOM 0 HA3 GLY A 63 18.502 4.817 17.750 1.00 15.66 H new ATOM 1010 N PRO A 64 19.677 2.753 16.612 1.00 16.36 N ATOM 1011 CA PRO A 64 20.460 1.518 16.442 1.00 16.89 C ATOM 1012 C PRO A 64 21.173 1.442 15.098 1.00 16.41 C ATOM 1013 O PRO A 64 21.790 0.430 14.769 1.00 16.65 O ATOM 1014 CB PRO A 64 19.394 0.428 16.529 1.00 17.44 C ATOM 1015 CG PRO A 64 18.165 1.081 16.009 1.00 16.99 C ATOM 1016 CD PRO A 64 18.228 2.504 16.488 1.00 16.40 C ATOM 0 HA PRO A 64 21.255 1.439 17.183 1.00 16.89 H new ATOM 0 HB2 PRO A 64 19.665 -0.443 15.933 1.00 17.44 H new ATOM 0 HB3 PRO A 64 19.259 0.083 17.554 1.00 17.44 H new ATOM 0 HG2 PRO A 64 18.128 1.035 14.921 1.00 16.99 H new ATOM 0 HG3 PRO A 64 17.270 0.582 16.380 1.00 16.99 H new ATOM 0 HD2 PRO A 64 17.761 3.188 15.780 1.00 16.40 H new ATOM 0 HD3 PRO A 64 17.714 2.631 17.441 1.00 16.40 H new ATOM 1024 N GLY A 65 21.066 2.504 14.318 1.00 15.83 N ATOM 1025 CA GLY A 65 21.697 2.534 13.014 1.00 15.53 C ATOM 1026 C GLY A 65 20.805 1.944 11.947 1.00 14.59 C ATOM 1027 O GLY A 65 21.210 1.830 10.790 1.00 14.42 O ATOM 0 H GLY A 65 20.552 3.350 14.564 1.00 15.83 H new ATOM 0 HA2 GLY A 65 21.944 3.563 12.753 1.00 15.53 H new ATOM 0 HA3 GLY A 65 22.635 1.980 13.051 1.00 15.53 H new ATOM 1031 N ALA A 66 19.588 1.571 12.355 1.00 14.15 N ATOM 1032 CA ALA A 66 18.590 0.998 11.455 1.00 13.39 C ATOM 1033 C ALA A 66 19.060 -0.336 10.889 1.00 13.11 C ATOM 1034 O ALA A 66 19.764 -0.392 9.883 1.00 12.58 O ATOM 1035 CB ALA A 66 18.258 1.969 10.340 1.00 12.24 C ATOM 0 H ALA A 66 19.270 1.659 13.320 1.00 14.15 H new ATOM 0 HA ALA A 66 17.684 0.813 12.031 1.00 13.39 H new ATOM 0 HB1 ALA A 66 17.513 1.524 9.680 1.00 12.24 H new ATOM 0 HB2 ALA A 66 17.861 2.891 10.766 1.00 12.24 H new ATOM 0 HB3 ALA A 66 19.160 2.192 9.771 1.00 12.24 H new ATOM 1041 N THR A 67 18.636 -1.409 11.538 1.00 13.60 N ATOM 1042 CA THR A 67 19.110 -2.746 11.211 1.00 13.52 C ATOM 1043 C THR A 67 18.689 -3.192 9.809 1.00 12.33 C ATOM 1044 O THR A 67 19.532 -3.326 8.924 1.00 11.64 O ATOM 1045 CB THR A 67 18.625 -3.771 12.252 1.00 14.67 C ATOM 1046 OG1 THR A 67 18.971 -3.322 13.570 1.00 15.33 O ATOM 1047 CG2 THR A 67 19.244 -5.139 11.997 1.00 15.45 C ATOM 0 H THR A 67 17.959 -1.380 12.300 1.00 13.60 H new ATOM 0 HA THR A 67 20.199 -2.700 11.229 1.00 13.52 H new ATOM 0 HB THR A 67 17.542 -3.862 12.168 1.00 14.67 H new ATOM 0 HG1 THR A 67 18.660 -3.976 14.231 1.00 15.33 H new ATOM 0 HG21 THR A 67 18.886 -5.846 12.746 1.00 15.45 H new ATOM 0 HG22 THR A 67 18.960 -5.487 11.004 1.00 15.45 H new ATOM 0 HG23 THR A 67 20.330 -5.064 12.059 1.00 15.45 H new ATOM 1055 N LEU A 68 17.401 -3.431 9.596 1.00 12.22 N ATOM 1056 CA LEU A 68 16.946 -3.914 8.299 1.00 11.25 C ATOM 1057 C LEU A 68 15.686 -3.185 7.849 1.00 11.10 C ATOM 1058 O LEU A 68 15.711 -2.434 6.874 1.00 10.12 O ATOM 1059 CB LEU A 68 16.710 -5.435 8.356 1.00 11.69 C ATOM 1060 CG LEU A 68 16.535 -6.158 7.006 1.00 10.84 C ATOM 1061 CD1 LEU A 68 15.164 -5.896 6.402 1.00 10.70 C ATOM 1062 CD2 LEU A 68 17.627 -5.748 6.029 1.00 9.79 C ATOM 0 H LEU A 68 16.665 -3.301 10.290 1.00 12.22 H new ATOM 0 HA LEU A 68 17.723 -3.707 7.563 1.00 11.25 H new ATOM 0 HB2 LEU A 68 17.550 -5.891 8.880 1.00 11.69 H new ATOM 0 HB3 LEU A 68 15.821 -5.619 8.959 1.00 11.69 H new ATOM 0 HG LEU A 68 16.617 -7.228 7.198 1.00 10.84 H new ATOM 0 HD11 LEU A 68 15.079 -6.422 5.451 1.00 10.70 H new ATOM 0 HD12 LEU A 68 14.392 -6.252 7.084 1.00 10.70 H new ATOM 0 HD13 LEU A 68 15.038 -4.826 6.237 1.00 10.70 H new ATOM 0 HD21 LEU A 68 17.484 -6.270 5.083 1.00 9.79 H new ATOM 0 HD22 LEU A 68 17.579 -4.672 5.860 1.00 9.79 H new ATOM 0 HD23 LEU A 68 18.602 -6.007 6.443 1.00 9.79 H new ATOM 1074 N GLU A 69 14.591 -3.372 8.571 1.00 12.16 N ATOM 1075 CA GLU A 69 13.321 -2.812 8.140 1.00 12.26 C ATOM 1076 C GLU A 69 13.262 -1.340 8.487 1.00 11.96 C ATOM 1077 O GLU A 69 12.543 -0.564 7.855 1.00 11.57 O ATOM 1078 CB GLU A 69 12.145 -3.562 8.767 1.00 13.61 C ATOM 1079 CG GLU A 69 12.175 -3.596 10.284 1.00 14.60 C ATOM 1080 CD GLU A 69 10.859 -4.040 10.873 1.00 15.86 C ATOM 1081 OE1 GLU A 69 10.589 -5.257 10.891 1.00 16.53 O ATOM 1082 OE2 GLU A 69 10.085 -3.171 11.321 1.00 16.24 O ATOM 0 H GLU A 69 14.556 -3.898 9.444 1.00 12.16 H new ATOM 0 HA GLU A 69 13.245 -2.924 7.058 1.00 12.26 H new ATOM 0 HB2 GLU A 69 11.215 -3.096 8.442 1.00 13.61 H new ATOM 0 HB3 GLU A 69 12.137 -4.585 8.391 1.00 13.61 H new ATOM 0 HG2 GLU A 69 12.965 -4.271 10.614 1.00 14.60 H new ATOM 0 HG3 GLU A 69 12.424 -2.605 10.663 1.00 14.60 H new ATOM 1089 N GLU A 70 14.044 -0.961 9.485 1.00 12.26 N ATOM 1090 CA GLU A 70 14.132 0.426 9.894 1.00 12.19 C ATOM 1091 C GLU A 70 14.730 1.258 8.772 1.00 10.92 C ATOM 1092 O GLU A 70 14.149 2.252 8.350 1.00 10.57 O ATOM 1093 CB GLU A 70 14.995 0.558 11.147 1.00 13.06 C ATOM 1094 CG GLU A 70 14.712 -0.495 12.204 1.00 14.21 C ATOM 1095 CD GLU A 70 15.504 -0.259 13.473 1.00 15.02 C ATOM 1096 OE1 GLU A 70 14.944 0.317 14.432 1.00 15.56 O ATOM 1097 OE2 GLU A 70 16.693 -0.638 13.508 1.00 15.23 O ATOM 0 H GLU A 70 14.627 -1.599 10.026 1.00 12.26 H new ATOM 0 HA GLU A 70 13.128 0.787 10.118 1.00 12.19 H new ATOM 0 HB2 GLU A 70 16.045 0.498 10.861 1.00 13.06 H new ATOM 0 HB3 GLU A 70 14.839 1.545 11.581 1.00 13.06 H new ATOM 0 HG2 GLU A 70 13.647 -0.496 12.437 1.00 14.21 H new ATOM 0 HG3 GLU A 70 14.952 -1.481 11.806 1.00 14.21 H new ATOM 1104 N MET A 71 15.877 0.814 8.268 1.00 10.30 N ATOM 1105 CA MET A 71 16.588 1.537 7.220 1.00 9.14 C ATOM 1106 C MET A 71 15.816 1.488 5.912 1.00 8.31 C ATOM 1107 O MET A 71 15.900 2.403 5.097 1.00 7.58 O ATOM 1108 CB MET A 71 18.010 0.984 7.023 1.00 8.85 C ATOM 1109 CG MET A 71 18.073 -0.444 6.504 1.00 8.69 C ATOM 1110 SD MET A 71 19.766 -1.004 6.224 1.00 8.41 S ATOM 1111 CE MET A 71 19.476 -2.609 5.483 1.00 8.50 C ATOM 0 H MET A 71 16.335 -0.046 8.570 1.00 10.30 H new ATOM 0 HA MET A 71 16.671 2.577 7.536 1.00 9.14 H new ATOM 0 HB2 MET A 71 18.544 1.632 6.328 1.00 8.85 H new ATOM 0 HB3 MET A 71 18.539 1.033 7.975 1.00 8.85 H new ATOM 0 HG2 MET A 71 17.587 -1.109 7.219 1.00 8.69 H new ATOM 0 HG3 MET A 71 17.512 -0.513 5.572 1.00 8.69 H new ATOM 0 HE1 MET A 71 20.187 -2.769 4.672 1.00 8.50 H new ATOM 0 HE2 MET A 71 19.604 -3.386 6.237 1.00 8.50 H new ATOM 0 HE3 MET A 71 18.461 -2.650 5.089 1.00 8.50 H new ATOM 1121 N MET A 72 15.038 0.432 5.723 1.00 8.67 N ATOM 1122 CA MET A 72 14.246 0.298 4.514 1.00 8.32 C ATOM 1123 C MET A 72 13.105 1.303 4.533 1.00 8.63 C ATOM 1124 O MET A 72 12.914 2.061 3.588 1.00 8.10 O ATOM 1125 CB MET A 72 13.697 -1.121 4.376 1.00 9.08 C ATOM 1126 CG MET A 72 13.137 -1.415 2.994 1.00 9.10 C ATOM 1127 SD MET A 72 12.199 -2.952 2.935 1.00 10.28 S ATOM 1128 CE MET A 72 10.777 -2.490 3.921 1.00 11.15 C ATOM 0 H MET A 72 14.940 -0.337 6.386 1.00 8.67 H new ATOM 0 HA MET A 72 14.887 0.498 3.656 1.00 8.32 H new ATOM 0 HB2 MET A 72 14.491 -1.834 4.598 1.00 9.08 H new ATOM 0 HB3 MET A 72 12.914 -1.274 5.118 1.00 9.08 H new ATOM 0 HG2 MET A 72 12.495 -0.590 2.684 1.00 9.10 H new ATOM 0 HG3 MET A 72 13.957 -1.467 2.278 1.00 9.10 H new ATOM 0 HE1 MET A 72 9.929 -3.120 3.654 1.00 11.15 H new ATOM 0 HE2 MET A 72 11.008 -2.623 4.978 1.00 11.15 H new ATOM 0 HE3 MET A 72 10.527 -1.446 3.732 1.00 11.15 H new ATOM 1138 N THR A 73 12.377 1.318 5.638 1.00 9.62 N ATOM 1139 CA THR A 73 11.242 2.212 5.814 1.00 10.09 C ATOM 1140 C THR A 73 11.690 3.673 5.914 1.00 9.53 C ATOM 1141 O THR A 73 10.991 4.586 5.464 1.00 9.49 O ATOM 1142 CB THR A 73 10.445 1.823 7.078 1.00 11.37 C ATOM 1143 OG1 THR A 73 9.989 0.470 6.958 1.00 12.02 O ATOM 1144 CG2 THR A 73 9.252 2.744 7.293 1.00 11.93 C ATOM 0 H THR A 73 12.556 0.711 6.438 1.00 9.62 H new ATOM 0 HA THR A 73 10.603 2.111 4.937 1.00 10.09 H new ATOM 0 HB THR A 73 11.107 1.922 7.938 1.00 11.37 H new ATOM 0 HG1 THR A 73 10.704 -0.142 7.233 1.00 12.02 H new ATOM 0 HG21 THR A 73 8.715 2.440 8.191 1.00 11.93 H new ATOM 0 HG22 THR A 73 9.601 3.770 7.408 1.00 11.93 H new ATOM 0 HG23 THR A 73 8.585 2.682 6.433 1.00 11.93 H new ATOM 1152 N ALA A 74 12.861 3.888 6.495 1.00 9.27 N ATOM 1153 CA ALA A 74 13.384 5.230 6.693 1.00 9.02 C ATOM 1154 C ALA A 74 13.816 5.867 5.378 1.00 8.01 C ATOM 1155 O ALA A 74 13.539 7.040 5.128 1.00 8.00 O ATOM 1156 CB ALA A 74 14.551 5.195 7.668 1.00 9.32 C ATOM 0 H ALA A 74 13.469 3.145 6.839 1.00 9.27 H new ATOM 0 HA ALA A 74 12.583 5.842 7.108 1.00 9.02 H new ATOM 0 HB1 ALA A 74 14.937 6.205 7.810 1.00 9.32 H new ATOM 0 HB2 ALA A 74 14.214 4.797 8.625 1.00 9.32 H new ATOM 0 HB3 ALA A 74 15.340 4.558 7.268 1.00 9.32 H new ATOM 1162 N CYS A 75 14.476 5.088 4.536 1.00 7.31 N ATOM 1163 CA CYS A 75 15.087 5.627 3.329 1.00 6.51 C ATOM 1164 C CYS A 75 14.236 5.392 2.081 1.00 6.63 C ATOM 1165 O CYS A 75 14.632 5.771 0.977 1.00 6.46 O ATOM 1166 CB CYS A 75 16.471 5.015 3.141 1.00 5.86 C ATOM 1167 SG CYS A 75 17.590 5.311 4.524 1.00 6.16 S ATOM 0 H CYS A 75 14.603 4.084 4.664 1.00 7.31 H new ATOM 0 HA CYS A 75 15.167 6.706 3.458 1.00 6.51 H new ATOM 0 HB2 CYS A 75 16.366 3.940 2.994 1.00 5.86 H new ATOM 0 HB3 CYS A 75 16.917 5.419 2.232 1.00 5.86 H new ATOM 0 HG CYS A 75 18.502 6.166 4.169 1.00 6.16 H new ATOM 1173 N GLN A 76 13.077 4.765 2.233 1.00 7.27 N ATOM 1174 CA GLN A 76 12.200 4.576 1.088 1.00 7.76 C ATOM 1175 C GLN A 76 11.390 5.842 0.841 1.00 8.19 C ATOM 1176 O GLN A 76 10.596 6.266 1.683 1.00 8.73 O ATOM 1177 CB GLN A 76 11.290 3.347 1.263 1.00 8.60 C ATOM 1178 CG GLN A 76 10.306 3.429 2.420 1.00 9.19 C ATOM 1179 CD GLN A 76 8.869 3.597 1.958 1.00 10.10 C ATOM 1180 OE1 GLN A 76 8.597 4.178 0.904 1.00 10.49 O ATOM 1181 NE2 GLN A 76 7.935 3.078 2.738 1.00 10.66 N ATOM 0 H GLN A 76 12.729 4.388 3.115 1.00 7.27 H new ATOM 0 HA GLN A 76 12.818 4.383 0.211 1.00 7.76 H new ATOM 0 HB2 GLN A 76 10.730 3.196 0.340 1.00 8.60 H new ATOM 0 HB3 GLN A 76 11.918 2.467 1.403 1.00 8.60 H new ATOM 0 HG2 GLN A 76 10.386 2.525 3.024 1.00 9.19 H new ATOM 0 HG3 GLN A 76 10.577 4.267 3.063 1.00 9.19 H new ATOM 0 HE21 GLN A 76 8.198 2.605 3.602 1.00 10.66 H new ATOM 0 HE22 GLN A 76 6.952 3.151 2.475 1.00 10.66 H new ATOM 1190 N GLY A 77 11.633 6.460 -0.310 1.00 8.13 N ATOM 1191 CA GLY A 77 10.934 7.673 -0.676 1.00 8.58 C ATOM 1192 C GLY A 77 11.088 8.776 0.355 1.00 