USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 958 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 2 SER OG : rot 97:sc= 0.817 USER MOD Set 1.2: A 4 ASN : amide:sc= -1.11 K(o=-0.56,f=-7.1!) USER MOD Set 1.3: A 72 GLN : amide:sc= -0.267 K(o=-0.56,f=-7.3!) USER MOD Set 2.1: A 1 MET N :NH3+ -128:sc= 0.0711 (180deg=-0.538) USER MOD Set 2.2: A 115 TYR OH : rot 180:sc= 0.251 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.302 F(o=-1.3,f=-0.3) USER MOD Single : A 6 GLN : amide:sc= -2.21 K(o=-2.2,f=-2.7) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -163:sc= -0.115 (180deg=-0.628) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -74:sc= 0.0733 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.0109 X(o=-0.011,f=-0.055) USER MOD Single : A 31 SER OG : rot 4:sc= 0.398 USER MOD Single : A 32 GLN :FLIP amide:sc= -1.1 F(o=-2,f=-1.1) USER MOD Single : A 37 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.73) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -160:sc= -0.72 USER MOD Single : A 51 ASN :FLIP amide:sc= -2.05 F(o=-3.2,f=-2) USER MOD Single : A 53 CYS SG : rot 146:sc= -0.395 USER MOD Single : A 57 THR OG1 : rot 160:sc= 0.918 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -114:sc= 1.12 USER MOD Single : A 77 LYS NZ :NH3+ -149:sc= 0.0139 (180deg=-2.59!) USER MOD Single : A 83 MET CE :methyl -159:sc= -3.64 (180deg=-5!) USER MOD Single : A 85 ASN : amide:sc= -0.558 X(o=-0.56,f=-0.85) USER MOD Single : A 86 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.6) USER MOD Single : A 87 CYS SG : rot 180:sc= -0.36 USER MOD Single : A 91 ASN : amide:sc=-0.00469 X(o=-0.0047,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN :FLIP amide:sc= -0.691 F(o=-2.5,f=-0.69) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.108 0.242 0.542 1.00 14.53 N ATOM 2 CA MET A 1 0.502 1.482 -0.116 1.00 50.34 C ATOM 3 C MET A 1 1.803 2.020 0.470 1.00 24.45 C ATOM 4 O MET A 1 2.054 1.893 1.669 1.00 14.11 O ATOM 5 CB MET A 1 -0.604 2.531 0.019 1.00 4.03 C ATOM 6 CG MET A 1 -0.926 2.891 1.461 1.00 41.25 C ATOM 7 SD MET A 1 -2.698 2.906 1.793 1.00 20.32 S ATOM 8 CE MET A 1 -3.075 4.639 1.543 1.00 73.40 C ATOM 0 H1 MET A 1 -0.073 -0.489 -0.175 1.00 14.53 H new ATOM 0 H2 MET A 1 0.872 -0.074 1.174 1.00 14.53 H new ATOM 0 H3 MET A 1 -0.756 0.403 1.097 1.00 14.53 H new ATOM 0 HA MET A 1 0.662 1.267 -1.173 1.00 50.34 H new ATOM 0 HB2 MET A 1 -0.305 3.433 -0.514 1.00 4.03 H new ATOM 0 HB3 MET A 1 -1.507 2.159 -0.465 1.00 4.03 H new ATOM 0 HG2 MET A 1 -0.441 2.177 2.127 1.00 41.25 H new ATOM 0 HG3 MET A 1 -0.509 3.872 1.688 1.00 41.25 H new ATOM 0 HE1 MET A 1 -4.138 4.808 1.713 1.00 73.40 H new ATOM 0 HE2 MET A 1 -2.496 5.242 2.242 1.00 73.40 H new ATOM 0 HE3 MET A 1 -2.821 4.923 0.522 1.00 73.40 H new ATOM 18 N SER A 2 2.629 2.619 -0.382 1.00 13.23 N ATOM 19 CA SER A 2 3.906 3.172 0.052 1.00 24.03 C ATOM 20 C SER A 2 3.696 4.318 1.037 1.00 0.11 C ATOM 21 O SER A 2 2.586 4.830 1.181 1.00 22.01 O ATOM 22 CB SER A 2 4.710 3.662 -1.154 1.00 22.12 C ATOM 23 OG SER A 2 4.531 2.805 -2.268 1.00 61.11 O ATOM 0 H SER A 2 2.436 2.734 -1.377 1.00 13.23 H new ATOM 0 HA SER A 2 4.463 2.382 0.555 1.00 24.03 H new ATOM 0 HB2 SER A 2 4.399 4.673 -1.416 1.00 22.12 H new ATOM 0 HB3 SER A 2 5.768 3.711 -0.895 1.00 22.12 H new ATOM 0 HG SER A 2 3.847 3.179 -2.862 1.00 61.11 H new ATOM 29 N GLN A 3 4.770 4.715 1.712 1.00 62.40 N ATOM 30 CA GLN A 3 4.704 5.799 2.684 1.00 54.51 C ATOM 31 C GLN A 3 5.144 7.119 2.058 1.00 30.22 C ATOM 32 O GLN A 3 6.309 7.289 1.700 1.00 34.33 O ATOM 33 CB GLN A 3 5.578 5.480 3.897 1.00 23.24 C ATOM 34 CG GLN A 3 4.941 5.859 5.224 1.00 15.21 C ATOM 35 CD GLN A 3 4.234 7.199 5.170 1.00 40.42 C ATOM 36 OE1 GLN A 3 5.009 8.274 5.082 1.00 1.33 O flip ATOM 37 NE2 GLN A 3 3.005 7.268 5.206 1.00 12.33 N flip ATOM 0 H GLN A 3 5.696 4.302 1.603 1.00 62.40 H new ATOM 0 HA GLN A 3 3.668 5.899 3.009 1.00 54.51 H new ATOM 0 HB2 GLN A 3 5.801 4.413 3.903 