USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1020 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 THR OG1 : rot 93:sc= 1.23 USER MOD Set 1.2: A 123 ASN : amide:sc= 1.1 K(o=2.3,f=-4.7!) USER MOD Set 2.1: A 17 HIS : no HE2:sc= 0.337 K(o=0.74,f=-0.84) USER MOD Set 2.2: A 23 LYS NZ :NH3+ 153:sc= 0.408 (180deg=0) USER MOD Set 3.1: A 14 MET CE :methyl -168:sc= -0.187 (180deg=-0.188) USER MOD Set 3.2: A 84 MET CE :methyl 176:sc= -0.0926 (180deg=-0.104) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 140:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 21 THR OG1 : rot -64:sc= 1.18 USER MOD Single : A 25 MET CE :methyl -153:sc= -0.112 (180deg=-0.654) USER MOD Single : A 28 CYS SG : rot 180:sc= 0.416 USER MOD Single : A 29 MET CE :methyl 172:sc= -0.0049 (180deg=-0.0963) USER MOD Single : A 35 MET CE :methyl -158:sc= -0.061 (180deg=-0.839) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.72 K(o=-1.7,f=-0.31) USER MOD Single : A 41 LYS NZ :NH3+ -125:sc= 0.951 (180deg=-0.135) USER MOD Single : A 42 TYR OH : rot -2:sc= 0.601 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= -0.37 (180deg=-0.897) USER MOD Single : A 48 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.0018) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 150:sc= 0 USER MOD Single : A 62 THR OG1 : rot -170:sc= 0.13 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0174 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.1) USER MOD Single : A 75 ASN : amide:sc= 0.75 K(o=0.75,f=-5.6!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0311 X(o=-0.031,f=-0.031) USER MOD Single : A 83 THR OG1 : rot 137:sc= 1.26 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 0.115 K(o=0.12,f=-1.9) USER MOD Single : A 94 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.0071) USER MOD Single : A 101 CYS SG : rot -177:sc= 0.893 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0.796 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 103:sc= 0.421 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 71:sc= 1.19 USER MOD Single : A 122 TYR OH : rot 111:sc= -0.0156 USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot -71:sc= 0.659 USER MOD Single : A 128 SER OG : rot 180:sc= 0.221 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.881 -18.671 1.378 1.00 52.22 N ATOM 2 CA GLY A 1 4.101 -18.553 2.187 1.00 1.44 C ATOM 3 C GLY A 1 4.070 -17.240 2.950 1.00 25.55 C ATOM 4 O GLY A 1 4.188 -16.179 2.332 1.00 1.13 O ATOM 0 H1 GLY A 1 2.898 -19.569 0.854 1.00 52.22 H new ATOM 0 H2 GLY A 1 2.048 -18.649 2.001 1.00 52.22 H new ATOM 0 H3 GLY A 1 2.832 -17.879 0.706 1.00 52.22 H new ATOM 0 HA2 GLY A 1 4.173 -19.390 2.882 1.00 1.44 H new ATOM 0 HA3 GLY A 1 4.982 -18.594 1.546 1.00 1.44 H new ATOM 8 N SER A 2 3.890 -17.288 4.271 1.00 74.13 N ATOM 9 CA SER A 2 3.543 -16.130 5.085 1.00 12.45 C ATOM 10 C SER A 2 4.817 -15.433 5.577 1.00 31.05 C ATOM 11 O SER A 2 5.558 -15.996 6.389 1.00 41.44 O ATOM 12 CB SER A 2 2.628 -16.585 6.232 1.00 70.32 C ATOM 13 OG SER A 2 1.704 -15.598 6.649 1.00 70.24 O ATOM 0 H SER A 2 3.984 -18.148 4.811 1.00 74.13 H new ATOM 0 HA SER A 2 2.995 -15.394 4.496 1.00 12.45 H new ATOM 0 HB2 SER A 2 2.080 -17.473 5.917 1.00 70.32 H new ATOM 0 HB3 SER A 2 3.244 -16.876 7.083 1.00 70.32 H new ATOM 0 HG SER A 2 1.153 -15.953 7.378 1.00 70.24 H new ATOM 19 N HIS A 3 5.096 -14.234 5.055 1.00 74.10 N ATOM 20 CA HIS A 3 6.330 -13.486 5.293 1.00 23.41 C ATOM 21 C HIS A 3 6.026 -11.989 5.382 1.00 54.33 C ATOM 22 O HIS A 3 4.871 -11.576 5.231 1.00 64.31 O ATOM 23 CB HIS A 3 7.356 -13.754 4.177 1.00 31.21 C ATOM 24 CG HIS A 3 7.613 -15.208 3.877 1.00 74.25 C ATOM 25 ND1 HIS A 3 7.290 -15.850 2.705 1.00 42.33 N ATOM 26 CD2 HIS A 3 8.184 -16.129 4.710 1.00 22.25 C ATOM 27 CE1 HIS A 3 7.622 -17.140 2.836 1.00 44.21 C ATOM 28 NE2 HIS A 3 8.212 -17.348 4.022 1.00 34.05 N ATOM 0 H HIS A 3 4.449 -13.745 4.437 1.00 74.10 H new ATOM 0 HA HIS A 3 6.758 -13.820 6.238 1.00 23.41 H new ATOM 0 HB2 HIS A 3 7.012 -13.267 3.265 1.00 31.21 H new ATOM 0 HB3 HIS A 3 8.300 -13.284 4.453 1.00 31.21 H new ATOM 0 HD2 HIS A 3 8.546 -15.950 5.712 1.00 22.25 H new ATOM 0 HE1 HIS A 3 7.441 -17.903 2.094 1.00 44.21 H new ATOM 0 HE2 HIS A 3 8.606 -18.227 4.359 1.00 34.05 H new ATOM 36 N MET A 4 7.066 -11.185 5.614 1.00 35.22 N ATOM 37 CA MET A 4 6.997 -9.743 5.805 1.00 33.11 C ATOM 38 C MET A 4 8.015 -9.064 4.883 1.00 35.11 C ATOM 39 O MET A 4 8.799 -9.743 4.208 1.00 4.45 O ATOM 40 CB MET A 4 7.226 -9.387 7.287 1.00 24.44 C ATOM 41 CG MET A 4 6.140 -9.952 8.212 1.00 31.32 C ATOM 42 SD MET A 4 6.286 -11.710 8.652 1.00 44.34 S ATOM 43 CE MET A 4 4.535 -12.165 8.734 1.00 3.21 C ATOM 0 H MET A 4 8.020 -11.542 5.676 1.00 35.22 H new ATOM 0 HA MET A 4 6.004 -9.378 5.541 1.00 33.11 H new ATOM 0 HB2 MET A 4 8.198 -9.768 7.601 1.00 24.44 H new ATOM 0 HB3 MET A 4 7.259 -8.303 7.394 1.00 24.44 H new ATOM 0 HG2 MET A 4 6.138 -9.369 9.133 1.00 31.32 H new ATOM 0 HG3 MET A 4 5.172 -9.799 7.735 1.00 31.32 H new ATOM 0 HE1 MET A 4 4.445 -13.220 8.995 1.00 3.21 H new ATOM 0 HE2 MET A 4 4.037 -11.560 9.492 1.00 3.21 H new ATOM 0 HE3 MET A 4 4.068 -11.990 7.765 1.00 3.21 H new ATOM 53 N GLY A 5 7.998 -7.730 4.853 1.00 4.33 N ATOM 54 CA GLY A 5 8.869 -6.952 3.987 1.00 1.12 C ATOM 55 C GLY A 5 8.364 -6.978 2.551 1.00 70.13 C ATOM 56 O GLY A 5 7.174 -7.178 2.290 1.00 41.10 O ATOM 0 H GLY A 5 7.377 -7.163 5.431 1.00 4.33 H new ATOM 0 HA2 GLY A 5 8.917 -5.923 4.342 1.00 1.12 H new ATOM 0 HA3 GLY A 5 9.882 -7.352 4.029 1.00 1.12 H new ATOM 60 N THR A 6 9.270 -6.728 1.610 1.00 34.13 N ATOM 61 CA THR A 6 8.988 -6.894 0.192 1.00 43.42 C ATOM 62 C THR A 6 8.697 -8.375 -0.071 1.00 14.33 C ATOM 63 O THR A 6 9.368 -9.240 0.500 1.00 32.44 O ATOM 64 CB THR A 6 10.194 -6.407 -0.636 1.00 52.42 C ATOM 65 OG1 THR A 6 10.823 -5.308 0.001 1.00 64.24 O ATOM 66 CG2 THR A 6 9.810 -5.973 -2.050 1.00 71.21 C ATOM 0 H THR A 6 10.217 -6.406 1.810 1.00 34.13 H new ATOM 0 HA THR A 6 8.121 -6.302 -0.101 1.00 43.42 H new ATOM 0 HB THR A 6 10.870 -7.259 -0.706 1.00 52.42 H new ATOM 0 HG1 THR A 6 11.553 -5.633 0.568 1.00 64.24 H new ATOM 0 HG21 THR A 6 10.701 -5.641 -2.583 1.00 71.21 H new ATOM 0 HG22 THR A 6 9.362 -6.814 -2.580 1.00 71.21 H new ATOM 0 HG23 THR A 6 9.092 -5.154 -1.997 1.00 71.21 H new ATOM 74 N VAL A 7 7.753 -8.657 -0.970 1.00 25.24 N ATOM 75 CA VAL A 7 7.433 -9.974 -1.507 1.00 31.23 C ATOM 76 C VAL A 7 7.040 -9.829 -2.990 1.00 2.44 C ATOM 77 O VAL A 7 6.945 -8.709 -3.496 1.00 61.33 O ATOM 78 CB VAL A 7 6.322 -10.638 -0.671 1.00 14.24 C ATOM 79 CG1 VAL A 7 6.729 -10.902 0.787 1.00 53.54 C ATOM 80 CG2 VAL A 7 5.015 -9.824 -0.653 1.00 13.14 C ATOM 0 H VAL A 7 7.159 -7.928 -1.364 1.00 25.24 H new ATOM 0 HA VAL A 7 8.304 -10.626 -1.448 1.00 31.23 H new ATOM 0 HB VAL A 7 6.156 -11.590 -1.176 1.00 14.24 H new ATOM 0 HG11 VAL A 7 5.900 -11.371 1.317 1.00 53.54 H new ATOM 0 HG12 VAL A 7 7.594 -11.564 0.809 1.00 53.54 H new ATOM 0 HG13 VAL A 7 6.982 -9.959 1.271 1.00 53.54 H new ATOM 0 HG21 VAL A 7 4.271 -10.343 -0.048 1.00 13.14 H new ATOM 0 HG22 VAL A 7 5.206 -8.839 -0.227 1.00 13.14 H new ATOM 0 HG23 VAL A 7 4.641 -9.713 -1.671 1.00 13.14 H new ATOM 90 N SER A 8 6.775 -10.936 -3.688 1.00 20.05 N ATOM 91 CA SER A 8 6.370 -10.969 -5.098 1.00 51.21 C ATOM 92 C SER A 8 4.937 -11.501 -5.240 1.00 74.03 C ATOM 93 O SER A 8 4.597 -12.189 -6.208 1.00 60.33 O ATOM 94 CB SER A 8 7.416 -11.712 -5.951 1.00 51.22 C ATOM 95 OG SER A 8 7.959 -12.863 -5.317 1.00 12.51 O ATOM 0 H SER A 8 6.838 -11.866 -3.274 1.00 20.05 H new ATOM 0 HA SER A 8 6.343 -9.954 -5.494 1.00 51.21 H new ATOM 0 HB2 SER A 8 6.957 -12.010 -6.894 1.00 51.22 H new ATOM 0 HB3 SER A 8 8.227 -11.026 -6.194 1.00 51.22 H new ATOM 0 HG SER A 8 8.058 -13.583 -5.975 1.00 12.51 H new ATOM 101 N TRP A 9 4.090 -11.208 -4.245 1.00 72.12 N ATOM 102 CA TRP A 9 2.654 -11.447 -4.330 1.00 40.21 C ATOM 103 C TRP A 9 2.052 -10.624 -5.459 1.00 14.23 C ATOM 104 O TRP A 9 2.684 -9.721 -6.010 1.00 5.01 O ATOM 105 CB TRP A 9 1.959 -11.066 -3.018 1.00 43.43 C ATOM 106 CG TRP A 9 2.279 -11.863 -1.811 1.00 13.34 C ATOM 107 CD1 TRP A 9 3.084 -12.938 -1.770 1.00 10.42 C ATOM 108 CD2 TRP A 9 1.860 -11.606 -0.445 1.00 11.02 C ATOM 109 NE1 TRP A 9 3.292 -13.296 -0.456 1.00 14.53 N ATOM 110 CE2 TRP A 9 2.581 -12.486 0.412 1.00 73.44 C ATOM 111 CE3 TRP A 9 0.984 -10.678 0.153 1.00 34.24 C ATOM 112 CZ2 TRP A 9 2.494 -12.393 1.809 1.00 12.14 C ATOM 113 CZ3 TRP A 9 0.882 -10.583 1.551 1.00 41.33 C ATOM 114 CH2 TRP A 9 1.653 -11.418 2.376 1.00 64.24 C ATOM 0 H TRP A 9 4.387 -10.798 -3.360 1.00 72.12 H new ATOM 0 HA TRP A 9 2.503 -12.509 -4.522 1.00 40.21 H new ATOM 0 HB2 TRP A 9 2.196 -10.024 -2.804 1.00 43.43 H new ATOM 0 HB3 TRP A 9 0.883 -11.122 -3.181 1.00 43.43 H new ATOM 0 HD1 TRP A 9 3.501 -13.441 -2.630 1.00 10.42 H new ATOM 0 HE1 TRP A 9 3.895 -14.063 -0.160 1.00 14.53 H new ATOM 0 HE3 TRP A 9 0.384 -10.032 -0.471 1.00 34.24 H new ATOM 0 HZ2 TRP A 9 3.064 -13.060 2.440 1.00 12.14 H new ATOM 0 HZ3 TRP A 9 0.208 -9.865 1.993 1.00 41.33 H new ATOM 0 HH2 TRP A 9 1.600 -11.311 3.449 1.00 64.24 H new ATOM 125 N ASN A 10 0.794 -10.937 -5.750 1.00 21.51 N ATOM 126 CA ASN A 10 0.046 -10.331 -6.842 1.00 13.32 C ATOM 127 C ASN A 10 -1.195 -9.657 -6.271 1.00 2.15 C ATOM 128 O ASN A 10 -1.600 -9.946 -5.145 1.00 0.23 O ATOM 129 CB ASN A 10 -0.271 -11.353 -7.962 1.00 53.21 C ATOM 130 CG ASN A 10 0.038 -12.812 -7.624 1.00 45.14 C ATOM 131 OD1 ASN A 10 1.004 -13.389 -8.113 1.00 2.14 O ATOM 132 ND2 ASN A 10 -0.752 -13.462 -6.793 1.00 35.35 N ATOM 0 H ASN A 10 0.259 -11.629 -5.225 1.00 21.51 H new ATOM 0 HA ASN A 10 0.655 -9.568 -7.326 1.00 13.32 H new ATOM 0 HB2 ASN A 10 -1.328 -11.272 -8.216 1.00 53.21 H new ATOM 0 HB3 ASN A 10 0.293 -11.077 -8.853 1.00 53.21 H new ATOM 0 HD21 ASN A 10 -0.558 -14.436 -6.562 1.00 35.35 H new ATOM 0 HD22 ASN A 10 -1.558 -12.991 -6.381 1.00 35.35 H new ATOM 139 N LEU A 11 -1.817 -8.771 -7.054 1.00 25.32 N ATOM 140 CA LEU A 11 -2.896 -7.893 -6.597 1.00 23.35 C ATOM 141 C LEU A 11 -4.005 -8.664 -5.874 1.00 60.11 C ATOM 142 O LEU A 11 -4.464 -8.224 -4.820 1.00 74.10 O ATOM 143 CB LEU A 11 -3.415 -7.060 -7.788 1.00 2.01 C ATOM 144 CG LEU A 11 -4.266 -5.807 -7.479 1.00 4.13 C ATOM 145 CD1 LEU A 11 -5.702 -6.097 -7.033 1.00 73.43 C ATOM 146 CD2 LEU A 11 -3.589 -4.854 -6.486 1.00 34.21 C ATOM 0 H LEU A 11 -1.581 -8.642 -8.038 1.00 25.32 H new ATOM 0 HA LEU A 11 -2.501 -7.205 -5.849 1.00 23.35 H new ATOM 0 HB2 LEU A 11 -2.553 -6.742 -8.375 1.00 2.01 H new ATOM 0 HB3 LEU A 11 -4.008 -7.718 -8.423 1.00 2.01 H new ATOM 0 HG LEU A 11 -4.337 -5.311 -8.447 1.00 4.13 H new ATOM 0 HD11 LEU A 11 -6.220 -5.157 -6.839 1.00 73.43 H new ATOM 0 HD12 LEU A 11 -6.224 -6.644 -7.819 1.00 73.43 H new ATOM 0 HD13 LEU A 11 -5.686 -6.697 -6.123 1.00 73.43 H new ATOM 0 HD21 LEU A 11 -4.235 -3.994 -6.309 1.00 34.21 H new ATOM 0 HD22 LEU A 11 -3.412 -5.375 -5.545 1.00 34.21 H new ATOM 0 HD23 LEU A 11 -2.638 -4.515 -6.897 1.00 34.21 H new ATOM 158 N ARG A 12 -4.435 -9.822 -6.393 1.00 62.31 N ATOM 159 CA ARG A 12 -5.506 -10.573 -5.750 1.00 33.24 C ATOM 160 C ARG A 12 -5.033 -11.262 -4.486 1.00 34.43 C ATOM 161 O ARG A 12 -5.830 -11.413 -3.566 1.00 54.03 O ATOM 162 CB ARG A 12 -6.061 -11.618 -6.714 1.00 30.51 C ATOM 163 CG ARG A 12 -7.584 -11.734 -6.593 1.00 72.02 C ATOM 164 CD ARG A 12 -8.120 -12.645 -7.696 1.00 32.24 C ATOM 165 NE ARG A 12 -9.076 -13.650 -7.189 1.00 43.02 N ATOM 166 CZ ARG A 12 -9.007 -14.975 -7.367 1.00 33.11 C ATOM 167 NH1 ARG A 12 -7.993 -15.508 -8.038 1.00 72.33 N ATOM 168 NH2 ARG A 12 -9.963 -15.764 -6.890 1.00 40.34 N ATOM 0 H ARG A 12 -4.062 -10.248 -7.241 1.00 62.31 H new ATOM 0 HA ARG A 12 -6.285 -9.861 -5.478 1.00 33.24 H new ATOM 0 HB2 ARG A 12 -5.795 -11.350 -7.737 1.00 30.51 H new ATOM 0 HB3 ARG A 12 -5.603 -12.585 -6.508 1.00 30.51 H new ATOM 0 HG2 ARG A 12 -7.851 -12.135 -5.615 1.00 72.02 H new ATOM 0 HG3 ARG A 12 -8.041 -10.747 -6.669 1.00 72.02 H new ATOM 0 HD2 ARG A 12 -8.608 -12.038 -8.459 1.00 32.24 H new ATOM 0 HD3 ARG A 12 -7.286 -13.154 -8.179 1.00 32.24 H new ATOM 0 HE ARG A 12 -9.868 -13.300 -6.650 1.00 43.02 H new ATOM 0 HH11 ARG A 12 -7.263 -14.907 -8.420 1.00 72.33 H new ATOM 0 HH12 ARG A 12 -7.944 -16.518 -8.171 1.00 72.33 H new ATOM 0 HH21 ARG A 12 -10.753 -15.361 -6.386 1.00 40.34 H new ATOM 0 HH22 ARG A 12 -9.907 -16.773 -7.027 1.00 40.34 H new ATOM 182 N GLU A 13 -3.771 -11.696 -4.465 1.00 54.25 N ATOM 183 CA GLU A 13 -3.120 -12.178 -3.249 1.00 53.21 C ATOM 184 C GLU A 13 -3.219 -11.104 -2.164 1.00 32.42 C ATOM 185 O GLU A 13 -3.772 -11.382 -1.109 1.00 31.40 O ATOM 186 CB GLU A 13 -1.680 -12.681 -3.460 1.00 44.35 C ATOM 187 CG GLU A 13 -1.571 -14.212 -3.503 1.00 14.04 C ATOM 188 CD GLU A 13 -1.829 -14.894 -2.150 1.00 4.43 C ATOM 189 OE1 GLU A 13 -0.887 -15.103 -1.357 1.00 33.20 O ATOM 190 OE2 GLU A 13 -2.993 -15.268 -1.867 1.00 74.02 O ATOM 0 H GLU A 13 -3.173 -11.722 -5.291 1.00 54.25 H new ATOM 0 HA GLU A 13 -3.656 -13.068 -2.921 1.00 53.21 H new ATOM 0 HB2 GLU A 13 -1.292 -12.270 -4.392 1.00 44.35 H new ATOM 0 HB3 GLU A 13 -1.049 -12.301 -2.657 1.00 44.35 H new ATOM 0 HG2 GLU A 13 -2.282 -14.597 -4.234 1.00 14.04 H new ATOM 0 HG3 GLU A 13 -0.576 -14.486 -3.853 1.00 14.04 H new ATOM 197 N MET A 14 -2.737 -9.878 -2.402 1.00 40.30 N ATOM 198 CA MET A 14 -2.750 -8.847 -1.366 1.00 13.24 C ATOM 199 C MET A 14 -4.161 -8.339 -1.028 1.00 61.14 C ATOM 200 O MET A 14 -4.388 -7.944 0.118 1.00 3.41 O ATOM 201 CB MET A 14 -1.766 -7.716 -1.694 1.00 5.51 C ATOM 202 CG MET A 14 -2.107 -6.881 -2.932 1.00 71.43 C ATOM 203 SD MET A 14 -0.836 -5.720 -3.535 1.00 20.22 S ATOM 204 CE MET A 14 -0.110 -5.037 -2.019 1.00 1.32 C ATOM 0 H MET A 14 -2.338 -9.581 -3.293 1.00 40.30 H new ATOM 0 HA MET A 14 -2.400 -9.320 -0.448 1.00 13.24 H new ATOM 0 HB2 MET A 14 -1.706 -7.050 -0.833 1.00 5.51 H new ATOM 0 HB3 MET A 14 -0.775 -8.149 -1.831 1.00 5.51 H new ATOM 0 HG2 MET A 14 -2.350 -7.566 -3.744 1.00 71.43 H new ATOM 0 HG3 MET A 14 -3.010 -6.310 -2.715 1.00 71.43 H new ATOM 0 HE1 MET A 14 0.512 -4.178 -2.269 1.00 1.32 H new ATOM 0 HE2 MET A 14 -0.906 -4.724 -1.343 1.00 1.32 H new ATOM 0 HE3 MET A 14 0.500 -5.798 -1.533 1.00 1.32 H new ATOM 214 N LEU A 15 -5.121 -8.381 -1.963 1.00 13.22 N ATOM 215 CA LEU A 15 -6.525 -8.101 -1.648 1.00 64.34 C ATOM 216 C LEU A 15 -7.059 -9.161 -0.681 1.00 53.31 C ATOM 217 O LEU A 15 -7.560 -8.825 0.389 1.00 14.04 O ATOM 218 CB LEU A 15 -7.388 -8.011 -2.925 1.00 43.32 C ATOM 219 CG LEU A 15 -8.678 -7.193 -2.690 1.00 74.15 C ATOM 220 CD1 LEU A 15 -8.357 -5.694 -2.631 1.00 62.32 C ATOM 221 CD2 LEU A 15 -9.688 -7.402 -3.830 1.00 44.40 C ATOM 0 H LEU A 15 -4.949 -8.606 -2.943 1.00 13.22 H new ATOM 0 HA LEU A 15 -6.584 -7.126 -1.163 1.00 64.34 H new ATOM 0 HB2 LEU A 15 -6.807 -7.552 -3.725 1.00 43.32 H new ATOM 0 HB3 LEU A 15 -7.650 -9.015 -3.258 1.00 43.32 H new ATOM 0 HG LEU A 15 -9.104 -7.537 -1.748 1.00 74.15 H new ATOM 0 HD11 LEU A 15 -9.276 -5.131 -2.465 1.00 62.32 H new ATOM 0 HD12 LEU A 15 -7.662 -5.503 -1.814 1.00 62.32 H new ATOM 0 HD13 LEU A 15 -7.905 -5.381 -3.572 1.00 62.32 H new ATOM 0 HD21 LEU A 15 -10.584 -6.813 -3.635 1.00 44.40 H new ATOM 0 HD22 LEU A 15 -9.243 -7.084 -4.773 1.00 44.40 H new ATOM 0 HD23 LEU A 15 -9.954 -8.457 -3.892 1.00 44.40 H new ATOM 233 N ALA A 16 -6.932 -10.438 -1.051 1.00 61.02 N ATOM 234 CA ALA A 16 -7.398 -11.568 -0.261 1.00 73.54 C ATOM 235 C ALA A 16 -6.709 -11.627 1.098 1.00 32.42 C ATOM 236 O ALA A 16 -7.359 -11.967 2.084 1.00 22.24 O ATOM 237 CB ALA A 16 -7.123 -12.858 -1.030 1.00 32.03 C ATOM 0 H ALA A 16 -6.492 -10.715 -1.928 1.00 61.02 H new ATOM 0 HA ALA A 16 -8.467 -11.448 -0.087 1.00 73.54 H new ATOM 0 HB1 ALA A 16 -7.469 -13.711 -0.446 1.00 32.03 H new ATOM 0 HB2 ALA A 16 -7.651 -12.833 -1.983 1.00 32.03 H new ATOM 0 HB3 ALA A 16 -6.052 -12.953 -1.211 1.00 32.03 H new ATOM 243 N HIS A 17 -5.424 -11.268 1.163 1.00 11.01 N ATOM 244 CA HIS A 17 -4.640 -11.232 2.385 1.00 51.13 C ATOM 245 C HIS A 17 -5.407 -10.461 3.454 1.00 61.02 C ATOM 246 O HIS A 17 -5.706 -11.015 4.506 1.00 72.00 O ATOM 247 CB HIS A 17 -3.256 -10.624 2.105 1.00 34.45 C ATOM 248 CG HIS A 17 -2.331 -10.650 3.293 1.00 24.52 C ATOM 249 ND1 HIS A 17 -1.781 -11.785 3.834 1.00 63.20 N ATOM 250 CD2 HIS A 17 -1.819 -9.577 3.975 1.00 43.14 C ATOM 251 CE1 HIS A 17 -0.951 -11.407 4.815 1.00 53.44 C ATOM 252 NE2 HIS A 17 -0.954 -10.071 4.956 1.00 31.21 N ATOM 0 H HIS A 17 -4.892 -10.988 0.339 1.00 11.01 H new ATOM 0 HA HIS A 17 -4.475 -12.243 2.757 1.00 51.13 H new ATOM 0 HB2 HIS A 17 -2.791 -11.166 1.282 1.00 34.45 H new ATOM 0 HB3 HIS A 17 -3.382 -9.592 1.776 1.00 34.45 H new ATOM 0 HD1 HIS A 17 -1.970 -12.744 3.542 1.00 63.20 H new ATOM 0 HD2 HIS A 17 -2.043 -8.537 3.788 1.00 43.14 H new ATOM 0 HE1 HIS A 17 -0.359 -12.085 5.412 1.00 53.44 H new ATOM 260 N ALA A 18 -5.772 -9.207 3.194 1.00 14.34 N ATOM 261 CA ALA A 18 -6.468 -8.354 4.154 1.00 33.21 C ATOM 262 C ALA A 18 -7.975 -8.662 4.264 1.00 12.31 C ATOM 263 O ALA A 18 -8.637 -8.070 5.118 1.00 13.41 O ATOM 264 CB ALA A 18 -6.266 -6.904 3.717 1.00 43.34 C ATOM 0 H ALA A 18 -5.590 -8.750 2.300 1.00 14.34 H new ATOM 0 HA ALA A 18 -6.050 -8.542 5.143 1.00 33.21 H new ATOM 0 HB1 ALA A 18 -6.775 -6.239 4.415 1.00 43.34 H new ATOM 0 HB2 ALA A 18 -5.201 -6.672 3.706 1.00 43.34 H new ATOM 0 HB3 ALA A 18 -6.678 -6.764 2.717 1.00 43.34 H new ATOM 270 N GLU A 19 -8.540 -9.554 3.436 1.00 43.33 N ATOM 271 CA GLU A 19 -9.855 -10.131 3.684 1.00 12.31 C ATOM 272 C GLU A 19 -9.748 -11.295 4.666 1.00 73.24 C ATOM 273 O GLU A 19 -10.685 -11.557 5.420 1.00 22.53 O ATOM 274 CB GLU A 19 -10.501 -10.623 2.372 1.00 72.41 C ATOM 275 CG GLU A 19 -11.161 -9.457 1.632 1.00 34.13 C ATOM 276 CD GLU A 19 -12.369 -9.782 0.755 1.00 15.42 C ATOM 277 OE1 GLU A 19 -12.666 -10.930 0.386 1.00 61.30 O ATOM 278 OE2 GLU A 19 -13.134 -8.823 0.474 1.00 44.13 O ATOM 0 H GLU A 19 -8.095 -9.889 2.582 1.00 43.33 H new ATOM 0 HA GLU A 19 -10.485 -9.352 4.113 1.00 12.31 H new ATOM 0 HB2 GLU A 19 -9.744 -11.083 1.737 1.00 72.41 H new ATOM 0 HB3 GLU A 19 -11.244 -11.390 2.590 1.00 72.41 H new ATOM 0 HG2 GLU A 19 -11.469 -8.718 2.372 1.00 34.13 H new ATOM 0 HG3 GLU A 19 -10.406 -8.984 1.005 1.00 34.13 H new ATOM 285 N GLU A 20 -8.636 -12.025 4.640 1.00 25.40 N ATOM 286 CA GLU A 20 -8.396 -13.182 5.486 1.00 20.31 C ATOM 287 C GLU A 20 -7.832 -12.756 6.850 1.00 70.34 C ATOM 288 O GLU A 20 -8.116 -13.402 7.864 1.00 55.02 O ATOM 289 CB GLU A 20 -7.413 -14.105 4.744 1.00 12.45 C ATOM 290 CG GLU A 20 -7.417 -15.534 5.291 1.00 3.41 C ATOM 291 CD GLU A 20 -8.732 -16.286 5.064 1.00 22.41 C ATOM 292 OE1 GLU A 20 -9.546 -15.904 4.196 1.00 14.43 O ATOM 293 OE2 GLU A 20 -8.911 -17.327 5.739 1.00 0.35 O ATOM 0 H GLU A 20 -7.859 -11.820 4.012 1.00 25.40 H new ATOM 0 HA GLU A 20 -9.330 -13.708 5.682 1.00 20.31 H new ATOM 0 HB2 GLU A 20 -7.669 -14.125 3.685 1.00 12.45 H new ATOM 0 HB3 GLU A 20 -6.406 -13.694 4.821 1.00 12.45 H new ATOM 0 HG2 GLU A 20 -6.606 -16.093 4.824 1.00 3.41 H new ATOM 0 HG3 GLU A 20 -7.208 -15.503 6.360 1.00 3.41 H new ATOM 300 N THR A 21 -7.053 -11.672 6.869 1.00 2.14 N ATOM 301 CA THR A 21 -6.268 -11.163 7.990 1.00 64.55 C ATOM 302 C THR A 21 -6.706 -9.729 8.324 1.00 1.13 C ATOM 303 O THR A 21 -7.717 -9.227 7.836 1.00 64.01 O ATOM 304 CB THR A 21 -4.753 -11.228 7.665 1.00 31.35 C ATOM 305 OG1 THR A 21 -4.423 -10.318 6.648 1.00 10.12 O ATOM 306 CG2 THR A 21 -4.243 -12.607 7.243 1.00 54.03 C ATOM 0 H THR A 21 -6.949 -11.087 6.040 1.00 2.14 H new ATOM 0 HA THR A 21 -6.445 -11.788 8.865 1.00 64.55 H new ATOM 0 HB THR A 21 -4.266 -10.976 8.607 1.00 31.35 H new ATOM 0 HG1 THR A 21 -4.883 -10.571 5.821 1.00 10.12 H new ATOM 0 HG21 THR A 21 -3.174 -12.552 7.037 1.00 54.03 H new ATOM 0 HG22 THR A 21 -4.422 -13.322 8.046 1.00 54.03 H new ATOM 0 HG23 THR A 21 -4.770 -12.931 6.345 1.00 54.03 H new ATOM 314 N ARG A 22 -5.953 -9.063 9.201 1.00 11.43 N ATOM 315 CA ARG A 22 -6.077 -7.658 9.563 1.00 71.34 C ATOM 316 C ARG A 22 -4.725 -7.012 9.298 1.00 55.44 C ATOM 317 O ARG A 22 -3.914 -6.820 10.210 1.00 21.42 O ATOM 318 CB ARG A 22 -6.547 -7.498 11.019 1.00 43.12 C ATOM 319 CG ARG A 22 -8.060 -7.678 11.163 1.00 52.22 C ATOM 320 CD ARG A 22 -8.550 -9.134 11.120 1.00 54.13 C ATOM 321 NE ARG A 22 -8.723 -9.733 12.448 1.00 31.40 N ATOM 322 CZ ARG A 22 -9.672 -9.466 13.347 1.00 51.34 C ATOM 323 NH1 ARG A 22 -10.583 -8.526 13.135 1.00 1.14 N ATOM 324 NH2 ARG A 22 -9.704 -10.142 14.480 1.00 33.14 N ATOM 0 H ARG A 22 -5.195 -9.522 9.706 1.00 11.43 H new ATOM 0 HA ARG A 22 -6.840 -7.160 8.965 1.00 71.34 H new ATOM 0 HB2 ARG A 22 -6.035 -8.228 11.646 1.00 43.12 H new ATOM 0 HB3 ARG A 22 -6.264 -6.510 11.383 1.00 43.12 H new ATOM 0 HG2 ARG A 22 -8.375 -7.233 12.107 1.00 52.22 H new ATOM 0 HG3 ARG A 22 -8.554 -7.121 10.367 1.00 52.22 H new ATOM 0 HD2 ARG A 22 -9.499 -9.174 10.586 1.00 54.13 H new ATOM 0 HD3 ARG A 22 -7.838 -9.732 10.550 1.00 54.13 H new ATOM 0 HE ARG A 22 -8.036 -10.438 12.716 1.00 31.40 H new ATOM 0 HH11 ARG A 22 -10.568 -7.988 12.269 1.00 1.14 H new ATOM 0 HH12 ARG A 22 -11.298 -8.341 13.838 1.00 1.14 H new ATOM 0 HH21 ARG A 22 -9.006 -10.863 14.664 1.00 33.14 H new ATOM 0 HH22 ARG A 22 -10.426 -9.943 15.172 1.00 33.14 H new ATOM 338 N LYS A 23 -4.462 -6.757 8.017 1.00 60.35 N ATOM 339 CA LYS A 23 -3.383 -5.904 7.525 1.00 40.01 C ATOM 340 C LYS A 23 -4.110 -4.777 6.780 1.00 11.35 C ATOM 341 O LYS A 23 -5.002 -5.075 5.992 1.00 13.33 O ATOM 342 CB LYS A 23 -2.433 -6.675 6.586 1.00 70.12 C ATOM 343 CG LYS A 23 -1.295 -7.438 7.296 1.00 20.10 C ATOM 344 CD LYS A 23 -1.730 -8.691 8.056 1.00 35.41 C ATOM 345 CE LYS A 23 -0.544 -9.387 8.725 1.00 23.33 C ATOM 346 NZ LYS A 23 0.022 -10.502 7.935 1.00 62.44 N ATOM 0 H LYS A 23 -5.019 -7.157 7.262 1.00 60.35 H new ATOM 0 HA LYS A 23 -2.749 -5.533 8.330 1.00 40.01 H new ATOM 0 HB2 LYS A 23 -3.019 -7.386 6.004 1.00 70.12 H new ATOM 0 HB3 LYS A 23 -1.993 -5.971 5.880 1.00 70.12 H new ATOM 0 HG2 LYS A 23 -0.551 -7.723 6.553 1.00 20.10 H new ATOM 0 HG3 LYS A 23 -0.805 -6.760 7.995 1.00 20.10 H new ATOM 0 HD2 LYS A 23 -2.467 -8.420 8.812 1.00 35.41 H new ATOM 0 HD3 LYS A 23 -2.217 -9.383 7.369 1.00 35.41 H new ATOM 0 HE2 LYS A 23 0.239 -8.652 8.909 1.00 23.33 H new ATOM 0 HE3 LYS A 23 -0.860 -9.767 9.697 1.00 23.33 H new ATOM 0 HZ1 LYS A 23 1.027 -10.623 8.175 1.00 62.44 H new ATOM 0 HZ2 LYS A 23 -0.494 -11.378 8.153 1.00 62.44 H new ATOM 0 HZ3 LYS A 23 -0.068 -10.290 6.921 1.00 62.44 H new ATOM 360 N LEU A 24 -3.823 -3.504 7.057 1.00 65.43 N ATOM 361 CA LEU A 24 -4.495 -2.379 6.398 1.00 40.23 C ATOM 362 C LEU A 24 -3.896 -2.196 5.003 1.00 3.34 C ATOM 363 O LEU A 24 -2.672 -2.261 4.875 1.00 4.15 O ATOM 364 CB LEU A 24 -4.290 -1.116 7.249 1.00 0.25 C ATOM 365 CG LEU A 24 -4.996 0.138 6.681 1.00 14.32 C ATOM 366 CD1 LEU A 24 -5.921 0.734 7.732 1.00 54.13 C ATOM 367 CD2 LEU A 24 -4.035 1.273 6.336 1.00 3.40 C ATOM 0 H LEU A 24 -3.121 -3.223 7.742 1.00 65.43 H new ATOM 0 HA LEU A 24 -5.564 -2.569 6.299 1.00 40.23 H new ATOM 0 HB2 LEU A 24 -4.659 -1.304 8.257 1.00 0.25 H new ATOM 0 HB3 LEU A 24 -3.222 -0.914 7.333 1.00 0.25 H new ATOM 0 HG LEU A 24 -5.510 -0.211 5.786 1.00 14.32 H new ATOM 0 HD11 LEU A 24 -6.414 1.616 7.324 1.00 54.13 H new ATOM 0 HD12 LEU A 24 -6.672 -0.003 8.016 1.00 54.13 H new ATOM 0 HD13 LEU A 24 -5.340 1.016 8.610 1.00 54.13 H new ATOM 0 HD21 LEU A 24 -4.598 2.120 5.943 1.00 3.40 H new ATOM 0 HD22 LEU A 24 -3.497 1.580 7.233 1.00 3.40 H new ATOM 0 HD23 LEU A 24 -3.323 0.931 5.585 1.00 3.40 H new ATOM 379 N MET A 25 -4.709 -1.886 3.989 1.00 72.40 N ATOM 380 CA MET A 25 -4.214 -1.664 2.633 1.00 21.51 C ATOM 381 C MET A 25 -4.394 -0.207 2.195 1.00 21.30 C ATOM 382 O MET A 25 -5.425 0.138 1.617 1.00 23.24 O ATOM 383 CB MET A 25 -4.741 -2.718 1.648 1.00 40.12 C ATOM 384 CG MET A 25 -4.117 -2.516 0.254 1.00 14.12 C ATOM 385 SD MET A 25 -3.568 -4.010 -0.631 1.00 60.13 S ATOM 386 CE MET A 25 -4.684 -3.981 -2.060 1.00 31.44 C ATOM 0 H MET A 25 -5.719 -1.783 4.086 1.00 72.40 H new ATOM 0 HA MET A 25 -3.135 -1.816 2.631 1.00 21.51 H new ATOM 0 HB2 MET A 25 -4.507 -3.717 2.016 1.00 40.12 H new ATOM 0 HB3 MET A 25 -5.827 -2.650 1.580 1.00 40.12 H new ATOM 0 HG2 MET A 25 -4.845 -2.000 -0.372 1.00 14.12 H new ATOM 0 HG3 MET A 25 -3.260 -1.851 0.360 1.00 14.12 H new ATOM 0 HE1 MET A 25 -4.832 -4.997 -2.427 1.00 31.44 H new ATOM 0 HE2 MET A 25 -5.644 -3.559 -1.763 1.00 31.44 H new ATOM 0 HE3 MET A 25 -4.248 -3.370 -2.850 1.00 31.44 H new ATOM 396 N PRO A 26 -3.448 0.696 2.506 1.00 72.31 N ATOM 397 CA PRO A 26 -3.534 2.071 2.043 1.00 2.30 C ATOM 398 C PRO A 26 -3.226 2.135 0.534 1.00 41.11 C ATOM 399 O PRO A 26 -2.334 1.425 0.056 1.00 1.34 O ATOM 400 CB PRO A 26 -2.509 2.808 2.899 1.00 21.02 C ATOM 401 CG PRO A 26 -1.391 1.782 3.071 1.00 30.22 C ATOM 402 CD PRO A 26 -2.147 0.452 3.121 1.00 61.13 C ATOM 0 HA PRO A 26 -4.522 2.518 2.148 1.00 2.30 H new ATOM 0 HB2 PRO A 26 -2.152 3.713 2.408 1.00 21.02 H new ATOM 0 HB3 PRO A 26 -2.929 3.110 3.859 1.00 21.02 H new ATOM 0 HG2 PRO A 26 -0.684 1.813 2.242 1.00 30.22 H new ATOM 0 HG3 PRO A 26 -0.820 1.956 3.983 1.00 30.22 H new ATOM 0 HD2 PRO A 26 -1.603 -0.325 2.584 1.00 61.13 H new ATOM 0 HD3 PRO A 26 -2.261 0.108 4.149 1.00 61.13 H new ATOM 410 N ILE A 27 -3.942 2.971 -0.223 1.00 45.44 N ATOM 411 CA ILE A 27 -3.932 3.014 -1.692 1.00 34.34 C ATOM 412 C ILE A 27 -3.998 4.484 -2.131 1.00 14.05 C ATOM 413 O ILE A 27 -4.768 5.264 -1.568 1.00 23.14 O ATOM 414 CB ILE A 27 -5.125 2.175 -2.228 1.00 23.40 C ATOM 415 CG1 ILE A 27 -4.812 0.663 -2.097 1.00 71.22 C ATOM 416 CG2 ILE A 27 -5.490 2.509 -3.689 1.00 31.23 C ATOM 417 CD1 ILE A 27 -6.049 -0.229 -2.163 1.00 33.50 C ATOM 0 H ILE A 27 -4.570 3.664 0.184 1.00 45.44 H new ATOM 0 HA ILE A 27 -3.020 2.581 -2.103 1.00 34.34 H new ATOM 0 HB ILE A 27 -5.990 2.434 -1.617 1.00 23.40 H new ATOM 0 HG12 ILE A 27 -4.124 0.374 -2.891 1.00 71.22 H new ATOM 0 HG13 ILE A 27 -4.299 0.488 -1.151 1.00 71.22 H new ATOM 0 HG21 ILE A 27 -6.330 1.890 -4.005 1.00 31.23 H new ATOM 0 HG22 ILE A 27 -5.766 3.561 -3.764 1.00 31.23 H new ATOM 0 HG23 ILE A 27 -4.632 2.312 -4.332 1.00 31.23 H new ATOM 0 HD11 ILE A 27 -5.751 -1.273 -2.064 1.00 33.50 H new ATOM 0 HD12 ILE A 27 -6.730 0.032 -1.353 1.00 33.50 H new ATOM 0 HD13 ILE A 27 -6.551 -0.084 -3.119 1.00 33.50 H new ATOM 429 N CYS A 28 -3.225 4.851 -3.154 1.00 20.04 N ATOM 430 CA CYS A 28 -3.278 6.162 -3.776 1.00 0.11 C ATOM 431 C CYS A 28 -4.551 6.224 -4.614 1.00 14.42 C ATOM 432 O CYS A 28 -4.758 5.398 -5.506 1.00 60.23 O ATOM 433 CB CYS A 28 -2.039 6.360 -4.659 1.00 44.54 C ATOM 434 SG CYS A 28 -2.084 7.976 -5.489 1.00 12.14 S ATOM 0 H CYS A 28 -2.535 4.230 -3.576 1.00 20.04 H new ATOM 0 HA CYS A 28 -3.288 6.952 -3.025 1.00 0.11 H new ATOM 0 HB2 CYS A 28 -1.138 6.285 -4.050 1.00 44.54 H new ATOM 0 HB3 CYS A 28 -1.988 5.566 -5.404 1.00 44.54 H new ATOM 0 HG CYS A 28 -1.022 8.115 -6.226 1.00 12.14 H new ATOM 440 N MET A 29 -5.381 7.237 -4.376 1.00 25.53 N ATOM 441 CA MET A 29 -6.606 7.517 -5.094 1.00 32.13 C ATOM 442 C MET A 29 -6.394 7.745 -6.589 1.00 30.53 C ATOM 443 O MET A 29 -7.381 7.736 -7.322 1.00 12.22 O ATOM 444 CB MET A 29 -7.212 8.770 -4.467 1.00 32.51 C ATOM 445 CG MET A 29 -7.598 8.499 -3.016 1.00 63.21 C ATOM 446 SD MET A 29 -8.068 9.983 -2.120 1.00 40.33 S ATOM 447 CE MET A 29 -9.707 10.152 -2.836 1.00 3.54 C ATOM 0 H MET A 29 -5.201 7.916 -3.637 1.00 25.53 H new ATOM 0 HA MET A 29 -7.262 6.651 -5.013 1.00 32.13 H new ATOM 0 HB2 MET A 29 -6.497 9.591 -4.513 1.00 32.51 H new ATOM 0 HB3 MET A 29 -8.090 9.080 -5.033 1.00 32.51 H new ATOM 0 HG2 MET A 29 -8.426 7.791 -2.993 1.00 63.21 H new ATOM 0 HG3 MET A 29 -6.759 8.025 -2.506 1.00 63.21 H new ATOM 0 HE1 MET A 29 -10.251 10.941 -2.317 1.00 3.54 H new ATOM 0 HE2 MET A 29 -9.618 10.407 -3.892 1.00 3.54 H new ATOM 0 HE3 MET A 29 -10.247 9.211 -2.734 1.00 3.54 H new ATOM 457 N ASP A 30 -5.163 7.968 -7.051 1.00 32.51 N ATOM 458 CA ASP A 30 -4.872 8.219 -8.461 1.00 34.31 C ATOM 459 C ASP A 30 -4.726 6.939 -9.252 1.00 54.30 C ATOM 460 O ASP A 30 -4.986 6.957 -10.453 1.00 3.13 O ATOM 461 CB ASP A 30 -3.595 9.058 -8.598 1.00 11.42 C ATOM 462 CG ASP A 30 -3.629 9.914 -9.861 1.00 35.33 C ATOM 463 OD1 ASP A 30 -4.374 10.924 -9.841 1.00 11.00 O ATOM 464 OD2 ASP A 30 -2.892 9.633 -10.835 1.00 22.03 O ATOM 0 H ASP A 30 -4.336 7.979 -6.454 1.00 32.51 H new ATOM 0 HA ASP A 30 -5.720 8.767 -8.871 1.00 34.31 H new ATOM 0 HB2 ASP A 30 -3.483 9.699 -7.724 1.00 11.42 H new ATOM 0 HB3 ASP A 30 -2.726 8.401 -8.625 1.00 11.42 H new ATOM 469 N VAL A 31 -4.400 5.817 -8.607 1.00 73.12 N ATOM 470 CA VAL A 31 -4.064 4.603 -9.328 1.00 42.10 C ATOM 471 C VAL A 31 -5.351 3.943 -9.827 1.00 52.52 C ATOM 472 O VAL A 31 -5.928 3.081 -9.162 1.00 34.11 O ATOM 473 CB VAL A 31 -3.170 3.679 -8.469 1.00 32.51 C ATOM 474 CG1 VAL A 31 -2.716 2.427 -9.235 1.00 1.12 C ATOM 475 CG2 VAL A 31 -1.898 4.401 -8.004 1.00 22.32 C ATOM 0 H VAL A 31 -4.364 5.731 -7.591 1.00 73.12 H new ATOM 0 HA VAL A 31 -3.465 4.836 -10.208 1.00 42.10 H new ATOM 0 HB VAL A 31 -3.788 3.392 -7.618 1.00 32.51 H new ATOM 0 HG11 VAL A 31 -2.091 