8.30 C ATOM 1193 O GLY A 77 10.095 9.251 0.908 1.00 8.85 O ATOM 0 H GLY A 77 12.310 6.136 -1.001 1.00 8.13 H new ATOM 0 HA2 GLY A 77 11.308 8.026 -1.637 1.00 8.58 H new ATOM 0 HA3 GLY A 77 9.875 7.451 -0.808 1.00 8.58 H new ATOM 1197 N VAL A 78 12.332 9.177 0.625 1.00 7.65 N ATOM 1198 CA VAL A 78 12.594 10.266 1.564 1.00 7.69 C ATOM 1199 C VAL A 78 12.018 11.571 1.017 1.00 8.18 C ATOM 1200 O VAL A 78 12.636 12.237 0.186 1.00 8.24 O ATOM 1201 CB VAL A 78 14.108 10.448 1.843 1.00 7.30 C ATOM 1202 CG1 VAL A 78 14.336 11.499 2.923 1.00 7.56 C ATOM 1203 CG2 VAL A 78 14.751 9.129 2.244 1.00 7.23 C ATOM 0 H VAL A 78 13.168 8.766 0.209 1.00 7.65 H new ATOM 0 HA VAL A 78 12.111 10.006 2.506 1.00 7.69 H new ATOM 0 HB VAL A 78 14.578 10.791 0.921 1.00 7.30 H new ATOM 0 HG11 VAL A 78 15.405 11.610 3.103 1.00 7.56 H new ATOM 0 HG12 VAL A 78 13.922 12.453 2.596 1.00 7.56 H new ATOM 0 HG13 VAL A 78 13.844 11.187 3.844 1.00 7.56 H new ATOM 0 HG21 VAL A 78 15.813 9.285 2.434 1.00 7.23 H new ATOM 0 HG22 VAL A 78 14.272 8.751 3.147 1.00 7.23 H new ATOM 0 HG23 VAL A 78 14.629 8.405 1.438 1.00 7.23 H new ATOM 1213 N GLY A 79 10.819 11.912 1.475 1.00 8.79 N ATOM 1214 CA GLY A 79 10.113 13.059 0.935 1.00 9.46 C ATOM 1215 C GLY A 79 9.525 12.760 -0.431 1.00 9.86 C ATOM 1216 O GLY A 79 9.218 13.668 -1.203 1.00 10.49 O ATOM 0 H GLY A 79 10.322 11.413 2.213 1.00 8.79 H new ATOM 0 HA2 GLY A 79 9.316 13.351 1.619 1.00 9.46 H new ATOM 0 HA3 GLY A 79 10.796 13.905 0.861 1.00 9.46 H new ATOM 1220 N GLY A 80 9.369 11.474 -0.723 1.00 9.69 N ATOM 1221 CA GLY A 80 8.903 11.047 -2.027 1.00 10.31 C ATOM 1222 C GLY A 80 10.058 10.600 -2.904 1.00 10.42 C ATOM 1223 O GLY A 80 11.191 11.030 -2.686 1.00 10.24 O ATOM 0 H GLY A 80 9.560 10.713 -0.071 1.00 9.69 H new ATOM 0 HA2 GLY A 80 8.193 10.228 -1.912 1.00 10.31 H new ATOM 0 HA3 GLY A 80 8.371 11.865 -2.512 1.00 10.31 H new ATOM 1227 N PRO A 81 9.820 9.718 -3.888 1.00 10.92 N ATOM 1228 CA PRO A 81 10.869 9.259 -4.805 1.00 11.29 C ATOM 1229 C PRO A 81 11.448 10.408 -5.632 1.00 11.16 C ATOM 1230 O PRO A 81 12.605 10.795 -5.456 1.00 11.39 O ATOM 1231 CB PRO A 81 10.156 8.241 -5.708 1.00 12.10 C ATOM 1232 CG PRO A 81 8.908 7.874 -4.978 1.00 12.10 C ATOM 1233 CD PRO A 81 8.523 9.084 -4.176 1.00 11.39 C ATOM 0 HA PRO A 81 11.718 8.833 -4.271 1.00 11.29 H new ATOM 0 HB2 PRO A 81 9.929 8.671 -6.683 1.00 12.10 H new ATOM 0 HB3 PRO A 81 10.781 7.365 -5.884 1.00 12.10 H new ATOM 0 HG2 PRO A 81 8.116 7.600 -5.674 1.00 12.10 H new ATOM 0 HG3 PRO A 81 9.074 7.014 -4.330 1.00 12.10 H new ATOM 0 HD2 PRO A 81 7.865 9.748 -4.737 1.00 11.39 H new ATOM 0 HD3 PRO A 81 7.996 8.811 -3.262 1.00 11.39 H new ATOM 1241 N GLY A 82 10.625 10.979 -6.504 1.00 10.99 N ATOM 1242 CA GLY A 82 11.071 12.083 -7.331 1.00 11.07 C ATOM 1243 C GLY A 82 10.805 13.423 -6.681 1.00 10.54 C ATOM 1244 O GLY A 82 10.195 14.304 -7.283 1.00 10.90 O ATOM 0 H GLY A 82 9.656 10.696 -6.653 1.00 10.99 H new ATOM 0 HA2 GLY A 82 12.138 11.981 -7.527 1.00 11.07 H new ATOM 0 HA3 GLY A 82 10.565 12.041 -8.295 1.00 11.07 H new ATOM 1248 N HIS A 83 11.258 13.574 -5.444 1.00 9.87 N ATOM 1249 CA HIS A 83 11.045 14.806 -4.694 1.00 9.50 C ATOM 1250 C HIS A 83 11.806 15.974 -5.318 1.00 9.01 C ATOM 1251 O HIS A 83 12.987 15.861 -5.645 1.00 8.60 O ATOM 1252 CB HIS A 83 11.440 14.623 -3.215 1.00 9.28 C ATOM 1253 CG HIS A 83 12.840 14.125 -2.976 1.00 9.71 C ATOM 1254 ND1 HIS A 83 13.126 12.812 -2.680 1.00 9.88 N ATOM 1255 CD2 HIS A 83 14.027 14.776 -2.956 1.00 10.26 C ATOM 1256 CE1 HIS A 83 14.424 12.675 -2.489 1.00 10.48 C ATOM 1257 NE2 HIS A 83 14.995 13.852 -2.651 1.00 10.71 N ATOM 0 H HIS A 83 11.777 12.857 -4.937 1.00 9.87 H new ATOM 0 HA HIS A 83 9.981 15.041 -4.737 1.00 9.50 H new ATOM 0 HB2 HIS A 83 11.321 15.578 -2.704 1.00 9.28 H new ATOM 0 HB3 HIS A 83 10.741 13.925 -2.754 1.00 9.28 H new ATOM 0 HD1 HIS A 83 12.440 12.060 -2.618 1.00 9.88 H new ATOM 0 HD2 HIS A 83 14.183 15.828 -3.145 1.00 10.26 H new ATOM 0 HE1 HIS A 83 14.933 11.755 -2.242 1.00 10.48 H new ATOM 1266 N LYS A 84 11.112 17.098 -5.478 1.00 9.30 N ATOM 1267 CA LYS A 84 11.699 18.307 -6.056 1.00 9.11 C ATOM 1268 C LYS A 84 12.779 18.873 -5.139 1.00 8.52 C ATOM 1269 O LYS A 84 13.636 19.651 -5.563 1.00 8.22 O ATOM 1270 CB LYS A 84 10.606 19.354 -6.309 1.00 9.97 C ATOM 1271 CG LYS A 84 11.147 20.721 -6.703 1.00 10.46 C ATOM 1272 CD LYS A 84 10.038 21.677 -7.108 1.00 11.30 C ATOM 1273 CE LYS A 84 9.390 21.258 -8.418 1.00 11.85 C ATOM 1274 NZ LYS A 84 10.365 21.247 -9.538 1.00 12.21 N ATOM 0 H LYS A 84 10.132 17.198 -5.213 1.00 9.30 H new ATOM 0 HA LYS A 84 12.163 18.047 -7.007 1.00 9.11 H new ATOM 0 HB2 LYS A 84 9.946 18.993 -7.098 1.00 9.97 H new ATOM 0 HB3 LYS A 84 10.000 19.459 -5.409 1.00 9.97 H new ATOM 0 HG2 LYS A 84 11.704 21.145 -5.867 1.00 10.46 H new ATOM 0 HG3 LYS A 84 11.849 20.609 -7.530 1.00 10.46 H new ATOM 0 HD2 LYS A 84 9.283 21.713 -6.323 1.00 11.30 H new ATOM 0 HD3 LYS A 84 10.443 22.684 -7.207 1.00 11.30 H new ATOM 0 HE2 LYS A 84 8.954 20.265 -8.306 1.00 11.85 H new ATOM 0 HE3 LYS A 84 8.573 21.940 -8.654 1.00 11.85 H new ATOM 0 HZ1 LYS A 84 9.854 21.243 -10.444 1.00 12.21 H new ATOM 0 HZ2 LYS A 84 10.966 22.094 -9.484 1.00 12.21 H new ATOM 0 HZ3 LYS A 84 10.959 20.396 -9.472 1.00 12.21 H new ATOM 1288 N ALA A 85 12.738 18.446 -3.885 1.00 8.58 N ATOM 1289 CA ALA A 85 13.722 18.833 -2.882 1.00 8.36 C ATOM 1290 C ALA A 85 15.140 18.520 -3.343 1.00 7.63 C ATOM 1291 O ALA A 85 16.094 19.035 -2.784 1.00 7.43 O ATOM 1292 CB ALA A 85 13.435 18.142 -1.557 1.00 8.99 C ATOM 0 H ALA A 85 12.017 17.817 -3.532 1.00 8.58 H new ATOM 0 HA ALA A 85 13.644 19.911 -2.742 1.00 8.36 H new ATOM 0 HB1 ALA A 85 14.180 18.443 -0.821 1.00 8.99 H new ATOM 0 HB2 ALA A 85 12.443 18.426 -1.206 1.00 8.99 H new ATOM 0 HB3 ALA A 85 13.476 17.061 -1.694 1.00 8.99 H new ATOM 1298 N ARG A 86 15.267 17.654 -4.344 1.00 7.48 N ATOM 1299 CA ARG A 86 16.573 17.304 -4.910 1.00 7.14 C ATOM 1300 C ARG A 86 17.387 18.548 -5.262 1.00 6.68 C ATOM 1301 O ARG A 86 18.571 18.630 -4.935 1.00 6.49 O ATOM 1302 CB ARG A 86 16.404 16.439 -6.160 1.00 7.54 C ATOM 1303 CG ARG A 86 15.895 15.040 -5.873 1.00 7.94 C ATOM 1304 CD ARG A 86 15.631 14.273 -7.157 1.00 8.47 C ATOM 1305 NE ARG A 86 14.535 14.861 -7.926 1.00 9.09 N ATOM 1306 CZ ARG A 86 14.168 14.452 -9.141 1.00 9.85 C ATOM 1307 NH1 ARG A 86 14.834 13.483 -9.757 1.00 10.10 N ATOM 1308 NH2 ARG A 86 13.141 15.030 -9.746 1.00 10.56 N ATOM 0 H ARG A 86 14.480 17.178 -4.784 1.00 7.48 H new ATOM 0 HA ARG A 86 17.113 16.742 -4.148 1.00 7.14 H new ATOM 0 HB2 ARG A 86 15.713 16.934 -6.842 1.00 7.54 H new ATOM 0 HB3 ARG A 86 17.363 16.368 -6.674 1.00 7.54 H new ATOM 0 HG2 ARG A 86 16.626 14.502 -5.269 1.00 7.94 H new ATOM 0 HG3 ARG A 86 14.978 15.098 -5.287 1.00 7.94 H new ATOM 0 HD2 ARG A 86 16.536 14.260 -7.765 1.00 8.47 H new ATOM 0 HD3 ARG A 86 15.392 13.236 -6.919 1.00 8.47 H new ATOM 0 HE ARG A 86 14.018 15.634 -7.506 1.00 9.09 H new ATOM 0 HH11 ARG A 86 15.634 13.044 -9.301 1.00 10.10 H new ATOM 0 HH12 ARG A 86 14.546 13.177 -10.686 1.00 10.10 H new ATOM 0 HH21 ARG A 86 12.635 15.784 -9.282 1.00 10.56 H new ATOM 0 HH22 ARG A 86 12.857 14.721 -10.675 1.00 10.56 H new ATOM 1322 N VAL A 87 16.750 19.521 -5.904 1.00 6.80 N ATOM 1323 CA VAL A 87 17.447 20.732 -6.333 1.00 6.75 C ATOM 1324 C VAL A 87 17.804 21.601 -5.127 1.00 6.55 C ATOM 1325 O VAL A 87 18.805 22.324 -5.134 1.00 6.49 O ATOM 1326 CB VAL A 87 16.607 21.545 -7.351 1.00 7.42 C ATOM 1327 CG1 VAL A 87 15.328 22.077 -6.720 1.00 7.80 C ATOM 1328 CG2 VAL A 87 17.427 22.677 -7.949 1.00 7.90 C ATOM 0 H VAL A 87 15.758 19.497 -6.139 1.00 6.80 H new ATOM 0 HA VAL A 87 18.366 20.423 -6.831 1.00 6.75 H new ATOM 0 HB VAL A 87 16.321 20.868 -8.156 1.00 7.42 H new ATOM 0 HG11 VAL A 87 14.764 22.642 -7.462 1.00 7.80 H new ATOM 0 HG12 VAL A 87 14.724 21.243 -6.363 1.00 7.80 H new ATOM 0 HG13 VAL A 87 15.579 22.728 -5.882 1.00 7.80 H new ATOM 0 HG21 VAL A 87 16.816 23.233 -8.660 1.00 7.90 H new ATOM 0 HG22 VAL A 87 17.758 23.346 -7.154 1.00 7.90 H new ATOM 0 HG23 VAL A 87 18.296 22.265 -8.462 1.00 7.90 H new ATOM 1338 N LEU A 88 16.994 21.495 -4.084 1.00 6.74 N ATOM 1339 CA LEU A 88 17.222 22.230 -2.852 1.00 6.96 C ATOM 1340 C LEU A 88 18.316 21.559 -2.041 1.00 6.75 C ATOM 1341 O LEU A 88 19.252 22.207 -1.587 1.00 6.87 O ATOM 1342 CB LEU A 88 15.935 22.294 -2.029 1.00 7.72 C ATOM 1343 CG LEU A 88 14.755 22.976 -2.717 1.00 8.06 C ATOM 1344 CD1 LEU A 88 13.521 22.923 -1.834 1.00 8.65 C ATOM 1345 CD2 LEU A 88 15.103 24.415 -3.061 1.00 8.66 C ATOM 0 H LEU A 88 16.165 20.900 -4.069 1.00 6.74 H new ATOM 0 HA LEU A 88 17.533 23.244 -3.103 1.00 6.96 H new ATOM 0 HB2 LEU A 88 15.642 21.278 -1.763 1.00 7.72 H new ATOM 0 HB3 LEU A 88 16.145 22.819 -1.097 1.00 7.72 H new ATOM 0 HG LEU A 88 14.538 22.442 -3.642 1.00 8.06 H new ATOM 0 HD11 LEU A 88 12.690 23.414 -2.340 1.00 8.65 H new ATOM 0 HD12 LEU A 88 13.261 21.884 -1.634 1.00 8.65 H new ATOM 0 HD13 LEU A 88 13.725 23.434 -0.893 1.00 8.65 H new ATOM 0 HD21 LEU A 88 14.252 24.888 -3.551 1.00 8.66 H new ATOM 0 HD22 LEU A 88 15.345 24.959 -2.148 1.00 8.66 H new ATOM 0 HD23 LEU A 88 15.962 24.431 -3.731 1.00 8.66 H new ATOM 1357 N ALA A 89 18.193 20.247 -1.891 1.00 6.75 N ATOM 1358 CA ALA A 89 19.154 19.451 -1.142 1.00 6.99 C ATOM 1359 C ALA A 89 20.533 19.520 -1.784 1.00 6.71 C ATOM 1360 O ALA A 89 21.553 19.367 -1.112 1.00 7.11 O ATOM 1361 CB ALA A 89 18.687 18.008 -1.039 1.00 7.41 C ATOM 0 H ALA A 89 17.424 19.705 -2.285 1.00 6.75 H new ATOM 0 HA ALA A 89 19.226 19.864 -0.136 1.00 6.99 H new ATOM 0 HB1 ALA A 89 19.418 17.428 -0.476 1.00 7.41 H new ATOM 0 HB2 ALA A 89 17.725 17.973 -0.528 1.00 7.41 H new ATOM 0 HB3 ALA A 89 18.583 17.587 -2.039 1.00 7.41 H new ATOM 1367 N GLU A 90 20.550 19.761 -3.091 1.00 6.35 N ATOM 1368 CA GLU A 90 21.792 19.941 -3.824 1.00 6.46 C ATOM 1369 C GLU A 90 22.520 21.179 -3.293 1.00 6.45 C ATOM 1370 O GLU A 90 23.741 21.185 -3.154 1.00 6.84 O ATOM 1371 CB GLU A 90 21.480 20.065 -5.322 1.00 6.55 C ATOM 1372 CG GLU A 90 22.657 19.801 -6.253 1.00 7.09 C ATOM 1373 CD GLU A 90 23.557 21.003 -6.439 1.00 7.80 C ATOM 1374 OE1 GLU A 90 24.725 20.944 -6.000 1.00 8.05 O ATOM 1375 OE2 GLU A 