1.00 23.24 H new ATOM 0 HB3 GLN A 3 6.528 6.004 3.797 1.00 23.24 H new ATOM 0 HG2 GLN A 3 4.228 5.087 5.514 1.00 15.21 H new ATOM 0 HG3 GLN A 3 5.710 5.889 5.996 1.00 15.21 H new ATOM 0 HE21 GLN A 3 2.448 6.416 5.274 1.00 12.33 H new ATOM 0 HE22 GLN A 3 2.544 8.177 5.168 1.00 12.33 H new ATOM 46 N ASN A 4 4.204 8.050 1.929 1.00 22.32 N ATOM 47 CA ASN A 4 4.496 9.354 1.345 1.00 15.15 C ATOM 48 C ASN A 4 5.341 10.198 2.294 1.00 24.12 C ATOM 49 O ASN A 4 4.821 11.048 3.016 1.00 10.43 O ATOM 50 CB ASN A 4 3.195 10.089 1.013 1.00 44.01 C ATOM 51 CG ASN A 4 2.147 9.169 0.418 1.00 20.20 C ATOM 52 OD1 ASN A 4 2.015 9.067 -0.802 1.00 33.23 O ATOM 53 ND2 ASN A 4 1.395 8.494 1.280 1.00 63.53 N ATOM 0 H ASN A 4 3.235 7.926 2.221 1.00 22.32 H new ATOM 0 HA ASN A 4 5.062 9.195 0.427 1.00 15.15 H new ATOM 0 HB2 ASN A 4 2.799 10.548 1.919 1.00 44.01 H new ATOM 0 HB3 ASN A 4 3.406 10.897 0.312 1.00 44.01 H new ATOM 0 HD21 ASN A 4 0.673 7.860 0.939 1.00 63.53 H new ATOM 0 HD22 ASN A 4 1.540 8.610 2.283 1.00 63.53 H new ATOM 60 N ARG A 5 6.648 9.957 2.286 1.00 24.21 N ATOM 61 CA ARG A 5 7.567 10.694 3.146 1.00 75.21 C ATOM 62 C ARG A 5 9.016 10.399 2.772 1.00 23.03 C ATOM 63 O ARG A 5 9.687 11.224 2.153 1.00 40.03 O ATOM 64 CB ARG A 5 7.324 10.335 4.613 1.00 12.32 C ATOM 65 CG ARG A 5 8.187 11.124 5.584 1.00 42.42 C ATOM 66 CD ARG A 5 7.935 10.703 7.023 1.00 12.20 C ATOM 67 NE ARG A 5 6.774 11.380 7.596 1.00 61.42 N ATOM 68 CZ ARG A 5 6.203 11.019 8.740 1.00 65.53 C ATOM 69 NH1 ARG A 5 6.684 9.993 9.430 1.00 41.35 N ATOM 70 NH2 ARG A 5 5.150 11.684 9.196 1.00 30.10 N ATOM 0 H ARG A 5 7.095 9.257 1.694 1.00 24.21 H new ATOM 0 HA ARG A 5 7.383 11.759 3.004 1.00 75.21 H new ATOM 0 HB2 ARG A 5 6.274 10.506 4.851 1.00 12.32 H new ATOM 0 HB3 ARG A 5 7.513 9.271 4.754 1.00 12.32 H new ATOM 0 HG2 ARG A 5 9.239 10.977 5.340 1.00 42.42 H new ATOM 0 HG3 ARG A 5 7.980 12.189 5.474 1.00 42.42 H new ATOM 0 HD2 ARG A 5 7.782 9.624 7.064 1.00 12.20 H new ATOM 0 HD3 ARG A 5 8.817 10.923 7.625 1.00 12.20 H new ATOM 0 HE ARG A 5 6.380 12.173 7.090 1.00 61.42 H new ATOM 0 HH11 ARG A 5 7.494 9.479 9.082 1.00 41.35 H new ATOM 0 HH12 ARG A 5 6.244 9.718 10.308 1.00 41.35 H new ATOM 0 HH21 ARG A 5 4.778 12.473 8.668 1.00 30.10 H new ATOM 0 HH22 ARG A 5 4.712 11.406 10.074 1.00 30.10 H new ATOM 84 N GLN A 6 9.492 9.218 3.154 1.00 10.11 N ATOM 85 CA GLN A 6 10.862 8.816 2.860 1.00 23.30 C ATOM 86 C GLN A 6 10.907 7.390 2.320 1.00 1.03 C ATOM 87 O GLN A 6 10.020 6.582 2.597 1.00 34.11 O ATOM 88 CB GLN A 6 11.729 8.926 4.116 1.00 61.14 C ATOM 89 CG GLN A 6 11.770 7.650 4.941 1.00 71.35 C ATOM 90 CD GLN A 6 10.389 7.171 5.344 1.00 42.01 C ATOM 91 OE1 GLN A 6 9.536 7.965 5.742 1.00 23.34 O ATOM 92 NE2 GLN A 6 10.161 5.867 5.242 1.00 24.21 N ATOM 0 H GLN A 6 8.949 8.524 3.667 1.00 10.11 H new ATOM 0 HA GLN A 6 11.255 9.487 2.096 1.00 23.30 H new ATOM 0 HB2 GLN A 6 12.745 9.193 3.824 1.00 61.14 H new ATOM 0 HB3 GLN A 6 11.352 9.738 4.737 1.00 61.14 H new ATOM 0 HG2 GLN A 6 12.269 6.868 4.369 1.00 71.35 H new ATOM 0 HG3 GLN A 6 12.367 7.820 5.837 1.00 71.35 H new ATOM 0 HE21 GLN A 6 10.897 5.245 4.907 1.00 24.21 H new ATOM 0 HE22 GLN A 6 9.250 5.487 5.498 1.00 24.21 H new ATOM 101 N LEU A 7 11.945 7.087 1.549 1.00 41.34 N ATOM 102 CA LEU A 7 12.106 5.758 0.969 1.00 12.21 C ATOM 103 C LEU A 7 13.207 4.982 1.684 1.00 44.11 C ATOM 104 O LEU A 7 14.325 5.474 1.843 1.00 65.04 O ATOM 105 CB LEU A 7 12.428 5.866 -0.522 1.00 52.24 C ATOM 106 CG LEU A 7 11.241 5.727 -1.477 1.00 24.21 C ATOM 107 CD1 LEU A 7 10.954 4.261 -1.761 1.00 64.32 C ATOM 108 CD2 LEU A 7 10.010 6.411 -0.901 1.00 42.20 C ATOM 0 H LEU A 7 12.688 7.744 1.311 1.00 41.34 H new ATOM 0 HA LEU A 7 11.167 5.218 1.093 1.00 12.21 H new ATOM 0 HB2 LEU A 7 12.902 6.831 -0.702 1.00 52.24 H new ATOM 0 HB3 LEU A 7 13.161 5.099 -0.771 1.00 52.24 H new ATOM 0 HG LEU A 7 11.497 6.215 -2.417 1.00 24.21 H new ATOM 0 HD11 LEU A 7 10.107 4.181 -2.442 1.00 64.32 H new