1.811 -8.588 1.00 1.12 H new ATOM 0 HG12 VAL A 31 -3.590 1.855 -9.547 1.00 1.12 H new ATOM 0 HG13 VAL A 31 -2.145 2.725 -10.114 1.00 1.12 H new ATOM 0 HG21 VAL A 31 -1.293 3.722 -7.403 1.00 22.32 H new ATOM 0 HG22 VAL A 31 -1.325 4.725 -8.873 1.00 22.32 H new ATOM 0 HG23 VAL A 31 -2.171 5.270 -7.405 1.00 22.32 H new ATOM 485 N ARG A 32 -5.804 4.365 -11.010 1.00 34.32 N ATOM 486 CA ARG A 32 -6.987 3.853 -11.688 1.00 1.25 C ATOM 487 C ARG A 32 -6.934 2.338 -11.827 1.00 74.24 C ATOM 488 O ARG A 32 -7.963 1.679 -11.682 1.00 64.42 O ATOM 489 CB ARG A 32 -7.150 4.548 -13.053 1.00 61.53 C ATOM 490 CG ARG A 32 -8.629 4.779 -13.391 1.00 33.03 C ATOM 491 CD ARG A 32 -9.164 6.031 -12.686 1.00 31.55 C ATOM 492 NE ARG A 32 -8.776 7.261 -13.388 1.00 73.15 N ATOM 493 CZ ARG A 32 -8.833 8.501 -12.898 1.00 44.32 C ATOM 494 NH1 ARG A 32 -9.044 8.723 -11.608 1.00 63.12 N ATOM 495 NH2 ARG A 32 -8.673 9.514 -13.729 1.00 32.03 N ATOM 0 H ARG A 32 -5.335 5.101 -11.538 1.00 34.32 H new ATOM 0 HA ARG A 32 -7.864 4.081 -11.082 1.00 1.25 H new ATOM 0 HB2 ARG A 32 -6.624 5.503 -13.042 1.00 61.53 H new ATOM 0 HB3 ARG A 32 -6.688 3.939 -13.830 1.00 61.53 H new ATOM 0 HG2 ARG A 32 -8.747 4.886 -14.469 1.00 33.03 H new ATOM 0 HG3 ARG A 32 -9.214 3.910 -13.091 1.00 33.03 H new ATOM 0 HD2 ARG A 32 -10.251 5.976 -12.623 1.00 31.55 H new ATOM 0 HD3 ARG A 32 -8.787 6.062 -11.664 1.00 31.55 H new ATOM 0 HE ARG A 32 -8.430 7.158 -14.342 1.00 73.15 H new ATOM 0 HH11 ARG A 32 -9.166 7.938 -10.969 1.00 63.12 H new ATOM 0 HH12 ARG A 32 -9.084 9.679 -11.255 1.00 63.12 H new ATOM 0 HH21 ARG A 32 -8.510 9.339 -14.721 1.00 32.03 H new ATOM 0 HH22 ARG A 32 -8.712 10.471 -13.379 1.00 32.03 H new ATOM 509 N ALA A 33 -5.736 1.796 -12.052 1.00 12.52 N ATOM 510 CA ALA A 33 -5.507 0.372 -12.183 1.00 23.20 C ATOM 511 C ALA A 33 -6.049 -0.392 -10.975 1.00 55.53 C ATOM 512 O ALA A 33 -6.817 -1.343 -11.121 1.00 70.42 O ATOM 513 CB ALA A 33 -4.001 0.124 -12.355 1.00 71.40 C ATOM 0 H ALA A 33 -4.887 2.353 -12.149 1.00 12.52 H new ATOM 0 HA ALA A 33 -6.041 0.005 -13.060 1.00 23.20 H new ATOM 0 HB1 ALA A 33 -3.817 -0.946 -12.455 1.00 71.40 H new ATOM 0 HB2 ALA A 33 -3.647 0.638 -13.249 1.00 71.40 H new ATOM 0 HB3 ALA A 33 -3.468 0.504 -11.484 1.00 71.40 H new ATOM 519 N ILE A 34 -5.637 0.024 -9.781 1.00 22.21 N ATOM 520 CA ILE A 34 -6.071 -0.549 -8.519 1.00 1.43 C ATOM 521 C ILE A 34 -7.543 -0.211 -8.329 1.00 20.44 C ATOM 522 O ILE A 34 -8.346 -1.106 -8.063 1.00 63.23 O ATOM 523 CB ILE A 34 -5.149 -0.054 -7.392 1.00 21.44 C ATOM 524 CG1 ILE A 34 -3.829 -0.820 -7.605 1.00 5.52 C ATOM 525 CG2 ILE A 34 -5.754 -0.273 -5.996 1.00 11.34 C ATOM 526 CD1 ILE A 34 -2.874 -0.737 -6.438 1.00 62.23 C ATOM 0 H ILE A 34 -4.974 0.790 -9.666 1.00 22.21 H new ATOM 0 HA ILE A 34 -5.991 -1.636 -8.506 1.00 1.43 H new ATOM 0 HB ILE A 34 -4.996 1.024 -7.434 1.00 21.44 H new ATOM 0 HG12 ILE A 34 -4.057 -1.868 -7.801 1.00 5.52 H new ATOM 0 HG13 ILE A 34 -3.334 -0.430 -8.494 1.00 5.52 H new ATOM 0 HG21 ILE A 34 -5.062 0.094 -5.238 1.00 11.34 H new ATOM 0 HG22 ILE A 34 -6.697 0.268 -5.919 1.00 11.34 H new ATOM 0 HG23 ILE A 34 -5.932 -1.337 -5.840 1.00 11.34 H new ATOM 0 HD11 ILE A 34 -1.970 -1.302 -6.667 1.00 62.23 H new ATOM 0 HD12 ILE A 34 -2.614 0.305 -6.254 1.00 62.23 H new ATOM 0 HD13 ILE A 34 -3.348 -1.155 -5.550 1.00 62.23 H new ATOM 538 N MET A 35 -7.892 1.070 -8.474 1.00 41.11 N ATOM 539 CA MET A 35 -9.224 1.615 -8.253 1.00 12.11 C ATOM 540 C MET A 35 -10.315 0.758 -8.907 1.00 70.22 C ATOM 541 O MET A 35 -11.335 0.472 -8.271 1.00 13.53 O ATOM 542 CB MET A 35 -9.254 3.055 -8.779 1.00 51.42 C ATOM 543 CG MET A 35 -10.549 3.770 -8.403 1.00 60.04 C ATOM 544 SD MET A 35 -10.407 5.338 -7.505 1.00 14.14 S ATOM 545 CE MET A 35 -9.321 4.884 -6.120 1.00 11.41 C ATOM 0 H MET A 35 -7.221 1.782 -8.761 1.00 41.11 H new ATOM 0 HA MET A 35 -9.437 1.608 -7.184 1.00 12.11 H new ATOM 0 HB2 MET A 35 -8.404 3.607 -8.376 1.00 51.42 H new ATOM 0 HB3 MET A 35 -9.145 3.048 -9.863 1.00 51.42 H new ATOM 0 HG2 MET A 35 -11.109 3.956 -9.319 1.00 60.04 H new ATOM 0 HG3 MET A 35 -11.146 3.088 -7.798 1.00 60.04 H new ATOM 0 HE1 MET A 35 -9.457 5.593 -5.304 1.00 11.41 H new ATOM 0 HE2 MET A 35 -9.572 3.881 -5.775 1.00 11.41 H new ATOM 0 HE3 MET A 35 -8.282 4.905 -6.450 1.00 11.41 H new ATOM 555 N ALA A 36 -10.093 0.310 -10.148 1.00 24.13 N ATOM 556 CA ALA A 36 -11.038 -0.519 -10.879 1.00 13.11 C ATOM 557 C ALA A 36 -11.395 -1.796 -10.119 1.00 65.14 C ATOM 558 O ALA A 36 -12.561 -2.197 -10.118 1.00 1.24 O ATOM 559 CB ALA A 36 -10.445 -0.914 -12.232 1.00 51.32 C ATOM 0 H ALA A 36 -9.243 0.519 -10.671 1.00 24.13 H new ATOM 0 HA ALA A 36 -11.945 0.072 -11.009 1.00 13.11 H new ATOM 0 HB1 ALA A 36 -11.158 -1.535 -12.774 1.00 51.32 H new ATOM 0 HB2 ALA A 36 -10.231 -0.016 -12.812 1.00 51.32 H new ATOM 0 HB3 ALA A 36 -9.522 -1.473 -12.076 1.00 51.32 H new ATOM 565 N THR A 37 -10.414 -2.452 -9.492 1.00 3.24 N ATOM 566 CA THR A 37 -10.658 -3.669 -8.738 1.00 41.20 C ATOM 567 C THR A 37 -11.589 -3.387 -7.570 1.00 13.32 C ATOM 568 O THR A 37 -12.557 -4.132 -7.404 1.00 53.22 O ATOM 569 CB THR A 37 -9.336 -4.335 -8.313 1.00 55.01 C ATOM 570 OG1 THR A 37 -8.728 -4.888 -9.467 1.00 60.11 O ATOM 571 CG2 THR A 37 -9.559 -5.435 -7.269 1.00 25.40 C ATOM 0 H THR A 37 -9.439 -2.152 -9.497 1.00 3.24 H new ATOM 0 HA THR A 37 -11.164 -4.391 -9.379 1.00 41.20 H new ATOM 0 HB THR A 37 -8.695 -3.581 -7.856 1.00 55.01 H new ATOM 0 HG1 THR A 37 -7.882 -5.316 -9.218 1.00 60.11 H new ATOM 0 HG21 THR A 37 -8.601 -5.878 -6.997 1.00 25.40 H new ATOM 0 HG22 THR A 37 -10.025 -5.006 -6.382 1.00 25.40 H new ATOM 0 HG23 THR A 37 -10.210 -6.204 -7.684 1.00 25.40 H new ATOM 579 N ILE A 38 -11.335 -2.327 -6.797 1.00 63.02 N ATOM 580 CA ILE A 38 -12.176 -1.975 -5.661 1.00 61.50 C ATOM 581 C ILE A 38 -13.592 -1.754 -6.161 1.00 22.22 C ATOM 582 O ILE A 38 -14.479 -2.465 -5.714 1.00 13.13 O ATOM 583 CB ILE A 38 -11.618 -0.753 -4.911 1.00 62.35 C ATOM 584 CG1 ILE A 38 -10.258 -1.106 -4.277 1.00 20.02 C ATOM 585 CG2 ILE A 38 -12.560 -0.202 -3.824 1.00 3.11 C ATOM 586 CD1 ILE A 38 -9.179 -0.200 -4.853 1.00 24.42 C ATOM 0 H ILE A 38 -10.546 -1.697 -6.943 1.00 63.02 H new ATOM 0 HA ILE A 38 -12.184 -2.789 -4.936 1.00 61.50 H new ATOM 0 HB ILE A 38 -11.509 0.035 -5.656 1.00 62.35 H new ATOM 0 HG12 ILE A 38 -10.308 -0.988 -3.195 1.00 20.02 H new ATOM 0 HG13 ILE A 38 -10.014 -2.150 -4.472 1.00 20.02 H new ATOM 0 HG21 ILE A 38 -12.095 0.658 -3.342 1.00 3.11 H new ATOM 0 HG22 ILE A 38 -13.502 0.103 -4.279 1.00 3.11 H new ATOM 0 HG23 ILE A 38 -12.750 -0.976 -3.081 1.00 3.11 H new ATOM 0 HD11 ILE A 38 -8.217 -0.449 -4.405 1.00 24.42 H new ATOM 0 HD12 ILE A 38 -9.124 -0.341 -5.932 1.00 24.42 H new ATOM 0 HD13 ILE A 38 -9.422 0.840 -4.635 1.00 24.42 H new ATOM 598 N GLN A 39 -13.799 -0.841 -7.112 1.00 23.20 N ATOM 599 CA GLN A 39 -15.140 -0.450 -7.542 1.00 50.51 C ATOM 600 C GLN A 39 -15.914 -1.582 -8.246 1.00 71.41 C ATOM 601 O GLN A 39 -17.125 -1.470 -8.467 1.00 75.24 O ATOM 602 CB GLN A 39 -15.043 0.780 -8.446 1.00 55.10 C ATOM 603 CG GLN A 39 -14.572 2.012 -7.669 1.00 2.41 C ATOM 604 CD GLN A 39 -14.596 3.262 -8.540 1.00 10.52 C ATOM 605 OE1 GLN A 39 -15.521 3.516 -9.307 1.00 75.21 O ATOM 606 NE2 GLN A 39 -13.586 4.100 -8.438 1.00 33.33 N ATOM 0 H GLN A 39 -13.047 -0.356 -7.602 1.00 23.20 H new ATOM 0 HA GLN A 39 -15.711 -0.214 -6.644 1.00 50.51 H new ATOM 0 HB2 GLN A 39 -14.351 0.578 -9.264 1.00 55.10 H new ATOM 0 HB3 GLN A 39 -16.016 0.981 -8.894 1.00 55.10 H new ATOM 0 HG2 GLN A 39 -15.211 2.161 -6.799 1.00 2.41 H new ATOM 0 HG3 GLN A 39 -13.561 1.845 -7.298 1.00 2.41 H new ATOM 0 HE21 GLN A 39 -12.815 3.894 -7.803 1.00 33.33 H new ATOM 0 HE22 GLN A 39 -13.574 4.955 -8.994 1.00 33.33 H new ATOM 615 N ARG A 40 -15.235 -2.662 -8.648 1.00 23.51 N ATOM 616 CA ARG A 40 -15.844 -3.925 -9.054 1.00 75.11 C ATOM 617 C ARG A 40 -16.255 -4.731 -7.824 1.00 20.30 C ATOM 618 O ARG A 40 -17.440 -5.003 -7.616 1.00 4.13 O ATOM 619 CB ARG A 40 -14.854 -4.686 -9.969 1.00 14.02 C ATOM 620 CG ARG A 40 -15.029 -4.127 -11.381 1.00 34.33 C ATOM 621 CD ARG A 40 -14.161 -4.773 -12.471 1.00 33.51 C ATOM 622 NE ARG A 40 -14.778 -4.590 -13.801 1.00 0.40 N ATOM 623 CZ ARG A 40 -15.180 -3.428 -14.339 1.00 34.00 C ATOM 624 NH1 ARG A 40 -14.748 -2.268 -13.858 1.00 54.41 N ATOM 625 NH2 ARG A 40 -16.044 -3.437 -15.344 1.00 24.14 N ATOM 0 H ARG A 40 -14.216 -2.678 -8.700 1.00 23.51 H new ATOM 0 HA ARG A 40 -16.756 -3.746 -9.624 1.00 75.11 H new ATOM 0 HB2 ARG A 40 -13.829 -4.550 -9.625 1.00 14.02 H new ATOM 0 HB3 ARG A 40 -15.057 -5.757 -9.950 1.00 14.02 H new ATOM 0 HG2 ARG A 40 -16.076 -4.234 -11.666 1.00 34.33 H new ATOM 0 HG3 ARG A 40 -14.813 -3.059 -11.357 1.00 34.33 H new ATOM 0 HD2 ARG A 40 -13.165 -4.329 -12.462 1.00 33.51 H new ATOM 0 HD3 ARG A 40 -14.038 -5.836 -12.264 1.00 33.51 H new ATOM 0 HE ARG A 40 -14.912 -5.429 -14.366 1.00 0.40 H new ATOM 0 HH11 ARG A 40 -14.102 -2.252 -13.069 1.00 54.41 H new ATOM 0 HH12 ARG A 40 -15.062 -1.393 -14.278 1.00 54.41 H new ATOM 0 HH21 ARG A 40 -16.399 -4.323 -15.704 1.00 24.14 H new ATOM 0 HH22 ARG A 40 -16.354 -2.558 -15.758 1.00 24.14 H new ATOM 639 N LYS A 41 -15.258 -5.128 -7.030 1.00 52.45 N ATOM 640 CA LYS A 41 -15.391 -6.030 -5.895 1.00 64.50 C ATOM 641 C LYS A 41 -16.411 -5.493 -4.894 1.00 0.14 C ATOM 642 O LYS A 41 -17.249 -6.242 -4.395 1.00 21.34 O ATOM 643 CB LYS A 41 -14.004 -6.195 -5.265 1.00 34.41 C ATOM 644 CG LYS A 41 -13.784 -7.521 -4.544 1.00 51.24 C ATOM 645 CD LYS A 41 -14.796 -7.951 -3.475 1.00 13.42 C ATOM 646 CE LYS A 41 -14.028 -8.920 -2.559 1.00 52.43 C ATOM 647 NZ LYS A 41 -14.849 -9.647 -1.584 1.00 10.21 N ATOM 0 H LYS A 41 -14.298 -4.814 -7.170 1.00 52.45 H new ATOM 0 HA LYS A 41 -15.761 -7.003 -6.219 1.00 64.50 H new ATOM 0 HB2 LYS A 41 -13.251 -6.093 -6.046 1.00 34.41 H new ATOM 0 HB3 LYS A 41 -13.842 -5.381 -4.558 1.00 34.41 H new ATOM 0 HG2 LYS A 41 -13.746 -8.306 -5.299 1.00 51.24 H new ATOM 0 HG3 LYS A 41 -12.801 -7.483 -4.074 1.00 51.24 H new ATOM 0 HD2 LYS A 41 -15.168 -7.092 -2.916 1.00 13.42 H new ATOM 0 HD3 LYS A 41 -15.662 -8.437 -3.925 1.00 13.42 H new ATOM 0 HE2 LYS A 41 -13.506 -9.646 -3.182 1.00 52.43 H new ATOM 0 HE3 LYS A 41 -13.266 -8.357 -2.020 1.00 52.43 H new ATOM 0 HZ1 LYS A 41 -14.474 -9.488 -0.627 1.00 10.21 H new ATOM 0 HZ2 LYS A 41 -15.830 -9.305 -1.633 1.00 10.21 H new ATOM 0 HZ3 LYS A 41 -14.826 -10.664 -1.800 1.00 10.21 H new ATOM 661 N TYR A 42 -16.304 -4.210 -4.578 1.00 33.23 N ATOM 662 CA TYR A 42 -16.999 -3.496 -3.535 1.00 54.02 C ATOM 663 C TYR A 42 -17.770 -2.337 -4.190 1.00 2.22 C ATOM 664 O TYR A 42 -17.213 -1.626 -5.026 1.00 61.22 O ATOM 665 CB TYR A 42 -15.963 -2.929 -2.555 1.00 10.21 C ATOM 666 CG TYR A 42 -14.957 -3.920 -2.002 1.00 13.32 C ATOM 667 CD1 TYR A 42 -15.328 -4.890 -1.050 1.00 32.54 C ATOM 668 CD2 TYR A 42 -13.632 -3.872 -2.469 1.00 60.05 C ATOM 669 CE1 TYR A 42 -14.381 -5.843 -0.612 1.00 3.55 C ATOM 670 CE2 TYR A 42 -12.687 -4.818 -2.043 1.00 4.31 C ATOM 671 CZ TYR A 42 -13.059 -5.820 -1.124 1.00 51.55 C ATOM 672 OH TYR A 42 -12.147 -6.778 -0.806 1.00 12.41 O ATOM 0 H TYR A 42 -15.673 -3.597 -5.094 1.00 33.23 H new ATOM 0 HA TYR A 42 -17.685 -4.153 -3.001 1.00 54.02 H new ATOM 0 HB2 TYR A 42 -15.417 -2.130 -3.057 1.00 10.21 H new ATOM 0 HB3 TYR A 42 -16.494 -2.476 -1.718 1.00 10.21 H new ATOM 0 HD1 TYR A 42 -16.333 -4.905 -0.656 1.00 32.54 H new ATOM 0 HD2 TYR A 42 -13.338 -3.099 -3.163 1.00 60.05 H new ATOM 0 HE1 TYR A 42 -14.665 -6.590 0.114 1.00 3.55 H new ATOM 0 HE2 TYR A 42 -11.675 -4.778 -2.419 1.00 4.31 H new ATOM 0 HH TYR A 42 -12.544 -7.409 -0.170 1.00 12.41 H new ATOM 682 N LYS A 43 -19.022 -2.084 -3.796 1.00 43.32 N ATOM 683 CA LYS A 43 -19.836 -0.961 -4.293 1.00 71.51 C ATOM 684 C LYS A 43 -20.341 -0.037 -3.187 1.00 21.15 C ATOM 685 O LYS A 43 -20.451 1.168 -3.417 1.00 23.21 O ATOM 686 CB LYS A 43 -21.023 -1.487 -5.117 1.00 44.22 C ATOM 687 CG LYS A 43 -20.551 -2.349 -6.298 1.00 41.44 C ATOM 688 CD LYS A 43 -21.681 -2.746 -7.255 1.00 72.40 C ATOM 689 CE LYS A 43 -22.301 -1.525 -7.950 1.00 13.12 C ATOM 690 NZ LYS A 43 -23.304 -1.901 -8.967 1.00 61.03 N ATOM 0 H LYS A 43 -19.510 -2.661 -3.111 1.00 43.32 H new ATOM 0 HA LYS A 43 -19.177 -0.363 -4.923 1.00 71.51 H new ATOM 0 HB2 LYS A 43 -21.680 -2.075 -4.476 1.00 44.22 H new ATOM 0 HB3 LYS A 43 -21.609 -0.647 -5.490 1.00 44.22 H new ATOM 0 HG2 LYS A 43 -19.789 -1.803 -6.855 1.00 41.44 H new ATOM 0 HG3 LYS A 43 -20.078 -3.252 -5.912 1.00 41.44 H new ATOM 0 HD2 LYS A 43 -21.294 -3.434 -8.007 1.00 72.40 H new ATOM 0 HD3 LYS A 43 -22.454 -3.280 -6.702 1.00 72.40 H new ATOM 0 HE2 LYS A 43 -22.769 -0.884 -7.203 1.00 13.12 H new ATOM 0 HE3 LYS A 43 -21.512 -0.940 -8.422 1.00 13.12 H new ATOM 0 HZ1 LYS A 43 -23.692 -1.042 -9.406 1.00 61.03 H new ATOM 0 HZ2 LYS A 43 -22.855 -2.490 -9.697 1.00 61.03 H new ATOM 0 HZ3 LYS A 43 -24.073 -2.436 -8.515 1.00 61.03 H new ATOM 704 N GLY A 44 -20.606 -0.555 -1.982 1.00 34.52 N ATOM 705 CA GLY A 44 -21.049 0.266 -0.846 1.00 3.03 C ATOM 706 C GLY A 44 -19.999 1.287 -0.389 1.00 14.34 C ATOM 707 O GLY A 44 -20.341 2.295 0.227 1.00 34.33 O ATOM 0 H GLY A 44 -20.521 -1.548 -1.766 1.00 34.52 H new ATOM 0 HA2 GLY A 44 -21.962 0.793 -1.122 1.00 3.03 H new ATOM 0 HA3 GLY A 44 -21.298 -0.387 -0.010 1.00 3.03 H new ATOM 711 N ILE A 45 -18.735 1.055 -0.742 1.00 53.41 N ATOM 712 CA ILE A 45 -17.590 1.928 -0.526 1.00 50.33 C ATOM 713 C ILE A 45 -17.854 3.344 -1.067 1.00 71.04 C ATOM 714 O ILE A 45 -18.500 3.499 -2.108 1.00 13.53 O ATOM 715 CB ILE A 45 -16.341 1.252 -1.149 1.00 64.31 C ATOM 716 CG1 ILE A 45 -15.083 2.145 -1.212 1.00 41.11 C ATOM 717 CG2 ILE A 45 -16.595 0.574 -2.511 1.00 0.11 C ATOM 718 CD1 ILE A 45 -14.873 2.948 -2.498 1.00 75.45 C ATOM 0 H ILE A 45 -18.470 0.193 -1.218 1.00 53.41 H new ATOM 0 HA ILE A 45 -17.410 2.064 0.540 1.00 50.33 H new ATOM 0 HB ILE A 45 -16.127 0.461 -0.430 1.00 64.31 H new ATOM 0 HG12 ILE A 45 -15.120 2.844 -0.377 1.00 41.11 H new ATOM 0 HG13 ILE A 45 -14.209 1.512 -1.060 1.00 41.11 H new ATOM 0 HG21 ILE A 45 -15.669 0.127 -2.873 1.00 0.11 H new ATOM 0 HG22 ILE A 45 -17.351 -0.202 -2.396 1.00 0.11 H new ATOM 0 HG23 ILE A 45 -16.944 1.317 -3.228 1.00 0.11 H new ATOM 0 HD11 ILE A 45 -13.957 3.533 -2.416 1.00 75.45 H new ATOM 0 HD12 ILE A 45 -14.794 2.266 -3.344 1.00 75.45 H new ATOM 0 HD13 ILE A 45 -15.719 3.618 -2.651 1.00 75.45 H new ATOM 730 N LYS A 46 -17.282 4.372 -0.432 1.00 1.00 N ATOM 731 CA LYS A 46 -17.280 5.759 -0.899 1.00 40.12 C ATOM 732 C LYS A 46 -15.832 6.152 -1.186 