90 23.096 22.017 -7.001 1.00 8.34 O ATOM 0 H GLU A 90 19.710 19.836 -3.665 1.00 6.35 H new ATOM 0 HA GLU A 90 22.447 19.081 -3.684 1.00 6.46 H new ATOM 0 HB2 GLU A 90 20.679 19.369 -5.569 1.00 6.55 H new ATOM 0 HB3 GLU A 90 21.101 21.069 -5.516 1.00 6.55 H new ATOM 0 HG2 GLU A 90 23.246 18.973 -5.857 1.00 7.09 H new ATOM 0 HG3 GLU A 90 22.278 19.486 -7.225 1.00 7.09 H new ATOM 1382 N ALA A 91 21.750 22.213 -2.967 1.00 6.32 N ATOM 1383 CA ALA A 91 22.300 23.427 -2.376 1.00 6.63 C ATOM 1384 C ALA A 91 22.462 23.260 -0.873 1.00 6.98 C ATOM 1385 O ALA A 91 23.307 23.898 -0.248 1.00 7.39 O ATOM 1386 CB ALA A 91 21.410 24.624 -2.683 1.00 6.88 C ATOM 0 H ALA A 91 20.739 22.233 -3.103 1.00 6.32 H new ATOM 0 HA ALA A 91 23.282 23.607 -2.814 1.00 6.63 H new ATOM 0 HB1 ALA A 91 21.838 25.520 -2.233 1.00 6.88 H new ATOM 0 HB2 ALA A 91 21.340 24.758 -3.762 1.00 6.88 H new ATOM 0 HB3 ALA A 91 20.415 24.452 -2.273 1.00 6.88 H new ATOM 1392 N MET A 92 21.644 22.394 -0.293 1.00 7.07 N ATOM 1393 CA MET A 92 21.715 22.120 1.138 1.00 7.77 C ATOM 1394 C MET A 92 23.000 21.387 1.484 1.00 8.07 C ATOM 1395 O MET A 92 23.428 21.393 2.631 1.00 8.75 O ATOM 1396 CB MET A 92 20.523 21.294 1.624 1.00 8.13 C ATOM 1397 CG MET A 92 19.184 22.005 1.518 1.00 8.95 C ATOM 1398 SD MET A 92 17.808 20.988 2.098 1.00 9.67 S ATOM 1399 CE MET A 92 18.234 20.782 3.827 1.00 10.32 C ATOM 0 H MET A 92 20.924 21.869 -0.789 1.00 7.07 H new ATOM 0 HA MET A 92 21.694 23.086 1.642 1.00 7.77 H new ATOM 0 HB2 MET A 92 20.477 20.370 1.047 1.00 8.13 H new ATOM 0 HB3 MET A 92 20.691 21.013 2.664 1.00 8.13 H new ATOM 0 HG2 MET A 92 19.219 22.927 2.099 1.00 8.95 H new ATOM 0 HG3 MET A 92 19.009 22.289 0.480 1.00 8.95 H new ATOM 0 HE1 MET A 92 17.352 20.464 4.384 1.00 10.32 H new ATOM 0 HE2 MET A 92 19.015 20.027 3.922 1.00 10.32 H new ATOM 0 HE3 MET A 92 18.594 21.729 4.228 1.00 10.32 H new ATOM 1409 N SER A 93 23.607 20.758 0.487 1.00 7.80 N ATOM 1410 CA SER A 93 24.829 19.990 0.690 1.00 8.38 C ATOM 1411 C SER A 93 25.924 20.850 1.328 1.00 8.44 C ATOM 1412 O SER A 93 26.701 20.371 2.151 1.00 9.14 O ATOM 1413 CB SER A 93 25.310 19.411 -0.641 1.00 8.44 C ATOM 1414 OG SER A 93 24.289 18.641 -1.261 1.00 8.68 O ATOM 0 H SER A 93 23.271 20.765 -0.476 1.00 7.80 H new ATOM 0 HA SER A 93 24.608 19.171 1.374 1.00 8.38 H new ATOM 0 HB2 SER A 93 25.614 20.220 -1.305 1.00 8.44 H new ATOM 0 HB3 SER A 93 26.189 18.789 -0.474 1.00 8.44 H new ATOM 0 HG SER A 93 23.412 19.010 -1.026 1.00 8.68 H new ATOM 1420 N GLN A 94 25.974 22.123 0.959 1.00 7.90 N ATOM 1421 CA GLN A 94 26.952 23.042 1.531 1.00 8.16 C ATOM 1422 C GLN A 94 26.449 23.650 2.833 1.00 8.55 C ATOM 1423 O GLN A 94 27.224 23.848 3.766 1.00 9.08 O ATOM 1424 CB GLN A 94 27.308 24.145 0.527 1.00 7.85 C ATOM 1425 CG GLN A 94 26.114 24.983 0.087 1.00 8.03 C ATOM 1426 CD GLN A 94 26.464 26.002 -0.977 1.00 8.38 C ATOM 1427 OE1 GLN A 94 26.823 27.139 -0.671 1.00 8.64 O ATOM 1428 NE2 GLN A 94 26.351 25.609 -2.234 1.00 8.68 N ATOM 0 H GLN A 94 25.352 22.543 0.269 1.00 7.90 H new ATOM 0 HA GLN A 94 27.852 22.470 1.755 1.00 8.16 H new ATOM 0 HB2 GLN A 94 28.056 24.801 0.972 1.00 7.85 H new ATOM 0 HB3 GLN A 94 27.765 23.690 -0.352 1.00 7.85 H new ATOM 0 HG2 GLN A 94 25.334 24.323 -0.293 1.00 8.03 H new ATOM 0 HG3 GLN A 94 25.700 25.499 0.954 1.00 8.03 H new ATOM 0 HE21 GLN A 94 26.050 24.658 -2.446 1.00 8.68 H new ATOM 0 HE22 GLN A 94 26.565 26.257 -2.992 1.00 8.68 H new ATOM 1437 N VAL A 95 25.154 23.933 2.910 1.00 8.52 N ATOM 1438 CA VAL A 95 24.600 24.579 4.097 1.00 9.16 C ATOM 1439 C VAL A 95 24.512 23.593 5.261 1.00 9.86 C ATOM 1440 O VAL A 95 24.467 23.998 6.413 1.00 10.49 O ATOM 1441 CB VAL A 95 23.205 25.202 3.841 1.00 9.36 C ATOM 1442 CG1 VAL A 95 23.186 25.974 2.530 1.00 9.64 C ATOM 1443 CG2 VAL A 95 22.107 24.150 3.877 1.00 9.49 C ATOM 0 H VAL A 95 24.475 23.729 2.177 1.00 8.52 H new ATOM 0 HA VAL A 95 25.284 25.389 4.352 1.00 9.16 H new ATOM 0 HB VAL A 95 23.005 25.906 4.649 1.00 9.36 H new ATOM 0 HG11 VAL A 95 22.196 26.401 2.374 1.00 9.64 H new ATOM 0 HG12 VAL A 95 23.925 26.775 2.568 1.00 9.64 H new ATOM 0 HG13 VAL A 95 23.424 25.300 1.707 1.00 9.64 H new ATOM 0 HG21 VAL A 95 21.143 24.624 3.693 1.00 9.49 H new ATOM 0 HG22 VAL A 95 22.295 23.401 3.108 1.00 9.49 H new ATOM 0 HG23 VAL A 95 22.095 23.670 4.856 1.00 9.49 H new ATOM 1453 N THR A 96 24.505 22.301 4.948 1.00 9.91 N ATOM 1454 CA THR A 96 24.372 21.263 5.961 1.00 10.78 C ATOM 1455 C THR A 96 25.711 20.986 6.655 1.00 11.00 C ATOM 1456 O THR A 96 25.859 19.992 7.368 1.00 11.80 O ATOM 1457 CB THR A 96 23.787 19.953 5.370 1.00 11.07 C ATOM 1458 OG1 THR A 96 23.291 19.112 6.423 1.00 10.84 O ATOM 1459 CG2 THR A 96 24.825 19.189 4.559 1.00 11.70 C ATOM 0 H THR A 96 24.590 21.948 3.995 1.00 9.91 H new ATOM 0 HA THR A 96 23.670 21.636 6.707 1.00 10.78 H new ATOM 0 HB THR A 96 22.970 20.231 4.704 1.00 11.07 H new ATOM 0 HG1 THR A 96 23.949 19.073 7.148 1.00 10.84 H new ATOM 0 HG21 THR A 96 24.378 18.278 4.162 1.00 11.70 H new ATOM 0 HG22 THR A 96 25.173 19.812 3.735 1.00 11.70 H new ATOM 0 HG23 THR A 96 25.668 18.930 5.199 1.00 11.70 H new ATOM 1467 N ASN A 97 26.691 21.864 6.425 1.00 10.45 N ATOM 1468 CA ASN A 97 27.964 21.808 7.143 1.00 10.82 C ATOM 1469 C ASN A 97 27.720 21.660 8.648 1.00 10.83 C ATOM 1470 O ASN A 97 26.713 22.139 9.170 1.00 10.47 O ATOM 1471 CB ASN A 97 28.776 23.077 6.867 1.00 10.70 C ATOM 1472 CG ASN A 97 29.923 22.844 5.904 1.00 11.05 C ATOM 1473 OD1 ASN A 97 31.035 22.514 6.313 1.00 11.34 O ATOM 1474 ND2 ASN A 97 29.673 23.030 4.617 1.00 11.26 N ATOM 0 H ASN A 97 26.626 22.622 5.746 1.00 10.45 H new ATOM 0 HA ASN A 97 28.526 20.942 6.793 1.00 10.82 H new ATOM 0 HB2 ASN A 97 28.116 23.843 6.460 1.00 10.70 H new ATOM 0 HB3 ASN A 97 29.170 23.462 7.807 1.00 10.70 H new ATOM 0 HD21 ASN A 97 30.415 22.900 3.929 1.00 11.26 H new ATOM 0 HD22 ASN A 97 28.738 23.304 4.313 1.00 11.26 H new ATOM 1481 N PRO A 98 28.650 20.990 9.361 1.00 11.40 N ATOM 1482 CA PRO A 98 28.460 20.553 10.759 1.00 11.59 C ATOM 1483 C PRO A 98 28.060 21.658 11.736 1.00 11.38 C ATOM 1484 O PRO A 98 27.613 21.371 12.847 1.00 11.57 O ATOM 1485 CB PRO A 98 29.823 19.966 11.155 1.00 12.45 C ATOM 1486 CG PRO A 98 30.775 20.435 10.109 1.00 12.70 C ATOM 1487 CD PRO A 98 29.968 20.587 8.855 1.00 12.08 C ATOM 0 HA PRO A 98 27.628 19.851 10.813 1.00 11.59 H new ATOM 0 HB2 PRO A 98 30.126 20.309 12.144 1.00 12.45 H new ATOM 0 HB3 PRO A 98 29.786 18.877 11.193 1.00 12.45 H new ATOM 0 HG2 PRO A 98 31.234 21.381 10.395 1.00 12.70 H new ATOM 0 HG3 PRO A 98 31.584 19.718 9.968 1.00 12.70 H new ATOM 0 HD2 PRO A 98 30.393 21.339 8.190 1.00 12.08 H new ATOM 0 HD3 PRO A 98 29.917 19.655 8.292 1.00 12.08 H new ATOM 1495 N ALA A 99 28.203 22.908 11.338 1.00 11.13 N ATOM 1496 CA ALA A 99 27.769 24.010 12.180 1.00 11.14 C ATOM 1497 C ALA A 99 26.248 24.140 12.137 1.00 10.78 C ATOM 1498 O ALA A 99 25.613 24.529 13.116 1.00 10.91 O ATOM 1499 CB ALA A 99 28.430 25.308 11.744 1.00 11.25 C ATOM 0 H ALA A 99 28.612 23.186 10.446 1.00 11.13 H new ATOM 0 HA ALA A 99 28.070 23.803 13.207 1.00 11.14 H new ATOM 0 HB1 ALA A 99 28.093 26.122 12.386 1.00 11.25 H new ATOM 0 HB2 ALA A 99 29.513 25.209 11.822 1.00 11.25 H new ATOM 0 HB3 ALA A 99 28.159 25.525 10.711 1.00 11.25 H new ATOM 1505 N THR A 100 25.672 23.782 10.999 1.00 10.51 N ATOM 1506 CA THR A 100 24.252 23.954 10.763 1.00 10.39 C ATOM 1507 C THR A 100 23.453 22.749 11.249 1.00 10.51 C ATOM 1508 O THR A 100 22.274 22.874 11.581 1.00 10.58 O ATOM 1509 CB THR A 100 23.971 24.189 9.273 1.00 10.40 C ATOM 1510 OG1 THR A 100 24.897 25.153 8.756 1.00 10.60 O ATOM 1511 CG2 THR A 100 22.548 24.687 9.051 1.00 10.63 C ATOM 0 H THR A 100 26.177 23.365 10.217 1.00 10.51 H new ATOM 0 HA THR A 100 23.936 24.829 11.330 1.00 10.39 H new ATOM 0 HB THR A 100 24.088 23.239 8.751 1.00 10.40 H new ATOM 0 HG1 THR A 100 24.994 25.027 7.789 1.00 10.60 H new ATOM 0 HG21 THR A 100 22.380 24.844 7.986 1.00 10.63 H new ATOM 0 HG22 THR A 100 21.841 23.946 9.425 1.00 10.63 H new ATOM 0 HG23 THR A 100 22.404 25.627 9.584 1.00 10.63 H new ATOM 1519 N ILE A 101 24.091 21.579 11.300 1.00 10.71 N ATOM 1520 CA ILE A 101 23.403 20.364 11.747 1.00 11.06 C ATOM 1521 C ILE A 101 22.931 20.520 13.187 1.00 11.17 C ATOM 1522 O ILE A 101 21.976 19.871 13.617 1.00 11.41 O ATOM 1523 CB ILE A 101 24.286 19.099 11.629 1.00 11.57 C ATOM 1524 CG1 ILE A 101 25.492 19.178 12.570 1.00 11.88 C ATOM 1525 CG2 ILE A 101 24.741 18.909 10.190 1.00 11.78 C ATOM 1526 CD1 ILE A 101 26.351 17.931 12.570 1.00 12.53 C ATOM 0 H ILE A 101 25.069 21.446 11.042 1.00 10.71 H new ATOM 0 HA ILE A 101 22.547 20.231 11.086 1.00 11.06 H new ATOM 0 HB ILE A 101 23.688 18.237 11.925 1.00 11.57 H new ATOM 0 HG12 ILE A 101 26.107 20.032 12.286 1.00 11.88 H new ATOM 0 HG13 ILE A 101 25.138 19.364 13.584 1.00 11.88 H new ATOM 0 HG21 ILE A 101 25.362 18.016 10.120 1.00 11.78 H new ATOM 0 HG22 ILE A 101 23.870 18.797 9.545 1.00 11.78 H new ATOM 0 HG23 ILE A 101 25.318 19.778 9.873 1.00 11.78 H new ATOM 0 HD11 ILE A 101 27.184 18.063 13.260 1.00 12.53 H new ATOM 0 HD12 ILE A 101 25.752 17.076 12.884 1.00 12.53 H new ATOM 0 HD13 ILE A 101 26.736 17.754 11.566 1.00 12.53 H new ATOM 1538 N MET A 102 23.595 21.409 13.913 1.00 11.16 N ATOM 1539 CA MET A 102 23.216 21.732 15.278 1.00 11.48 C ATOM 1540 C MET A 102 21.882 22.470 15.288 1.00 11.29 C ATOM 1541 O MET A 102 21.119 22.385 16.249 1.00 11.61 O ATOM 1542 CB MET A 102 24.300 22.589 15.933 1.00 11.78 C ATOM 1543 CG MET A 102 25.671 21.930 15.925 1.00 12.25 C ATOM 1544 SD MET A 102 26.958 22.985 16.618 1.00 12.74 S ATOM 1545 CE MET A 102 28.401 21.955 16.355 1.00 13.25 C ATOM 0 H MET A 102 24.407 21.923 13.573 1.00 11.16 H new ATOM 0 HA MET A 102 23.110 20.807 15.845 1.00 11.48 H new ATOM 0 HB2 MET A 102 24.361 23.546 15.414 1.00 11.78 H new ATOM 0 HB3 MET A 102 24.013 22.803 16.963 1.00 11.78 H new ATOM 0 HG2 MET A 102 25.625 21.000 16.492 1.00 12.25 H new ATOM 0 HG3 MET A 102 25.936 21.666 14.901 1.00 12.25 H new ATOM 0 HE1 MET A 102 29.287 22.467 16.731 1.00 13.25 H new ATOM 0 HE2 MET A 102 28.275 21.011 16.884 1.00 13.25 H new ATOM 0 HE3 MET A 102 28.520 21.760 15.289 1.00 13.25 H new ATOM 1555 N ILE