ATOM 0 HD12 LEU A 7 11.830 3.800 -2.217 1.00 64.32 H new ATOM 0 HD13 LEU A 7 10.719 3.749 -0.828 1.00 64.32 H new ATOM 0 HD21 LEU A 7 9.176 6.302 -1.594 1.00 42.20 H new ATOM 0 HD22 LEU A 7 9.752 5.952 0.053 1.00 42.20 H new ATOM 0 HD23 LEU A 7 10.220 7.470 -0.749 1.00 42.20 H new ATOM 120 N LEU A 8 12.885 3.766 2.111 1.00 3.44 N ATOM 121 CA LEU A 8 13.848 2.920 2.808 1.00 42.05 C ATOM 122 C LEU A 8 15.147 2.807 2.015 1.00 13.12 C ATOM 123 O LEU A 8 16.186 3.319 2.432 1.00 64.34 O ATOM 124 CB LEU A 8 13.258 1.528 3.042 1.00 10.51 C ATOM 125 CG LEU A 8 13.967 0.666 4.087 1.00 62.14 C ATOM 126 CD1 LEU A 8 12.981 0.182 5.138 1.00 10.34 C ATOM 127 CD2 LEU A 8 14.662 -0.514 3.422 1.00 53.43 C ATOM 0 H LEU A 8 11.965 3.344 1.987 1.00 3.44 H new ATOM 0 HA LEU A 8 14.070 3.381 3.771 1.00 42.05 H new ATOM 0 HB2 LEU A 8 12.216 1.642 3.341 1.00 10.51 H new ATOM 0 HB3 LEU A 8 13.261 0.990 2.094 1.00 10.51 H new ATOM 0 HG LEU A 8 14.723 1.276 4.581 1.00 62.14 H new ATOM 0 HD11 LEU A 8 13.504 -0.430 5.873 1.00 10.34 H new ATOM 0 HD12 LEU A 8 12.529 1.040 5.636 1.00 10.34 H new ATOM 0 HD13 LEU A 8 12.202 -0.412 4.660 1.00 10.34 H new ATOM 0 HD21 LEU A 8 15.161 -1.117 4.181 1.00 53.43 H new ATOM 0 HD22 LEU A 8 13.924 -1.124 2.901 1.00 53.43 H new ATOM 0 HD23 LEU A 8 15.399 -0.147 2.707 1.00 53.43 H new ATOM 139 N TYR A 9 15.079 2.136 0.871 1.00 52.22 N ATOM 140 CA TYR A 9 16.249 1.956 0.020 1.00 50.12 C ATOM 141 C TYR A 9 15.887 1.191 -1.249 1.00 60.43 C ATOM 142 O TYR A 9 16.175 0.002 -1.392 1.00 3.12 O ATOM 143 CB TYR A 9 17.349 1.214 0.780 1.00 22.23 C ATOM 144 CG TYR A 9 18.495 2.103 1.207 1.00 24.44 C ATOM 145 CD1 TYR A 9 19.157 2.907 0.288 1.00 71.02 C ATOM 146 CD2 TYR A 9 18.916 2.138 2.531 1.00 2.52 C ATOM 147 CE1 TYR A 9 20.205 3.720 0.674 1.00 61.23 C ATOM 148 CE2 TYR A 9 19.963 2.949 2.926 1.00 15.44 C ATOM 149 CZ TYR A 9 20.604 3.738 1.994 1.00 60.31 C ATOM 150 OH TYR A 9 21.647 4.547 2.383 1.00 52.25 O ATOM 0 H TYR A 9 14.226 1.708 0.511 1.00 52.22 H new ATOM 0 HA TYR A 9 16.615 2.943 -0.264 1.00 50.12 H new ATOM 0 HB2 TYR A 9 16.916 0.745 1.663 1.00 22.23 H new ATOM 0 HB3 TYR A 9 17.737 0.413 0.151 1.00 22.23 H new ATOM 0 HD1 TYR A 9 18.847 2.896 -0.746 1.00 71.02 H new ATOM 0 HD2 TYR A 9 18.417 1.521 3.263 1.00 2.52 H new ATOM 0 HE1 TYR A 9 20.709 4.338 -0.054 1.00 61.23 H new ATOM 0 HE2 TYR A 9 20.278 2.965 3.959 1.00 15.44 H new ATOM 0 HH TYR A 9 21.801 4.443 3.345 1.00 52.25 H new ATOM 160 N PRO A 10 15.240 1.888 -2.195 1.00 71.40 N ATOM 161 CA PRO A 10 14.825 1.295 -3.470 1.00 50.32 C ATOM 162 C PRO A 10 16.011 0.979 -4.376 1.00 15.53 C ATOM 163 O PRO A 10 16.768 1.872 -4.756 1.00 51.25 O ATOM 164 CB PRO A 10 13.948 2.382 -4.097 1.00 72.12 C ATOM 165 CG PRO A 10 14.429 3.654 -3.490 1.00 13.34 C ATOM 166 CD PRO A 10 14.864 3.308 -2.093 1.00 30.43 C ATOM 0 HA PRO A 10 14.313 0.343 -3.330 1.00 50.32 H new ATOM 0 HB2 PRO A 10 14.052 2.397 -5.182 1.00 72.12 H new ATOM 0 HB3 PRO A 10 12.893 2.214 -3.880 1.00 72.12 H new ATOM 0 HG2 PRO A 10 15.256 4.072 -4.064 1.00 13.34 H new ATOM 0 HG3 PRO A 10 13.638 4.404 -3.478 1.00 13.34 H new ATOM 0 HD2 PRO A 10 15.703 3.924 -1.769 1.00 30.43 H new ATOM 0 HD3 PRO A 10 14.060 3.460 -1.373 1.00 30.43 H new ATOM 174 N ARG A 11 16.165 -0.296 -4.717 1.00 42.53 N ATOM 175 CA ARG A 11 17.259 -0.729 -5.578 1.00 4.42 C ATOM 176 C ARG A 11 17.188 -2.231 -5.833 1.00 61.32 C ATOM 177 O ARG A 11 17.458 -2.695 -6.940 1.00 64.43 O ATOM 178 CB ARG A 11 18.606 -0.371 -4.945 1.00 72.35 C ATOM 179 CG ARG A 11 18.682 -0.681 -3.459 1.00 41.23 C ATOM 180 CD ARG A 11 20.123 -0.766 -2.981 1.00 61.33 C ATOM 181 NE ARG A 11 20.375 -1.985 -2.216 1.00 53.34 N ATOM 182 CZ ARG A 11 21.589 -2.477 -1.996 1.00 52.51 C ATOM 183 NH1 ARG A 11 22.657 -1.857 -2.480 1.00 14.23 N ATOM 184 NH2 ARG A 11 21.737 -3.590 -1.290 1.00 73.43 N ATOM 0 H ARG A 11 15.546 -1.047 -4.410 1.00 42.53 H new ATOM 0 HA ARG A 11 17.164 -0.211 -6.532 1.00 4.42 H new ATOM 0 HB2 ARG