1.00 43.51 C ATOM 733 O LYS A 46 -14.944 5.852 -0.389 1.00 0.51 O ATOM 734 CB LYS A 46 -17.918 6.630 0.197 1.00 41.43 C ATOM 735 CG LYS A 46 -18.122 8.110 -0.178 1.00 14.02 C ATOM 736 CD LYS A 46 -17.150 9.063 0.523 1.00 11.55 C ATOM 737 CE LYS A 46 -17.527 10.510 0.163 1.00 54.34 C ATOM 738 NZ LYS A 46 -16.566 11.518 0.658 1.00 0.41 N ATOM 0 H LYS A 46 -16.790 4.255 0.454 1.00 1.00 H new ATOM 0 HA LYS A 46 -17.857 5.894 -1.814 1.00 40.12 H new ATOM 0 HB2 LYS A 46 -18.885 6.202 0.462 1.00 41.43 H new ATOM 0 HB3 LYS A 46 -17.293 6.580 1.088 1.00 41.43 H new ATOM 0 HG2 LYS A 46 -18.011 8.221 -1.257 1.00 14.02 H new ATOM 0 HG3 LYS A 46 -19.143 8.401 0.069 1.00 14.02 H new ATOM 0 HD2 LYS A 46 -17.193 8.919 1.603 1.00 11.55 H new ATOM 0 HD3 LYS A 46 -16.126 8.852 0.214 1.00 11.55 H new ATOM 0 HE2 LYS A 46 -17.604 10.597 -0.921 1.00 54.34 H new ATOM 0 HE3 LYS A 46 -18.513 10.731 0.571 1.00 54.34 H new ATOM 0 HZ1 LYS A 46 -17.015 12.456 0.656 1.00 0.41 H new ATOM 0 HZ2 LYS A 46 -16.276 11.275 1.627 1.00 0.41 H new ATOM 0 HZ3 LYS A 46 -15.730 11.533 0.040 1.00 0.41 H new ATOM 752 N ILE A 47 -15.568 6.808 -2.319 1.00 31.05 N ATOM 753 CA ILE A 47 -14.242 7.354 -2.605 1.00 33.14 C ATOM 754 C ILE A 47 -14.104 8.638 -1.771 1.00 74.01 C ATOM 755 O ILE A 47 -14.925 9.551 -1.928 1.00 33.42 O ATOM 756 CB ILE A 47 -14.050 7.625 -4.120 1.00 72.43 C ATOM 757 CG1 ILE A 47 -14.483 6.479 -5.072 1.00 62.22 C ATOM 758 CG2 ILE A 47 -12.588 8.012 -4.399 1.00 65.22 C ATOM 759 CD1 ILE A 47 -13.659 5.190 -4.978 1.00 21.54 C ATOM 0 H ILE A 47 -16.257 6.973 -3.053 1.00 31.05 H new ATOM 0 HA ILE A 47 -13.464 6.639 -2.337 1.00 33.14 H new ATOM 0 HB ILE A 47 -14.730 8.446 -4.346 1.00 72.43 H new ATOM 0 HG12 ILE A 47 -15.526 6.237 -4.869 1.00 62.22 H new ATOM 0 HG13 ILE A 47 -14.435 6.845 -6.097 1.00 62.22 H new ATOM 0 HG21 ILE A 47 -12.459 8.201 -5.465 1.00 65.22 H new ATOM 0 HG22 ILE A 47 -12.336 8.912 -3.838 1.00 65.22 H new ATOM 0 HG23 ILE A 47 -11.931 7.198 -4.093 1.00 65.22 H new ATOM 0 HD11 ILE A 47 -14.047 4.457 -5.686 1.00 21.54 H new ATOM 0 HD12 ILE A 47 -12.617 5.406 -5.215 1.00 21.54 H new ATOM 0 HD13 ILE A 47 -13.726 4.788 -3.967 1.00 21.54 H new ATOM 771 N GLN A 48 -13.104 8.707 -0.890 1.00 21.25 N ATOM 772 CA GLN A 48 -12.723 9.872 -0.091 1.00 21.12 C ATOM 773 C GLN A 48 -11.229 9.828 0.195 1.00 2.51 C ATOM 774 O GLN A 48 -10.605 8.817 -0.085 1.00 52.51 O ATOM 775 CB GLN A 48 -13.501 9.897 1.232 1.00 23.13 C ATOM 776 CG GLN A 48 -13.333 8.640 2.110 1.00 63.03 C ATOM 777 CD GLN A 48 -13.841 8.879 3.529 1.00 50.22 C ATOM 778 OE1 GLN A 48 -14.736 8.195 4.012 1.00 22.55 O ATOM 779 NE2 GLN A 48 -13.296 9.886 4.202 1.00 35.51 N ATOM 0 H GLN A 48 -12.504 7.904 -0.705 1.00 21.25 H new ATOM 0 HA GLN A 48 -12.962 10.775 -0.653 1.00 21.12 H new ATOM 0 HB2 GLN A 48 -13.184 10.768 1.806 1.00 23.13 H new ATOM 0 HB3 GLN A 48 -14.560 10.029 1.011 1.00 23.13 H new ATOM 0 HG2 GLN A 48 -13.876 7.807 1.663 1.00 63.03 H new ATOM 0 HG3 GLN A 48 -12.282 8.355 2.142 1.00 63.03 H new ATOM 0 HE21 GLN A 48 -12.552 10.440 3.777 1.00 35.51 H new ATOM 0 HE22 GLN A 48 -13.621 10.105 5.144 1.00 35.51 H new ATOM 788 N GLU A 49 -10.678 10.872 0.818 1.00 25.40 N ATOM 789 CA GLU A 49 -9.254 10.985 1.178 1.00 12.04 C ATOM 790 C GLU A 49 -8.997 10.476 2.607 1.00 61.43 C ATOM 791 O GLU A 49 -8.264 11.075 3.400 1.00 12.41 O ATOM 792 CB GLU A 49 -8.769 12.436 1.044 1.00 13.44 C ATOM 793 CG GLU A 49 -9.104 13.104 -0.292 1.00 50.22 C ATOM 794 CD GLU A 49 -8.527 14.528 -0.383 1.00 40.20 C ATOM 795 OE1 GLU A 49 -8.342 15.173 0.677 1.00 24.31 O ATOM 796 OE2 GLU A 49 -8.330 15.066 -1.501 1.00 50.52 O ATOM 0 H GLU A 49 -11.222 11.689 1.096 1.00 25.40 H new ATOM 0 HA GLU A 49 -8.692 10.360 0.484 1.00 12.04 H new ATOM 0 HB2 GLU A 49 -9.206 13.026 1.849 1.00 13.44 H new ATOM 0 HB3 GLU A 49 -7.688 12.457 1.184 1.00 13.44 H new ATOM 0 HG2 GLU A 49 -8.710 12.500 -1.109 1.00 50.22 H new ATOM 0 HG3 GLU A 49 -10.186 13.142 -0.417 1.00 50.22 H new ATOM 803 N GLY A 50 -9.732 9.436 2.976 1.00 21.42 N ATOM 804 CA GLY A 50 -9.861 8.974 4.350 1.00 10.33 C ATOM 805 C GLY A 50 -9.731 7.468 4.472 1.00 42.14 C ATOM 806 O GLY A 50 -9.416 6.765 3.507 1.00 34.41 O ATOM 0 H GLY A 50 -10.268 8.877 2.312 1.00 21.42 H new ATOM 0 HA2 GLY A 50 -9.097 9.452 4.964 1.00 10.33 H new ATOM 0 HA3 GLY A 50 -10.828 9.285 4.745 1.00 10.33 H new ATOM 810 N ILE A 51 -9.954 6.976 5.691 1.00 71.24 N ATOM 811 CA ILE A 51 -10.189 5.558 5.921 1.00 14.12 C ATOM 812 C ILE A 51 -11.477 5.204 5.173 1.00 13.03 C ATOM 813 O ILE A 51 -12.369 6.045 5.019 1.00 24.54 O ATOM 814 CB ILE A 51 -10.291 5.260 7.440 1.00 62.31 C ATOM 815 CG1 ILE A 51 -9.013 5.654 8.223 1.00 0.50 C ATOM 816 CG2 ILE A 51 -10.631 3.784 7.725 1.00 2.44 C ATOM 817 CD1 ILE A 51 -7.815 4.713 8.036 1.00 12.44 C ATOM 0 H ILE A 51 -9.976 7.546 6.537 1.00 71.24 H new ATOM 0 HA ILE A 51 -9.364 4.948 5.553 1.00 14.12 H new ATOM 0 HB ILE A 51 -11.111 5.886 7.794 1.00 62.31 H new ATOM 0 HG12 ILE A 51 -8.716 6.658 7.921 1.00 0.50 H new ATOM 0 HG13 ILE A 51 -9.256 5.700 9.285 1.00 0.50 H new ATOM 0 HG21 ILE A 51 -10.691 3.626 8.802 1.00 2.44 H new ATOM 0 HG22 ILE A 51 -11.589 3.536 7.268 1.00 2.44 H new ATOM 0 HG23 ILE A 51 -9.854 3.144 7.307 1.00 2.44 H new ATOM 0 HD11 ILE A 51 -6.972 5.076 8.625 1.00 12.44 H new ATOM 0 HD12 ILE A 51 -8.085 3.710 8.368 1.00 12.44 H new ATOM 0 HD13 ILE A 51 -7.536 4.684 6.983 1.00 12.44 H new ATOM 829 N VAL A 52 -11.569 3.953 4.745 1.00 53.11 N ATOM 830 CA VAL A 52 -12.787 3.328 4.280 1.00 53.42 C ATOM 831 C VAL A 52 -12.878 2.020 5.064 1.00 14.32 C ATOM 832 O VAL A 52 -11.865 1.377 5.360 1.00 74.23 O ATOM 833 CB VAL A 52 -12.738 3.169 2.747 1.00 22.54 C ATOM 834 CG1 VAL A 52 -14.006 2.537 2.166 1.00 64.30 C ATOM 835 CG2 VAL A 52 -12.541 4.522 2.048 1.00 43.11 C ATOM 0 H VAL A 52 -10.764 3.327 4.713 1.00 53.11 H new ATOM 0 HA VAL A 52 -13.690 3.912 4.457 1.00 53.42 H new ATOM 0 HB VAL A 52 -11.891 2.508 2.562 1.00 22.54 H new ATOM 0 HG11 VAL A 52 -13.908 2.453 1.084 1.00 64.30 H new ATOM 0 HG12 VAL A 52 -14.148 1.545 2.595 1.00 64.30 H new ATOM 0 HG13 VAL A 52 -14.866 3.162 2.405 1.00 64.30 H new ATOM 0 HG21 VAL A 52 -12.511 4.373 0.969 1.00 43.11 H new ATOM 0 HG22 VAL A 52 -13.368 5.186 2.300 1.00 43.11 H new ATOM 0 HG23 VAL A 52 -11.604 4.969 2.379 1.00 43.11 H new ATOM 845 N ASP A 53 -14.089 1.638 5.445 1.00 34.21 N ATOM 846 CA ASP A 53 -14.412 0.546 6.349 1.00 74.01 C ATOM 847 C ASP A 53 -15.536 -0.307 5.736 1.00 2.24 C ATOM 848 O ASP A 53 -16.435 -0.784 6.439 1.00 4.15 O ATOM 849 CB ASP A 53 -14.785 1.131 7.723 1.00 53.15 C ATOM 850 CG ASP A 53 -16.074 1.970 7.798 1.00 73.44 C ATOM 851 OD1 ASP A 53 -16.006 3.190 7.533 1.00 60.34 O ATOM 852 OD2 ASP A 53 -17.116 1.480 8.302 1.00 52.34 O ATOM 0 H ASP A 53 -14.926 2.115 5.108 1.00 34.21 H new ATOM 0 HA ASP A 53 -13.555 -0.112 6.495 1.00 74.01 H new ATOM 0 HB2 ASP A 53 -14.876 0.306 8.429 1.00 53.15 H new ATOM 0 HB3 ASP A 53 -13.956 1.752 8.063 1.00 53.15 H new ATOM 857 N TYR A 54 -15.463 -0.546 4.424 1.00 42.23 N ATOM 858 CA TYR A 54 -16.346 -1.434 3.684 1.00 11.42 C ATOM 859 C TYR A 54 -15.531 -2.551 3.024 1.00 33.40 C ATOM 860 O TYR A 54 -14.821 -2.315 2.042 1.00 5.32 O ATOM 861 CB TYR A 54 -17.141 -0.631 2.652 1.00 2.31 C ATOM 862 CG TYR A 54 -18.172 -1.477 1.940 1.00 74.43 C ATOM 863 CD1 TYR A 54 -19.327 -1.885 2.623 1.00 1.10 C ATOM 864 CD2 TYR A 54 -17.976 -1.875 0.609 1.00 34.15 C ATOM 865 CE1 TYR A 54 -20.317 -2.632 1.968 1.00 72.13 C ATOM 866 CE2 TYR A 54 -18.969 -2.609 -0.061 1.00 52.24 C ATOM 867 CZ TYR A 54 -20.158 -2.980 0.613 1.00 50.40 C ATOM 868 OH TYR A 54 -21.147 -3.673 -0.012 1.00 31.23 O ATOM 0 H TYR A 54 -14.759 -0.107 3.831 1.00 42.23 H new ATOM 0 HA TYR A 54 -17.056 -1.900 4.368 1.00 11.42 H new ATOM 0 HB2 TYR A 54 -17.638 0.203 3.148 1.00 2.31 H new ATOM 0 HB3 TYR A 54 -16.455 -0.204 1.920 1.00 2.31 H new ATOM 0 HD1 TYR A 54 -19.455 -1.622 3.663 1.00 1.10 H new ATOM 0 HD2 TYR A 54 -17.060 -1.617 0.099 1.00 34.15 H new ATOM 0 HE1 TYR A 54 -21.202 -2.941 2.504 1.00 72.13 H new ATOM 0 HE2 TYR A 54 -18.825 -2.891 -1.093 1.00 52.24 H new ATOM 0 HH TYR A 54 -20.892 -3.838 -0.944 1.00 31.23 H new ATOM 878 N GLY A 55 -15.629 -3.778 3.536 1.00 1.31 N ATOM 879 CA GLY A 55 -15.014 -4.951 2.931 1.00 2.53 C ATOM 880 C GLY A 55 -13.600 -5.161 3.460 1.00 60.12 C ATOM 881 O GLY A 55 -13.404 -5.991 4.347 1.00 32.44 O ATOM 0 H GLY A 55 -16.144 -3.984 4.392 1.00 1.31 H new ATOM 0 HA2 GLY A 55 -15.619 -5.833 3.141 1.00 2.53 H new ATOM 0 HA3 GLY A 55 -14.987 -4.834 1.848 1.00 2.53 H new ATOM 885 N VAL A 56 -12.633 -4.413 2.928 1.00 53.35 N ATOM 886 CA VAL A 56 -11.226 -4.414 3.337 1.00 44.02 C ATOM 887 C VAL A 56 -10.906 -2.982 3.691 1.00 60.43 C ATOM 888 O VAL A 56 -11.135 -2.088 2.879 1.00 12.10 O ATOM 889 CB VAL A 56 -10.294 -4.896 2.211 1.00 51.41 C ATOM 890 CG1 VAL A 56 -8.808 -4.668 2.531 1.00 1.33 C ATOM 891 CG2 VAL A 56 -10.491 -6.384 1.976 1.00 1.51 C ATOM 0 H VAL A 56 -12.816 -3.760 2.166 1.00 53.35 H new ATOM 0 HA VAL A 56 -11.073 -5.098 4.172 1.00 44.02 H new ATOM 0 HB VAL A 56 -10.555 -4.313 1.328 1.00 51.41 H new ATOM 0 HG11 VAL A 56 -8.198 -5.027 1.702 1.00 1.33 H new ATOM 0 HG12 VAL A 56 -8.627 -3.604 2.680 1.00 1.33 H new ATOM 0 HG13 VAL A 56 -8.544 -5.212 3.438 1.00 1.33 H new ATOM 0 HG21 VAL A 56 -9.828 -6.717 1.178 1.00 1.51 H new ATOM 0 HG22 VAL A 56 -10.261 -6.930 2.891 1.00 1.51 H new ATOM 0 HG23 VAL A 56 -11.526 -6.573 1.691 1.00 1.51 H new ATOM 901 N ARG A 57 -10.457 -2.736 4.921 1.00 30.14 N ATOM 902 CA ARG A 57 -10.180 -1.371 5.361 1.00 63.01 C ATOM 903 C ARG A 57 -9.047 -0.800 4.534 1.00 52.14 C ATOM 904 O ARG A 57 -7.902 -1.256 4.621 1.00 41.42 O ATOM 905 CB ARG A 57 -9.935 -1.233 6.867 1.00 3.12 C ATOM 906 CG ARG A 57 -9.445 -2.524 7.510 1.00 52.30 C ATOM 907 CD ARG A 57 -8.793 -2.303 8.877 1.00 10.31 C ATOM 908 NE ARG A 57 -9.780 -2.310 9.962 1.00 25.10 N ATOM 909 CZ ARG A 57 -10.345 -3.405 10.476 1.00 44.52 C ATOM 910 NH1 ARG A 57 -9.988 -4.607 10.035 1.00 42.32 N ATOM 911 NH2 ARG A 57 -11.275 -3.277 11.411 1.00 32.52 N ATOM 0 H ARG A 57 -10.279 -3.455 5.622 1.00 30.14 H new ATOM 0 HA ARG A 57 -11.082 -0.784 5.191 1.00 63.01 H new ATOM 0 HB2 ARG A 57 -9.201 -0.446 7.040 1.00 3.12 H new ATOM 0 HB3 ARG A 57 -10.859 -0.919 7.353 1.00 3.12 H new ATOM 0 HG2 ARG A 57 -10.285 -3.209 7.621 1.00 52.30 H new ATOM 0 HG3 ARG A 57 -8.727 -3.005 6.845 1.00 52.30 H new ATOM 0 HD2 ARG A 57 -8.052 -3.082 9.056 1.00 10.31 H new ATOM 0 HD3 ARG A 57 -8.262 -1.351 8.876 1.00 10.31 H new ATOM 0 HE ARG A 57 -10.056 -1.410 10.354 1.00 25.10 H new ATOM 0 HH11 ARG A 57 -9.282 -4.693 9.304 1.00 42.32 H new ATOM 0 HH12 ARG A 57 -10.420 -5.443 10.428 1.00 42.32 H new ATOM 0 HH21 ARG A 57 -11.552 -2.349 11.731 1.00 32.52 H new ATOM 0 HH22 ARG A 57 -11.714 -4.106 11.811 1.00 32.52 H new ATOM 925 N PHE A 58 -9.413 0.169 3.709 1.00 45.45 N ATOM 926 CA PHE A 58 -8.480 0.897 2.881 1.00 32.11 C ATOM 927 C PHE A 58 -8.222 2.235 3.552 1.00 54.23 C ATOM 928 O PHE A 58 -8.975 2.672 4.424 1.00 32.13 O ATOM 929 CB PHE A 58 -9.036 1.053 1.457 1.00 34.12 C ATOM 930 CG PHE A 58 -9.330 -0.250 0.728 1.00 35.43 C ATOM 931 CD1 PHE A 58 -8.350 -1.257 0.643 1.00 12.01 C ATOM 932 CD2 PHE A 58 -10.575 -0.452 0.101 1.00 61.14 C ATOM 933 CE1 PHE A 58 -8.601 -2.450 -0.053 1.00 61.10 C ATOM 934 CE2 PHE A 58 -10.831 -1.652 -0.587 1.00 42.54 C ATOM 935 CZ PHE A 58 -9.847 -2.648 -0.665 1.00 32.51 C ATOM 0 H PHE A 58 -10.381 0.471 3.599 1.00 45.45 H new ATOM 0 HA PHE A 58 -7.537 0.359 2.782 1.00 32.11 H new ATOM 0 HB2 PHE A 58 -9.954 1.639 1.505 1.00 34.12 H new ATOM 0 HB3 PHE A 58 -8.322 1.628 0.867 1.00 34.12 H new ATOM 0 HD1 PHE A 58 -7.392 -1.110 1.120 1.00 12.01 H new ATOM 0 HD2 PHE A 58 -11.334 0.315 0.148 1.00 61.14 H new ATOM 0 HE1 PHE A 58 -7.838 -3.212 -0.117 1.00 61.10 H new ATOM 0 HE2 PHE A 58 -11.791 -1.807 -1.058 1.00 42.54 H new ATOM 0 HZ PHE A 58 -10.049 -3.567 -1.196 1.00 32.51 H new ATOM 945 N PHE A 59 -7.169 2.910 3.113 1.00 0.15 N ATOM 946 CA PHE A 59 -6.852 4.256 3.541 1.00 4.14 C ATOM 947 C PHE A 59 -6.390 4.986 2.298 1.00 43.32 C ATOM 948 O PHE A 59 -5.312 4.707 1.765 1.00 72.11 O ATOM 949 CB PHE A 59 -5.810 4.209 4.655 1.00 2.44 C ATOM 950 CG PHE A 59 -5.400 5.546 5.235 1.00 23.53 C ATOM 951 CD1 PHE A 59 -6.365 6.516 5.558 1.00 31.32 C ATOM 952 CD2 PHE A 59 -4.046 5.800 5.512 1.00 20.34 C ATOM 953 CE1 PHE A 59 -5.987 7.721 6.167 1.00 50.24 C ATOM 954 CE2 PHE A 59 -3.666 7.003 6.130 1.00 71.44 C ATOM 955 CZ PHE A 59 -4.639 7.961 6.470 1.00 62.31 C ATOM 0 H PHE A 59 -6.504 2.528 2.440 1.00 0.15 H new ATOM 0 HA PHE A 59 -7.703 4.785 3.969 1.00 4.14 H new ATOM 0 HB2 PHE A 59 -6.198 3.588 5.463 1.00 2.44 H new ATOM 0 HB3 PHE A 59 -4.919 3.713 4.271 1.00 2.44 H new ATOM 0 HD1 PHE A 59 -7.406 6.332 5.335 1.00 31.32 H new ATOM 0 HD2 PHE A 59 -3.296 5.069 5.249 1.00 20.34 H new ATOM 0 HE1 PHE A 59 -6.734 8.464 6.403 1.00 50.24 H new ATOM 0 HE2 PHE A 59 -2.625 7.193 6.345 1.00 71.44 H new ATOM 0 HZ PHE A 59 -4.349 8.877 6.962 1.00 62.31 H new ATOM 965 N PHE A 60 -7.287 5.799 1.767 1.00 1.21 N ATOM 966 CA PHE A 60 -7.097 6.520 0.535 1.00 23.23 C ATOM 967 C PHE A 60 -6.368 7.825 0.825 1.00 14.13 C ATOM 968 O PHE A 60 -6.689 8.517 1.789 1.00 23.13 O ATOM 969 CB PHE A 60 -8.472 6.803 -0.058 1.00 75.21 C ATOM 970 CG PHE A 60 -9.115 5.706 -0.885 1.00 1.25 C ATOM 971 CD1 PHE A 60 -8.407 5.063 -1.920 1.00 35.13 C ATOM 972 CD2 PHE A 60 -10.461 5.373 -0.651 1.00 63.33 C ATOM 973 CE1 PHE A 60 -9.037 4.066 -2.685 1.00 1.14 C ATOM 974 CE2 PHE A 60 -11.083 4.362 -1.402 1.00 4.44 C ATOM 975 CZ PHE A 60 -10.371 3.708 -2.419 1.00 1.51 C ATOM 0 H PHE A 60 -8.193 5.976 2.200 1.00 1.21 H new ATOM 0 HA PHE A 60 -6.502 5.939 -0.169 1.00 23.23 H new ATOM 0 HB2 PHE A 60 -9.148 7.047 0.761 1.00 75.21 H new ATOM 0 HB3 PHE A 60 -8.393 7.693 -0.682 1.00 75.21 H new ATOM 0 HD1 PHE A 60 -7.382 5.336 -2.125 1.00 35.13 H new ATOM 0 HD2 PHE A 60 -11.020 5.897 0.110 1.00 63.33 H new ATOM 0 HE1 PHE A 60 -8.495 3.574 -3.479 1.00 1.14 H new ATOM 0 HE2 PHE A 60 -12.107 4.088 -1.197 1.00 4.44 H new ATOM 0 HZ PHE A 60 -10.847 2.930 -2.997 1.00 1.51 H new ATOM 985 N TYR A 61 -5.442 8.189 -0.054 1.00 41.41 N ATOM 986 CA TYR A 61 -4.766 9.478 -0.068 1.00 35.45 C ATOM 987 C TYR A 61 -4.653 9.933 -1.512 1.00 40.25 C ATOM 988 O TYR A 61 -4.510 9.113 -2.423 1.00 61.23 O ATOM 989 CB TYR A 61 -3.387 9.353 0.595 1.00 42.20 C ATOM 990 CG TYR A 61 -2.529 8.213 0.064 1.00 24.13 C ATOM 991 CD1 TYR A 61 -2.638 6.925 0.625 1.00 65.24 C ATOM 992 CD2 TYR A 61 -1.647 8.429 -1.012 