A 103 21.603 23.180 14.203 1.00 10.93 N ATOM 1556 CA ILE A 103 20.343 23.899 14.054 1.00 10.95 C ATOM 1557 C ILE A 103 19.268 22.961 13.509 1.00 10.91 C ATOM 1558 O ILE A 103 18.096 23.048 13.879 1.00 11.12 O ATOM 1559 CB ILE A 103 20.498 25.107 13.100 1.00 10.89 C ATOM 1560 CG1 ILE A 103 21.659 25.996 13.556 1.00 11.10 C ATOM 1561 CG2 ILE A 103 19.204 25.910 13.031 1.00 11.06 C ATOM 1562 CD1 ILE A 103 21.962 27.139 12.607 1.00 11.41 C ATOM 0 H ILE A 103 22.236 23.274 13.409 1.00 10.93 H new ATOM 0 HA ILE A 103 20.049 24.267 15.037 1.00 10.95 H new ATOM 0 HB ILE A 103 20.718 24.732 12.100 1.00 10.89 H new ATOM 0 HG12 ILE A 103 21.427 26.404 14.540 1.00 11.10 H new ATOM 0 HG13 ILE A 103 22.553 25.382 13.668 1.00 11.10 H new ATOM 0 HG21 ILE A 103 19.336 26.755 12.355 1.00 11.06 H new ATOM 0 HG22 ILE A 103 18.400 25.273 12.664 1.00 11.06 H new ATOM 0 HG23 ILE A 103 18.950 26.278 14.025 1.00 11.06 H new ATOM 0 HD11 ILE A 103 22.795 27.724 12.996 1.00 11.41 H new ATOM 0 HD12 ILE A 103 22.226 26.739 11.628 1.00 11.41 H new ATOM 0 HD13 ILE A 103 21.083 27.777 12.513 1.00 11.41 H new ATOM 1574 N GLN A 104 19.690 22.045 12.641 1.00 10.83 N ATOM 1575 CA GLN A 104 18.780 21.093 12.011 1.00 11.03 C ATOM 1576 C GLN A 104 18.134 20.171 13.043 1.00 11.28 C ATOM 1577 O GLN A 104 17.069 19.606 12.794 1.00 11.50 O ATOM 1578 CB GLN A 104 19.511 20.256 10.961 1.00 11.19 C ATOM 1579 CG GLN A 104 20.086 21.072 9.814 1.00 11.48 C ATOM 1580 CD GLN A 104 20.773 20.213 8.769 1.00 11.71 C ATOM 1581 OE1 GLN A 104 20.279 18.998 8.575 1.00 11.93 O flip ATOM 1582 NE2 GLN A 104 21.734 20.640 8.132 1.00 11.88 N flip ATOM 0 H GLN A 104 20.664 21.942 12.356 1.00 10.83 H new ATOM 0 HA GLN A 104 17.994 21.671 11.524 1.00 11.03 H new ATOM 0 HB2 GLN A 104 20.319 19.708 11.445 1.00 11.19 H new ATOM 0 HB3 GLN A 104 18.821 19.515 10.557 1.00 11.19 H new ATOM 0 HG2 GLN A 104 19.285 21.641 9.341 1.00 11.48 H new ATOM 0 HG3 GLN A 104 20.799 21.795 10.210 1.00 11.48 H new ATOM 0 HE21 GLN A 104 22.086 21.581 8.309 1.00 11.88 H new ATOM 0 HE22 GLN A 104 22.179 20.054 7.426 1.00 11.88 H new ATOM 1591 N LYS A 105 18.778 20.029 14.197 1.00 11.41 N ATOM 1592 CA LYS A 105 18.236 19.216 15.280 1.00 11.86 C ATOM 1593 C LYS A 105 16.867 19.746 15.707 1.00 11.85 C ATOM 1594 O LYS A 105 15.935 18.977 15.937 1.00 12.20 O ATOM 1595 CB LYS A 105 19.199 19.202 16.473 1.00 12.25 C ATOM 1596 CG LYS A 105 18.687 18.400 17.663 1.00 12.76 C ATOM 1597 CD LYS A 105 19.686 18.380 18.811 1.00 13.39 C ATOM 1598 CE LYS A 105 20.948 17.603 18.456 1.00 14.09 C ATOM 1599 NZ LYS A 105 20.659 16.175 18.160 1.00 14.37 N ATOM 0 H LYS A 105 19.675 20.466 14.406 1.00 11.41 H new ATOM 0 HA LYS A 105 18.117 18.194 14.920 1.00 11.86 H new ATOM 0 HB2 LYS A 105 20.155 18.789 16.152 1.00 12.25 H new ATOM 0 HB3 LYS A 105 19.385 20.228 16.790 1.00 12.25 H new ATOM 0 HG2 LYS A 105 17.746 18.827 18.009 1.00 12.76 H new ATOM 0 HG3 LYS A 105 18.477 17.378 17.348 1.00 12.76 H new ATOM 0 HD2 LYS A 105 19.953 19.403 19.077 1.00 13.39 H new ATOM 0 HD3 LYS A 105 19.220 17.933 19.689 1.00 13.39 H new ATOM 0 HE2 LYS A 105 21.425 18.063 17.591 1.00 14.09 H new ATOM 0 HE3 LYS A 105 21.657 17.666 19.282 1.00 14.09 H new ATOM 0 HZ1 LYS A 105 21.543 15.628 18.191 1.00 14.37 H new ATOM 0 HZ2 LYS A 105 19.996 15.801 18.868 1.00 14.37 H new ATOM 0 HZ3 LYS A 105 20.236 16.095 17.213 1.00 14.37 H new ATOM 1613 N GLY A 106 16.751 21.064 15.799 1.00 11.60 N ATOM 1614 CA GLY A 106 15.483 21.677 16.137 1.00 11.77 C ATOM 1615 C GLY A 106 14.578 21.799 14.928 1.00 11.76 C ATOM 1616 O GLY A 106 13.357 21.895 15.062 1.00 12.03 O ATOM 0 H GLY A 106 17.516 21.721 15.645 1.00 11.60 H new ATOM 0 HA2 GLY A 106 14.986 21.084 16.905 1.00 11.77 H new ATOM 0 HA3 GLY A 106 15.659 22.666 16.561 1.00 11.77 H new ATOM 1620 N ASN A 107 15.180 21.784 13.746 1.00 11.60 N ATOM 1621 CA ASN A 107 14.434 21.891 12.495 1.00 11.78 C ATOM 1622 C ASN A 107 13.661 20.603 12.224 1.00 12.07 C ATOM 1623 O ASN A 107 12.656 20.605 11.513 1.00 12.33 O ATOM 1624 CB ASN A 107 15.386 22.189 11.330 1.00 11.85 C ATOM 1625 CG ASN A 107 14.665 22.476 10.021 1.00 11.96 C ATOM 1626 OD1 ASN A 107 13.527 23.151 10.096 1.00 11.97 O flip ATOM 1627 ND2 ASN A 107 15.144 22.119 8.945 1.00 12.28 N flip ATOM 0 H ASN A 107 16.189 21.698 13.625 1.00 11.60 H new ATOM 0 HA ASN A 107 13.724 22.713 12.587 1.00 11.78 H new ATOM 0 HB2 ASN A 107 16.009 23.045 11.589 1.00 11.85 H new ATOM 0 HB3 ASN A 107 16.054 21.339 11.190 1.00 11.85 H new ATOM 0 HD21 ASN A 107 16.022 21.601 8.925 1.00 12.28 H new ATOM 0 HD22 ASN A 107 14.663 22.341 8.074 1.00 12.28 H new ATOM 1634 N PHE A 108 14.132 19.505 12.810 1.00 12.19 N ATOM 1635 CA PHE A 108 13.474 18.206 12.673 1.00 12.69 C ATOM 1636 C PHE A 108 12.063 18.248 13.256 1.00 12.92 C ATOM 1637 O PHE A 108 11.189 17.473 12.863 1.00 13.36 O ATOM 1638 CB PHE A 108 14.302 17.120 13.371 1.00 13.02 C ATOM 1639 CG PHE A 108 13.779 15.724 13.167 1.00 13.41 C ATOM 1640 CD1 PHE A 108 14.121 15.004 12.034 1.00 13.60 C ATOM 1641 CD2 PHE A 108 12.950 15.130 14.106 1.00 13.76 C ATOM 1642 CE1 PHE A 108 13.648 13.720 11.840 1.00 14.16 C ATOM 1643 CE2 PHE A 108 12.472 13.848 13.919 1.00 14.30 C ATOM 1644 CZ PHE A 108 12.821 13.141 12.784 1.00 14.51 C ATOM 0 H PHE A 108 14.972 19.488 13.388 1.00 12.19 H new ATOM 0 HA PHE A 108 13.399 17.969 11.612 1.00 12.69 H new ATOM 0 HB2 PHE A 108 15.328 17.169 13.006 1.00 13.02 H new ATOM 0 HB3 PHE A 108 14.333 17.332 14.440 1.00 13.02 H new ATOM 0 HD1 PHE A 108 14.766 15.452 11.292 1.00 13.60 H new ATOM 0 HD2 PHE A 108 12.674 15.677 14.995 1.00 13.76 H new ATOM 0 HE1 PHE A 108 13.924 13.170 10.952 1.00 14.16 H new ATOM 0 HE2 PHE A 108 11.826 13.398 14.659 1.00 14.30 H new ATOM 0 HZ PHE A 108 12.448 12.138 12.635 1.00 14.51 H new ATOM 1654 N ARG A 109 11.840 19.171 14.183 1.00 12.75 N ATOM 1655 CA ARG A 109 10.537 19.319 14.812 1.00 13.13 C ATOM 1656 C ARG A 109 9.537 19.959 13.854 1.00 13.11 C ATOM 1657 O ARG A 109 8.325 19.873 14.064 1.00 13.55 O ATOM 1658 CB ARG A 109 10.641 20.159 16.084 1.00 13.21 C ATOM 1659 CG ARG A 109 11.487 19.518 17.169 1.00 13.63 C ATOM 1660 CD ARG A 109 11.531 20.382 18.416 1.00 13.95 C ATOM 1661 NE ARG A 109 12.245 19.736 19.515 1.00 14.26 N ATOM 1662 CZ ARG A 109 12.444 20.302 20.703 1.00 14.71 C ATOM 1663 NH1 ARG A 109 11.976 21.520 20.948 1.00 14.89 N ATOM 1664 NH2 ARG A 109 13.100 19.645 21.652 1.00 15.12 N ATOM 0 H ARG A 109 12.546 19.828 14.515 1.00 12.75 H new ATOM 0 HA ARG A 109 10.183 18.322 15.074 1.00 13.13 H new ATOM 0 HB2 ARG A 109 11.063 21.132 15.833 1.00 13.21 H new ATOM 0 HB3 ARG A 109 9.639 20.337 16.474 1.00 13.21 H new ATOM 0 HG2 ARG A 109 11.081 18.537 17.418 1.00 13.63 H new ATOM 0 HG3 ARG A 109 12.500 19.360 16.798 1.00 13.63 H new ATOM 0 HD2 ARG A 109 12.013 21.331 18.181 1.00 13.95 H new ATOM 0 HD3 ARG A 109 10.513 20.611 18.732 1.00 13.95 H new ATOM 0 HE ARG A 109 12.612 18.797 19.363 1.00 14.26 H new ATOM 0 HH11 ARG A 109 11.463 22.024 20.225 1.00 14.89 H new ATOM 0 HH12 ARG A 109 12.130 21.952 21.859 1.00 14.89 H new ATOM 0 HH21 ARG A 109 13.452 18.705 21.471 1.00 15.12 H new ATOM 0 HH22 ARG A 109 13.252 20.080 22.562 1.00 15.12 H new ATOM 1678 N ASN A 110 10.062 20.595 12.804 1.00 12.73 N ATOM 1679 CA ASN A 110 9.238 21.266 11.795 1.00 12.86 C ATOM 1680 C ASN A 110 8.340 22.319 12.440 1.00 12.47 C ATOM 1681 O ASN A 110 8.645 22.820 13.523 1.00 12.44 O ATOM 1682 CB ASN A 110 8.393 20.247 11.017 1.00 13.08 C ATOM 1683 CG ASN A 110 9.209 19.397 10.063 1.00 13.55 C ATOM 1684 OD1 ASN A 110 9.360 19.735 8.889 1.00 13.74 O ATOM 1685 ND2 ASN A 110 9.745 18.291 10.553 1.00 13.93 N ATOM 0 H ASN A 110 11.065 20.660 12.629 1.00 12.73 H new ATOM 0 HA ASN A 110 9.906 21.767 11.094 1.00 12.86 H new ATOM 0 HB2 ASN A 110 7.879 19.596 11.724 1.00 13.08 H new ATOM 0 HB3 ASN A 110 7.624 20.777 10.454 1.00 13.08 H new ATOM 0 HD21 ASN A 110 10.305 17.686 9.952 1.00 13.93 H new ATOM 0 HD22 ASN A 110 9.598 18.043 11.531 1.00 13.93 H new ATOM 1692 N GLN A 111 7.253 22.672 11.770 1.00 12.38 N ATOM 1693 CA GLN A 111 6.289 23.603 12.336 1.00 12.20 C ATOM 1694 C GLN A 111 5.274 22.837 13.176 1.00 11.61 C ATOM 1695 O GLN A 111 4.869 23.284 14.248 1.00 11.50 O ATOM 1696 CB GLN A 111 5.554 24.392 11.243 1.00 12.57 C ATOM 1697 CG GLN A 111 6.421 25.359 10.444 1.00 13.05 C ATOM 1698 CD GLN A 111 7.388 24.668 9.501 1.00 13.63 C ATOM 1699 OE1 GLN A 111 7.043 24.343 8.366 1.00 13.90 O ATOM 1700 NE2 GLN A 111 8.614 24.466 9.950 1.00 14.01 N ATOM 0 H GLN A 111 7.017 22.330 10.838 1.00 12.38 H new ATOM 0 HA GLN A 111 6.834 24.314 12.957 1.00 12.20 H new ATOM 0 HB2 GLN A 111 5.096 23.684 10.552 1.00 12.57 H new ATOM 0 HB3 GLN A 111 4.743 24.954 11.706 1.00 12.57 H new ATOM 0 HG2 GLN A 111 5.776 26.022 9.868 1.00 13.05 H new ATOM 0 HG3 GLN A 111 6.985 25.985 11.135 1.00 13.05 H new ATOM 0 HE21 GLN A 111 8.863 24.749 10.898 1.00 14.01 H new ATOM 0 HE22 GLN A 111 9.311 24.027 9.349 1.00 14.01 H new ATOM 1709 N ARG A 112 4.880 21.673 12.677 1.00 11.45 N ATOM 1710 CA ARG A 112 3.879 20.853 13.339 1.00 11.12 C ATOM 1711 C ARG A 112 4.057 19.380 12.974 1.00 10.61 C ATOM 1712 O ARG A 112 3.163 18.758 12.402 1.00 10.60 O ATOM 1713 CB ARG A 112 2.474 21.340 12.962 1.00 11.41 C ATOM 1714 CG ARG A 112 2.259 21.485 11.461 1.00 11.96 C ATOM 1715 CD ARG A 112 0.889 22.054 11.141 1.00 12.50 C ATOM 1716 NE ARG A 112 0.702 22.255 9.704 1.00 13.09 N ATOM 1717 CZ ARG A 112 -0.098 23.183 9.178 1.00 13.79 C ATOM 1718 NH1 ARG A 112 -0.813 23.978 9.963 1.00 14.01 N ATOM 1719 NH2 ARG A 112 -0.190 23.310 7.863 1.00 14.43 N ATOM 0 H ARG A 112 5.242 21.275 11.810 1.00 11.45 H new ATOM 0 HA ARG A 112 4.006 20.948 14.417 1.00 11.12 H new ATOM 0 HB2 ARG A 112 1.738 20.641 13.360 1.00 11.41 H new ATOM 0 HB3 ARG A 112 2.292 22.302 13.441 1.00 11.41 H new ATOM 0 HG2 ARG A 112 3.029 22.135 11.044 1.00 11.96 H new ATOM 0 HG3 ARG A 112 2.370 20.512 10.982 1.00 11.96 H new ATOM 0 HD2 ARG A 112 0.119 21.379 11.516 1.00 12.50 H new ATOM 0 HD3 ARG A 112 0.761 23.004 11.660 1.00 12.50 H new ATOM 0 HE ARG A 112 1.215 21.648 9.065 1.00 13.09 H new ATOM 0 HH11 ARG A 112 -0.753 23.882 10.977 1.00 14.01 H new ATOM 0 HH12 ARG A 112 -1.423 24.686 9.553 1.00 