A 11 19.397 -0.915 -5.462 1.00 72.35 H new ATOM 0 HB3 ARG A 11 18.798 0.691 -5.096 1.00 72.35 H new ATOM 0 HG2 ARG A 11 18.156 0.091 -2.898 1.00 41.23 H new ATOM 0 HG3 ARG A 11 18.174 -1.624 -3.256 1.00 41.23 H new ATOM 0 HD2 ARG A 11 20.793 -0.732 -3.840 1.00 61.33 H new ATOM 0 HD3 ARG A 11 20.352 0.103 -2.364 1.00 61.33 H new ATOM 0 HE ARG A 11 19.575 -2.486 -1.830 1.00 53.34 H new ATOM 0 HH11 ARG A 11 22.547 -1.000 -3.023 1.00 14.23 H new ATOM 0 HH12 ARG A 11 23.588 -2.237 -2.310 1.00 14.23 H new ATOM 0 HH21 ARG A 11 20.918 -4.069 -0.915 1.00 73.43 H new ATOM 0 HH22 ARG A 11 22.670 -3.967 -1.122 1.00 73.43 H new ATOM 198 N GLU A 12 16.823 -2.985 -4.801 1.00 21.31 N ATOM 199 CA GLU A 12 16.718 -4.435 -4.914 1.00 70.22 C ATOM 200 C GLU A 12 15.793 -4.826 -6.063 1.00 52.53 C ATOM 201 O GLU A 12 15.951 -5.886 -6.667 1.00 53.25 O ATOM 202 CB GLU A 12 16.203 -5.035 -3.604 1.00 64.52 C ATOM 203 CG GLU A 12 17.265 -5.792 -2.823 1.00 74.12 C ATOM 204 CD GLU A 12 16.750 -6.316 -1.497 1.00 33.53 C ATOM 205 OE1 GLU A 12 15.977 -5.594 -0.833 1.00 51.55 O ATOM 206 OE2 GLU A 12 17.119 -7.449 -1.122 1.00 4.31 O ATOM 0 H GLU A 12 16.595 -2.616 -3.878 1.00 21.31 H new ATOM 0 HA GLU A 12 17.713 -4.830 -5.120 1.00 70.22 H new ATOM 0 HB2 GLU A 12 15.805 -4.235 -2.979 1.00 64.52 H new ATOM 0 HB3 GLU A 12 15.375 -5.709 -3.823 1.00 64.52 H new ATOM 0 HG2 GLU A 12 17.627 -6.627 -3.424 1.00 74.12 H new ATOM 0 HG3 GLU A 12 18.116 -5.135 -2.644 1.00 74.12 H new ATOM 213 N GLU A 13 14.827 -3.961 -6.358 1.00 2.41 N ATOM 214 CA GLU A 13 13.876 -4.216 -7.433 1.00 51.31 C ATOM 215 C GLU A 13 14.385 -3.651 -8.756 1.00 4.51 C ATOM 216 O GLU A 13 14.125 -4.207 -9.822 1.00 23.40 O ATOM 217 CB GLU A 13 12.514 -3.604 -7.095 1.00 65.33 C ATOM 218 CG GLU A 13 12.494 -2.087 -7.168 1.00 0.35 C ATOM 219 CD GLU A 13 11.107 -1.511 -6.956 1.00 61.32 C ATOM 220 OE1 GLU A 13 10.320 -1.491 -7.926 1.00 32.44 O ATOM 221 OE2 GLU A 13 10.809 -1.081 -5.823 1.00 0.13 O ATOM 0 H GLU A 13 14.683 -3.078 -5.868 1.00 2.41 H new ATOM 0 HA GLU A 13 13.766 -5.295 -7.537 1.00 51.31 H new ATOM 0 HB2 GLU A 13 11.766 -4.002 -7.780 1.00 65.33 H new ATOM 0 HB3 GLU A 13 12.224 -3.915 -6.091 1.00 65.33 H new ATOM 0 HG2 GLU A 13 13.171 -1.682 -6.416 1.00 0.35 H new ATOM 0 HG3 GLU A 13 12.871 -1.769 -8.140 1.00 0.35 H new ATOM 228 N MET A 14 15.112 -2.541 -8.677 1.00 41.45 N ATOM 229 CA MET A 14 15.659 -1.900 -9.868 1.00 52.00 C ATOM 230 C MET A 14 16.401 -2.911 -10.737 1.00 54.51 C ATOM 231 O MET A 14 16.253 -2.920 -11.959 1.00 74.22 O ATOM 232 CB MET A 14 16.601 -0.761 -9.473 1.00 54.33 C ATOM 233 CG MET A 14 15.974 0.618 -9.602 1.00 51.14 C ATOM 234 SD MET A 14 15.127 1.140 -8.099 1.00 31.34 S ATOM 235 CE MET A 14 15.792 2.790 -7.890 1.00 62.50 C ATOM 0 H MET A 14 15.336 -2.067 -7.802 1.00 41.45 H new ATOM 0 HA MET A 14 14.829 -1.492 -10.445 1.00 52.00 H new ATOM 0 HB2 MET A 14 16.925 -0.909 -8.443 1.00 54.33 H new ATOM 0 HB3 MET A 14 17.493 -0.805 -10.097 1.00 54.33 H new ATOM 0 HG2 MET A 14 16.749 1.344 -9.848 1.00 51.14 H new ATOM 0 HG3 MET A 14 15.266 0.615 -10.431 1.00 51.14 H new ATOM 0 HE1 MET A 14 15.611 3.129 -6.870 1.00 62.50 H new ATOM 0 HE2 MET A 14 16.865 2.777 -8.083 1.00 62.50 H new ATOM 0 HE3 MET A 14 15.305 3.470 -8.590 1.00 62.50 H new ATOM 245 N VAL A 15 17.199 -3.760 -10.099 1.00 5.13 N ATOM 246 CA VAL A 15 17.964 -4.775 -10.814 1.00 12.03 C ATOM 247 C VAL A 15 17.045 -5.830 -11.419 1.00 33.24 C ATOM 248 O VAL A 15 17.355 -6.419 -12.454 1.00 5.00 O ATOM 249 CB VAL A 15 18.982 -5.467 -9.888 1.00 10.42 C ATOM 250 CG1 VAL A 15 19.978 -4.456 -9.340 1.00 65.24 C ATOM 251 CG2 VAL A 15 18.267 -6.190 -8.756 1.00 42.34 C ATOM 0 H VAL A 15 17.333 -3.766 -9.088 1.00 5.13 H new ATOM 0 HA VAL A 15 18.501 -4.263 -11.613 1.00 12.03 H new ATOM 0 HB VAL A 15 19.533 -6.206 -10.470 1.00 10.42 H new ATOM 0 HG11 VAL A 15 20.689 -4.963 -8.688 1.00 65.24 H new ATOM 0 HG12 VAL A 15 20.513 -3.988 -10.166 1.00 65.24 H new ATOM 0 