1.00 54.02 C ATOM 993 CE1 TYR A 61 -1.883 5.860 0.106 1.00 23.31 C ATOM 994 CE2 TYR A 61 -0.866 7.374 -1.515 1.00 52.11 C ATOM 995 CZ TYR A 61 -0.995 6.079 -0.968 1.00 43.25 C ATOM 996 OH TYR A 61 -0.294 5.037 -1.494 1.00 42.21 O ATOM 0 H TYR A 61 -5.131 7.571 -0.803 1.00 41.41 H new ATOM 0 HA TYR A 61 -5.330 10.219 0.498 1.00 35.45 H new ATOM 0 HB2 TYR A 61 -2.847 10.290 0.459 1.00 42.20 H new ATOM 0 HB3 TYR A 61 -3.525 9.217 1.668 1.00 42.20 H new ATOM 0 HD1 TYR A 61 -3.305 6.756 1.458 1.00 65.24 H new ATOM 0 HD2 TYR A 61 -1.570 9.412 -1.454 1.00 54.02 H new ATOM 0 HE1 TYR A 61 -1.983 4.872 0.530 1.00 23.31 H new ATOM 0 HE2 TYR A 61 -0.168 7.554 -2.319 1.00 52.11 H new ATOM 0 HH TYR A 61 -0.125 5.203 -2.445 1.00 42.21 H new ATOM 1006 N THR A 62 -4.768 11.235 -1.731 1.00 61.53 N ATOM 1007 CA THR A 62 -4.642 11.839 -3.042 1.00 35.23 C ATOM 1008 C THR A 62 -3.166 11.881 -3.438 1.00 22.32 C ATOM 1009 O THR A 62 -2.290 11.989 -2.575 1.00 72.23 O ATOM 1010 CB THR A 62 -5.301 13.236 -3.016 1.00 70.44 C ATOM 1011 OG1 THR A 62 -5.466 13.754 -1.701 1.00 21.30 O ATOM 1012 CG2 THR A 62 -6.694 13.154 -3.632 1.00 71.15 C ATOM 0 H THR A 62 -4.954 11.909 -0.988 1.00 61.53 H new ATOM 0 HA THR A 62 -5.159 11.250 -3.800 1.00 35.23 H new ATOM 0 HB THR A 62 -4.634 13.894 -3.573 1.00 70.44 H new ATOM 0 HG1 THR A 62 -6.025 14.559 -1.734 1.00 21.30 H new ATOM 0 HG21 THR A 62 -7.159 14.140 -3.613 1.00 71.15 H new ATOM 0 HG22 THR A 62 -6.616 12.809 -4.663 1.00 71.15 H new ATOM 0 HG23 THR A 62 -7.304 12.455 -3.060 1.00 71.15 H new ATOM 1020 N SER A 63 -2.890 11.855 -4.746 1.00 64.42 N ATOM 1021 CA SER A 63 -1.544 12.029 -5.283 1.00 51.04 C ATOM 1022 C SER A 63 -0.917 13.325 -4.768 1.00 21.03 C ATOM 1023 O SER A 63 0.296 13.372 -4.553 1.00 73.12 O ATOM 1024 CB SER A 63 -1.590 12.020 -6.819 1.00 14.52 C ATOM 1025 OG SER A 63 -2.710 12.751 -7.296 1.00 65.34 O ATOM 0 H SER A 63 -3.601 11.712 -5.463 1.00 64.42 H new ATOM 0 HA SER A 63 -0.922 11.200 -4.945 1.00 51.04 H new ATOM 0 HB2 SER A 63 -0.672 12.452 -7.217 1.00 14.52 H new ATOM 0 HB3 SER A 63 -1.641 10.993 -7.179 1.00 14.52 H new ATOM 0 HG SER A 63 -2.719 12.734 -8.276 1.00 65.34 H new ATOM 1031 N LYS A 64 -1.733 14.364 -4.549 1.00 71.53 N ATOM 1032 CA LYS A 64 -1.283 15.670 -4.097 1.00 41.34 C ATOM 1033 C LYS A 64 -0.470 15.629 -2.811 1.00 54.12 C ATOM 1034 O LYS A 64 0.382 16.499 -2.630 1.00 3.54 O ATOM 1035 CB LYS A 64 -2.489 16.617 -3.954 1.00 50.14 C ATOM 1036 CG LYS A 64 -3.416 16.375 -2.742 1.00 22.41 C ATOM 1037 CD LYS A 64 -3.067 17.219 -1.503 1.00 50.23 C ATOM 1038 CE LYS A 64 -3.432 18.693 -1.686 1.00 61.14 C ATOM 1039 NZ LYS A 64 -4.806 18.999 -1.250 1.00 74.11 N ATOM 0 H LYS A 64 -2.742 14.311 -4.686 1.00 71.53 H new ATOM 0 HA LYS A 64 -0.603 16.048 -4.860 1.00 41.34 H new ATOM 0 HB2 LYS A 64 -2.115 17.639 -3.899 1.00 50.14 H new ATOM 0 HB3 LYS A 64 -3.088 16.545 -4.862 1.00 50.14 H new ATOM 0 HG2 LYS A 64 -4.443 16.589 -3.036 1.00 22.41 H new ATOM 0 HG3 LYS A 64 -3.375 15.320 -2.472 1.00 22.41 H new ATOM 0 HD2 LYS A 64 -3.593 16.821 -0.635 1.00 50.23 H new ATOM 0 HD3 LYS A 64 -2.000 17.134 -1.296 1.00 50.23 H new ATOM 0 HE2 LYS A 64 -2.731 19.309 -1.122 1.00 61.14 H new ATOM 0 HE3 LYS A 64 -3.320 18.963 -2.736 1.00 61.14 H new ATOM 0 HZ1 LYS A 64 -5.000 20.010 -1.396 1.00 74.11 H new ATOM 0 HZ2 LYS A 64 -5.480 18.434 -1.805 1.00 74.11 H new ATOM 0 HZ3 LYS A 64 -4.909 18.769 -0.241 1.00 74.11 H new ATOM 1053 N GLU A 65 -0.787 14.742 -1.866 1.00 53.22 N ATOM 1054 CA GLU A 65 -0.281 14.943 -0.516 1.00 21.53 C ATOM 1055 C GLU A 65 1.097 14.267 -0.439 1.00 12.21 C ATOM 1056 O GLU A 65 1.278 13.201 -1.034 1.00 11.12 O ATOM 1057 CB GLU A 65 -1.338 14.433 0.489 1.00 14.22 C ATOM 1058 CG GLU A 65 -1.495 15.388 1.688 1.00 43.14 C ATOM 1059 CD GLU A 65 -2.889 15.335 2.327 1.00 12.25 C ATOM 1060 OE1 GLU A 65 -3.856 15.957 1.815 1.00 34.34 O ATOM 1061 OE2 GLU A 65 -3.033 14.737 3.414 1.00 34.30 O ATOM 0 H GLU A 65 -1.366 13.914 -2.003 1.00 53.22 H new ATOM 0 HA GLU A 65 -0.125 15.990 -0.254 1.00 21.53 H new ATOM 0 HB2 GLU A 65 -2.297 14.324 -0.017 1.00 14.22 H new ATOM 0 HB3 GLU A 65 -1.052 13.444 0.847 1.00 14.22 H new ATOM 0 HG2 GLU A 65 -0.748 15.140 2.442 1.00 43.14 H new ATOM 0 HG3 GLU A 65 -1.291 16.408 1.361 1.00 43.14 H new ATOM 1068 N PRO A 66 2.081 14.837 0.281 1.00 51.43 N ATOM 1069 CA PRO A 66 3.460 14.379 0.165 1.00 23.31 C ATOM 1070 C PRO A 66 3.616 12.946 0.673 1.00 54.12 C ATOM 1071 O PRO A 66 3.090 12.593 1.731 1.00 62.22 O ATOM 1072 CB PRO A 66 4.327 15.386 0.934 1.00 15.14 C ATOM 1073 CG PRO A 66 3.346 16.277 1.697 1.00 3.31 C ATOM 1074 CD PRO A 66 2.028 16.128 0.948 1.00 53.33 C ATOM 0 HA PRO A 66 3.779 14.342 -0.877 1.00 23.31 H new ATOM 0 HB2 PRO A 66 5.006 14.876 1.617 1.00 15.14 H new ATOM 0 HB3 PRO A 66 4.942 15.974 0.253 1.00 15.14 H new ATOM 0 HG2 PRO A 66 3.249 15.961 2.736 1.00 3.31 H new ATOM 0 HG3 PRO A 66 3.680 17.315 1.709 1.00 3.31 H new ATOM 0 HD2 PRO A 66 1.183 16.176 1.635 1.00 53.33 H new ATOM 0 HD3 PRO A 66 1.898 16.934 0.226 1.00 53.33 H new ATOM 1082 N VAL A 67 4.401 12.146 -0.055 1.00 42.22 N ATOM 1083 CA VAL A 67 4.703 10.746 0.240 1.00 64.50 C ATOM 1084 C VAL A 67 5.092 10.607 1.714 1.00 33.42 C ATOM 1085 O VAL A 67 4.539 9.765 2.426 1.00 34.01 O ATOM 1086 CB VAL A 67 5.811 10.238 -0.717 1.00 72.02 C ATOM 1087 CG1 VAL A 67 6.206 8.773 -0.475 1.00 72.22 C ATOM 1088 CG2 VAL A 67 5.391 10.354 -2.192 1.00 20.03 C ATOM 0 H VAL A 67 4.863 12.473 -0.903 1.00 42.22 H new ATOM 0 HA VAL A 67 3.823 10.124 0.074 1.00 64.50 H new ATOM 0 HB VAL A 67 6.665 10.881 -0.502 1.00 72.02 H new ATOM 0 HG11 VAL A 67 6.986 8.485 -1.180 1.00 72.22 H new ATOM 0 HG12 VAL A 67 6.578 8.660 0.543 1.00 72.22 H new ATOM 0 HG13 VAL A 67 5.335 8.133 -0.616 1.00 72.22 H new ATOM 0 HG21 VAL A 67 6.196 9.987 -2.829 1.00 20.03 H new ATOM 0 HG22 VAL A 67 4.494 9.759 -2.363 1.00 20.03 H new ATOM 0 HG23 VAL A 67 5.186 11.397 -2.431 1.00 20.03 H new ATOM 1098 N ALA A 68 6.008 11.452 2.195 1.00 41.43 N ATOM 1099 CA ALA A 68 6.489 11.392 3.563 1.00 31.32 C ATOM 1100 C ALA A 68 5.428 11.756 4.614 1.00 25.30 C ATOM 1101 O ALA A 68 5.557 11.289 5.746 1.00 54.54 O ATOM 1102 CB ALA A 68 7.709 12.298 3.709 1.00 4.42 C ATOM 0 H ALA A 68 6.433 12.195 1.640 1.00 41.43 H new ATOM 0 HA ALA A 68 6.754 10.353 3.758 1.00 31.32 H new ATOM 0 HB1 ALA A 68 8.073 12.255 4.736 1.00 4.42 H new ATOM 0 HB2 ALA A 68 8.494 11.963 3.031 1.00 4.42 H new ATOM 0 HB3 ALA A 68 7.432 13.323 3.465 1.00 4.42 H new ATOM 1108 N SER A 69 4.398 12.539 4.278 1.00 54.24 N ATOM 1109 CA SER A 69 3.283 12.821 5.177 1.00 41.12 C ATOM 1110 C SER A 69 2.460 11.554 5.388 1.00 32.02 C ATOM 1111 O SER A 69 2.179 11.185 6.529 1.00 44.51 O ATOM 1112 CB SER A 69 2.435 13.967 4.610 1.00 3.42 C ATOM 1113 OG SER A 69 1.365 14.286 5.474 1.00 13.03 O ATOM 0 H SER A 69 4.317 12.996 3.369 1.00 54.24 H new ATOM 0 HA SER A 69 3.660 13.139 6.149 1.00 41.12 H new ATOM 0 HB2 SER A 69 3.061 14.847 4.462 1.00 3.42 H new ATOM 0 HB3 SER A 69 2.045 13.685 3.632 1.00 3.42 H new ATOM 0 HG SER A 69 0.842 15.020 5.090 1.00 13.03 H new ATOM 1119 N ILE A 70 2.121 10.848 4.303 1.00 62.40 N ATOM 1120 CA ILE A 70 1.355 9.606 4.370 1.00 34.54 C ATOM 1121 C ILE A 70 1.990 8.632 5.362 1.00 74.21 C ATOM 1122 O ILE A 70 1.278 8.103 6.209 1.00 50.30 O ATOM 1123 CB ILE A 70 1.176 8.999 2.965 1.00 2.23 C ATOM 1124 CG1 ILE A 70 0.231 9.884 2.117 1.00 12.11 C ATOM 1125 CG2 ILE A 70 0.660 7.547 3.026 1.00 62.12 C ATOM 1126 CD1 ILE A 70 0.696 9.987 0.663 1.00 71.14 C ATOM 0 H ILE A 70 2.372 11.125 3.354 1.00 62.40 H new ATOM 0 HA ILE A 70 0.355 9.826 4.745 1.00 34.54 H new ATOM 0 HB ILE A 70 2.156 8.970 2.488 1.00 2.23 H new ATOM 0 HG12 ILE A 70 -0.777 9.471 2.147 1.00 12.11 H new ATOM 0 HG13 ILE A 70 0.180 10.882 2.553 1.00 12.11 H new ATOM 0 HG21 ILE A 70 0.548 7.158 2.014 1.00 62.12 H new ATOM 0 HG22 ILE A 70 1.372 6.931 3.575 1.00 62.12 H new ATOM 0 HG23 ILE A 70 -0.305 7.525 3.532 1.00 62.12 H new ATOM 0 HD11 ILE A 70 0.004 10.617 0.104 1.00 71.14 H new ATOM 0 HD12 ILE A 70 1.694 10.425 0.630 1.00 71.14 H new ATOM 0 HD13 ILE A 70 0.722 8.992 0.218 1.00 71.14 H new ATOM 1138 N ILE A 71 3.310 8.441 5.303 1.00 72.34 N ATOM 1139 CA ILE A 71 4.054 7.597 6.236 1.00 0.41 C ATOM 1140 C ILE A 71 3.636 7.922 7.684 1.00 12.44 C ATOM 1141 O ILE A 71 3.286 7.030 8.457 1.00 34.22 O ATOM 1142 CB ILE A 71 5.573 7.823 6.005 1.00 65.44 C ATOM 1143 CG1 ILE A 71 6.094 7.524 4.577 1.00 64.52 C ATOM 1144 CG2 ILE A 71 6.433 7.061 7.010 1.00 35.03 C ATOM 1145 CD1 ILE A 71 6.122 6.054 4.139 1.00 53.33 C ATOM 0 H ILE A 71 3.900 8.876 4.594 1.00 72.34 H new ATOM 0 HA ILE A 71 3.831 6.544 6.064 1.00 0.41 H new ATOM 0 HB ILE A 71 5.674 8.898 6.152 1.00 65.44 H new ATOM 0 HG12 ILE A 71 5.477 8.077 3.869 1.00 64.52 H new ATOM 0 HG13 ILE A 71 7.106 7.921 4.496 1.00 64.52 H new ATOM 0 HG21 ILE A 71 7.487 7.252 6.806 1.00 35.03 H new ATOM 0 HG22 ILE A 71 6.193 7.393 8.020 1.00 35.03 H new ATOM 0 HG23 ILE A 71 6.234 5.993 6.923 1.00 35.03 H new ATOM 0 HD11 ILE A 71 6.507 5.985 3.122 1.00 53.33 H new ATOM 0 HD12 ILE A 71 6.767 5.487 4.810 1.00 53.33 H new ATOM 0 HD13 ILE A 71 5.112 5.645 4.174 1.00 53.33 H new ATOM 1157 N THR A 72 3.637 9.205 8.046 1.00 11.25 N ATOM 1158 CA THR A 72 3.293 9.670 9.380 1.00 55.21 C ATOM 1159 C THR A 72 1.826 9.391 9.742 1.00 13.21 C ATOM 1160 O THR A 72 1.537 9.118 10.910 1.00 43.42 O ATOM 1161 CB THR A 72 3.629 11.165 9.470 1.00 41.53 C ATOM 1162 OG1 THR A 72 4.928 11.404 8.955 1.00 12.43 O ATOM 1163 CG2 THR A 72 3.602 11.679 10.905 1.00 60.02 C ATOM 0 H THR A 72 3.882 9.960 7.405 1.00 11.25 H new ATOM 0 HA THR A 72 3.879 9.115 10.112 1.00 55.21 H new ATOM 0 HB THR A 72 2.869 11.688 8.889 1.00 41.53 H new ATOM 0 HG1 THR A 72 5.133 12.360 9.015 1.00 12.43 H new ATOM 0 HG21 THR A 72 3.846 12.741 10.916 1.00 60.02 H new ATOM 0 HG22 THR A 72 2.607 11.531 11.326 1.00 60.02 H new ATOM 0 HG23 THR A 72 4.333 11.133 11.501 1.00 60.02 H new ATOM 1171 N LYS A 73 0.891 9.420 8.785 1.00 35.44 N ATOM 1172 CA LYS A 73 -0.501 9.070 9.035 1.00 24.05 C ATOM 1173 C LYS A 73 -0.571 7.625 9.527 1.00 55.33 C ATOM 1174 O LYS A 73 -1.146 7.370 10.584 1.00 2.11 O ATOM 1175 CB LYS A 73 -1.335 9.245 7.763 1.00 73.14 C ATOM 1176 CG LYS A 73 -1.327 10.646 7.138 1.00 0.13 C ATOM 1177 CD LYS A 73 -2.112 10.650 5.816 1.00 53.40 C ATOM 1178 CE LYS A 73 -1.920 11.955 5.039 1.00 62.41 C ATOM 1179 NZ LYS A 73 -2.824 13.023 5.503 1.00 24.11 N ATOM 0 H LYS A 73 1.083 9.687 7.820 1.00 35.44 H new ATOM 0 HA LYS A 73 -0.910 9.733 9.798 1.00 24.05 H new ATOM 0 HB2 LYS A 73 -0.977 8.535 7.018 1.00 73.14 H new ATOM 0 HB3 LYS A 73 -2.367 8.976 7.990 1.00 73.14 H new ATOM 0 HG2 LYS A 73 -1.767 11.363 7.831 1.00 0.13 H new ATOM 0 HG3 LYS A 73 -0.300 10.965 6.959 1.00 0.13 H new ATOM 0 HD2 LYS A 73 -1.789 9.811 5.200 1.00 53.40 H new ATOM 0 HD3 LYS A 73 -3.172 10.504 6.023 1.00 53.40 H new ATOM 0 HE2 LYS A 73 -0.887 12.287 5.141 1.00 62.41 H new ATOM 0 HE3 LYS A 73 -2.092 11.772 3.978 1.00 62.41 H new ATOM 0 HZ1 LYS A 73 -2.818 13.805 4.818 1.00 24.11 H new ATOM 0 HZ2 LYS A 73 -3.790 12.647 5.590 1.00 24.11 H new ATOM 0 HZ3 LYS A 73 -2.503 13.371 6.429 1.00 24.11 H new ATOM 1193 N LEU A 74 0.053 6.686 8.806 1.00 4.45 N ATOM 1194 CA LEU A 74 0.055 5.286 9.218 1.00 30.23 C ATOM 1195 C LEU A 74 0.727 5.107 10.572 1.00 63.32 C ATOM 1196 O LEU A 74 0.278 4.278 11.357 1.00 31.03 O ATOM 1197 CB LEU A 74 0.809 4.393 8.236 1.00 31.42 C ATOM 1198 CG LEU A 74 0.191 4.099 6.872 1.00 30.21 C ATOM 1199 CD1 LEU A 74 -1.311 3.839 6.918 1.00 22.44 C ATOM 1200 CD2 LEU A 74 0.478 5.188 5.856 1.00 15.33 C ATOM 0 H LEU A 74 0.559 6.873 7.940 1.00 4.45 H new ATOM 0 HA LEU A 74 -0.995 4.997 9.259 1.00 30.23 H new ATOM 0 HB2 LEU A 74 1.785 4.846 8.063 1.00 31.42 H new ATOM 0 HB3 LEU A 74 0.984 3.437 8.730 1.00 31.42 H new ATOM 0 HG LEU A 74 0.678 3.177 6.555 1.00 30.21 H new ATOM 0 HD11 LEU A 74 -1.676 3.638 5.911 1.00 22.44 H new ATOM 0 HD12 LEU A 74 -1.512 2.978 7.555 1.00 22.44 H new ATOM 0 HD13 LEU A 74 -1.820 4.715 7.321 1.00 22.44 H new ATOM 0 HD21 LEU A 74 0.015 4.928 4.904 1.00 15.33 H new ATOM 0 HD22 LEU A 74 0.070 6.134 6.212 1.00 15.33 H new ATOM 0 HD23 LEU A 74 1.555 5.285 5.721 1.00 15.33 H new ATOM 1212 N ASN A 75 1.795 5.857 10.852 1.00 3.44 N ATOM 1213 CA ASN A 75 2.497 5.759 12.134 1.00 31.50 C ATOM 1214 C ASN A 75 1.573 6.008 13.335 1.00 31.33 C ATOM 1215 O ASN A 75 1.882 5.504 14.415 1.00 44.31 O ATOM 1216 CB ASN A 75 3.663 6.752 12.246 1.00 32.44 C ATOM 1217 CG ASN A 75 4.867 6.502 11.352 1.00 51.13 C ATOM 1218 OD1 ASN A 75 5.065 5.435 10.783 1.00 1.23 O ATOM 1219 ND2 ASN A 75 5.725 7.501 11.245 1.00 20.33 N ATOM 0 H ASN A 75 2.193 6.540 10.207 1.00 3.44 H new ATOM 0 HA ASN A 75 2.873 4.736 12.158 1.00 31.50 H new ATOM 0 HB2 ASN A 75 3.281 7.750 12.030 1.00 32.44 H new ATOM 0 HB3 ASN A 75 4.005 6.759 13.281 1.00 32.44 H new ATOM 0 HD21 ASN A 75 6.568 7.391 10.682 1.00 20.33 H new ATOM 0 HD22 ASN A 75 5.544 8.382 11.726 1.00 20.33 H new ATOM 1226 N SER A 76 0.488 6.781 13.181 1.00 71.21 N ATOM 1227 CA SER A 76 -0.521 6.982 14.209 1.00 62.12 C ATOM 1228 C SER A 76 -1.338 5.698 14.386 1.00 3.51 C ATOM 1229 O SER A 76 -1.570 5.261 15.515 1.00 2.13 O ATOM 1230 CB SER A 76 -1.439 8.130 13.787 1.00 43.34 C ATOM 1231 OG SER A 76 -1.172 9.320 14.500 1.00 22.52 O ATOM 0 H SER A 76 0.292 7.290 12.319 1.00 71.21 H new ATOM 0 HA SER A 76 -0.041 7.228 15.156 1.00 62.12 H new ATOM 0 HB2 SER A 76 -1.319 8.314 12.719 1.00 43.34 H new ATOM 0 HB3 SER A 76 -2.477 7.839 13.946 1.00 43.34 H new ATOM 0 HG SER A 76 -1.780 10.026 14.197 1.00 22.52 H new ATOM 1237 N LEU A 77 -1.790 5.096 13.279 1.00 62.05 N ATOM 1238 CA LEU A 77 -2.562 3.855 13.303 1.00 53.20 C ATOM 1239 C LEU A 77 -1.732 2.753 13.954 1.00 53.32 C ATOM 1240 O LEU A 77 -2.267 1.971 14.737 1.00 11.24 O ATOM 1241 CB LEU A 77 -2.989 3.411 11.889 1.00 1.41 C ATOM 1242 CG LEU A 77 -3.777 4.449 11.067 1.00 34.23 C ATOM 1243 CD1 LEU A 77 -4.138 3.848 9.705 1.00 71.24 C ATOM 1244 CD2 LEU A 77 -5.057 4.905 11.772 1.00 20.13 C ATOM 0 H LEU A 77 -1.628 5.460 12.340 1.00 62.05 H new ATOM 0 HA LEU A 77 -3.468 4.039 13.880 1.00 53.20 H new ATOM 0 HB2 LEU A 77 -2.095 3.137 11.330 1.00 1.41 H new ATOM 0 HB3 LEU A 77 -3.597 2.511 11.980 1.00 1.41 H new ATOM 0 HG LEU A 77 -3.138 5.324 10.947 1.00 34.23 H new ATOM 0 HD11 LEU A 77 -4.696 4.580 9.121 1.00 71.24 H new ATOM 0 HD12 LEU A 77 -3.226 3.578 9.173 1.00 71.24 H new ATOM 0 HD13 LEU A 77 -4.750 2.958 9.851 1.00 71.24 H new ATOM 0 HD21 LEU A 77 -5.574 5.636 11.150 