14.01 H new ATOM 0 HH21 ARG A 112 0.351 22.698 7.252 1.00 14.43 H new ATOM 0 HH22 ARG A 112 -0.802 24.020 7.461 1.00 14.43 H new ATOM 1733 N LYS A 113 5.219 18.825 13.303 1.00 10.40 N ATOM 1734 CA LYS A 113 5.496 17.424 13.020 1.00 10.14 C ATOM 1735 C LYS A 113 4.773 16.529 14.026 1.00 9.74 C ATOM 1736 O LYS A 113 3.688 16.025 13.754 1.00 9.59 O ATOM 1737 CB LYS A 113 7.005 17.153 13.053 1.00 10.36 C ATOM 1738 CG LYS A 113 7.385 15.770 12.560 1.00 10.98 C ATOM 1739 CD LYS A 113 7.147 15.632 11.068 1.00 11.43 C ATOM 1740 CE LYS A 113 7.290 14.194 10.618 1.00 11.95 C ATOM 1741 NZ LYS A 113 7.120 14.052 9.150 1.00 12.41 N ATOM 0 H LYS A 113 5.980 19.323 13.764 1.00 10.40 H new ATOM 0 HA LYS A 113 5.129 17.195 12.020 1.00 10.14 H new ATOM 0 HB2 LYS A 113 7.513 17.899 12.442 1.00 10.36 H new ATOM 0 HB3 LYS A 113 7.366 17.277 14.074 1.00 10.36 H new ATOM 0 HG2 LYS A 113 8.435 15.578 12.782 1.00 10.98 H new ATOM 0 HG3 LYS A 113 6.803 15.019 13.094 1.00 10.98 H new ATOM 0 HD2 LYS A 113 6.149 15.995 10.822 1.00 11.43 H new ATOM 0 HD3 LYS A 113 7.856 16.257 10.525 1.00 11.43 H new ATOM 0 HE2 LYS A 113 8.272 13.819 10.907 1.00 11.95 H new ATOM 0 HE3 LYS A 113 6.550 13.578 11.130 1.00 11.95 H new ATOM 0 HZ1 LYS A 113 7.225 13.052 8.883 1.00 12.41 H new ATOM 0 HZ2 LYS A 113 6.174 14.385 8.876 1.00 12.41 H new ATOM 0 HZ3 LYS A 113 7.842 14.619 8.661 1.00 12.41 H new ATOM 1755 N THR A 114 5.373 16.348 15.190 1.00 9.83 N ATOM 1756 CA THR A 114 4.770 15.554 16.248 1.00 9.78 C ATOM 1757 C THR A 114 3.845 16.428 17.096 1.00 9.62 C ATOM 1758 O THR A 114 2.987 15.936 17.831 1.00 9.64 O ATOM 1759 CB THR A 114 5.862 14.914 17.129 1.00 10.31 C ATOM 1760 OG1 THR A 114 6.808 14.223 16.298 1.00 10.49 O ATOM 1761 CG2 THR A 114 5.266 13.932 18.125 1.00 10.80 C ATOM 0 H THR A 114 6.283 16.743 15.428 1.00 9.83 H new ATOM 0 HA THR A 114 4.181 14.756 15.796 1.00 9.78 H new ATOM 0 HB THR A 114 6.357 15.712 17.683 1.00 10.31 H new ATOM 0 HG1 THR A 114 7.502 13.818 16.859 1.00 10.49 H new ATOM 0 HG21 THR A 114 6.063 13.499 18.730 1.00 10.80 H new ATOM 0 HG22 THR A 114 4.561 14.453 18.772 1.00 10.80 H new ATOM 0 HG23 THR A 114 4.747 13.139 17.587 1.00 10.80 H new ATOM 1769 N VAL A 115 4.013 17.734 16.959 1.00 9.74 N ATOM 1770 CA VAL A 115 3.248 18.699 17.734 1.00 9.92 C ATOM 1771 C VAL A 115 1.982 19.135 16.976 1.00 9.30 C ATOM 1772 O VAL A 115 1.454 20.222 17.189 1.00 9.52 O ATOM 1773 CB VAL A 115 4.123 19.923 18.117 1.00 10.85 C ATOM 1774 CG1 VAL A 115 4.413 20.804 16.909 1.00 11.22 C ATOM 1775 CG2 VAL A 115 3.483 20.726 19.243 1.00 11.44 C ATOM 0 H VAL A 115 4.680 18.154 16.311 1.00 9.74 H new ATOM 0 HA VAL A 115 2.932 18.214 18.658 1.00 9.92 H new ATOM 0 HB VAL A 115 5.078 19.541 18.479 1.00 10.85 H new ATOM 0 HG11 VAL A 115 5.028 21.651 17.215 1.00 11.22 H new ATOM 0 HG12 VAL A 115 4.944 20.224 16.155 1.00 11.22 H new ATOM 0 HG13 VAL A 115 3.475 21.169 16.491 1.00 11.22 H new ATOM 0 HG21 VAL A 115 4.118 21.577 19.490 1.00 11.44 H new ATOM 0 HG22 VAL A 115 2.504 21.084 18.924 1.00 11.44 H new ATOM 0 HG23 VAL A 115 3.368 20.092 20.122 1.00 11.44 H new ATOM 1785 N LYS A 116 1.517 18.300 16.053 1.00 8.75 N ATOM 1786 CA LYS A 116 0.293 18.607 15.319 1.00 8.35 C ATOM 1787 C LYS A 116 -0.940 18.047 16.035 1.00 7.64 C ATOM 1788 O LYS A 116 -1.006 16.860 16.370 1.00 7.40 O ATOM 1789 CB LYS A 116 0.362 18.095 13.871 1.00 8.50 C ATOM 1790 CG LYS A 116 0.599 16.599 13.731 1.00 9.04 C ATOM 1791 CD LYS A 116 0.542 16.174 12.269 1.00 9.56 C ATOM 1792 CE LYS A 116 0.771 14.680 12.097 1.00 10.24 C ATOM 1793 NZ LYS A 116 2.181 14.285 12.356 1.00 10.72 N ATOM 0 H LYS A 116 1.961 17.418 15.797 1.00 8.75 H new ATOM 0 HA LYS A 116 0.199 19.692 15.285 1.00 8.35 H new ATOM 0 HB2 LYS A 116 -0.570 18.349 13.366 1.00 8.50 H new ATOM 0 HB3 LYS A 116 1.160 18.625 13.351 1.00 8.50 H new ATOM 0 HG2 LYS A 116 1.571 16.340 14.152 1.00 9.04 H new ATOM 0 HG3 LYS A 116 -0.152 16.053 14.302 1.00 9.04 H new ATOM 0 HD2 LYS A 116 -0.429 16.442 11.852 1.00 9.56 H new ATOM 0 HD3 LYS A 116 1.294 16.723 11.703 1.00 9.56 H new ATOM 0 HE2 LYS A 116 0.114 14.135 12.775 1.00 10.24 H new ATOM 0 HE3 LYS A 116 0.496 14.388 11.083 1.00 10.24 H new ATOM 0 HZ1 LYS A 116 2.653 14.071 11.454 1.00 10.72 H new ATOM 0 HZ2 LYS A 116 2.678 15.065 12.831 1.00 10.72 H new ATOM 0 HZ3 LYS A 116 2.199 13.442 12.964 1.00 10.72 H new ATOM 1807 N CYS A 117 -1.905 18.925 16.285 1.00 7.61 N ATOM 1808 CA CYS A 117 -3.162 18.548 16.927 1.00 7.28 C ATOM 1809 C CYS A 117 -4.128 17.891 15.951 1.00 6.81 C ATOM 1810 O CYS A 117 -4.442 18.459 14.899 1.00 6.94 O ATOM 1811 CB CYS A 117 -3.844 19.782 17.511 1.00 7.77 C ATOM 1812 SG CYS A 117 -3.352 20.198 19.185 1.00 8.16 S ATOM 0 H CYS A 117 -1.840 19.915 16.050 1.00 7.61 H new ATOM 0 HA CYS A 117 -2.913 17.834 17.712 1.00 7.28 H new ATOM 0 HB2 CYS A 117 -3.635 20.634 16.864 1.00 7.77 H new ATOM 0 HB3 CYS A 117 -4.923 19.625 17.494 1.00 7.77 H new ATOM 1817 N PHE A 118 -4.633 16.717 16.313 1.00 6.60 N ATOM 1818 CA PHE A 118 -5.673 16.075 15.524 1.00 6.49 C ATOM 1819 C PHE A 118 -7.049 16.458 16.068 1.00 6.66 C ATOM 1820 O PHE A 118 -7.836 15.599 16.463 1.00 6.96 O ATOM 1821 CB PHE A 118 -5.519 14.552 15.556 1.00 6.75 C ATOM 1822 CG PHE A 118 -4.167 14.060 15.125 1.00 6.84 C ATOM 1823 CD1 PHE A 118 -3.686 14.328 13.854 1.00 7.09 C ATOM 1824 CD2 PHE A 118 -3.382 13.315 15.991 1.00 7.05 C ATOM 1825 CE1 PHE A 118 -2.447 13.863 13.456 1.00 7.55 C ATOM 1826 CE2 PHE A 118 -2.143 12.850 15.601 1.00 7.50 C ATOM 1827 CZ PHE A 118 -1.674 13.125 14.331 1.00 7.76 C ATOM 0 H PHE A 118 -4.341 16.196 17.140 1.00 6.60 H new ATOM 0 HA PHE A 118 -5.578 16.415 14.493 1.00 6.49 H new ATOM 0 HB2 PHE A 118 -5.716 14.200 16.569 1.00 6.75 H new ATOM 0 HB3 PHE A 118 -6.277 14.108 14.911 1.00 6.75 H new ATOM 0 HD1 PHE A 118 -4.286 14.906 13.167 1.00 7.09 H new ATOM 0 HD2 PHE A 118 -3.745 13.096 16.984 1.00 7.05 H new ATOM 0 HE1 PHE A 118 -2.083 14.076 12.462 1.00 7.55 H new ATOM 0 HE2 PHE A 118 -1.541 12.272 16.287 1.00 7.50 H new ATOM 0 HZ PHE A 118 -0.704 12.763 14.023 1.00 7.76 H new ATOM 1837 N ASN A 119 -7.341 17.754 16.030 1.00 6.83 N ATOM 1838 CA ASN A 119 -8.619 18.289 16.503 1.00 7.37 C ATOM 1839 C ASN A 119 -8.669 19.794 16.261 1.00 7.84 C ATOM 1840 O ASN A 119 -9.683 20.325 15.815 1.00 8.35 O ATOM 1841 CB ASN A 119 -8.871 17.965 17.990 1.00 7.76 C ATOM 1842 CG ASN A 119 -7.895 18.615 18.959 1.00 8.38 C ATOM 1843 OD1 ASN A 119 -6.736 18.881 18.628 1.00 8.64 O ATOM 1844 ND2 ASN A 119 -8.360 18.861 20.175 1.00 8.90 N ATOM 0 H ASN A 119 -6.702 18.464 15.672 1.00 6.83 H new ATOM 0 HA ASN A 119 -9.415 17.805 15.936 1.00 7.37 H new ATOM 0 HB2 ASN A 119 -9.882 18.279 18.249 1.00 7.76 H new ATOM 0 HB3 ASN A 119 -8.829 16.884 18.124 1.00 7.76 H new ATOM 0 HD21 ASN A 119 -7.753 19.285 20.877 1.00 8.90 H new ATOM 0 HD22 ASN A 119 -9.325 18.626 20.409 1.00 8.90 H new ATOM 1851 N CYS A 120 -7.554 20.471 16.532 1.00 7.96 N ATOM 1852 CA CYS A 120 -7.418 21.893 16.232 1.00 8.71 C ATOM 1853 C CYS A 120 -7.231 22.115 14.727 1.00 8.75 C ATOM 1854 O CYS A 120 -7.196 23.249 14.249 1.00 9.54 O ATOM 1855 CB CYS A 120 -6.231 22.490 17.003 1.00 9.25 C ATOM 1856 SG CYS A 120 -6.379 22.383 18.805 1.00 9.45 S ATOM 0 H CYS A 120 -6.728 20.053 16.961 1.00 7.96 H new ATOM 0 HA CYS A 120 -8.333 22.396 16.545 1.00 8.71 H new ATOM 0 HB2 CYS A 120 -5.319 21.979 16.695 1.00 9.25 H new ATOM 0 HB3 CYS A 120 -6.120 23.537 16.721 1.00 9.25 H new ATOM 1861 N GLY A 121 -7.118 21.017 13.984 1.00 8.15 N ATOM 1862 CA GLY A 121 -6.964 21.101 12.544 1.00 8.48 C ATOM 1863 C GLY A 121 -5.520 21.257 12.124 1.00 8.66 C ATOM 1864 O GLY A 121 -5.201 22.125 11.313 1.00 9.05 O ATOM 0 H GLY A 121 -7.131 20.068 14.357 1.00 8.15 H new ATOM 0 HA2 GLY A 121 -7.378 20.203 12.085 1.00 8.48 H new ATOM 0 HA3 GLY A 121 -7.541 21.946 12.169 1.00 8.48 H new ATOM 1868 N LYS A 122 -4.647 20.415 12.682 1.00 8.64 N ATOM 1869 CA LYS A 122 -3.219 20.452 12.378 1.00 9.14 C ATOM 1870 C LYS A 122 -2.612 21.771 12.818 1.00 9.38 C ATOM 1871 O LYS A 122 -2.183 22.586 12.006 1.00 9.60 O ATOM 1872 CB LYS A 122 -2.951 20.205 10.891 1.00 10.04 C ATOM 1873 CG LYS A 122 -3.311 18.803 10.446 1.00 10.62 C ATOM 1874 CD LYS A 122 -2.893 18.549 9.005 1.00 11.49 C ATOM 1875 CE LYS A 122 -3.256 17.143 8.557 1.00 12.13 C ATOM 1876 NZ LYS A 122 -2.878 16.892 7.140 1.00 12.70 N ATOM 0 H LYS A 122 -4.910 19.693 13.353 1.00 8.64 H new ATOM 0 HA LYS A 122 -2.744 19.646 12.937 1.00 9.14 H new ATOM 0 HB2 LYS A 122 -3.520 20.924 10.301 1.00 10.04 H new ATOM 0 HB3 LYS A 122 -1.896 20.386 10.683 1.00 10.04 H new ATOM 0 HG2 LYS A 122 -2.827 18.077 11.099 1.00 10.62 H new ATOM 0 HG3 LYS A 122 -4.386 18.654 10.545 1.00 10.62 H new ATOM 0 HD2 LYS A 122 -3.376 19.276 8.352 1.00 11.49 H new ATOM 0 HD3 LYS A 122 -1.818 18.697 8.906 1.00 11.49 H new ATOM 0 HE2 LYS A 122 -2.756 16.418 9.199 1.00 12.13 H new ATOM 0 HE3 LYS A 122 -4.328 16.990 8.678 1.00 12.13 H new ATOM 0 HZ1 LYS A 122 -3.144 15.922 6.876 1.00 12.70 H new ATOM 0 HZ2 LYS A 122 -3.375 17.566 6.524 1.00 12.70 H new ATOM 0 HZ3 LYS A 122 -1.851 17.012 7.028 1.00 12.70 H new ATOM 1890 N GLU A 123 -2.592 21.962 14.118 1.00 9.61 N ATOM 1891 CA GLU A 123 -2.026 23.159 14.716 1.00 10.15 C ATOM 1892 C GLU A 123 -0.856 22.774 15.604 1.00 10.16 C ATOM 1893 O GLU A 123 -0.717 21.609 15.967 1.00 9.77 O ATOM 1894 CB GLU A 123 -3.089 23.898 15.523 1.00 10.72 C ATOM 1895 CG GLU A 123 -4.203 24.492 14.677 1.00 11.36 C ATOM 1896 CD GLU A 123 -3.750 25.689 13.868 1.00 12.15 C ATOM 1897 OE1 GLU A 123 -3.972 26.834 14.311 1.00 12.53 O ATOM 1898 OE2 GLU A 123 -3.160 25.489 12.784 1.00 12.54 O ATOM 0 H GLU A 123 -2.966 21.295 14.793 1.00 9.61 H new ATOM 0 HA GLU A 123 -1.672 23.824 13.928 1.00 10.15 H new ATOM 0 HB2 GLU A 123 -3.524 23.210 16.248 1.00 10.72 H new ATOM 0 HB3 GLU A 123 -2.611 24.697 16.089 1.00 10.72 H new ATOM 0 HG2 GLU A 123 -4.588 23.727 14.002 1.00 11.36 H new ATOM 0 HG3 GLU A 123 -5.027 24.788 15.326 1.00 11.36 H new ATOM 1905 N GLY A 124 -0.036 23.754 15.964 1.00 10.81 N ATOM 1906 CA GLY A 124 1.202 23.479 16.668 1.00 11.18 C ATOM 1907 C GLY A 124 1.038 23.363 18.172 1.00 11.06 C ATOM 1908 O GLY A 124 1.781 23.988 18.931 1.00 11.83 O ATOM 0 H