HG13 VAL A 15 19.446 -3.692 -8.773 1.00 65.24 H new ATOM 0 HG21 VAL A 15 19.001 -6.673 -8.112 1.00 42.34 H new ATOM 0 HG22 VAL A 15 17.689 -5.472 -8.173 1.00 42.34 H new ATOM 0 HG23 VAL A 15 17.597 -6.943 -9.171 1.00 42.34 H new ATOM 261 N SER A 16 15.911 -6.064 -10.765 1.00 71.25 N ATOM 262 CA SER A 16 14.947 -7.051 -11.237 1.00 31.50 C ATOM 263 C SER A 16 14.507 -6.743 -12.665 1.00 2.51 C ATOM 264 O SER A 16 14.527 -7.614 -13.535 1.00 51.24 O ATOM 265 CB SER A 16 13.728 -7.088 -10.313 1.00 4.54 C ATOM 266 OG SER A 16 13.110 -8.362 -10.333 1.00 61.42 O ATOM 0 H SER A 16 15.638 -5.584 -9.908 1.00 71.25 H new ATOM 0 HA SER A 16 15.431 -8.027 -11.227 1.00 31.50 H new ATOM 0 HB2 SER A 16 14.032 -6.844 -9.295 1.00 4.54 H new ATOM 0 HB3 SER A 16 13.011 -6.328 -10.622 1.00 4.54 H new ATOM 0 HG SER A 16 12.335 -8.359 -9.733 1.00 61.42 H new ATOM 272 N LEU A 17 14.111 -5.496 -12.898 1.00 75.43 N ATOM 273 CA LEU A 17 13.665 -5.070 -14.221 1.00 24.25 C ATOM 274 C LEU A 17 14.733 -5.354 -15.272 1.00 41.13 C ATOM 275 O LEU A 17 14.544 -6.193 -16.153 1.00 42.55 O ATOM 276 CB LEU A 17 13.327 -3.578 -14.210 1.00 62.41 C ATOM 277 CG LEU A 17 12.262 -3.139 -13.206 1.00 15.35 C ATOM 278 CD1 LEU A 17 11.294 -4.277 -12.922 1.00 13.05 C ATOM 279 CD2 LEU A 17 12.911 -2.654 -11.917 1.00 74.13 C ATOM 0 H LEU A 17 14.090 -4.763 -12.189 1.00 75.43 H new ATOM 0 HA LEU A 17 12.770 -5.637 -14.477 1.00 24.25 H new ATOM 0 HB2 LEU A 17 14.241 -3.020 -14.007 1.00 62.41 H new ATOM 0 HB3 LEU A 17 12.995 -3.294 -15.209 1.00 62.41 H new ATOM 0 HG LEU A 17 11.700 -2.312 -13.640 1.00 15.35 H new ATOM 0 HD11 LEU A 17 10.543 -3.945 -12.205 1.00 13.05 H new ATOM 0 HD12 LEU A 17 10.804 -4.577 -13.848 1.00 13.05 H new ATOM 0 HD13 LEU A 17 11.840 -5.125 -12.509 1.00 13.05 H new ATOM 0 HD21 LEU A 17 12.137 -2.345 -11.214 1.00 74.13 H new ATOM 0 HD22 LEU A 17 13.498 -3.461 -11.479 1.00 74.13 H new ATOM 0 HD23 LEU A 17 13.563 -1.808 -12.134 1.00 74.13 H new ATOM 291 N VAL A 18 15.857 -4.650 -15.172 1.00 74.53 N ATOM 292 CA VAL A 18 16.956 -4.829 -16.113 1.00 4.23 C ATOM 293 C VAL A 18 17.321 -6.302 -16.259 1.00 1.21 C ATOM 294 O VAL A 18 17.740 -6.745 -17.329 1.00 15.04 O ATOM 295 CB VAL A 18 18.206 -4.043 -15.671 1.00 34.52 C ATOM 296 CG1 VAL A 18 18.754 -4.602 -14.367 1.00 22.22 C ATOM 297 CG2 VAL A 18 19.266 -4.073 -16.761 1.00 41.20 C ATOM 0 H VAL A 18 16.030 -3.951 -14.449 1.00 74.53 H new ATOM 0 HA VAL A 18 16.615 -4.446 -17.075 1.00 4.23 H new ATOM 0 HB VAL A 18 17.921 -3.005 -15.502 1.00 34.52 H new ATOM 0 HG11 VAL A 18 19.636 -4.035 -14.070 1.00 22.22 H new ATOM 0 HG12 VAL A 18 17.994 -4.524 -13.590 1.00 22.22 H new ATOM 0 HG13 VAL A 18 19.025 -5.649 -14.505 1.00 22.22 H new ATOM 0 HG21 VAL A 18 20.142 -3.513 -16.432 1.00 41.20 H new ATOM 0 HG22 VAL A 18 19.550 -5.106 -16.964 1.00 41.20 H new ATOM 0 HG23 VAL A 18 18.867 -3.622 -17.669 1.00 41.20 H new ATOM 307 N ARG A 19 17.159 -7.056 -15.177 1.00 30.12 N ATOM 308 CA ARG A 19 17.472 -8.480 -15.184 1.00 72.02 C ATOM 309 C ARG A 19 16.446 -9.258 -16.004 1.00 1.24 C ATOM 310 O ARG A 19 16.790 -10.206 -16.709 1.00 44.11 O ATOM 311 CB ARG A 19 17.515 -9.022 -13.754 1.00 52.12 C ATOM 312 CG ARG A 19 18.856 -8.824 -13.068 1.00 5.00 C ATOM 313 CD ARG A 19 18.813 -9.279 -11.618 1.00 30.33 C ATOM 314 NE ARG A 19 18.478 -10.696 -11.499 1.00 4.14 N ATOM 315 CZ ARG A 19 18.321 -11.319 -10.336 1.00 11.42 C ATOM 316 NH1 ARG A 19 18.466 -10.653 -9.198 1.00 44.25 N ATOM 317 NH2 ARG A 19 18.017 -12.610 -10.309 1.00 53.12 N ATOM 0 H ARG A 19 16.813 -6.705 -14.284 1.00 30.12 H new ATOM 0 HA ARG A 19 18.452 -8.609 -15.643 1.00 72.02 H new ATOM 0 HB2 ARG A 19 16.739 -8.532 -13.165 1.00 52.12 H new ATOM 0 HB3 ARG A 19 17.278 -10.086 -13.770 1.00 52.12 H new ATOM 0 HG2 ARG A 19 19.625 -9.381 -13.603 1.00 5.00 H new ATOM 0 HG3 ARG A 19 19.136 -7.772 -13.112 1.00 5.00 H new ATOM 0 HD2 ARG A 19 19.781 -9.095 -11.151 1.00 30.33 H new ATOM 0 HD3 ARG A 19 18.078 -8.686 -11.073 