1.00 20.13 H new ATOM 0 HD22 LEU A 77 -5.707 4.046 11.938 1.00 20.13 H new ATOM 0 HD23 LEU A 77 -4.803 5.359 12.730 1.00 20.13 H new ATOM 1256 N ASN A 78 -0.433 2.697 13.633 1.00 52.22 N ATOM 1257 CA ASN A 78 0.550 1.726 14.126 1.00 12.32 C ATOM 1258 C ASN A 78 0.223 0.278 13.718 1.00 64.42 C ATOM 1259 O ASN A 78 0.897 -0.672 14.117 1.00 14.34 O ATOM 1260 CB ASN A 78 0.734 1.929 15.639 1.00 43.30 C ATOM 1261 CG ASN A 78 2.004 1.282 16.154 1.00 64.31 C ATOM 1262 OD1 ASN A 78 3.104 1.725 15.820 1.00 14.23 O ATOM 1263 ND2 ASN A 78 1.882 0.247 16.965 1.00 42.23 N ATOM 0 H ASN A 78 -0.017 3.367 12.985 1.00 52.22 H new ATOM 0 HA ASN A 78 1.510 1.911 13.644 1.00 12.32 H new ATOM 0 HB2 ASN A 78 0.756 2.996 15.860 1.00 43.30 H new ATOM 0 HB3 ASN A 78 -0.124 1.512 16.167 1.00 43.30 H new ATOM 0 HD21 ASN A 78 2.714 -0.212 17.335 1.00 42.23 H new ATOM 0 HD22 ASN A 78 0.955 -0.094 17.221 1.00 42.23 H new ATOM 1270 N GLU A 79 -0.805 0.105 12.889 1.00 1.22 N ATOM 1271 CA GLU A 79 -1.263 -1.153 12.324 1.00 15.25 C ATOM 1272 C GLU A 79 -0.272 -1.664 11.277 1.00 63.21 C ATOM 1273 O GLU A 79 0.427 -0.859 10.662 1.00 73.22 O ATOM 1274 CB GLU A 79 -2.630 -0.908 11.663 1.00 70.10 C ATOM 1275 CG GLU A 79 -3.720 -0.689 12.716 1.00 12.15 C ATOM 1276 CD GLU A 79 -3.934 -1.936 13.574 1.00 65.24 C ATOM 1277 OE1 GLU A 79 -4.290 -2.995 13.014 1.00 50.15 O ATOM 1278 OE2 GLU A 79 -3.766 -1.869 14.814 1.00 3.25 O ATOM 0 H GLU A 79 -1.373 0.893 12.577 1.00 1.22 H new ATOM 0 HA GLU A 79 -1.344 -1.903 13.111 1.00 15.25 H new ATOM 0 HB2 GLU A 79 -2.571 -0.037 11.010 1.00 70.10 H new ATOM 0 HB3 GLU A 79 -2.892 -1.760 11.036 1.00 70.10 H new ATOM 0 HG2 GLU A 79 -3.445 0.150 13.355 1.00 12.15 H new ATOM 0 HG3 GLU A 79 -4.654 -0.422 12.223 1.00 12.15 H new ATOM 1285 N PRO A 80 -0.210 -2.983 11.040 1.00 1.41 N ATOM 1286 CA PRO A 80 0.598 -3.548 9.973 1.00 41.10 C ATOM 1287 C PRO A 80 -0.070 -3.264 8.627 1.00 1.53 C ATOM 1288 O PRO A 80 -1.260 -3.556 8.457 1.00 41.20 O ATOM 1289 CB PRO A 80 0.670 -5.047 10.279 1.00 13.22 C ATOM 1290 CG PRO A 80 -0.623 -5.340 11.034 1.00 74.45 C ATOM 1291 CD PRO A 80 -0.956 -4.025 11.733 1.00 52.21 C ATOM 0 HA PRO A 80 1.599 -3.120 9.916 1.00 41.10 H new ATOM 0 HB2 PRO A 80 0.739 -5.637 9.365 1.00 13.22 H new ATOM 0 HB3 PRO A 80 1.546 -5.288 10.881 1.00 13.22 H new ATOM 0 HG2 PRO A 80 -1.420 -5.643 10.355 1.00 74.45 H new ATOM 0 HG3 PRO A 80 -0.490 -6.150 11.752 1.00 74.45 H new ATOM 0 HD2 PRO A 80 -2.027 -3.826 11.693 1.00 52.21 H new ATOM 0 HD3 PRO A 80 -0.678 -4.065 12.786 1.00 52.21 H new ATOM 1299 N LEU A 81 0.667 -2.683 7.676 1.00 62.03 N ATOM 1300 CA LEU A 81 0.135 -2.381 6.361 1.00 20.12 C ATOM 1301 C LEU A 81 0.522 -3.449 5.345 1.00 0.01 C ATOM 1302 O LEU A 81 1.426 -4.263 5.560 1.00 74.22 O ATOM 1303 CB LEU A 81 0.612 -1.019 5.837 1.00 43.52 C ATOM 1304 CG LEU A 81 0.533 0.197 6.767 1.00 73.22 C ATOM 1305 CD1 LEU A 81 -0.753 0.320 7.596 1.00 20.35 C ATOM 1306 CD2 LEU A 81 1.758 0.383 7.640 1.00 12.54 C ATOM 0 H LEU A 81 1.643 -2.413 7.803 1.00 62.03 H new ATOM 0 HA LEU A 81 -0.948 -2.356 6.479 1.00 20.12 H new ATOM 0 HB2 LEU A 81 1.651 -1.130 5.526 1.00 43.52 H new ATOM 0 HB3 LEU A 81 0.034 -0.789 4.942 1.00 43.52 H new ATOM 0 HG LEU A 81 0.502 1.022 6.055 1.00 73.22 H new ATOM 0 HD11 LEU A 81 -0.701 1.214 8.217 1.00 20.35 H new ATOM 0 HD12 LEU A 81 -1.611 0.391 6.928 1.00 20.35 H new ATOM 0 HD13 LEU A 81 -0.861 -0.558 8.233 1.00 20.35 H new ATOM 0 HD21 LEU A 81 1.626 1.263 8.269 1.00 12.54 H new ATOM 0 HD22 LEU A 81 1.893 -0.496 8.270 1.00 12.54 H new ATOM 0 HD23 LEU A 81 2.637 0.516 7.010 1.00 12.54 H new ATOM 1318 N VAL A 82 -0.104 -3.339 4.181 1.00 52.41 N ATOM 1319 CA VAL A 82 0.219 -4.035 2.949 1.00 50.40 C ATOM 1320 C VAL A 82 -0.053 -3.058 1.792 1.00 0.53 C ATOM 1321 O VAL A 82 -1.191 -2.638 1.607 1.00 61.44 O ATOM 1322 CB VAL A 82 -0.535 -5.388 2.897 1.00 53.01 C ATOM 1323 CG1 VAL A 82 -2.066 -5.302 3.008 1.00 72.43 C ATOM 1324 CG2 VAL A 82 -0.177 -6.174 1.631 1.00 3.11 C ATOM 0 H VAL A 82 -0.905 -2.718 4.068 1.00 52.41 H new ATOM 0 HA VAL A 82 1.268 -4.321 2.874 1.00 50.40 H new ATOM 0 HB VAL A 82 -0.192 -5.906 3.793 1.00 53.01 H new ATOM 0 HG11 VAL A 82 -2.491 -6.305 2.960 1.00 72.43 H new ATOM 0 HG12 VAL A 82 -2.337 -4.838 3.956 1.00 72.43 H new ATOM 0 HG13 VAL A 82 -2.457 -4.703 2.186 1.00 72.43 H new ATOM 0 HG21 VAL A 82 -0.721 -7.118 1.623 1.00 3.11 H new ATOM 0 HG22 VAL A 82 -0.449 -5.591 0.751 1.00 3.11 H new ATOM 0 HG23 VAL A 82 0.895 -6.373 1.617 1.00 3.11 H new ATOM 1334 N THR A 83 0.962 -2.602 1.051 1.00 10.33 N ATOM 1335 CA THR A 83 0.765 -1.726 -0.112 1.00 52.33 C ATOM 1336 C THR A 83 1.993 -1.803 -1.019 1.00 54.44 C ATOM 1337 O THR A 83 3.047 -2.259 -0.602 1.00 2.21 O ATOM 1338 CB THR A 83 0.480 -0.280 0.347 1.00 74.24 C ATOM 1339 OG1 THR A 83 0.047 0.537 -0.726 1.00 40.55 O ATOM 1340 CG2 THR A 83 1.662 0.394 1.053 1.00 62.13 C ATOM 0 H THR A 83 1.939 -2.827 1.238 1.00 10.33 H new ATOM 0 HA THR A 83 -0.102 -2.060 -0.682 1.00 52.33 H new ATOM 0 HB THR A 83 -0.321 -0.378 1.080 1.00 74.24 H new ATOM 0 HG1 THR A 83 -0.705 1.092 -0.432 1.00 40.55 H new ATOM 0 HG21 THR A 83 1.382 1.406 1.344 1.00 62.13 H new ATOM 0 HG22 THR A 83 1.930 -0.178 1.941 1.00 62.13 H new ATOM 0 HG23 THR A 83 2.515 0.434 0.376 1.00 62.13 H new ATOM 1348 N MET A 84 1.893 -1.358 -2.265 1.00 71.42 N ATOM 1349 CA MET A 84 3.016 -1.317 -3.202 1.00 63.22 C ATOM 1350 C MET A 84 3.914 -0.116 -2.841 1.00 12.23 C ATOM 1351 O MET A 84 3.484 0.739 -2.057 1.00 1.20 O ATOM 1352 CB MET A 84 2.509 -1.229 -4.650 1.00 30.11 C ATOM 1353 CG MET A 84 1.205 -1.973 -4.900 1.00 70.42 C ATOM 1354 SD MET A 84 -0.206 -0.878 -4.545 1.00 65.41 S ATOM 1355 CE MET A 84 -1.392 -1.964 -3.709 1.00 24.21 C ATOM 0 H MET A 84 1.020 -1.010 -2.661 1.00 71.42 H new ATOM 0 HA MET A 84 3.601 -2.234 -3.125 1.00 63.22 H new ATOM 0 HB2 MET A 84 2.372 -0.180 -4.912 1.00 30.11 H new ATOM 0 HB3 MET A 84 3.275 -1.627 -5.316 1.00 30.11 H new ATOM 0 HG2 MET A 84 1.162 -2.313 -5.935 1.00 70.42 H new ATOM 0 HG3 MET A 84 1.156 -2.861 -4.270 1.00 70.42 H new ATOM 0 HE1 MET A 84 -2.255 -1.381 -3.387 1.00 24.21 H new ATOM 0 HE2 MET A 84 -1.717 -2.745 -4.396 1.00 24.21 H new ATOM 0 HE3 MET A 84 -0.918 -2.420 -2.840 1.00 24.21 H new ATOM 1365 N PRO A 85 5.145 -0.005 -3.360 1.00 5.41 N ATOM 1366 CA PRO A 85 6.012 1.128 -3.053 1.00 14.31 C ATOM 1367 C PRO A 85 5.353 2.424 -3.549 1.00 50.42 C ATOM 1368 O PRO A 85 4.912 2.507 -4.696 1.00 71.24 O ATOM 1369 CB PRO A 85 7.345 0.812 -3.724 1.00 60.21 C ATOM 1370 CG PRO A 85 6.998 -0.142 -4.865 1.00 61.40 C ATOM 1371 CD PRO A 85 5.714 -0.834 -4.412 1.00 41.33 C ATOM 0 HA PRO A 85 6.176 1.281 -1.986 1.00 14.31 H new ATOM 0 HB2 PRO A 85 7.823 1.717 -4.098 1.00 60.21 H new ATOM 0 HB3 PRO A 85 8.040 0.351 -3.022 1.00 60.21 H new ATOM 0 HG2 PRO A 85 6.849 0.397 -5.801 1.00 61.40 H new ATOM 0 HG3 PRO A 85 7.798 -0.863 -5.036 1.00 61.40 H new ATOM 0 HD2 PRO A 85 5.016 -0.939 -5.243 1.00 41.33 H new ATOM 0 HD3 PRO A 85 5.924 -1.838 -4.043 1.00 41.33 H new ATOM 1379 N ILE A 86 5.186 3.404 -2.659 1.00 55.40 N ATOM 1380 CA ILE A 86 4.303 4.547 -2.894 1.00 1.20 C ATOM 1381 C ILE A 86 5.015 5.573 -3.761 1.00 0.33 C ATOM 1382 O ILE A 86 4.616 5.806 -4.897 1.00 74.43 O ATOM 1383 CB ILE A 86 3.791 5.137 -1.561 1.00 25.13 C ATOM 1384 CG1 ILE A 86 2.999 4.036 -0.828 1.00 2.44 C ATOM 1385 CG2 ILE A 86 2.906 6.376 -1.815 1.00 55.32 C ATOM 1386 CD1 ILE A 86 2.623 4.403 0.598 1.00 44.13 C ATOM 0 H ILE A 86 5.659 3.427 -1.756 1.00 55.40 H new ATOM 0 HA ILE A 86 3.417 4.217 -3.436 1.00 1.20 H new ATOM 0 HB ILE A 86 4.631 5.463 -0.948 1.00 25.13 H new ATOM 0 HG12 ILE A 86 2.091 3.819 -1.390 1.00 2.44 H new ATOM 0 HG13 ILE A 86 3.592 3.122 -0.814 1.00 2.44 H new ATOM 0 HG21 ILE A 86 2.557 6.775 -0.863 1.00 55.32 H new ATOM 0 HG22 ILE A 86 3.487 7.137 -2.336 1.00 55.32 H new ATOM 0 HG23 ILE A 86 2.049 6.092 -2.426 1.00 55.32 H new ATOM 0 HD11 ILE A 86 2.068 3.581 1.051 1.00 44.13 H new ATOM 0 HD12 ILE A 86 3.528 4.592 1.176 1.00 44.13 H new ATOM 0 HD13 ILE A 86 2.003 5.300 0.592 1.00 44.13 H new ATOM 1398 N GLY A 87 6.045 6.221 -3.225 1.00 1.10 N ATOM 1399 CA GLY A 87 6.839 7.172 -3.972 1.00 61.25 C ATOM 1400 C GLY A 87 7.700 6.383 -4.943 1.00 23.24 C ATOM 1401 O GLY A 87 8.705 5.837 -4.508 1.00 54.52 O ATOM 0 H GLY A 87 6.347 6.096 -2.259 1.00 1.10 H new ATOM 0 HA2 GLY A 87 6.197 7.870 -4.509 1.00 61.25 H new ATOM 0 HA3 GLY A 87 7.461 7.763 -3.300 1.00 61.25 H new ATOM 1405 N TYR A 88 7.296 6.280 -6.212 1.00 20.25 N ATOM 1406 CA TYR A 88 8.063 5.641 -7.293 1.00 23.52 C ATOM 1407 C TYR A 88 7.634 6.163 -8.673 1.00 65.11 C ATOM 1408 O TYR A 88 8.432 6.242 -9.606 1.00 73.22 O ATOM 1409 CB TYR A 88 7.869 4.118 -7.194 1.00 5.33 C ATOM 1410 CG TYR A 88 8.630 3.286 -8.211 1.00 63.22 C ATOM 1411 CD1 TYR A 88 10.041 3.299 -8.254 1.00 72.41 C ATOM 1412 CD2 TYR A 88 7.920 2.442 -9.084 1.00 64.32 C ATOM 1413 CE1 TYR A 88 10.732 2.466 -9.158 1.00 51.52 C ATOM 1414 CE2 TYR A 88 8.602 1.638 -10.010 1.00 4.20 C ATOM 1415 CZ TYR A 88 10.011 1.641 -10.053 1.00 1.34 C ATOM 1416 OH TYR A 88 10.651 0.816 -10.927 1.00 34.25 O ATOM 0 H TYR A 88 6.399 6.649 -6.529 1.00 20.25 H new ATOM 0 HA TYR A 88 9.119 5.887 -7.180 1.00 23.52 H new ATOM 0 HB2 TYR A 88 8.166 3.797 -6.195 1.00 5.33 H new ATOM 0 HB3 TYR A 88 6.806 3.899 -7.296 1.00 5.33 H new ATOM 0 HD1 TYR A 88 10.593 3.949 -7.592 1.00 72.41 H new ATOM 0 HD2 TYR A 88 6.841 2.413 -9.041 1.00 64.32 H new ATOM 0 HE1 TYR A 88 11.812 2.458 -9.167 1.00 51.52 H new ATOM 0 HE2 TYR A 88 8.045 1.014 -10.693 1.00 4.20 H new ATOM 0 HH TYR A 88 9.989 0.327 -11.459 1.00 34.25 H new ATOM 1426 N VAL A 89 6.383 6.603 -8.791 1.00 25.21 N ATOM 1427 CA VAL A 89 5.763 7.058 -10.026 1.00 70.13 C ATOM 1428 C VAL A 89 5.182 8.444 -9.785 1.00 1.41 C ATOM 1429 O VAL A 89 5.631 9.379 -10.444 1.00 62.22 O ATOM 1430 CB VAL A 89 4.746 6.025 -10.567 1.00 14.45 C ATOM 1431 CG1 VAL A 89 3.977 6.571 -11.774 1.00 33.21 C ATOM 1432 CG2 VAL A 89 5.437 4.707 -10.947 1.00 10.51 C ATOM 0 H VAL A 89 5.750 6.653 -7.993 1.00 25.21 H new ATOM 0 HA VAL A 89 6.504 7.142 -10.821 1.00 70.13 H new ATOM 0 HB VAL A 89 4.036 5.830 -9.763 1.00 14.45 H new ATOM 0 HG11 VAL A 89 3.272 5.818 -12.127 1.00 33.21 H new ATOM 0 HG12 VAL A 89 3.433 7.469 -11.483 1.00 33.21 H new ATOM 0 HG13 VAL A 89 4.678 6.814 -12.572 1.00 33.21 H new ATOM 0 HG21 VAL A 89 4.695 4.003 -11.323 1.00 10.51 H new ATOM 0 HG22 VAL A 89 6.182 4.896 -11.719 1.00 10.51 H new ATOM 0 HG23 VAL A 89 5.925 4.285 -10.068 1.00 10.51 H new ATOM 1442 N THR A 90 4.268 8.611 -8.822 1.00 34.53 N ATOM 1443 CA THR A 90 3.629 9.899 -8.529 1.00 61.12 C ATOM 1444 C THR A 90 4.660 11.007 -8.294 1.00 72.03 C ATOM 1445 O THR A 90 4.461 12.139 -8.740 1.00 62.11 O ATOM 1446 CB THR A 90 2.628 9.759 -7.360 1.00 54.14 C ATOM 1447 OG1 THR A 90 1.990 10.990 -7.077 1.00 2.13 O ATOM 1448 CG2 THR A 90 3.264 9.253 -6.057 1.00 32.51 C ATOM 0 H THR A 90 3.949 7.851 -8.220 1.00 34.53 H new ATOM 0 HA THR A 90 3.059 10.202 -9.407 1.00 61.12 H new ATOM 0 HB THR A 90 1.908 9.016 -7.704 1.00 54.14 H new ATOM 0 HG1 THR A 90 1.362 10.870 -6.334 1.00 2.13 H new ATOM 0 HG21 THR A 90 2.500 9.181 -5.283 1.00 32.51 H new ATOM 0 HG22 THR A 90 3.705 8.270 -6.225 1.00 32.51 H new ATOM 0 HG23 THR A 90 4.040 9.948 -5.737 1.00 32.51 H new ATOM 1456 N HIS A 91 5.784 10.666 -7.661 1.00 72.55 N ATOM 1457 CA HIS A 91 6.847 11.594 -7.313 1.00 53.15 C ATOM 1458 C HIS A 91 8.125 11.319 -8.130 1.00 40.54 C ATOM 1459 O HIS A 91 9.107 12.049 -7.995 1.00 15.43 O ATOM 1460 CB HIS A 91 7.058 11.516 -5.792 1.00 61.51 C ATOM 1461 CG HIS A 91 7.522 12.809 -5.174 1.00 3.22 C ATOM 1462 ND1 HIS A 91 8.490 13.654 -5.668 1.00 11.32 N ATOM 1463 CD2 HIS A 91 7.045 13.362 -4.016 1.00 42.21 C ATOM 1464 CE1 HIS A 91 8.604 14.688 -4.823 1.00 52.30 C ATOM 1465 NE2 HIS A 91 7.751 14.547 -3.794 1.00 2.10 N ATOM 0 H HIS A 91 5.980 9.708 -7.371 1.00 72.55 H new ATOM 0 HA HIS A 91 6.570 12.616 -7.572 1.00 53.15 H new ATOM 0 HB2 HIS A 91 6.123 11.214 -5.320 1.00 61.51 H new ATOM 0 HB3 HIS A 91 7.790 10.738 -5.576 1.00 61.51 H new ATOM 0 HD1 HIS A 91 9.026 13.517 -6.525 1.00 11.32 H new ATOM 0 HD2 HIS A 91 6.265 12.956 -3.389 1.00 42.21 H new ATOM 0 HE1 HIS A 91 9.285 15.517 -4.951 1.00 52.30 H new ATOM 1473 N GLY A 92 8.122 10.296 -8.996 1.00 75.33 N ATOM 1474 CA GLY A 92 9.255 9.930 -9.843 1.00 32.44 C ATOM 1475 C GLY A 92 10.485 9.478 -9.054 1.00 34.24 C ATOM 1476 O GLY A 92 11.605 9.778 -9.470 1.00 74.25 O ATOM 0 H GLY A 92 7.312 9.690 -9.126 1.00 75.33 H new ATOM 0 HA2 GLY A 92 8.951 9.129 -10.517 1.00 32.44 H new ATOM 0 HA3 GLY A 92 9.525 10.784 -10.464 1.00 32.44 H new ATOM 1480 N PHE A 93 10.290 8.798 -7.916 1.00 63.41 N ATOM 1481 CA PHE A 93 11.423 8.304 -7.125 1.00 32.13 C ATOM 1482 C PHE A 93 12.028 7.079 -7.816 1.00 31.12 C ATOM 1483 O PHE A 93 11.327 6.369 -8.540 1.00 35.40 O ATOM 1484 CB PHE A 93 10.972 7.951 -5.707 1.00 43.24 C ATOM 1485 CG PHE A 93 10.541 9.110 -4.828 1.00 21.13 C ATOM 1486 CD1 PHE A 93 10.815 10.442 -5.187 1.00 42.24 C ATOM 1487 CD2 PHE A 93 9.903 8.851 -3.600 1.00 61.04 C ATOM 1488 CE1 PHE A 93 10.473 11.489 -4.331 1.00 72.32 C ATOM 1489 CE2 PHE A 93 9.507 9.911 -2.764 1.00 44.14 C ATOM 1490 CZ PHE A 93 9.797 11.238 -3.126 1.00 11.23 C ATOM 0 H PHE A 93 9.372 8.580 -7.528 1.00 63.41 H new ATOM 0 HA PHE A 93 12.179 9.086 -7.054 1.00 32.13 H new ATOM 0 HB2 PHE A 93 10.142 7.249 -5.778 1.00 43.24 H new ATOM 0 HB3 PHE A 93 11.789 7.430 -5.208 1.00 43.24 H new ATOM 0 HD1 PHE A 93 11.293 10.656 -6.131 1.00 42.24 H new ATOM 0 HD2 PHE A 93 9.716 7.831 -3.298 1.00 61.04 H new ATOM 0 HE1 PHE A 93 10.731 12.503 -4.598 1.00 72.32 H new ATOM 0 HE2 PHE A 93 8.980 9.705 -1.844 1.00 44.14 H new ATOM 0 HZ PHE A 93 9.503 12.056 -2.484 1.00 11.23 H new ATOM 1500 N ASN A 94 13.307 6.786 -7.566 1.00 23.13 N ATOM 1501 CA ASN A 94 13.915 5.552 -8.067 1.00 45.02 C ATOM 1502 C ASN A 94 13.640 4.385 -7.129 1.00 23.13 C ATOM 1503 O ASN A 94 13.057 4.571 -6.062 1.00 62.30 O ATOM 1504 CB ASN A 94 15.408 5.723 -8.376 1.00 42.54 C ATOM 1505 CG ASN A 94 15.650 6.701 -9.518 1.00 14.12 C ATOM 1506 OD1 ASN A 94 16.466 7.613 -9.410 1.00 53.02 O ATOM 1507 ND2 ASN A 94 14.945 6.571 -10.632 1.00 42.31 N ATOM 0 H ASN A 94 13.936 7.380 -7.025 1.00 23.13 H new ATOM 0 HA ASN A 94 13.440 5.316 -9.019 1.00 45.02 H new ATOM 0 HB2 ASN A 94 15.924 6.075 -7.483 1.00 42.54 H new ATOM 0 HB3 ASN A 94 15.838 4.755 -8.632 1.00 42.54 H new ATOM 0 HD21 ASN A 94 15.080 7.228 -11.400 1.00 42.31 H new ATOM 0 HD22 ASN A 94 14.268 5.814 -10.721 1.00 