GLY A 124 -0.209 24.742 15.779 1.00 10.81 H new ATOM 0 HA2 GLY A 124 1.628 22.552 16.286 1.00 11.18 H new ATOM 0 HA3 GLY A 124 1.917 24.272 16.450 1.00 11.18 H new ATOM 1912 N HIS A 125 0.076 22.567 18.605 1.00 10.27 N ATOM 1913 CA HIS A 125 -0.089 22.260 20.020 1.00 10.32 C ATOM 1914 C HIS A 125 -0.348 20.773 20.181 1.00 9.72 C ATOM 1915 O HIS A 125 -0.255 20.010 19.225 1.00 9.32 O ATOM 1916 CB HIS A 125 -1.244 23.040 20.680 1.00 10.21 C ATOM 1917 CG HIS A 125 -1.971 24.025 19.816 1.00 10.68 C ATOM 1918 ND1 HIS A 125 -3.087 23.669 19.108 1.00 10.37 N ATOM 1919 CD2 HIS A 125 -1.762 25.349 19.664 1.00 11.65 C ATOM 1920 CE1 HIS A 125 -3.547 24.772 18.555 1.00 11.18 C ATOM 1921 NE2 HIS A 125 -2.772 25.827 18.859 1.00 11.94 N ATOM 0 H HIS A 125 -0.607 22.118 17.995 1.00 10.27 H new ATOM 0 HA HIS A 125 0.832 22.561 20.519 1.00 10.32 H new ATOM 0 HB2 HIS A 125 -1.969 22.319 21.058 1.00 10.21 H new ATOM 0 HB3 HIS A 125 -0.845 23.574 21.543 1.00 10.21 H new ATOM 0 HD2 HIS A 125 -0.955 25.925 20.093 1.00 11.65 H new ATOM 0 HE1 HIS A 125 -4.432 24.822 17.938 1.00 11.18 H new ATOM 0 HE2 HIS A 125 -2.905 26.791 18.554 1.00 11.94 H new ATOM 1929 N ILE A 126 -0.697 20.364 21.385 1.00 9.89 N ATOM 1930 CA ILE A 126 -0.997 18.965 21.640 1.00 9.58 C ATOM 1931 C ILE A 126 -2.455 18.800 22.044 1.00 9.30 C ATOM 1932 O ILE A 126 -2.955 19.490 22.937 1.00 9.89 O ATOM 1933 CB ILE A 126 -0.073 18.343 22.715 1.00 10.51 C ATOM 1934 CG1 ILE A 126 -0.135 19.134 24.024 1.00 11.44 C ATOM 1935 CG2 ILE A 126 1.358 18.273 22.199 1.00 10.87 C ATOM 1936 CD1 ILE A 126 0.625 18.487 25.162 1.00 12.22 C ATOM 0 H ILE A 126 -0.780 20.974 22.198 1.00 9.89 H new ATOM 0 HA ILE A 126 -0.813 18.428 20.709 1.00 9.58 H new ATOM 0 HB ILE A 126 -0.423 17.332 22.921 1.00 10.51 H new ATOM 0 HG12 ILE A 126 0.265 20.134 23.854 1.00 11.44 H new ATOM 0 HG13 ILE A 126 -1.178 19.254 24.317 1.00 11.44 H new ATOM 0 HG21 ILE A 126 1.999 17.834 22.963 1.00 10.87 H new ATOM 0 HG22 ILE A 126 1.391 17.657 21.300 1.00 10.87 H new ATOM 0 HG23 ILE A 126 1.710 19.278 21.964 1.00 10.87 H new ATOM 0 HD11 ILE A 126 0.536 19.104 26.056 1.00 12.22 H new ATOM 0 HD12 ILE A 126 0.211 17.498 25.360 1.00 12.22 H new ATOM 0 HD13 ILE A 126 1.676 18.392 24.890 1.00 12.22 H new ATOM 1948 N ALA A 127 -3.133 17.880 21.367 1.00 8.62 N ATOM 1949 CA ALA A 127 -4.562 17.647 21.568 1.00 8.50 C ATOM 1950 C ALA A 127 -4.859 17.218 22.996 1.00 9.47 C ATOM 1951 O ALA A 127 -5.993 17.303 23.459 1.00 9.79 O ATOM 1952 CB ALA A 127 -5.064 16.599 20.587 1.00 7.91 C ATOM 0 H ALA A 127 -2.710 17.274 20.664 1.00 8.62 H new ATOM 0 HA ALA A 127 -5.085 18.586 21.387 1.00 8.50 H new ATOM 0 HB1 ALA A 127 -6.130 16.433 20.745 1.00 7.91 H new ATOM 0 HB2 ALA A 127 -4.899 16.946 19.567 1.00 7.91 H new ATOM 0 HB3 ALA A 127 -4.524 15.665 20.744 1.00 7.91 H new ATOM 1958 N LYS A 128 -3.827 16.752 23.682 1.00 10.12 N ATOM 1959 CA LYS A 128 -3.956 16.280 25.051 1.00 11.20 C ATOM 1960 C LYS A 128 -4.128 17.447 26.023 1.00 11.91 C ATOM 1961 O LYS A 128 -4.643 17.275 27.128 1.00 12.77 O ATOM 1962 CB LYS A 128 -2.725 15.453 25.418 1.00 11.83 C ATOM 1963 CG LYS A 128 -2.369 14.429 24.353 1.00 11.76 C ATOM 1964 CD LYS A 128 -1.175 13.583 24.750 1.00 12.45 C ATOM 1965 CE LYS A 128 -0.725 12.682 23.608 1.00 12.66 C ATOM 1966 NZ LYS A 128 -1.817 11.797 23.121 1.00 13.15 N ATOM 0 H LYS A 128 -2.880 16.691 23.307 1.00 10.12 H new ATOM 0 HA LYS A 128 -4.847 15.657 25.126 1.00 11.20 H new ATOM 0 HB2 LYS A 128 -1.877 16.120 25.573 1.00 11.83 H new ATOM 0 HB3 LYS A 128 -2.905 14.941 26.363 1.00 11.83 H new ATOM 0 HG2 LYS A 128 -3.227 13.782 24.172 1.00 11.76 H new ATOM 0 HG3 LYS A 128 -2.154 14.942 23.416 1.00 11.76 H new ATOM 0 HD2 LYS A 128 -0.352 14.232 25.049 1.00 12.45 H new ATOM 0 HD3 LYS A 128 -1.432 12.973 25.616 1.00 12.45 H new ATOM 0 HE2 LYS A 128 -0.365 13.297 22.784 1.00 12.66 H new ATOM 0 HE3 LYS A 128 0.114 12.071 23.940 1.00 12.66 H new ATOM 0 HZ1 LYS A 128 -1.425 11.090 22.467 1.00 13.15 H new ATOM 0 HZ2 LYS A 128 -2.259 11.314 23.929 1.00 13.15 H new ATOM 0 HZ3 LYS A 128 -2.532 12.368 22.626 1.00 13.15 H new ATOM 1980 N ASN A 129 -3.705 18.638 25.608 1.00 11.70 N ATOM 1981 CA ASN A 129 -3.832 19.825 26.450 1.00 12.56 C ATOM 1982 C ASN A 129 -4.921 20.750 25.915 1.00 12.29 C ATOM 1983 O ASN A 129 -5.492 21.547 26.656 1.00 13.04 O ATOM 1984 CB ASN A 129 -2.496 20.576 26.535 1.00 13.04 C ATOM 1985 CG ASN A 129 -2.561 21.797 27.445 1.00 13.96 C ATOM 1986 OD1 ASN A 129 -2.398 21.688 28.660 1.00 14.48 O ATOM 1987 ND2 ASN A 129 -2.765 22.971 26.865 1.00 14.33 N ATOM 0 H ASN A 129 -3.274 18.807 24.699 1.00 11.70 H new ATOM 0 HA ASN A 129 -4.112 19.500 27.452 1.00 12.56 H new ATOM 0 HB2 ASN A 129 -1.726 19.897 26.900 1.00 13.04 H new ATOM 0 HB3 ASN A 129 -2.197 20.890 25.535 1.00 13.04 H new ATOM 0 HD21 ASN A 129 -2.791 23.821 27.429 1.00 14.33 H new ATOM 0 HD22 ASN A 129 -2.896 23.025 25.855 1.00 14.33 H new ATOM 1994 N CYS A 130 -5.218 20.632 24.631 1.00 11.34 N ATOM 1995 CA CYS A 130 -6.250 21.454 24.016 1.00 11.22 C ATOM 1996 C CYS A 130 -7.631 20.867 24.253 1.00 11.41 C ATOM 1997 O CYS A 130 -7.897 19.726 23.879 1.00 10.94 O ATOM 1998 CB CYS A 130 -6.026 21.569 22.514 1.00 10.26 C ATOM 1999 SG CYS A 130 -4.462 22.325 22.040 1.00 10.18 S ATOM 0 H CYS A 130 -4.762 19.978 23.995 1.00 11.34 H new ATOM 0 HA CYS A 130 -6.190 22.441 24.475 1.00 11.22 H new ATOM 0 HB2 CYS A 130 -6.080 20.573 22.075 1.00 10.26 H new ATOM 0 HB3 CYS A 130 -6.840 22.151 22.083 1.00 10.26 H new ATOM 2004 N ARG A 131 -8.507 21.641 24.869 1.00 12.28 N ATOM 2005 CA ARG A 131 -9.900 21.261 24.960 1.00 12.72 C ATOM 2006 C ARG A 131 -10.630 21.749 23.713 1.00 12.49 C ATOM 2007 O ARG A 131 -10.968 22.928 23.588 1.00 12.99 O ATOM 2008 CB ARG A 131 -10.527 21.823 26.238 1.00 13.93 C ATOM 2009 CG ARG A 131 -10.286 23.310 26.446 1.00 14.54 C ATOM 2010 CD ARG A 131 -10.663 23.733 27.851 1.00 15.39 C ATOM 2011 NE ARG A 131 -9.881 23.017 28.855 1.00 15.94 N ATOM 2012 CZ ARG A 131 -9.979 23.217 30.166 1.00 16.74 C ATOM 2013 NH1 ARG A 131 -10.826 24.119 30.649 1.00 17.08 N ATOM 2014 NH2 ARG A 131 -9.226 22.508 30.996 1.00 17.31 N ATOM 0 H ARG A 131 -8.277 22.531 25.311 1.00 12.28 H new ATOM 0 HA ARG A 131 -9.985 20.176 25.012 1.00 12.72 H new ATOM 0 HB2 ARG A 131 -11.601 21.640 26.214 1.00 13.93 H new ATOM 0 HB3 ARG A 131 -10.130 21.278 27.095 1.00 13.93 H new ATOM 0 HG2 ARG A 131 -9.236 23.540 26.263 1.00 14.54 H new ATOM 0 HG3 ARG A 131 -10.868 23.881 25.723 1.00 14.54 H new ATOM 0 HD2 ARG A 131 -10.506 24.806 27.963 1.00 15.39 H new ATOM 0 HD3 ARG A 131 -11.724 23.547 28.015 1.00 15.39 H new ATOM 0 HE ARG A 131 -9.215 22.317 28.529 1.00 15.94 H new ATOM 0 HH11 ARG A 131 -11.408 24.665 30.013 1.00 17.08 H new ATOM 0 HH12 ARG A 131 -10.895 24.266 31.656 1.00 17.08 H new ATOM 0 HH21 ARG A 131 -8.576 21.814 30.628 1.00 17.31 H new ATOM 0 HH22 ARG A 131 -9.297 22.657 32.003 1.00 17.31 H new ATOM 2028 N ALA A 132 -10.841 20.837 22.778 1.00 11.89 N ATOM 2029 CA ALA A 132 -11.448 21.167 21.502 1.00 11.80 C ATOM 2030 C ALA A 132 -12.086 19.928 20.890 1.00 11.49 C ATOM 2031 O ALA A 132 -11.490 18.850 20.913 1.00 10.98 O ATOM 2032 CB ALA A 132 -10.400 21.745 20.559 1.00 11.27 C ATOM 0 H ALA A 132 -10.597 19.852 22.883 1.00 11.89 H new ATOM 0 HA ALA A 132 -12.224 21.915 21.662 1.00 11.80 H new ATOM 0 HB1 ALA A 132 -10.865 21.990 19.604 1.00 11.27 H new ATOM 0 HB2 ALA A 132 -9.975 22.648 20.997 1.00 11.27 H new ATOM 0 HB3 ALA A 132 -9.609 21.012 20.400 1.00 11.27 H new ATOM 2038 N PRO A 133 -13.312 20.068 20.350 1.00 11.98 N ATOM 2039 CA PRO A 133 -14.047 18.957 19.732 1.00 11.96 C ATOM 2040 C PRO A 133 -13.220 18.221 18.683 1.00 11.21 C ATOM 2041 O PRO A 133 -12.936 18.755 17.607 1.00 11.39 O ATOM 2042 CB PRO A 133 -15.248 19.643 19.078 1.00 12.84 C ATOM 2043 CG PRO A 133 -15.450 20.888 19.868 1.00 13.32 C ATOM 2044 CD PRO A 133 -14.079 21.327 20.303 1.00 12.82 C ATOM 0 HA PRO A 133 -14.319 18.196 20.464 1.00 11.96 H new ATOM 0 HB2 PRO A 133 -15.053 19.867 18.029 1.00 12.84 H new ATOM 0 HB3 PRO A 133 -16.132 19.007 19.109 1.00 12.84 H new ATOM 0 HG2 PRO A 133 -15.934 21.658 19.267 1.00 13.32 H new ATOM 0 HG3 PRO A 133 -16.093 20.704 20.729 1.00 13.32 H new ATOM 0 HD2 PRO A 133 -13.643 22.036 19.600 1.00 12.82 H new ATOM 0 HD3 PRO A 133 -14.105 21.818 21.276 1.00 12.82 H new ATOM 2052 N ARG A 134 -12.832 16.998 19.009 1.00 10.58 N ATOM 2053 CA ARG A 134 -12.026 16.182 18.113 1.00 10.01 C ATOM 2054 C ARG A 134 -12.909 15.522 17.059 1.00 9.69 C ATOM 2055 O ARG A 134 -14.123 15.405 17.235 1.00 10.21 O ATOM 2056 CB ARG A 134 -11.275 15.106 18.910 1.00 10.03 C ATOM 2057 CG ARG A 134 -10.287 14.296 18.081 1.00 10.19 C ATOM 2058 CD ARG A 134 -9.756 13.094 18.847 1.00 10.81 C ATOM 2059 NE ARG A 134 -10.808 12.113 19.119 1.00 11.15 N ATOM 2060 CZ ARG A 134 -10.605 10.964 19.762 1.00 11.83 C ATOM 2061 NH1 ARG A 134 -9.399 10.652 20.221 1.00 12.25 N ATOM 2062 NH2 ARG A 134 -11.614 10.126 19.945 1.00 12.30 N ATOM 0 H ARG A 134 -13.064 16.546 19.893 1.00 10.58 H new ATOM 0 HA ARG A 134 -11.302 16.826 17.614 1.00 10.01 H new ATOM 0 HB2 ARG A 134 -10.739 15.584 19.730 1.00 10.03 H new ATOM 0 HB3 ARG A 134 -12.001 14.427 19.357 1.00 10.03 H new ATOM 0 HG2 ARG A 134 -10.773 13.958 17.166 1.00 10.19 H new ATOM 0 HG3 ARG A 134 -9.455 14.933 17.783 1.00 10.19 H new ATOM 0 HD2 ARG A 134 -8.958 12.622 18.274 1.00 10.81 H new ATOM 0 HD3 ARG A 134 -9.318 13.427 19.788 1.00 10.81 H new ATOM 0 HE ARG A 134 -11.753 12.322 18.797 1.00 11.15 H new ATOM 0 HH11 ARG A 134 -8.619 11.294 20.082 1.00 12.25 H new ATOM 0 HH12 ARG A 134 -9.253 9.770 20.712 1.00 12.25 H new ATOM 0 HH21 ARG A 134 -12.542 10.361 19.594 1.00 12.30 H new ATOM 0 HH22 ARG A 134 -11.463 9.245 20.437 1.00 12.30 H new ATOM 2076 N LYS A 135 -12.293 15.107 15.962 1.00 9.06 N ATOM 2077 CA LYS A 135 -12.981 14.337 14.937 1.00 9.00 C ATOM 2078 C LYS A 135 -13.182 12.898 15.410 1.00 9.08 C ATOM 2079 O LYS A 135 -12.931 12.584 16.575 1.00 9.30 O ATOM 2080 CB LYS A 135 -12.177 14.361 13.635 1.00 8.75 C ATOM 2081 CG LYS A 135 -12.122 15.729 12.973 1.00 8.95 C ATOM 2082 CD LYS A 135 -13.510 16.217 12.599 1.00 9.28 C ATOM 2083 CE LYS A 135 -13.468 17.566 11.901 