1.00 30.33 H new ATOM 0 HE ARG A 19 18.358 -11.237 -12.356 1.00 4.14 H new ATOM 0 HH11 ARG A 19 18.699 -9.660 -9.214 1.00 44.25 H new ATOM 0 HH12 ARG A 19 18.345 -11.134 -8.307 1.00 44.25 H new ATOM 0 HH21 ARG A 19 17.904 -13.126 -11.182 1.00 53.12 H new ATOM 0 HH22 ARG A 19 17.897 -13.087 -9.415 1.00 53.12 H new ATOM 331 N SER A 20 15.185 -8.850 -15.904 1.00 71.03 N ATOM 332 CA SER A 20 14.108 -9.511 -16.633 1.00 23.04 C ATOM 333 C SER A 20 14.342 -9.431 -18.138 1.00 70.31 C ATOM 334 O SER A 20 13.953 -10.329 -18.887 1.00 43.31 O ATOM 335 CB SER A 20 12.761 -8.877 -16.280 1.00 22.21 C ATOM 336 OG SER A 20 12.325 -8.003 -17.306 1.00 53.11 O ATOM 0 H SER A 20 14.884 -8.066 -15.326 1.00 71.03 H new ATOM 0 HA SER A 20 14.095 -10.561 -16.340 1.00 23.04 H new ATOM 0 HB2 SER A 20 12.018 -9.659 -16.123 1.00 22.21 H new ATOM 0 HB3 SER A 20 12.848 -8.328 -15.343 1.00 22.21 H new ATOM 0 HG SER A 20 12.856 -7.180 -17.282 1.00 53.11 H new ATOM 342 N LEU A 21 14.980 -8.351 -18.575 1.00 15.21 N ATOM 343 CA LEU A 21 15.266 -8.152 -19.991 1.00 42.14 C ATOM 344 C LEU A 21 16.731 -8.447 -20.297 1.00 61.22 C ATOM 345 O LEU A 21 17.567 -8.496 -19.394 1.00 55.41 O ATOM 346 CB LEU A 21 14.926 -6.719 -20.405 1.00 10.15 C ATOM 347 CG LEU A 21 15.845 -5.626 -19.857 1.00 60.40 C ATOM 348 CD1 LEU A 21 16.581 -4.930 -20.991 1.00 65.51 C ATOM 349 CD2 LEU A 21 15.049 -4.620 -19.039 1.00 32.20 C ATOM 0 H LEU A 21 15.309 -7.600 -17.969 1.00 15.21 H new ATOM 0 HA LEU A 21 14.647 -8.845 -20.562 1.00 42.14 H new ATOM 0 HB2 LEU A 21 14.938 -6.664 -21.494 1.00 10.15 H new ATOM 0 HB3 LEU A 21 13.906 -6.502 -20.086 1.00 10.15 H new ATOM 0 HG LEU A 21 16.583 -6.092 -19.204 1.00 60.40 H new ATOM 0 HD11 LEU A 21 17.230 -4.156 -20.582 1.00 65.51 H new ATOM 0 HD12 LEU A 21 17.183 -5.658 -21.535 1.00 65.51 H new ATOM 0 HD13 LEU A 21 15.858 -4.477 -21.670 1.00 65.51 H new ATOM 0 HD21 LEU A 21 15.719 -3.850 -18.657 1.00 32.20 H new ATOM 0 HD22 LEU A 21 14.288 -4.159 -19.669 1.00 32.20 H new ATOM 0 HD23 LEU A 21 14.568 -5.129 -18.204 1.00 32.20 H new ATOM 361 N ASP A 22 17.036 -8.642 -21.575 1.00 54.35 N ATOM 362 CA ASP A 22 18.401 -8.929 -22.001 1.00 55.22 C ATOM 363 C ASP A 22 18.458 -9.189 -23.503 1.00 51.44 C ATOM 364 O ASP A 22 18.171 -10.294 -23.964 1.00 13.35 O ATOM 365 CB ASP A 22 18.951 -10.136 -21.241 1.00 23.21 C ATOM 366 CG ASP A 22 20.299 -9.855 -20.607 1.00 25.21 C ATOM 367 OD1 ASP A 22 21.329 -10.090 -21.274 1.00 13.42 O ATOM 368 OD2 ASP A 22 20.325 -9.402 -19.443 1.00 44.23 O ATOM 0 H ASP A 22 16.356 -8.607 -22.335 1.00 54.35 H new ATOM 0 HA ASP A 22 19.016 -8.057 -21.778 1.00 55.22 H new ATOM 0 HB2 ASP A 22 18.242 -10.428 -20.466 1.00 23.21 H new ATOM 0 HB3 ASP A 22 19.043 -10.981 -21.924 1.00 23.21 H new ATOM 373 N ARG A 23 18.830 -8.163 -24.262 1.00 55.23 N ATOM 374 CA ARG A 23 18.922 -8.280 -25.713 1.00 1.44 C ATOM 375 C ARG A 23 19.628 -7.067 -26.312 1.00 2.23 C ATOM 376 O ARG A 23 19.033 -6.264 -27.031 1.00 3.34 O ATOM 377 CB ARG A 23 17.527 -8.425 -26.324 1.00 43.40 C ATOM 378 CG ARG A 23 17.520 -9.155 -27.657 1.00 14.10 C ATOM 379 CD ARG A 23 17.045 -10.591 -27.502 1.00 63.43 C ATOM 380 NE ARG A 23 17.853 -11.334 -26.538 1.00 42.24 N ATOM 381 CZ ARG A 23 17.905 -12.660 -26.490 1.00 64.24 C ATOM 382 NH1 ARG A 23 17.201 -13.386 -27.347 1.00 73.32 N ATOM 383 NH2 ARG A 23 18.664 -13.263 -25.584 1.00 63.10 N ATOM 0 H ARG A 23 19.072 -7.242 -23.897 1.00 55.23 H new ATOM 0 HA ARG A 23 19.507 -9.170 -25.944 1.00 1.44 H new ATOM 0 HB2 ARG A 23 16.886 -8.960 -25.623 1.00 43.40 H new ATOM 0 HB3 ARG A 23 17.094 -7.434 -26.460 1.00 43.40 H new ATOM 0 HG2 ARG A 23 16.871 -8.629 -28.358 1.00 14.10 H new ATOM 0 HG3 ARG A 23 18.523 -9.146 -28.083 1.00 14.10 H new ATOM 0 HD2 ARG A 23 16.003 -10.596 -27.182 1.00 63.43 H new ATOM 0 HD3 ARG A 23 17.083 -11.092 -28.469 1.00 63.43 H new ATOM 0 HE ARG A 23 18.408 -10.805 -25.865 1.00 42.24 H new ATOM 0 HH11 ARG A 23 16.617 -12.926 -28.046 1.00 73.32 