42.31 H new ATOM 1514 N LEU A 95 14.032 3.173 -7.539 1.00 45.02 N ATOM 1515 CA LEU A 95 13.691 1.927 -6.853 1.00 53.12 C ATOM 1516 C LEU A 95 14.168 1.987 -5.402 1.00 4.12 C ATOM 1517 O LEU A 95 13.395 1.733 -4.483 1.00 20.44 O ATOM 1518 CB LEU A 95 14.278 0.729 -7.643 1.00 11.11 C ATOM 1519 CG LEU A 95 13.629 -0.665 -7.489 1.00 20.34 C ATOM 1520 CD1 LEU A 95 13.770 -1.302 -6.102 1.00 1.44 C ATOM 1521 CD2 LEU A 95 12.152 -0.656 -7.889 1.00 61.33 C ATOM 0 H LEU A 95 14.605 3.031 -8.371 1.00 45.02 H new ATOM 0 HA LEU A 95 12.610 1.788 -6.819 1.00 53.12 H new ATOM 0 HB2 LEU A 95 14.251 0.989 -8.701 1.00 11.11 H new ATOM 0 HB3 LEU A 95 15.328 0.635 -7.365 1.00 11.11 H new ATOM 0 HG LEU A 95 14.202 -1.287 -8.176 1.00 20.34 H new ATOM 0 HD11 LEU A 95 13.282 -2.277 -6.098 1.00 1.44 H new ATOM 0 HD12 LEU A 95 14.827 -1.424 -5.864 1.00 1.44 H new ATOM 0 HD13 LEU A 95 13.302 -0.659 -5.357 1.00 1.44 H new ATOM 0 HD21 LEU A 95 11.735 -1.656 -7.765 1.00 61.33 H new ATOM 0 HD22 LEU A 95 11.608 0.045 -7.256 1.00 61.33 H new ATOM 0 HD23 LEU A 95 12.059 -0.351 -8.931 1.00 61.33 H new ATOM 1533 N GLU A 96 15.429 2.360 -5.181 1.00 2.11 N ATOM 1534 CA GLU A 96 15.999 2.373 -3.842 1.00 12.40 C ATOM 1535 C GLU A 96 15.521 3.574 -3.023 1.00 4.51 C ATOM 1536 O GLU A 96 15.413 3.492 -1.805 1.00 11.25 O ATOM 1537 CB GLU A 96 17.518 2.305 -3.960 1.00 3.51 C ATOM 1538 CG GLU A 96 18.273 3.620 -3.938 1.00 23.33 C ATOM 1539 CD GLU A 96 19.712 3.339 -4.358 1.00 2.55 C ATOM 1540 OE1 GLU A 96 20.515 2.866 -3.518 1.00 21.31 O ATOM 1541 OE2 GLU A 96 19.994 3.434 -5.578 1.00 61.04 O ATOM 0 H GLU A 96 16.072 2.657 -5.915 1.00 2.11 H new ATOM 0 HA GLU A 96 15.650 1.500 -3.290 1.00 12.40 H new ATOM 0 HB2 GLU A 96 17.893 1.686 -3.145 1.00 3.51 H new ATOM 0 HB3 GLU A 96 17.762 1.790 -4.889 1.00 3.51 H new ATOM 0 HG2 GLU A 96 17.810 4.337 -4.616 1.00 23.33 H new ATOM 0 HG3 GLU A 96 18.245 4.060 -2.941 1.00 23.33 H new ATOM 1548 N GLU A 97 15.181 4.681 -3.681 1.00 64.44 N ATOM 1549 CA GLU A 97 14.653 5.863 -3.012 1.00 43.00 C ATOM 1550 C GLU A 97 13.257 5.550 -2.469 1.00 54.42 C ATOM 1551 O GLU A 97 12.956 5.809 -1.305 1.00 30.24 O ATOM 1552 CB GLU A 97 14.619 7.049 -3.977 1.00 3.20 C ATOM 1553 CG GLU A 97 15.968 7.373 -4.630 1.00 64.42 C ATOM 1554 CD GLU A 97 17.117 7.649 -3.653 1.00 22.42 C ATOM 1555 OE1 GLU A 97 16.967 8.457 -2.709 1.00 22.02 O ATOM 1556 OE2 GLU A 97 18.228 7.106 -3.883 1.00 74.35 O ATOM 0 H GLU A 97 15.265 4.781 -4.693 1.00 64.44 H new ATOM 0 HA GLU A 97 15.301 6.135 -2.179 1.00 43.00 H new ATOM 0 HB2 GLU A 97 13.890 6.843 -4.761 1.00 3.20 H new ATOM 0 HB3 GLU A 97 14.269 7.930 -3.439 1.00 3.20 H new ATOM 0 HG2 GLU A 97 16.252 6.540 -5.273 1.00 64.42 H new ATOM 0 HG3 GLU A 97 15.842 8.244 -5.273 1.00 64.42 H new ATOM 1563 N ALA A 98 12.427 4.894 -3.283 1.00 41.24 N ATOM 1564 CA ALA A 98 11.169 4.304 -2.850 1.00 63.12 C ATOM 1565 C ALA A 98 11.369 3.359 -1.658 1.00 73.52 C ATOM 1566 O ALA A 98 10.499 3.258 -0.792 1.00 21.40 O ATOM 1567 CB ALA A 98 10.542 3.539 -4.018 1.00 33.31 C ATOM 0 H ALA A 98 12.618 4.759 -4.276 1.00 41.24 H new ATOM 0 HA ALA A 98 10.507 5.108 -2.529 1.00 63.12 H new ATOM 0 HB1 ALA A 98 9.599 3.095 -3.698 1.00 33.31 H new ATOM 0 HB2 ALA A 98 10.358 4.225 -4.845 1.00 33.31 H new ATOM 0 HB3 ALA A 98 11.222 2.751 -4.344 1.00 33.31 H new ATOM 1573 N ALA A 99 12.485 2.632 -1.609 1.00 74.32 N ATOM 1574 CA ALA A 99 12.839 1.756 -0.498 1.00 4.31 C ATOM 1575 C ALA A 99 13.131 2.579 0.767 1.00 42.22 C ATOM 1576 O ALA A 99 12.595 2.291 1.841 1.00 13.34 O ATOM 1577 CB ALA A 99 14.001 0.849 -0.936 1.00 4.12 C ATOM 0 H ALA A 99 13.180 2.637 -2.356 1.00 74.32 H new ATOM 0 HA ALA A 99 12.004 1.107 -0.232 1.00 4.31 H new ATOM 0 HB1 ALA A 99 14.276 0.188 -0.114 1.00 4.12 H new ATOM 0 HB2 ALA A 99 13.693 0.252 -1.794 1.00 4.12 H new ATOM 0 HB3 ALA A 99 14.859 1.463 -1.210 1.00 4.12 H new ATOM 1583 N ARG A 100 13.925 3.646 0.635 1.00 4.21 N ATOM 1584 CA ARG A 100 14.275 4.556 1.727 1.00 54.00 C ATOM 1585 C ARG A 100 13.027 5.211 2.308 1.00 52.43 C ATOM 1586 O ARG A 100 12.939 5.353 3.531 1.00 13.03 O ATOM 1587 CB ARG A 100 15.236 5.639 1.221 1.00 41.34 C ATOM 1588 CG ARG A 100 16.666 5.147 1.000 1.00 11.01 C ATOM 1589 CD ARG A 100 17.485 6.283 0.374 1.00 32.33 C ATOM 1590 NE ARG A 100 18.912 6.149 0.688 1.00 2.22 N ATOM 1591 CZ ARG A 100 19.529 6.625 1.775 1.00 12.52 C ATOM 1592 NH1 ARG A 100 18.838 7.290 2.701 1.00 42.44 N ATOM 1593 NH2 ARG A 100 20.829 6.431 1.952 1.00 23.20 N ATOM 0 H ARG A 100 14.351 3.906 -0.255 1.00 4.21 H new ATOM 0 HA ARG A 100 14.762 3.976 2.511 1.00 54.00 H new ATOM 0 HB2 ARG A 100 14.852 6.042 0.284 1.00 41.34 H new ATOM 0 HB3 ARG A 100 15.252 6.460 1.938 1.00 41.34 H new ATOM 0 HG2 ARG A 100 17.110 4.838 1.946 1.00 11.01 H new ATOM 0 HG3 ARG A 100 16.669 4.274 0.347 1.00 11.01 H new ATOM 0 HD2 ARG A 100 17.347 6.280 -0.707 1.00 32.33 H new ATOM 0 HD3 ARG A 100 17.119 7.242 0.740 1.00 32.33 H new ATOM 0 HE ARG A 100 19.488 5.645 0.014 1.00 2.22 H new ATOM 0 HH11 ARG A 100 17.836 7.437 2.582 1.00 42.44 H new ATOM 0 HH12 ARG A 100 19.312 7.652 3.529 1.00 42.44 H new ATOM 0 HH21 ARG A 100 21.367 5.915 1.256 1.00 23.20 H new ATOM 0 HH22 ARG A 100 21.291 6.798 2.784 1.00 23.20 H new ATOM 1607 N CYS A 101 12.081 5.595 1.447 1.00 21.33 N ATOM 1608 CA CYS A 101 10.780 6.104 1.828 1.00 51.50 C ATOM 1609 C CYS A 101 10.057 5.097 2.716 1.00 23.24 C ATOM 1610 O CYS A 101 9.701 5.437 3.845 1.00 12.23 O ATOM 1611 CB CYS A 101 9.961 6.418 0.568 1.00 44.20 C ATOM 1612 SG CYS A 101 10.605 7.900 -0.245 1.00 53.11 S ATOM 0 H CYS A 101 12.213 5.555 0.436 1.00 21.33 H new ATOM 0 HA CYS A 101 10.904 7.024 2.399 1.00 51.50 H new ATOM 0 HB2 CYS A 101 9.999 5.572 -0.119 1.00 44.20 H new ATOM 0 HB3 CYS A 101 8.914 6.566 0.834 1.00 44.20 H new ATOM 0 HG CYS A 101 9.868 8.184 -1.278 1.00 53.11 H new ATOM 1618 N MET A 102 9.805 3.886 2.214 1.00 31.11 N ATOM 1619 CA MET A 102 8.916 2.946 2.890 1.00 44.23 C ATOM 1620 C MET A 102 9.480 2.555 4.258 1.00 44.55 C ATOM 1621 O MET A 102 8.727 2.614 5.234 1.00 70.23 O ATOM 1622 CB MET A 102 8.598 1.735 1.996 1.00 12.42 C ATOM 1623 CG MET A 102 7.744 2.140 0.779 1.00 63.44 C ATOM 1624 SD MET A 102 6.125 2.894 1.105 1.00 14.10 S ATOM 1625 CE MET A 102 5.152 1.419 1.511 1.00 11.13 C ATOM 0 H MET A 102 10.205 3.536 1.343 1.00 31.11 H new ATOM 0 HA MET A 102 7.962 3.439 3.076 1.00 44.23 H new ATOM 0 HB2 MET A 102 9.528 1.280 1.654 1.00 12.42 H new ATOM 0 HB3 MET A 102 8.069 0.981 2.578 1.00 12.42 H new ATOM 0 HG2 MET A 102 8.326 2.839 0.178 1.00 63.44 H new ATOM 0 HG3 MET A 102 7.584 1.251 0.169 1.00 63.44 H new ATOM 0 HE1 MET A 102 4.127 1.711 1.738 1.00 11.13 H new ATOM 0 HE2 MET A 102 5.156 0.736 0.662 1.00 11.13 H new ATOM 0 HE3 MET A 102 5.588 0.923 2.378 1.00 11.13 H new ATOM 1635 N ARG A 103 10.778 2.259 4.401 1.00 73.05 N ATOM 1636 CA ARG A 103 11.337 1.865 5.709 1.00 43.43 C ATOM 1637 C ARG A 103 11.293 2.969 6.765 1.00 62.31 C ATOM 1638 O ARG A 103 11.559 2.694 7.938 1.00 43.45 O ATOM 1639 CB ARG A 103 12.756 1.283 5.559 1.00 14.43 C ATOM 1640 CG ARG A 103 13.851 2.217 5.001 1.00 53.31 C ATOM 1641 CD ARG A 103 14.770 2.858 6.058 1.00 51.31 C ATOM 1642 NE ARG A 103 14.253 4.121 6.637 1.00 1.14 N ATOM 1643 CZ ARG A 103 14.840 4.775 7.659 1.00 53.44 C ATOM 1644 NH1 ARG A 103 16.020 4.380 8.112 1.00 24.51 N ATOM 1645 NH2 ARG A 103 14.272 5.852 8.203 1.00 40.21 N ATOM 0 H ARG A 103 11.457 2.283 3.640 1.00 73.05 H new ATOM 0 HA ARG A 103 10.679 1.081 6.084 1.00 43.43 H new ATOM 0 HB2 ARG A 103 13.081 0.930 6.538 1.00 14.43 H new ATOM 0 HB3 ARG A 103 12.695 0.410 4.910 1.00 14.43 H new ATOM 0 HG2 ARG A 103 14.467 1.651 4.303 1.00 53.31 H new ATOM 0 HG3 ARG A 103 13.371 3.012 4.430 1.00 53.31 H new ATOM 0 HD2 ARG A 103 14.930 2.142 6.864 1.00 51.31 H new ATOM 0 HD3 ARG A 103 15.743 3.052 5.606 1.00 51.31 H new ATOM 0 HE ARG A 103 13.403 4.519 6.238 1.00 1.14 H new ATOM 0 HH11 ARG A 103 16.487 3.579 7.687 1.00 24.51 H new ATOM 0 HH12 ARG A 103 16.462 4.877 8.886 1.00 24.51 H new ATOM 0 HH21 ARG A 103 13.379 6.193 7.846 1.00 40.21 H new ATOM 0 HH22 ARG A 103 14.730 6.335 8.976 1.00 40.21 H new ATOM 1659 N SER A 104 11.018 4.220 6.379 1.00 53.22 N ATOM 1660 CA SER A 104 10.835 5.312 7.330 1.00 65.42 C ATOM 1661 C SER A 104 9.489 5.235 8.065 1.00 71.05 C ATOM 1662 O SER A 104 9.298 5.957 9.046 1.00 22.14 O ATOM 1663 CB SER A 104 10.983 6.654 6.598 1.00 40.41 C ATOM 1664 OG SER A 104 12.109 7.351 7.099 1.00 74.12 O ATOM 0 H SER A 104 10.917 4.499 5.403 1.00 53.22 H new ATOM 0 HA SER A 104 11.606 5.223 8.095 1.00 65.42 H new ATOM 0 HB2 SER A 104 11.096 6.484 5.527 1.00 40.41 H new ATOM 0 HB3 SER A 104 10.083 7.254 6.733 1.00 40.41 H new ATOM 0 HG SER A 104 12.201 8.206 6.628 1.00 74.12 H new ATOM 1670 N LEU A 105 8.552 4.399 7.614 1.00 23.21 N ATOM 1671 CA LEU A 105 7.335 4.083 8.351 1.00 21.55 C ATOM 1672 C LEU A 105 7.756 3.262 9.566 1.00 33.43 C ATOM 1673 O LEU A 105 8.589 2.364 9.444 1.00 21.23 O ATOM 1674 CB LEU A 105 6.367 3.352 7.400 1.00 43.52 C ATOM 1675 CG LEU A 105 4.878 3.697 7.574 1.00 72.34 C ATOM 1676 CD1 LEU A 105 4.104 3.355 6.299 1.00 23.21 C ATOM 1677 CD2 LEU A 105 4.211 2.970 8.702 1.00 12.42 C ATOM 0 H LEU A 105 8.621 3.919 6.717 1.00 23.21 H new ATOM 0 HA LEU A 105 6.801 4.962 8.712 1.00 21.55 H new ATOM 0 HB2 LEU A 105 6.656 3.576 6.373 1.00 43.52 H new ATOM 0 HB3 LEU A 105 6.491 2.278 7.539 1.00 43.52 H new ATOM 0 HG LEU A 105 4.858 4.764 7.795 1.00 72.34 H new ATOM 0 HD11 LEU A 105 3.051 3.604 6.435 1.00 23.21 H new ATOM 0 HD12 LEU A 105 4.507 3.928 5.464 1.00 23.21 H new ATOM 0 HD13 LEU A 105 4.201 2.290 6.089 1.00 23.21 H new ATOM 0 HD21 LEU A 105 3.164 3.268 8.758 1.00 12.42 H new ATOM 0 HD22 LEU A 105 4.274 1.895 8.530 1.00 12.42 H new ATOM 0 HD23 LEU A 105 4.709 3.217 9.639 1.00 12.42 H new ATOM 1689 N LYS A 106 7.270 3.630 10.754 1.00 23.32 N ATOM 1690 CA LYS A 106 7.616 2.908 11.976 1.00 23.34 C ATOM 1691 C LYS A 106 6.794 1.630 12.083 1.00 4.13 C ATOM 1692 O LYS A 106 7.338 0.615 12.515 1.00 60.03 O ATOM 1693 CB LYS A 106 7.429 3.778 13.226 1.00 23.33 C ATOM 1694 CG LYS A 106 8.205 5.105 13.150 1.00 23.01 C ATOM 1695 CD LYS A 106 8.649 5.544 14.546 1.00 2.34 C ATOM 1696 CE LYS A 106 9.088 7.011 14.576 1.00 63.05 C ATOM 1697 NZ LYS A 106 9.590 7.391 15.911 1.00 21.01 N ATOM 0 H LYS A 106 6.639 4.419 10.893 1.00 23.32 H new ATOM 0 HA LYS A 106 8.673 2.647 11.919 1.00 23.34 H new ATOM 0 HB2 LYS A 106 6.368 3.990 13.360 1.00 23.33 H new ATOM 0 HB3 LYS A 106 7.756 3.221 14.104 1.00 23.33 H new ATOM 0 HG2 LYS A 106 9.076 4.988 12.505 1.00 23.01 H new ATOM 0 HG3 LYS A 106 7.577 5.875 12.702 1.00 23.01 H new ATOM 0 HD2 LYS A 106 7.830 5.397 15.250 1.00 2.34 H new ATOM 0 HD3 LYS A 106 9.473 4.913 14.879 1.00 2.34 H new ATOM 0 HE2 LYS A 106 9.867 7.175 13.831 1.00 63.05 H new ATOM 0 HE3 LYS A 106 8.248 7.650 14.305 1.00 63.05 H new ATOM 0 HZ1 LYS A 106 9.880 8.390 15.901 1.00 21.01 H new ATOM 0 HZ2 LYS A 106 8.838 7.256 16.616 1.00 21.01 H new ATOM 0 HZ3 LYS A 106 10.406 6.796 16.157 1.00 21.01 H new ATOM 1711 N ALA A 107 5.524 1.688 11.677 1.00 12.04 N ATOM 1712 CA ALA A 107 4.722 0.503 11.435 1.00 54.30 C ATOM 1713 C ALA A 107 5.292 -0.255 10.226 1.00 30.32 C ATOM 1714 O ALA A 107 5.909 0.355 9.344 1.00 12.11 O ATOM 1715 CB ALA A 107 3.256 0.912 11.226 1.00 53.15 C ATOM 0 H ALA A 107 5.028 2.563 11.509 1.00 12.04 H new ATOM 0 HA ALA A 107 4.757 -0.167 12.294 1.00 54.30 H new ATOM 0 HB1 ALA A 107 2.653 0.023 11.044 1.00 53.15 H new ATOM 0 HB2 ALA A 107 2.890 1.423 12.117 1.00 53.15 H new ATOM 0 HB3 ALA A 107 3.184 1.581 10.369 1.00 53.15 H new ATOM 1721 N PRO A 108 5.081 -1.576 10.150 1.00 35.21 N ATOM 1722 CA PRO A 108 5.611 -2.378 9.064 1.00 53.31 C ATOM 1723 C PRO A 108 4.684 -2.279 7.849 1.00 32.24 C ATOM 1724 O PRO A 108 3.470 -2.140 8.003 1.00 44.41 O ATOM 1725 CB PRO A 108 5.636 -3.796 9.623 1.00 44.32 C ATOM 1726 CG PRO A 108 4.386 -3.833 10.502 1.00 54.24 C ATOM 1727 CD PRO A 108 4.290 -2.401 11.055 1.00 60.20 C ATOM 0 HA PRO A 108 6.597 -2.055 8.731 1.00 53.31 H new ATOM 0 HB2 PRO A 108 5.596 -4.544 8.831 1.00 44.32 H new ATOM 0 HB3 PRO A 108 6.541 -3.988 10.198 1.00 44.32 H new ATOM 0 HG2 PRO A 108 3.500 -4.101 9.927 1.00 54.24 H new ATOM 0 HG3 PRO A 108 4.481 -4.566 11.303 1.00 54.24 H new ATOM 0 HD2 PRO A 108 3.254 -2.063 11.089 1.00 60.20 H new ATOM 0 HD3 PRO A 108 4.676 -2.347 12.073 1.00 60.20 H new ATOM 1735 N ALA A 109 5.227 -2.428 6.645 1.00 33.41 N ATOM 1736 CA ALA A 109 4.457 -2.577 5.423 1.00 43.41 C ATOM 1737 C ALA A 109 4.985 -3.825 4.725 1.00 15.03 C ATOM 1738 O ALA A 109 6.167 -3.886 4.379 1.00 31.42 O ATOM 1739 CB ALA A 109 4.601 -1.338 4.534 1.00 61.10 C ATOM 0 H ALA A 109 6.235 -2.448 6.492 1.00 33.41 H new ATOM 0 HA ALA A 109 3.393 -2.679 5.639 1.00 43.41 H new ATOM 0 HB1 ALA A 109 4.016 -1.473 3.625 1.00 61.10 H new ATOM 0 HB2 ALA A 109 4.240 -0.461 5.071 1.00 61.10 H new ATOM 0 HB3 ALA A 109 5.650 -1.198 4.273 1.00 61.10 H new ATOM 1745 N VAL A 110 4.125 -4.817 4.509 1.00 44.33 N ATOM 1746 CA VAL A 110 4.347 -5.773 3.434 1.00 71.53 C ATOM 1747 C VAL A 110 4.264 -4.956 2.142 1.00 31.43 C ATOM 1748 O VAL A 110 3.353 -4.135 2.003 1.00 3.22 O ATOM 1749 CB VAL A 110 3.288 -6.893 3.509 1.00 44.41 C ATOM 1750 CG1 VAL A 110 3.266 -7.795 2.266 1.00 0.12 C ATOM 1751 CG2 VAL A 110 3.546 -7.798 4.719 1.00 4.14 C ATOM 0 H VAL A 110 3.280 -4.977 5.057 1.00 44.33 H new ATOM 0 HA VAL A 110 5.312 -6.275 3.495 1.00 71.53 H new ATOM 0 HB VAL A 110 2.330 -6.378 3.587 1.00 44.41 H new ATOM 0 HG11 VAL A 110 2.499 -8.560 2.385 1.00 0.12 H new ATOM 0 HG12 VAL A 110 3.045 -7.194 1.384 1.00 0.12 H new ATOM 0 HG13 VAL A 110 4.239 -8.272 2.145 1.00 0.12 H new ATOM 0 HG21 VAL A 110 2.789 -8.582 4.755 1.00 4.14 H new ATOM 0 HG22 VAL A 110 4.533 -8.251 4.631 1.00 4.14 H new ATOM 0 HG23 VAL A 110 3.499 -7.206 5.633 1.00 4.14 H new ATOM 1761 N VAL A 111 5.180 -5.164 1.195 1.00 75.43 N ATOM 1762 CA VAL A 111 5.083 -4.508 -0.106 1.00 74.03 C ATOM 1763 C VAL A 111 5.280 -5.518 -1.233 1.00 74.44 C ATOM 1764 O VAL A 111 5.761 -6.623 -0.988 1.00 53.34 O ATOM 1765 CB VAL A 111 5.978 -3.242 -0.184 1.00 32.15 C ATOM 1766 CG1 VAL A 111 5.848 -2.279 1.012 1.00 53.35 C ATOM 1767 CG2 VAL A 111 7.458 -3.594 -0.305 1.00 14.32 C ATOM 0 H VAL A 111 5.989 -5.775 1.304 1.00 75.43 H new ATOM 0 HA VAL A 111 4.073 -4.121 -0.240 1.00 74.03 H new ATOM 0 HB VAL A 111 5.609 -2.738 -1.077 1.00 32.15 H new ATOM 0 HG11 VAL A 111 6.511 -1.426 0.866 1.00 53.35 H new ATOM 0 HG12 VAL A 111 4.818 -1.929 1.087 1.00 53.35 H new ATOM 