1.00 9.72 C ATOM 2084 NZ LYS A 135 -14.833 18.080 11.619 1.00 10.11 N ATOM 0 H LYS A 135 -11.311 15.292 15.758 1.00 9.06 H new ATOM 0 HA LYS A 135 -13.958 14.784 14.753 1.00 9.00 H new ATOM 0 HB2 LYS A 135 -11.160 14.026 13.840 1.00 8.75 H new ATOM 0 HB3 LYS A 135 -12.613 13.647 12.936 1.00 8.75 H new ATOM 0 HG2 LYS A 135 -11.653 16.444 13.649 1.00 8.95 H new ATOM 0 HG3 LYS A 135 -11.499 15.678 12.080 1.00 8.95 H new ATOM 0 HD2 LYS A 135 -13.988 15.486 11.947 1.00 9.28 H new ATOM 0 HD3 LYS A 135 -14.123 16.292 13.497 1.00 9.28 H new ATOM 0 HE2 LYS A 135 -12.931 18.282 12.524 1.00 9.72 H new ATOM 0 HE3 LYS A 135 -12.913 17.476 10.967 1.00 9.72 H new ATOM 0 HZ1 LYS A 135 -14.765 19.002 11.142 1.00 10.11 H new ATOM 0 HZ2 LYS A 135 -15.337 17.409 11.005 1.00 10.11 H new ATOM 0 HZ3 LYS A 135 -15.354 18.190 12.512 1.00 10.11 H new ATOM 2098 N LYS A 136 -13.613 12.022 14.507 1.00 9.17 N ATOM 2099 CA LYS A 136 -13.873 10.626 14.858 1.00 9.54 C ATOM 2100 C LYS A 136 -12.567 9.830 14.941 1.00 9.54 C ATOM 2101 O LYS A 136 -12.438 8.759 14.340 1.00 9.99 O ATOM 2102 CB LYS A 136 -14.822 9.970 13.841 1.00 10.03 C ATOM 2103 CG LYS A 136 -16.258 10.488 13.894 1.00 10.42 C ATOM 2104 CD LYS A 136 -16.427 11.811 13.160 1.00 10.60 C ATOM 2105 CE LYS A 136 -16.349 11.635 11.649 1.00 11.32 C ATOM 2106 NZ LYS A 136 -16.475 12.932 10.932 1.00 11.69 N ATOM 0 H LYS A 136 -13.790 12.251 13.529 1.00 9.17 H new ATOM 0 HA LYS A 136 -14.351 10.617 15.838 1.00 9.54 H new ATOM 0 HB2 LYS A 136 -14.427 10.131 12.838 1.00 10.03 H new ATOM 0 HB3 LYS A 136 -14.830 8.893 14.012 1.00 10.03 H new ATOM 0 HG2 LYS A 136 -16.925 9.745 13.456 1.00 10.42 H new ATOM 0 HG3 LYS A 136 -16.558 10.612 14.934 1.00 10.42 H new ATOM 0 HD2 LYS A 136 -17.387 12.253 13.425 1.00 10.60 H new ATOM 0 HD3 LYS A 136 -15.654 12.508 13.485 1.00 10.60 H new ATOM 0 HE2 LYS A 136 -15.401 11.166 11.387 1.00 11.32 H new ATOM 0 HE3 LYS A 136 -17.140 10.960 11.321 1.00 11.32 H new ATOM 0 HZ1 LYS A 136 -16.417 12.769 9.907 1.00 11.69 H new ATOM 0 HZ2 LYS A 136 -17.391 13.368 11.162 1.00 11.69 H new ATOM 0 HZ3 LYS A 136 -15.706 13.567 11.226 1.00 11.69 H new ATOM 2120 N GLY A 137 -11.611 10.361 15.698 1.00 9.28 N ATOM 2121 CA GLY A 137 -10.305 9.744 15.816 1.00 9.53 C ATOM 2122 C GLY A 137 -9.463 9.965 14.578 1.00 9.53 C ATOM 2123 O GLY A 137 -8.521 10.758 14.586 1.00 9.44 O ATOM 0 H GLY A 137 -11.722 11.219 16.238 1.00 9.28 H new ATOM 0 HA2 GLY A 137 -9.788 10.152 16.684 1.00 9.53 H new ATOM 0 HA3 GLY A 137 -10.423 8.674 15.989 1.00 9.53 H new ATOM 2127 N CYS A 138 -9.816 9.262 13.517 1.00 9.89 N ATOM 2128 CA CYS A 138 -9.155 9.399 12.237 1.00 10.22 C ATOM 2129 C CYS A 138 -9.716 10.596 11.472 1.00 9.92 C ATOM 2130 O CYS A 138 -10.899 10.926 11.593 1.00 9.94 O ATOM 2131 CB CYS A 138 -9.363 8.126 11.420 1.00 11.12 C ATOM 2132 SG CYS A 138 -8.650 6.633 12.144 1.00 12.01 S ATOM 0 H CYS A 138 -10.573 8.578 13.522 1.00 9.89 H new ATOM 0 HA CYS A 138 -8.090 9.559 12.405 1.00 10.22 H new ATOM 0 HB2 CYS A 138 -10.433 7.970 11.283 1.00 11.12 H new ATOM 0 HB3 CYS A 138 -8.933 8.273 10.429 1.00 11.12 H new ATOM 2137 N TRP A 139 -8.860 11.246 10.695 1.00 9.89 N ATOM 2138 CA TRP A 139 -9.277 12.373 9.869 1.00 9.90 C ATOM 2139 C TRP A 139 -9.502 11.926 8.432 1.00 10.86 C ATOM 2140 O TRP A 139 -10.520 12.241 7.822 1.00 11.32 O ATOM 2141 CB TRP A 139 -8.235 13.489 9.919 1.00 9.65 C ATOM 2142 CG TRP A 139 -8.296 14.306 11.172 1.00 9.03 C ATOM 2143 CD1 TRP A 139 -8.066 13.879 12.449 1.00 8.51 C ATOM 2144 CD2 TRP A 139 -8.606 15.700 11.264 1.00 9.20 C ATOM 2145 NE1 TRP A 139 -8.224 14.920 13.331 1.00 8.35 N ATOM 2146 CE2 TRP A 139 -8.552 16.050 12.625 1.00 8.78 C ATOM 2147 CE3 TRP A 139 -8.928 16.684 10.325 1.00 9.91 C ATOM 2148 CZ2 TRP A 139 -8.803 17.346 13.066 1.00 9.11 C ATOM 2149 CZ3 TRP A 139 -9.176 17.970 10.769 1.00 10.19 C ATOM 2150 CH2 TRP A 139 -9.113 18.291 12.128 1.00 9.81 C ATOM 0 H TRP A 139 -7.870 11.012 10.619 1.00 9.89 H new ATOM 0 HA TRP A 139 -10.217 12.758 10.265 1.00 9.90 H new ATOM 0 HB2 TRP A 139 -7.241 13.052 9.828 1.00 9.65 H new ATOM 0 HB3 TRP A 139 -8.375 14.145 9.060 1.00 9.65 H new ATOM 0 HD1 TRP A 139 -7.799 12.870 12.725 1.00 8.51 H new ATOM 0 HE1 TRP A 139 -8.115 14.863 14.344 1.00 8.35 H new ATOM 0 HE3 TRP A 139 -8.982 16.445 9.273 1.00 9.91 H new ATOM 0 HZ2 TRP A 139 -8.754 17.597 14.115 1.00 9.11 H new ATOM 0 HZ3 TRP A 139 -9.423 18.740 10.053 1.00 10.19 H new ATOM 0 HH2 TRP A 139 -9.313 19.305 12.443 1.00 9.81 H new ATOM 2161 N LYS A 140 -8.544 11.188 7.896 1.00 11.35 N ATOM 2162 CA LYS A 140 -8.681 10.614 6.568 1.00 12.41 C ATOM 2163 C LYS A 140 -9.563 9.379 6.660 1.00 12.91 C ATOM 2164 O LYS A 140 -10.528 9.222 5.916 1.00 13.52 O ATOM 2165 CB LYS A 140 -7.297 10.259 6.014 1.00 13.04 C ATOM 2166 CG LYS A 140 -7.254 9.973 4.515 1.00 14.05 C ATOM 2167 CD LYS A 140 -7.888 8.635 4.170 1.00 14.34 C ATOM 2168 CE LYS A 140 -7.798 8.331 2.687 1.00 15.50 C ATOM 2169 NZ LYS A 140 -8.480 7.055 2.348 1.00 16.11 N ATOM 0 H LYS A 140 -7.662 10.972 8.361 1.00 11.35 H new ATOM 0 HA LYS A 140 -9.143 11.332 5.890 1.00 12.41 H new ATOM 0 HB2 LYS A 140 -6.614 11.080 6.231 1.00 13.04 H new ATOM 0 HB3 LYS A 140 -6.923 9.384 6.546 1.00 13.04 H new ATOM 0 HG2 LYS A 140 -7.773 10.768 3.980 1.00 14.05 H new ATOM 0 HG3 LYS A 140 -6.219 9.982 4.174 1.00 14.05 H new ATOM 0 HD2 LYS A 140 -7.394 7.843 4.733 1.00 14.34 H new ATOM 0 HD3 LYS A 140 -8.934 8.639 4.477 1.00 14.34 H new ATOM 0 HE2 LYS A 140 -8.247 9.146 2.120 1.00 15.50 H new ATOM 0 HE3 LYS A 140 -6.751 8.275 2.389 1.00 15.50 H new ATOM 0 HZ1 LYS A 140 -8.399 6.879 1.326 1.00 16.11 H new ATOM 0 HZ2 LYS A 140 -8.035 6.274 2.871 1.00 16.11 H new ATOM 0 HZ3 LYS A 140 -9.485 7.118 2.610 1.00 16.11 H new ATOM 2183 N CYS A 141 -9.235 8.526 7.615 1.00 12.82 N ATOM 2184 CA CYS A 141 -9.995 7.316 7.882 1.00 13.44 C ATOM 2185 C CYS A 141 -11.161 7.646 8.823 1.00 13.01 C ATOM 2186 O CYS A 141 -11.610 6.817 9.608 1.00 13.56 O ATOM 2187 CB CYS A 141 -9.041 6.264 8.480 1.00 13.82 C ATOM 2188 SG CYS A 141 -9.810 4.748 9.093 1.00 13.97 S ATOM 0 H CYS A 141 -8.431 8.653 8.230 1.00 12.82 H new ATOM 0 HA CYS A 141 -10.423 6.908 6.966 1.00 13.44 H new ATOM 0 HB2 CYS A 141 -8.309 5.994 7.719 1.00 13.82 H new ATOM 0 HB3 CYS A 141 -8.492 6.726 9.301 1.00 13.82 H new ATOM 2193 N GLY A 142 -11.630 8.884 8.753 1.00 12.16 N ATOM 2194 CA GLY A 142 -12.718 9.321 9.611 1.00 11.86 C ATOM 2195 C GLY A 142 -14.053 8.703 9.238 1.00 11.95 C ATOM 2196 O GLY A 142 -14.767 9.228 8.381 1.00 12.26 O ATOM 0 H GLY A 142 -11.276 9.597 8.116 1.00 12.16 H new ATOM 0 HA2 GLY A 142 -12.483 9.067 10.645 1.00 11.86 H new ATOM 0 HA3 GLY A 142 -12.800 10.407 9.560 1.00 11.86 H new ATOM 2200 N LYS A 143 -14.392 7.585 9.871 1.00 11.90 N ATOM 2201 CA LYS A 143 -15.658 6.916 9.599 1.00 12.23 C ATOM 2202 C LYS A 143 -16.632 7.065 10.773 1.00 11.90 C ATOM 2203 O LYS A 143 -17.461 7.977 10.781 1.00 11.44 O ATOM 2204 CB LYS A 143 -15.427 5.436 9.274 1.00 13.11 C ATOM 2205 CG LYS A 143 -16.635 4.738 8.664 1.00 13.82 C ATOM 2206 CD LYS A 143 -16.935 5.264 7.269 1.00 14.46 C ATOM 2207 CE LYS A 143 -18.078 4.506 6.610 1.00 15.30 C ATOM 2208 NZ LYS A 143 -19.350 4.645 7.363 1.00 15.88 N ATOM 0 H LYS A 143 -13.811 7.125 10.572 1.00 11.90 H new ATOM 0 HA LYS A 143 -16.108 7.396 8.730 1.00 12.23 H new ATOM 0 HB2 LYS A 143 -14.587 5.353 8.585 1.00 13.11 H new ATOM 0 HB3 LYS A 143 -15.142 4.914 10.188 1.00 13.11 H new ATOM 0 HG2 LYS A 143 -16.452 3.665 8.618 1.00 13.82 H new ATOM 0 HG3 LYS A 143 -17.504 4.886 9.305 1.00 13.82 H new ATOM 0 HD2 LYS A 143 -17.187 6.323 7.327 1.00 14.46 H new ATOM 0 HD3 LYS A 143 -16.041 5.183 6.650 1.00 14.46 H new ATOM 0 HE2 LYS A 143 -18.217 4.874 5.593 1.00 15.30 H new ATOM 0 HE3 LYS A 143 -17.816 3.451 6.534 1.00 15.30 H new ATOM 0 HZ1 LYS A 143 -20.127 4.229 6.811 1.00 15.88 H new ATOM 0 HZ2 LYS A 143 -19.270 4.151 8.275 1.00 15.88 H new ATOM 0 HZ3 LYS A 143 -19.545 5.653 7.531 1.00 15.88 H new ATOM 2222 N GLU A 144 -16.524 6.190 11.774 1.00 12.31 N ATOM 2223 CA GLU A 144 -17.460 6.217 12.897 1.00 12.29 C ATOM 2224 C GLU A 144 -16.786 6.633 14.198 1.00 12.31 C ATOM 2225 O GLU A 144 -17.391 7.322 15.018 1.00 12.33 O ATOM 2226 CB GLU A 144 -18.115 4.848 13.089 1.00 13.02 C ATOM 2227 CG GLU A 144 -19.008 4.430 11.935 1.00 13.41 C ATOM 2228 CD GLU A 144 -19.612 3.058 12.133 1.00 13.89 C ATOM 2229 OE1 GLU A 144 -20.750 2.973 12.641 1.00 14.11 O ATOM 2230 OE2 GLU A 144 -18.946 2.055 11.796 1.00 14.20 O ATOM 0 H GLU A 144 -15.809 5.465 11.830 1.00 12.31 H new ATOM 0 HA GLU A 144 -18.219 6.960 12.652 1.00 12.29 H new ATOM 0 HB2 GLU A 144 -17.335 4.098 13.223 1.00 13.02 H new ATOM 0 HB3 GLU A 144 -18.704 4.863 14.006 1.00 13.02 H new ATOM 0 HG2 GLU A 144 -19.808 5.161 11.816 1.00 13.41 H new ATOM 0 HG3 GLU A 144 -18.429 4.438 11.011 1.00 13.41 H new ATOM 2237 N GLY A 145 -15.537 6.235 14.382 1.00 12.50 N ATOM 2238 CA GLY A 145 -14.844 6.567 15.610 1.00 12.76 C ATOM 2239 C GLY A 145 -13.721 5.606 15.923 1.00 12.89 C ATOM 2240 O GLY A 145 -13.889 4.666 16.698 1.00 13.35 O ATOM 0 H GLY A 145 -14.994 5.693 13.710 1.00 12.50 H new ATOM 0 HA2 GLY A 145 -14.442 7.577 15.534 1.00 12.76 H new ATOM 0 HA3 GLY A 145 -15.556 6.569 16.435 1.00 12.76 H new ATOM 2244 N HIS A 146 -12.579 5.830 15.301 1.00 12.67 N ATOM 2245 CA HIS A 146 -11.396 5.023 15.555 1.00 12.99 C ATOM 2246 C HIS A 146 -10.207 5.938 15.739 1.00 12.58 C ATOM 2247 O HIS A 146 -9.988 6.836 14.935 1.00 11.92 O ATOM 2248 CB HIS A 146 -11.108 4.031 14.412 1.00 13.11 C ATOM 2249 CG HIS A 146 -12.027 4.133 13.231 1.00 13.73 C ATOM 2250 ND1 HIS A 146 -11.678 4.824 12.095 1.00 13.78 N ATOM 2251 CD2 HIS A 146 -13.262 3.601 13.060 1.00 14.46 C ATOM 2252 CE1 HIS A 146 -12.695 4.691 11.267 1.00 14.54 C ATOM 2253 NE2 HIS A 146 -13.684 3.960 11.807 1.00 14.96 N ATOM 0 H HIS A 146 -12.443 6.569 14.611 1.00 12.67 H new ATOM 0 HA HIS A 146 -11.578 4.438 16.456 1.00 12.99 H new ATOM 0 HB2 HIS A 146 -10.084 4.183 14.070 1.00 13.11 H new ATOM 0 HB3 HIS A 146 -11.164 3.018 14.809 1.00 13.11 H new ATOM 0 HD2 HIS A 146 -13.810 3.006 13.776 1.00 14.46 H new ATOM 0 HE1 HIS A 146 -12.729 5.118 10.275 1.00 14.54 H new ATOM 0 HE2 HIS A 146 -14.574 3.720 