H new ATOM 0 HH12 ARG A 23 17.243 -14.404 -27.308 1.00 73.32 H new ATOM 0 HH21 ARG A 23 19.208 -12.708 -24.924 1.00 63.10 H new ATOM 0 HH22 ARG A 23 18.703 -14.282 -25.548 1.00 63.10 H new ATOM 397 N PRO A 24 20.928 -6.929 -26.009 1.00 73.12 N ATOM 398 CA PRO A 24 21.743 -5.817 -26.507 1.00 71.33 C ATOM 399 C PRO A 24 22.002 -5.915 -28.007 1.00 14.51 C ATOM 400 O PRO A 24 23.083 -6.317 -28.434 1.00 24.02 O ATOM 401 CB PRO A 24 23.053 -5.961 -25.728 1.00 72.03 C ATOM 402 CG PRO A 24 23.123 -7.405 -25.368 1.00 13.21 C ATOM 403 CD PRO A 24 21.701 -7.849 -25.158 1.00 3.50 C ATOM 0 HA PRO A 24 21.250 -4.855 -26.366 1.00 71.33 H new ATOM 0 HB2 PRO A 24 23.909 -5.662 -26.334 1.00 72.03 H new ATOM 0 HB3 PRO A 24 23.056 -5.331 -24.839 1.00 72.03 H new ATOM 0 HG2 PRO A 24 23.599 -7.982 -26.161 1.00 13.21 H new ATOM 0 HG3 PRO A 24 23.716 -7.554 -24.465 1.00 13.21 H new ATOM 0 HD2 PRO A 24 21.556 -8.888 -25.454 1.00 3.50 H new ATOM 0 HD3 PRO A 24 21.406 -7.772 -24.111 1.00 3.50 H new ATOM 411 N GLN A 25 21.002 -5.543 -28.800 1.00 62.15 N ATOM 412 CA GLN A 25 21.123 -5.589 -30.253 1.00 20.32 C ATOM 413 C GLN A 25 21.995 -4.447 -30.763 1.00 51.31 C ATOM 414 O GLN A 25 22.927 -4.663 -31.537 1.00 73.20 O ATOM 415 CB GLN A 25 19.740 -5.521 -30.903 1.00 62.02 C ATOM 416 CG GLN A 25 18.748 -6.520 -30.330 1.00 64.41 C ATOM 417 CD GLN A 25 17.985 -7.268 -31.406 1.00 1.51 C ATOM 418 OE1 GLN A 25 16.822 -6.970 -31.678 1.00 52.34 O ATOM 419 NE2 GLN A 25 18.637 -8.245 -32.025 1.00 4.24 N ATOM 0 H GLN A 25 20.100 -5.207 -28.462 1.00 62.15 H new ATOM 0 HA GLN A 25 21.598 -6.532 -30.524 1.00 20.32 H new ATOM 0 HB2 GLN A 25 19.340 -4.514 -30.782 1.00 62.02 H new ATOM 0 HB3 GLN A 25 19.842 -5.697 -31.974 1.00 62.02 H new ATOM 0 HG2 GLN A 25 19.280 -7.236 -29.703 1.00 64.41 H new ATOM 0 HG3 GLN A 25 18.041 -5.996 -29.686 1.00 64.41 H new ATOM 0 HE21 GLN A 25 19.601 -8.458 -31.767 1.00 4.24 H new ATOM 0 HE22 GLN A 25 18.174 -8.782 -32.758 1.00 4.24 H new ATOM 428 N GLU A 26 21.685 -3.231 -30.324 1.00 51.34 N ATOM 429 CA GLU A 26 22.440 -2.054 -30.739 1.00 24.34 C ATOM 430 C GLU A 26 23.770 -1.971 -29.994 1.00 34.14 C ATOM 431 O GLU A 26 24.821 -1.770 -30.599 1.00 41.44 O ATOM 432 CB GLU A 26 21.624 -0.784 -30.492 1.00 4.34 C ATOM 433 CG GLU A 26 21.082 -0.152 -31.763 1.00 1.14 C ATOM 434 CD GLU A 26 21.912 1.030 -32.227 1.00 35.44 C ATOM 435 OE1 GLU A 26 23.091 1.119 -31.826 1.00 42.23 O ATOM 436 OE2 GLU A 26 21.382 1.864 -32.989 1.00 54.32 O ATOM 0 H GLU A 26 20.917 -3.035 -29.682 1.00 51.34 H new ATOM 0 HA GLU A 26 22.645 -2.143 -31.806 1.00 24.34 H new ATOM 0 HB2 GLU A 26 20.791 -1.021 -29.830 1.00 4.34 H new ATOM 0 HB3 GLU A 26 22.248 -0.057 -29.972 1.00 4.34 H new ATOM 0 HG2 GLU A 26 21.052 -0.902 -32.553 1.00 1.14 H new ATOM 0 HG3 GLU A 26 20.056 0.174 -31.593 1.00 1.14 H new ATOM 443 N ASN A 27 23.713 -2.127 -28.675 1.00 32.41 N ATOM 444 CA ASN A 27 24.911 -2.069 -27.846 1.00 43.10 C ATOM 445 C ASN A 27 25.707 -0.798 -28.129 1.00 32.12 C ATOM 446 O ASN A 27 26.859 -0.857 -28.557 1.00 13.41 O ATOM 447 CB ASN A 27 25.788 -3.298 -28.093 1.00 71.31 C ATOM 448 CG ASN A 27 26.855 -3.471 -27.029 1.00 50.24 C ATOM 449 OD1 ASN A 27 28.023 -3.148 -27.248 1.00 13.35 O ATOM 450 ND2 ASN A 27 26.457 -3.983 -25.870 1.00 44.24 N ATOM 0 H ASN A 27 22.850 -2.294 -28.158 1.00 32.41 H new ATOM 0 HA ASN A 27 24.599 -2.057 -26.802 1.00 43.10 H new ATOM 0 HB2 ASN A 27 25.160 -4.189 -28.122 1.00 71.31 H new ATOM 0 HB3 ASN A 27 26.264 -3.211 -29.070 1.00 71.31 H new ATOM 0 HD21 ASN A 27 27.130 -4.123 -25.116 1.00 44.24 H new ATOM 0 HD22 ASN A 27 25.478 -4.236 -25.734 1.00 44.24 H new ATOM 457 N GLY A 28 25.083 0.351 -27.885 1.00 61.34 N ATOM 458 CA GLY A 28 25.748 1.620 -28.119 1.00 34.50 C ATOM 459 C GLY A 28 25.027 2.781 -27.463 1.00 70.31 C ATOM 460 O GLY A 28 25.660 3.717 -26.973 1.00 32.10 O ATOM 0 H GLY A 28 24.130 0.426 -27.530 1.00 61.34 H new ATOM 0 HA2 GLY A 28 26.768 1.568 -27.738 1.00 34.50 H