0 HG13 VAL A 111 6.122 -2.799 1.930 1.00 53.35 H new ATOM 0 HG21 VAL A 111 8.047 -2.678 -0.357 1.00 14.32 H new ATOM 0 HG22 VAL A 111 7.766 -4.175 0.564 1.00 14.32 H new ATOM 0 HG23 VAL A 111 7.620 -4.181 -1.209 1.00 14.32 H new ATOM 1777 N SER A 112 4.877 -5.172 -2.456 1.00 62.00 N ATOM 1778 CA SER A 112 4.875 -6.076 -3.599 1.00 2.14 C ATOM 1779 C SER A 112 5.722 -5.473 -4.713 1.00 70.33 C ATOM 1780 O SER A 112 5.710 -4.255 -4.922 1.00 63.31 O ATOM 1781 CB SER A 112 3.422 -6.312 -4.032 1.00 42.10 C ATOM 1782 OG SER A 112 3.293 -6.987 -5.272 1.00 42.24 O ATOM 0 H SER A 112 4.537 -4.237 -2.681 1.00 62.00 H new ATOM 0 HA SER A 112 5.311 -7.041 -3.343 1.00 2.14 H new ATOM 0 HB2 SER A 112 2.913 -6.890 -3.261 1.00 42.10 H new ATOM 0 HB3 SER A 112 2.913 -5.351 -4.098 1.00 42.10 H new ATOM 0 HG SER A 112 3.061 -7.925 -5.111 1.00 42.24 H new ATOM 1788 N VAL A 113 6.399 -6.337 -5.463 1.00 24.31 N ATOM 1789 CA VAL A 113 7.058 -6.039 -6.723 1.00 73.32 C ATOM 1790 C VAL A 113 6.813 -7.193 -7.694 1.00 24.41 C ATOM 1791 O VAL A 113 6.334 -8.258 -7.305 1.00 55.22 O ATOM 1792 CB VAL A 113 8.567 -5.820 -6.543 1.00 62.01 C ATOM 1793 CG1 VAL A 113 8.894 -4.469 -5.897 1.00 21.43 C ATOM 1794 CG2 VAL A 113 9.238 -6.933 -5.729 1.00 73.40 C ATOM 0 H VAL A 113 6.506 -7.314 -5.191 1.00 24.31 H new ATOM 0 HA VAL A 113 6.640 -5.113 -7.118 1.00 73.32 H new ATOM 0 HB VAL A 113 8.970 -5.836 -7.556 1.00 62.01 H new ATOM 0 HG11 VAL A 113 9.974 -4.367 -5.794 1.00 21.43 H new ATOM 0 HG12 VAL A 113 8.512 -3.664 -6.524 1.00 21.43 H new ATOM 0 HG13 VAL A 113 8.429 -4.414 -4.913 1.00 21.43 H new ATOM 0 HG21 VAL A 113 10.304 -6.723 -5.635 1.00 73.40 H new ATOM 0 HG22 VAL A 113 8.789 -6.980 -4.737 1.00 73.40 H new ATOM 0 HG23 VAL A 113 9.099 -7.888 -6.235 1.00 73.40 H new ATOM 1804 N SER A 114 7.165 -6.973 -8.960 1.00 52.43 N ATOM 1805 CA SER A 114 6.805 -7.862 -10.040 1.00 24.41 C ATOM 1806 C SER A 114 7.522 -9.222 -9.943 1.00 13.41 C ATOM 1807 O SER A 114 6.875 -10.267 -9.851 1.00 71.41 O ATOM 1808 CB SER A 114 7.034 -7.121 -11.366 1.00 33.12 C ATOM 1809 OG SER A 114 6.183 -7.607 -12.380 1.00 21.20 O ATOM 0 H SER A 114 7.712 -6.165 -9.257 1.00 52.43 H new ATOM 0 HA SER A 114 5.749 -8.125 -9.976 1.00 24.41 H new ATOM 0 HB2 SER A 114 6.860 -6.054 -11.223 1.00 33.12 H new ATOM 0 HB3 SER A 114 8.073 -7.236 -11.674 1.00 33.12 H new ATOM 0 HG SER A 114 6.350 -7.115 -13.211 1.00 21.20 H new ATOM 1815 N SER A 115 8.856 -9.229 -9.970 1.00 1.24 N ATOM 1816 CA SER A 115 9.653 -10.453 -10.029 1.00 31.22 C ATOM 1817 C SER A 115 10.240 -10.762 -8.646 1.00 63.03 C ATOM 1818 O SER A 115 10.571 -9.825 -7.920 1.00 60.13 O ATOM 1819 CB SER A 115 10.760 -10.272 -11.075 1.00 72.42 C ATOM 1820 OG SER A 115 10.186 -9.953 -12.326 1.00 42.43 O ATOM 0 H SER A 115 9.417 -8.377 -9.951 1.00 1.24 H new ATOM 0 HA SER A 115 9.027 -11.297 -10.320 1.00 31.22 H new ATOM 0 HB2 SER A 115 11.441 -9.480 -10.764 1.00 72.42 H new ATOM 0 HB3 SER A 115 11.349 -11.185 -11.157 1.00 72.42 H new ATOM 0 HG SER A 115 10.896 -9.836 -12.991 1.00 42.43 H new ATOM 1826 N PRO A 116 10.488 -12.036 -8.291 1.00 60.53 N ATOM 1827 CA PRO A 116 11.090 -12.412 -7.012 1.00 22.34 C ATOM 1828 C PRO A 116 12.521 -11.879 -6.877 1.00 22.02 C ATOM 1829 O PRO A 116 13.021 -11.683 -5.776 1.00 21.14 O ATOM 1830 CB PRO A 116 11.038 -13.941 -6.958 1.00 52.14 C ATOM 1831 CG PRO A 116 11.022 -14.343 -8.429 1.00 63.14 C ATOM 1832 CD PRO A 116 10.240 -13.218 -9.093 1.00 4.21 C ATOM 0 HA PRO A 116 10.546 -11.973 -6.175 1.00 22.34 H new ATOM 0 HB2 PRO A 116 11.901 -14.355 -6.437 1.00 52.14 H new ATOM 0 HB3 PRO A 116 10.150 -14.295 -6.434 1.00 52.14 H new ATOM 0 HG2 PRO A 116 12.031 -14.425 -8.834 1.00 63.14 H new ATOM 0 HG3 PRO A 116 10.540 -15.309 -8.576 1.00 63.14 H new ATOM 0 HD2 PRO A 116 10.568 -13.068 -10.122 1.00 4.21 H new ATOM 0 HD3 PRO A 116 9.176 -13.450 -9.128 1.00 4.21 H new ATOM 1840 N ASP A 117 13.181 -11.580 -7.994 1.00 44.02 N ATOM 1841 CA ASP A 117 14.484 -10.928 -7.986 1.00 33.20 C ATOM 1842 C ASP A 117 14.384 -9.494 -7.457 1.00 51.22 C ATOM 1843 O ASP A 117 15.235 -9.029 -6.694 1.00 21.52 O ATOM 1844 CB ASP A 117 15.033 -10.937 -9.412 1.00 22.31 C ATOM 1845 CG ASP A 117 16.449 -10.374 -9.471 1.00 33.01 C ATOM 1846 OD1 ASP A 117 17.321 -10.895 -8.745 1.00 61.24 O ATOM 1847 OD2 ASP A 117 16.699 -9.519 -10.348 1.00 44.33 O ATOM 0 H ASP A 117 12.826 -11.784 -8.928 1.00 44.02 H new ATOM 0 HA ASP A 117 15.157 -11.469 -7.321 1.00 33.20 H new ATOM 0 HB2 ASP A 117 15.030 -11.957 -9.798 1.00 22.31 H new ATOM 0 HB3 ASP A 117 14.380 -10.350 -10.058 1.00 22.31 H new ATOM 1852 N ALA A 118 13.301 -8.790 -7.810 1.00 34.12 N ATOM 1853 CA ALA A 118 13.069 -7.428 -7.353 1.00 73.23 C ATOM 1854 C ALA A 118 12.829 -7.379 -5.844 1.00 51.30 C ATOM 1855 O ALA A 118 13.106 -6.346 -5.233 1.00 43.13 O ATOM 1856 CB ALA A 118 11.883 -6.800 -8.100 1.00 4.41 C ATOM 0 H ALA A 118 12.568 -9.153 -8.419 1.00 34.12 H new ATOM 0 HA ALA A 118 13.967 -6.850 -7.571 1.00 73.23 H new ATOM 0 HB1 ALA A 118 11.726 -5.782 -7.743 1.00 4.41 H new ATOM 0 HB2 ALA A 118 12.095 -6.782 -9.169 1.00 4.41 H new ATOM 0 HB3 ALA A 118 10.985 -7.390 -7.918 1.00 4.41 H new ATOM 1862 N VAL A 119 12.327 -8.468 -5.253 1.00 42.05 N ATOM 1863 CA VAL A 119 12.015 -8.586 -3.834 1.00 44.42 C ATOM 1864 C VAL A 119 13.298 -8.375 -3.047 1.00 43.51 C ATOM 1865 O VAL A 119 13.393 -7.458 -2.230 1.00 62.35 O ATOM 1866 CB VAL A 119 11.366 -9.957 -3.548 1.00 41.11 C ATOM 1867 CG1 VAL A 119 11.002 -10.154 -2.077 1.00 21.32 C ATOM 1868 CG2 VAL A 119 10.076 -10.102 -4.352 1.00 50.03 C ATOM 0 H VAL A 119 12.121 -9.321 -5.773 1.00 42.05 H new ATOM 0 HA VAL A 119 11.293 -7.829 -3.528 1.00 44.42 H new ATOM 0 HB VAL A 119 12.110 -10.703 -3.829 1.00 41.11 H new ATOM 0 HG11 VAL A 119 10.550 -11.137 -1.942 1.00 21.32 H new ATOM 0 HG12 VAL A 119 11.902 -10.082 -1.467 1.00 21.32 H new ATOM 0 HG13 VAL A 119 10.294 -9.384 -1.771 1.00 21.32 H new ATOM 0 HG21 VAL A 119 9.625 -11.072 -4.144 1.00 50.03 H new ATOM 0 HG22 VAL A 119 9.381 -9.311 -4.071 1.00 50.03 H new ATOM 0 HG23 VAL A 119 10.300 -10.027 -5.416 1.00 50.03 H new ATOM 1878 N THR A 120 14.298 -9.202 -3.334 1.00 30.43 N ATOM 1879 CA THR A 120 15.604 -9.113 -2.718 1.00 60.11 C ATOM 1880 C THR A 120 16.272 -7.785 -3.064 1.00 62.13 C ATOM 1881 O THR A 120 16.884 -7.185 -2.184 1.00 31.11 O ATOM 1882 CB THR A 120 16.404 -10.334 -3.171 1.00 53.22 C ATOM 1883 OG1 THR A 120 15.872 -11.475 -2.519 1.00 74.14 O ATOM 1884 CG2 THR A 120 17.891 -10.214 -2.870 1.00 71.13 C ATOM 0 H THR A 120 14.216 -9.961 -4.011 1.00 30.43 H new ATOM 0 HA THR A 120 15.537 -9.124 -1.630 1.00 60.11 H new ATOM 0 HB THR A 120 16.315 -10.417 -4.254 1.00 53.22 H new ATOM 0 HG1 THR A 120 16.370 -12.272 -2.797 1.00 74.14 H new ATOM 0 HG21 THR A 120 18.406 -11.111 -3.215 1.00 71.13 H new ATOM 0 HG22 THR A 120 18.297 -9.343 -3.384 1.00 71.13 H new ATOM 0 HG23 THR A 120 18.037 -10.102 -1.796 1.00 71.13 H new ATOM 1892 N THR A 121 16.141 -7.305 -4.302 1.00 52.15 N ATOM 1893 CA THR A 121 16.769 -6.058 -4.709 1.00 52.44 C ATOM 1894 C THR A 121 16.255 -4.901 -3.837 1.00 42.41 C ATOM 1895 O THR A 121 17.059 -4.144 -3.295 1.00 2.43 O ATOM 1896 CB THR A 121 16.539 -5.838 -6.211 1.00 34.14 C ATOM 1897 OG1 THR A 121 16.964 -6.948 -6.974 1.00 20.34 O ATOM 1898 CG2 THR A 121 17.284 -4.617 -6.742 1.00 14.32 C ATOM 0 H THR A 121 15.604 -7.765 -5.037 1.00 52.15 H new ATOM 0 HA THR A 121 17.847 -6.103 -4.555 1.00 52.44 H new ATOM 0 HB THR A 121 15.464 -5.690 -6.314 1.00 34.14 H new ATOM 0 HG1 THR A 121 16.357 -7.702 -6.821 1.00 20.34 H new ATOM 0 HG21 THR A 121 17.088 -4.506 -7.808 1.00 14.32 H new ATOM 0 HG22 THR A 121 16.943 -3.725 -6.216 1.00 14.32 H new ATOM 0 HG23 THR A 121 18.354 -4.746 -6.582 1.00 14.32 H new ATOM 1906 N TYR A 122 14.933 -4.781 -3.663 1.00 21.13 N ATOM 1907 CA TYR A 122 14.297 -3.735 -2.869 1.00 33.13 C ATOM 1908 C TYR A 122 14.612 -3.930 -1.380 1.00 63.14 C ATOM 1909 O TYR A 122 14.961 -2.969 -0.697 1.00 4.33 O ATOM 1910 CB TYR A 122 12.784 -3.752 -3.141 1.00 63.32 C ATOM 1911 CG TYR A 122 11.989 -2.572 -2.595 1.00 44.25 C ATOM 1912 CD1 TYR A 122 11.712 -2.473 -1.220 1.00 70.40 C ATOM 1913 CD2 TYR A 122 11.472 -1.589 -3.464 1.00 3.20 C ATOM 1914 CE1 TYR A 122 10.933 -1.416 -0.720 1.00 74.11 C ATOM 1915 CE2 TYR A 122 10.731 -0.503 -2.968 1.00 51.05 C ATOM 1916 CZ TYR A 122 10.443 -0.422 -1.590 1.00 20.15 C ATOM 1917 OH TYR A 122 9.654 0.567 -1.095 1.00 54.15 O ATOM 0 H TYR A 122 14.264 -5.427 -4.083 1.00 21.13 H new ATOM 0 HA TYR A 122 14.689 -2.758 -3.154 1.00 33.13 H new ATOM 0 HB2 TYR A 122 12.630 -3.799 -4.219 1.00 63.32 H new ATOM 0 HB3 TYR A 122 12.370 -4.668 -2.720 1.00 63.32 H new ATOM 0 HD1 TYR A 122 12.102 -3.217 -0.541 1.00 70.40 H new ATOM 0 HD2 TYR A 122 11.648 -1.672 -4.526 1.00 3.20 H new ATOM 0 HE1 TYR A 122 10.709 -1.365 0.335 1.00 74.11 H new ATOM 0 HE2 TYR A 122 10.383 0.267 -3.640 1.00 51.05 H new ATOM 0 HH TYR A 122 10.138 1.418 -1.126 1.00 54.15 H new ATOM 1927 N ASN A 123 14.529 -5.167 -0.868 1.00 72.14 N ATOM 1928 CA ASN A 123 14.897 -5.476 0.521 1.00 61.10 C ATOM 1929 C ASN A 123 16.348 -5.056 0.783 1.00 22.12 C ATOM 1930 O ASN A 123 16.670 -4.488 1.829 1.00 60.34 O ATOM 1931 CB ASN A 123 14.715 -6.972 0.860 1.00 42.22 C ATOM 1932 CG ASN A 123 13.267 -7.385 1.116 1.00 2.32 C ATOM 1933 OD1 ASN A 123 12.465 -6.597 1.624 1.00 3.15 O ATOM 1934 ND2 ASN A 123 12.883 -8.611 0.802 1.00 41.11 N ATOM 0 H ASN A 123 14.207 -5.975 -1.401 1.00 72.14 H new ATOM 0 HA ASN A 123 14.224 -4.912 1.167 1.00 61.10 H new ATOM 0 HB2 ASN A 123 15.112 -7.570 0.039 1.00 42.22 H new ATOM 0 HB3 ASN A 123 15.310 -7.208 1.743 1.00 42.22 H new ATOM 0 HD21 ASN A 123 11.923 -8.906 0.980 1.00 41.11 H new ATOM 0 HD22 ASN A 123 13.547 -9.262 0.382 1.00 41.11 H new ATOM 1941 N GLY A 124 17.224 -5.269 -0.196 1.00 45.03 N ATOM 1942 CA GLY A 124 18.617 -4.867 -0.212 1.00 32.32 C ATOM 1943 C GLY A 124 18.829 -3.396 -0.552 1.00 2.24 C ATOM 1944 O GLY A 124 19.908 -3.059 -1.031 1.00 41.12 O ATOM 0 H GLY A 124 16.957 -5.758 -1.050 1.00 45.03 H new ATOM 0 HA2 GLY A 124 19.056 -5.071 0.765 1.00 32.32 H new ATOM 0 HA3 GLY A 124 19.154 -5.479 -0.937 1.00 32.32 H new ATOM 1948 N TYR A 125 17.850 -2.520 -0.341 1.00 22.10 N ATOM 1949 CA TYR A 125 18.024 -1.070 -0.401 1.00 1.54 C ATOM 1950 C TYR A 125 17.486 -0.379 0.862 1.00 64.44 C ATOM 1951 O TYR A 125 17.511 0.848 0.974 1.00 11.13 O ATOM 1952 CB TYR A 125 17.267 -0.536 -1.625 1.00 74.13 C ATOM 1953 CG TYR A 125 17.863 -0.791 -2.999 1.00 34.02 C ATOM 1954 CD1 TYR A 125 19.225 -0.549 -3.238 1.00 25.33 C ATOM 1955 CD2 TYR A 125 17.017 -1.075 -4.085 1.00 12.21 C ATOM 1956 CE1 TYR A 125 19.752 -0.618 -4.541 1.00 13.40 C ATOM 1957 CE2 TYR A 125 17.529 -1.124 -5.394 1.00 62.21 C ATOM 1958 CZ TYR A 125 18.901 -0.894 -5.632 1.00 34.31 C ATOM 1959 OH TYR A 125 19.353 -0.873 -6.920 1.00 32.30 O ATOM 0 H TYR A 125 16.895 -2.803 -0.119 1.00 22.10 H new ATOM 0 HA TYR A 125 19.090 -0.854 -0.474 1.00 1.54 H new ATOM 0 HB2 TYR A 125 16.265 -0.964 -1.611 1.00 74.13 H new ATOM 0 HB3 TYR A 125 17.155 0.541 -1.504 1.00 74.13 H new ATOM 0 HD1 TYR A 125 19.877 -0.307 -2.411 1.00 25.33 H new ATOM 0 HD2 TYR A 125 15.966 -1.257 -3.913 1.00 12.21 H new ATOM 0 HE1 TYR A 125 20.808 -0.460 -4.706 1.00 13.40 H new ATOM 0 HE2 TYR A 125 16.869 -1.339 -6.221 1.00 62.21 H new ATOM 0 HH TYR A 125 18.616 -1.090 -7.529 1.00 32.30 H new ATOM 1969 N LEU A 126 16.981 -1.169 1.808 1.00 22.35 N ATOM 1970 CA LEU A 126 16.464 -0.725 3.105 1.00 70.52 C ATOM 1971 C LEU A 126 17.570 -0.438 4.117 1.00 13.00 C ATOM 1972 O LEU A 126 17.286 0.047 5.210 1.00 1.03 O ATOM 1973 CB LEU A 126 15.551 -1.812 3.667 1.00 15.24 C ATOM 1974 CG LEU A 126 14.340 -2.112 2.773 1.00 42.30 C ATOM 1975 CD1 LEU A 126 13.306 -2.778 3.647 1.00 2.13 C ATOM 1976 CD2 LEU A 126 13.690 -0.874 2.166 1.00 53.53 C ATOM 0 H LEU A 126 16.917 -2.180 1.688 1.00 22.35 H new ATOM 0 HA LEU A 126 15.924 0.207 2.941 1.00 70.52 H new ATOM 0 HB2 LEU A 126 16.128 -2.727 3.803 1.00 15.24 H new ATOM 0 HB3 LEU A 126 15.199 -1.507 4.653 1.00 15.24 H new ATOM 0 HG LEU A 126 14.690 -2.727 1.944 1.00 42.30 H new ATOM 0 HD11 LEU A 126 12.423 -3.011 3.052 1.00 2.13 H new ATOM 0 HD12 LEU A 126 13.718 -3.698 4.061 1.00 2.13 H new ATOM 0 HD13 LEU A 126 13.029 -2.106 4.460 1.00 2.13 H new ATOM 0 HD21 LEU A 126 12.843 -1.173 1.549 1.00 53.53 H new ATOM 0 HD22 LEU A 126 13.344 -0.217 2.964 1.00 53.53 H new ATOM 0 HD23 LEU A 126 14.418 -0.345 1.551 1.00 53.53 H new ATOM 1988 N THR A 127 18.783 -0.881 3.798 1.00 34.14 N ATOM 1989 CA THR A 127 19.932 -1.062 4.669 1.00 44.44 C ATOM 1990 C THR A 127 21.016 -1.737 3.820 1.00 33.04 C ATOM 1991 O THR A 127 22.193 -1.390 3.914 1.00 74.30 O ATOM 1992 CB THR A 127 19.548 -1.867 5.942 1.00 44.04 C ATOM 1993 OG1 THR A 127 20.688 -2.340 6.639 1.00 32.00 O ATOM 1994 CG2 THR A 127 18.606 -3.062 5.726 1.00 71.42 C ATOM 0 H THR A 127 19.002 -1.145 2.837 1.00 34.14 H new ATOM 0 HA THR A 127 20.309 -0.113 5.049 1.00 44.44 H new ATOM 0 HB THR A 127 19.001 -1.127 6.526 1.00 44.04 H new ATOM 0 HG1 THR A 127 21.110 -3.060 6.125 1.00 32.00 H new ATOM 0 HG21 THR A 127 18.408 -3.547 6.682 1.00 71.42 H new ATOM 0 HG22 THR A 127 17.668 -2.712 5.295 1.00 71.42 H new ATOM 0 HG23 THR A 127 19.073 -3.775 5.047 1.00 71.42 H new ATOM 2002 N SER A 128 20.616 -2.731 3.006 1.00 1.11 N ATOM 2003 CA SER A 128 21.528 -3.753 2.511 1.00 11.24 C ATOM 2004 C SER A 128 22.299 -4.328 3.716 1.00 31.50 C ATOM 2005 O SER A 128 21.740 -4.360 4.824 1.00 54.33 O ATOM 2006 CB SER A 128 22.306 -3.187 1.305 1.00 72.42 C ATOM 2007 OG SER A 128 23.227 -4.114 0.745 1.00 14.33 O ATOM 0 H SER A 128 19.656 -2.840 2.680 1.00 1.11 H new ATOM 0 HA SER A 128 21.050 -4.633 2.081 1.00 11.24 H new ATOM 0 HB2 SER A 128 21.597 -2.880 0.536 1.00 72.42 H new ATOM 0 HB3 SER A 128 22.845 -2.293 1.617 1.00 72.42 H new ATOM 0 HG SER A 128 23.687 -3.700 -0.015 1.00 14.33 H new ATOM 2013 N SER A 129 23.494 -4.879 3.513 1.00 23.51 N ATOM 2014 CA SER A 129 24.323 -5.456 4.559 1.00 13.32 C ATOM 2015 C SER A 129 25.683 -4.779 4.523 1.00 43.04 C ATOM 2016 O SER A 129 26.704 -5.504 4.610 1.00 0.42 O ATOM 2017 CB SER A 129 24.365 -6.976 4.379 1.00 22.04 C ATOM 2018 OG SER A 129 25.074 -7.290 3.193 1.00 42.24 O ATOM 0 H SER A 129 23.921 -4.936 2.588 1.00 23.51 H new ATOM 0 HA SER A 129 23.915 -5.282 5.555 1.00 13.32 H new ATOM 0 HB2 SER A 129 24.847 -7.442 5.238 1.00 22.04 H new ATOM 0 HB3 SER A 129 23.352 -7.375 4.327 1.00 22.04 H new ATOM 0 HG SER A 129 25.103 -8.263 3.077 1.00 42.24 H new TER 2024 SER A 129