11.370 1.00 14.96 H new ATOM 2261 N GLN A 147 -9.456 5.719 16.803 1.00 13.15 N ATOM 2262 CA GLN A 147 -8.299 6.546 17.103 1.00 13.06 C ATOM 2263 C GLN A 147 -7.250 6.366 16.012 1.00 12.82 C ATOM 2264 O GLN A 147 -6.865 5.246 15.712 1.00 13.08 O ATOM 2265 CB GLN A 147 -7.714 6.186 18.475 1.00 14.01 C ATOM 2266 CG GLN A 147 -8.694 6.321 19.640 1.00 14.38 C ATOM 2267 CD GLN A 147 -9.763 5.242 19.655 1.00 14.79 C ATOM 2268 OE1 GLN A 147 -9.542 4.124 19.195 1.00 14.85 O ATOM 2269 NE2 GLN A 147 -10.932 5.567 20.177 1.00 15.24 N ATOM 0 H GLN A 147 -9.627 4.973 17.477 1.00 13.15 H new ATOM 0 HA GLN A 147 -8.609 7.591 17.135 1.00 13.06 H new ATOM 0 HB2 GLN A 147 -7.349 5.159 18.442 1.00 14.01 H new ATOM 0 HB3 GLN A 147 -6.852 6.825 18.667 1.00 14.01 H new ATOM 0 HG2 GLN A 147 -8.140 6.286 20.578 1.00 14.38 H new ATOM 0 HG3 GLN A 147 -9.175 7.298 19.590 1.00 14.38 H new ATOM 0 HE21 GLN A 147 -11.081 6.505 20.550 1.00 15.24 H new ATOM 0 HE22 GLN A 147 -11.686 4.880 20.207 1.00 15.24 H new ATOM 2278 N MET A 148 -6.802 7.474 15.429 1.00 12.52 N ATOM 2279 CA MET A 148 -5.987 7.454 14.206 1.00 12.47 C ATOM 2280 C MET A 148 -4.820 6.473 14.277 1.00 13.37 C ATOM 2281 O MET A 148 -4.584 5.707 13.338 1.00 13.85 O ATOM 2282 CB MET A 148 -5.452 8.853 13.914 1.00 11.69 C ATOM 2283 CG MET A 148 -4.644 8.939 12.628 1.00 11.72 C ATOM 2284 SD MET A 148 -3.908 10.565 12.374 1.00 11.68 S ATOM 2285 CE MET A 148 -5.371 11.597 12.357 1.00 11.96 C ATOM 0 H MET A 148 -6.990 8.411 15.785 1.00 12.52 H new ATOM 0 HA MET A 148 -6.642 7.118 13.403 1.00 12.47 H new ATOM 0 HB2 MET A 148 -6.289 9.548 13.854 1.00 11.69 H new ATOM 0 HB3 MET A 148 -4.828 9.176 14.748 1.00 11.69 H new ATOM 0 HG2 MET A 148 -3.855 8.187 12.649 1.00 11.72 H new ATOM 0 HG3 MET A 148 -5.289 8.701 11.782 1.00 11.72 H new ATOM 0 HE1 MET A 148 -5.224 12.425 11.664 1.00 11.96 H new ATOM 0 HE2 MET A 148 -6.230 11.006 12.039 1.00 11.96 H new ATOM 0 HE3 MET A 148 -5.551 11.989 13.358 1.00 11.96 H new ATOM 2295 N LYS A 149 -4.092 6.500 15.381 1.00 13.75 N ATOM 2296 CA LYS A 149 -2.908 5.664 15.539 1.00 14.74 C ATOM 2297 C LYS A 149 -3.302 4.213 15.792 1.00 15.59 C ATOM 2298 O LYS A 149 -2.826 3.297 15.122 1.00 16.38 O ATOM 2299 CB LYS A 149 -2.065 6.166 16.710 1.00 15.07 C ATOM 2300 CG LYS A 149 -1.753 7.651 16.659 1.00 14.89 C ATOM 2301 CD LYS A 149 -1.417 8.216 18.037 1.00 14.96 C ATOM 2302 CE LYS A 149 -0.142 7.620 18.627 1.00 15.59 C ATOM 2303 NZ LYS A 149 -0.364 6.279 19.236 1.00 15.96 N ATOM 0 H LYS A 149 -4.299 7.093 16.185 1.00 13.75 H new ATOM 0 HA LYS A 149 -2.328 5.720 14.618 1.00 14.74 H new ATOM 0 HB2 LYS A 149 -2.589 5.948 17.641 1.00 15.07 H new ATOM 0 HB3 LYS A 149 -1.128 5.610 16.734 1.00 15.07 H new ATOM 0 HG2 LYS A 149 -0.915 7.822 15.984 1.00 14.89 H new ATOM 0 HG3 LYS A 149 -2.608 8.187 16.247 1.00 14.89 H new ATOM 0 HD2 LYS A 149 -1.306 9.298 17.964 1.00 14.96 H new ATOM 0 HD3 LYS A 149 -2.249 8.026 18.715 1.00 14.96 H new ATOM 0 HE2 LYS A 149 0.612 7.539 17.844 1.00 15.59 H new ATOM 0 HE3 LYS A 149 0.255 8.297 19.383 1.00 15.59 H new ATOM 0 HZ1 LYS A 149 0.155 6.216 20.135 1.00 15.96 H new ATOM 0 HZ2 LYS A 149 -1.380 6.142 19.412 1.00 15.96 H new ATOM 0 HZ3 LYS A 149 -0.023 5.542 18.587 1.00 15.96 H new ATOM 2317 N ASP A 150 -4.187 4.028 16.759 1.00 15.52 N ATOM 2318 CA ASP A 150 -4.589 2.696 17.213 1.00 16.41 C ATOM 2319 C ASP A 150 -5.570 2.028 16.245 1.00 16.34 C ATOM 2320 O ASP A 150 -5.879 0.842 16.386 1.00 17.13 O ATOM 2321 CB ASP A 150 -5.214 2.807 18.609 1.00 16.67 C ATOM 2322 CG ASP A 150 -5.622 1.467 19.188 1.00 17.24 C ATOM 2323 OD1 ASP A 150 -4.729 0.675 19.556 1.00 17.41 O ATOM 2324 OD2 ASP A 150 -6.841 1.206 19.294 1.00 17.63 O ATOM 0 H ASP A 150 -4.649 4.792 17.253 1.00 15.52 H new ATOM 0 HA ASP A 150 -3.699 2.067 17.250 1.00 16.41 H new ATOM 0 HB2 ASP A 150 -4.502 3.285 19.282 1.00 16.67 H new ATOM 0 HB3 ASP A 150 -6.089 3.455 18.558 1.00 16.67 H new ATOM 2329 N CYS A 151 -6.055 2.787 15.267 1.00 15.51 N ATOM 2330 CA CYS A 151 -7.031 2.278 14.308 1.00 15.54 C ATOM 2331 C CYS A 151 -6.507 1.047 13.577 1.00 15.97 C ATOM 2332 O CYS A 151 -5.589 1.133 12.758 1.00 15.64 O ATOM 2333 CB CYS A 151 -7.410 3.363 13.297 1.00 14.63 C ATOM 2334 SG CYS A 151 -8.743 2.887 12.166 1.00 14.46 S ATOM 0 H CYS A 151 -5.787 3.760 15.117 1.00 15.51 H new ATOM 0 HA CYS A 151 -7.919 1.988 14.869 1.00 15.54 H new ATOM 0 HB2 CYS A 151 -7.710 4.260 13.838 1.00 14.63 H new ATOM 0 HB3 CYS A 151 -6.528 3.624 12.712 1.00 14.63 H new ATOM 2339 N THR A 152 -7.085 -0.097 13.898 1.00 16.85 N ATOM 2340 CA THR A 152 -6.765 -1.336 13.223 1.00 17.48 C ATOM 2341 C THR A 152 -8.049 -2.124 12.993 1.00 17.79 C ATOM 2342 O THR A 152 -8.901 -2.215 13.879 1.00 18.21 O ATOM 2343 CB THR A 152 -5.742 -2.178 14.025 1.00 18.43 C ATOM 2344 OG1 THR A 152 -5.380 -3.355 13.290 1.00 18.64 O ATOM 2345 CG2 THR A 152 -6.290 -2.580 15.390 1.00 18.95 C ATOM 0 H THR A 152 -7.787 -0.190 14.632 1.00 16.85 H new ATOM 0 HA THR A 152 -6.301 -1.101 12.265 1.00 17.48 H new ATOM 0 HB THR A 152 -4.860 -1.557 14.180 1.00 18.43 H new ATOM 0 HG1 THR A 152 -4.732 -3.877 13.807 1.00 18.64 H new ATOM 0 HG21 THR A 152 -5.544 -3.169 15.923 1.00 18.95 H new ATOM 0 HG22 THR A 152 -6.524 -1.685 15.966 1.00 18.95 H new ATOM 0 HG23 THR A 152 -7.195 -3.174 15.258 1.00 18.95 H new ATOM 2353 N GLU A 153 -8.205 -2.667 11.801 1.00 17.71 N ATOM 2354 CA GLU A 153 -9.436 -3.340 11.441 1.00 18.13 C ATOM 2355 C GLU A 153 -9.426 -4.801 11.855 1.00 19.12 C ATOM 2356 O GLU A 153 -8.442 -5.514 11.646 1.00 19.35 O ATOM 2357 CB GLU A 153 -9.706 -3.211 9.944 1.00 17.70 C ATOM 2358 CG GLU A 153 -10.361 -1.896 9.577 1.00 17.60 C ATOM 2359 CD GLU A 153 -11.666 -1.701 10.317 1.00 17.59 C ATOM 2360 OE1 GLU A 153 -11.664 -1.033 11.372 1.00 17.64 O ATOM 2361 OE2 GLU A 153 -12.696 -2.234 9.860 1.00 17.65 O ATOM 0 H GLU A 153 -7.496 -2.655 11.068 1.00 17.71 H new ATOM 0 HA GLU A 153 -10.243 -2.850 11.986 1.00 18.13 H new ATOM 0 HB2 GLU A 153 -8.766 -3.308 9.400 1.00 17.70 H new ATOM 0 HB3 GLU A 153 -10.346 -4.033 9.623 1.00 17.70 H new ATOM 0 HG2 GLU A 153 -9.684 -1.074 9.809 1.00 17.60 H new ATOM 0 HG3 GLU A 153 -10.543 -1.866 8.503 1.00 17.60 H new ATOM 2368 N ARG A 154 -10.526 -5.222 12.463 1.00 19.80 N ATOM 2369 CA ARG A 154 -10.718 -6.608 12.851 1.00 20.84 C ATOM 2370 C ARG A 154 -12.195 -6.853 13.139 1.00 21.28 C ATOM 2371 O ARG A 154 -12.571 -7.381 14.188 1.00 21.68 O ATOM 2372 CB ARG A 154 -9.866 -6.954 14.073 1.00 21.38 C ATOM 2373 CG ARG A 154 -9.781 -8.446 14.346 1.00 21.89 C ATOM 2374 CD ARG A 154 -8.866 -8.739 15.517 1.00 22.33 C ATOM 2375 NE ARG A 154 -8.727 -10.169 15.766 1.00 22.67 N ATOM 2376 CZ ARG A 154 -7.985 -10.677 16.744 1.00 23.08 C ATOM 2377 NH1 ARG A 154 -7.321 -9.872 17.565 1.00 23.21 N ATOM 2378 NH2 ARG A 154 -7.905 -11.990 16.902 1.00 23.48 N ATOM 0 H ARG A 154 -11.308 -4.612 12.700 1.00 19.80 H new ATOM 0 HA ARG A 154 -10.400 -7.253 12.032 1.00 20.84 H new ATOM 0 HB2 ARG A 154 -8.860 -6.561 13.928 1.00 21.38 H new ATOM 0 HB3 ARG A 154 -10.280 -6.455 14.949 1.00 21.38 H new ATOM 0 HG2 ARG A 154 -10.777 -8.837 14.553 1.00 21.89 H new ATOM 0 HG3 ARG A 154 -9.415 -8.960 13.458 1.00 21.89 H new ATOM 0 HD2 ARG A 154 -7.883 -8.309 15.324 1.00 22.33 H new ATOM 0 HD3 ARG A 154 -9.257 -8.253 16.411 1.00 22.33 H new ATOM 0 HE ARG A 154 -9.227 -10.815 15.155 1.00 22.67 H new ATOM 0 HH11 ARG A 154 -7.380 -8.861 17.446 1.00 23.21 H new ATOM 0 HH12 ARG A 154 -6.752 -10.265 18.315 1.00 23.21 H new ATOM 0 HH21 ARG A 154 -8.413 -12.611 16.273 1.00 23.48 H new ATOM 0 HH22 ARG A 154 -7.335 -12.380 17.653 1.00 23.48 H new ATOM 2392 N GLN A 155 -13.031 -6.426 12.208 1.00 21.32 N ATOM 2393 CA GLN A 155 -14.464 -6.635 12.313 1.00 21.85 C ATOM 2394 C GLN A 155 -14.899 -7.668 11.284 1.00 22.14 C ATOM 2395 O GLN A 155 -15.384 -8.746 11.630 1.00 22.34 O ATOM 2396 CB GLN A 155 -15.216 -5.320 12.087 1.00 21.93 C ATOM 2397 CG GLN A 155 -16.706 -5.414 12.368 1.00 22.12 C ATOM 2398 CD GLN A 155 -16.999 -5.715 13.823 1.00 22.30 C ATOM 2399 OE1 GLN A 155 -16.239 -5.327 14.713 1.00 22.37 O ATOM 2400 NE2 GLN A 155 -18.096 -6.407 14.075 1.00 22.51 N ATOM 0 H GLN A 155 -12.739 -5.930 11.366 1.00 21.32 H new ATOM 0 HA GLN A 155 -14.699 -6.997 13.314 1.00 21.85 H new ATOM 0 HB2 GLN A 155 -14.783 -4.549 12.725 1.00 21.93 H new ATOM 0 HB3 GLN A 155 -15.069 -5.000 11.055 1.00 21.93 H new ATOM 0 HG2 GLN A 155 -17.186 -4.476 12.090 1.00 22.12 H new ATOM 0 HG3 GLN A 155 -17.143 -6.193 11.743 1.00 22.12 H new ATOM 0 HE21 GLN A 155 -18.697 -6.708 13.308 1.00 22.51 H new ATOM 0 HE22 GLN A 155 -18.342 -6.640 15.037 1.00 22.51 H new ATOM 2409 N ALA A 156 -14.706 -7.334 10.017 1.00 22.27 N ATOM 2410 CA ALA A 156 -15.004 -8.252 8.933 1.00 22.67 C ATOM 2411 C ALA A 156 -13.841 -9.210 8.733 1.00 23.02 C ATOM 2412 O ALA A 156 -14.025 -10.371 8.372 1.00 23.30 O ATOM 2413 CB ALA A 156 -15.293 -7.483 7.653 1.00 22.74 C ATOM 0 H ALA A 156 -14.343 -6.430 9.716 1.00 22.27 H new ATOM 0 HA ALA A 156 -15.892 -8.830 9.190 1.00 22.67 H new ATOM 0 HB1 ALA A 156 -15.515 -8.185 6.849 1.00 22.74 H new ATOM 0 HB2 ALA A 156 -16.149 -6.827 7.808 1.00 22.74 H new ATOM 0 HB3 ALA A 156 -14.422 -6.885 7.383 1.00 22.74 H new ATOM 2419 N ASN A 157 -12.640 -8.712 8.986 1.00 23.11 N ATOM 2420 CA ASN A 157 -11.438 -9.514 8.870 1.00 23.57 C ATOM 2421 C ASN A 157 -10.490 -9.186 10.008 1.00 23.76 C ATOM 2422 O ASN A 157 -10.364 -10.013 10.932 1.00 23.91 O ATOM 2423 CB ASN A 157 -10.746 -9.278 7.525 1.00 23.80 C ATOM 2424 CG ASN A 157 -9.457 -10.070 7.394 1.00 23.98 C ATOM 2425 OD1 ASN A 157 -8.376 -9.588 7.736 1.00 23.92 O ATOM 2426 ND2 ASN A 157 -9.563 -11.291 6.896 1.00 24.30 N ATOM 2427 OXT ASN A 157 -9.902 -8.091 9.990 1.00 23.85 O ATOM 0 H ASN A 157 -12.475 -7.748 9.275 1.00 23.11 H new ATOM 0 HA ASN A 157 -11.720 -10.565 8.925 1.00 23.57 H new ATOM 0 HB2 ASN A 157 -11.423 -9.554 6.717 1.00 23.80 H new ATOM 0 HB3 ASN A 157 -10.530 -8.216 7.411 1.00 23.80 H new ATOM 0 HD21 ASN A 157 -8.731 -11.870 6.783 1.00 24.30 H new ATOM 0 HD22 ASN A 157 -10.477 -11.654 6.625 1.00 24.30 H new TER 2434 ASN A 157 HETATM 2435 ZN ZN A 201 -4.286 22.212 19.756 1.00 9.38 ZN HETATM 2436 ZN ZN A 202 -9.796 4.780 11.397 1.00 13.43 ZN