new ATOM 0 HA3 GLY A 28 25.817 1.798 -29.192 1.00 34.50 H new ATOM 464 N LEU A 29 23.700 2.722 -27.455 1.00 11.44 N ATOM 465 CA LEU A 29 22.891 3.779 -26.855 1.00 65.43 C ATOM 466 C LEU A 29 21.414 3.400 -26.856 1.00 12.10 C ATOM 467 O LEU A 29 20.676 3.734 -25.928 1.00 63.33 O ATOM 468 CB LEU A 29 23.093 5.093 -27.611 1.00 3.32 C ATOM 469 CG LEU A 29 22.051 6.182 -27.354 1.00 11.04 C ATOM 470 CD1 LEU A 29 22.690 7.560 -27.424 1.00 50.22 C ATOM 471 CD2 LEU A 29 20.907 6.071 -28.351 1.00 13.13 C ATOM 0 H LEU A 29 23.161 1.955 -27.857 1.00 11.44 H new ATOM 0 HA LEU A 29 23.213 3.908 -25.822 1.00 65.43 H new ATOM 0 HB2 LEU A 29 24.075 5.490 -27.354 1.00 3.32 H new ATOM 0 HB3 LEU A 29 23.107 4.876 -28.679 1.00 3.32 H new ATOM 0 HG LEU A 29 21.647 6.042 -26.351 1.00 11.04 H new ATOM 0 HD11 LEU A 29 21.933 8.322 -27.239 1.00 50.22 H new ATOM 0 HD12 LEU A 29 23.474 7.636 -26.670 1.00 50.22 H new ATOM 0 HD13 LEU A 29 23.122 7.711 -28.413 1.00 50.22 H new ATOM 0 HD21 LEU A 29 20.175 6.854 -28.153 1.00 13.13 H new ATOM 0 HD22 LEU A 29 21.295 6.184 -29.363 1.00 13.13 H new ATOM 0 HD23 LEU A 29 20.431 5.095 -28.252 1.00 13.13 H new ATOM 483 N PHE A 30 20.988 2.700 -27.902 1.00 63.21 N ATOM 484 CA PHE A 30 19.599 2.274 -28.023 1.00 53.31 C ATOM 485 C PHE A 30 19.259 1.222 -26.972 1.00 73.30 C ATOM 486 O PHE A 30 18.092 0.887 -26.768 1.00 12.01 O ATOM 487 CB PHE A 30 19.334 1.717 -29.423 1.00 52.33 C ATOM 488 CG PHE A 30 18.698 2.711 -30.353 1.00 65.15 C ATOM 489 CD1 PHE A 30 19.408 3.814 -30.799 1.00 50.50 C ATOM 490 CD2 PHE A 30 17.392 2.541 -30.783 1.00 1.04 C ATOM 491 CE1 PHE A 30 18.825 4.731 -31.654 1.00 63.43 C ATOM 492 CE2 PHE A 30 16.804 3.454 -31.638 1.00 63.32 C ATOM 493 CZ PHE A 30 17.522 4.549 -32.075 1.00 44.44 C ATOM 0 H PHE A 30 21.585 2.416 -28.678 1.00 63.21 H new ATOM 0 HA PHE A 30 18.963 3.144 -27.859 1.00 53.31 H new ATOM 0 HB2 PHE A 30 20.276 1.378 -29.855 1.00 52.33 H new ATOM 0 HB3 PHE A 30 18.688 0.843 -29.341 1.00 52.33 H new ATOM 0 HD1 PHE A 30 20.428 3.959 -30.475 1.00 50.50 H new ATOM 0 HD2 PHE A 30 16.827 1.685 -30.446 1.00 1.04 H new ATOM 0 HE1 PHE A 30 19.388 5.589 -31.992 1.00 63.43 H new ATOM 0 HE2 PHE A 30 15.784 3.311 -31.964 1.00 63.32 H new ATOM 0 HZ PHE A 30 17.066 5.262 -32.745 1.00 44.44 H new ATOM 503 N SER A 31 20.287 0.703 -26.308 1.00 50.23 N ATOM 504 CA SER A 31 20.099 -0.315 -25.281 1.00 52.32 C ATOM 505 C SER A 31 21.242 -0.285 -24.271 1.00 15.32 C ATOM 506 O SER A 31 21.514 -1.278 -23.597 1.00 40.03 O ATOM 507 CB SER A 31 20.004 -1.702 -25.919 1.00 54.14 C ATOM 508 OG SER A 31 18.834 -1.820 -26.711 1.00 31.03 O ATOM 0 H SER A 31 21.259 0.971 -26.463 1.00 50.23 H new ATOM 0 HA SER A 31 19.168 -0.099 -24.757 1.00 52.32 H new ATOM 0 HB2 SER A 31 20.884 -1.883 -26.536 1.00 54.14 H new ATOM 0 HB3 SER A 31 19.998 -2.464 -25.140 1.00 54.14 H new ATOM 0 HG SER A 31 18.362 -0.961 -26.728 1.00 31.03 H new ATOM 514 N GLN A 32 21.906 0.862 -24.172 1.00 53.30 N ATOM 515 CA GLN A 32 23.020 1.022 -23.245 1.00 15.13 C ATOM 516 C GLN A 32 23.192 2.485 -22.848 1.00 32.53 C ATOM 517 O GLN A 32 22.440 3.352 -23.294 1.00 21.34 O ATOM 518 CB GLN A 32 24.312 0.496 -23.871 1.00 71.14 C ATOM 519 CG GLN A 32 24.996 -0.580 -23.043 1.00 53.20 C ATOM 520 CD GLN A 32 24.170 -1.846 -22.935 1.00 35.33 C ATOM 521 OE1 GLN A 32 23.925 -2.493 -24.069 1.00 3.42 O flip ATOM 522 NE2 GLN A 32 23.755 -2.240 -21.844 1.00 10.35 N flip ATOM 0 H GLN A 32 21.692 1.694 -24.722 1.00 53.30 H new ATOM 0 HA GLN A 32 22.799 0.444 -22.348 1.00 15.13 H new ATOM 0 HB2 GLN A 32 24.090 0.095 -24.860 1.00 71.14 H new ATOM 0 HB3 GLN A 32 25.002 1.328 -24.012 1.00 71.14 H new ATOM 0 HG2 GLN A 32 25.962 -0.818 -23.489 1.00 53.20 H new ATOM 0 HG3 GLN A 32 25.194 -0.193 -22.043 1.00 53.20 H new ATOM 0 HE21 GLN A 32 23.966 -1.712 -20.997 1.00 10.35 H new ATOM 0 HE22 GLN A 32 23.200 -3.094 -21.788 1.00 10.35 H new ATOM 531 N ASP A 33 24.185 2.751 -22.007 1.00 62.01 N ATOM 532 CA ASP A 33 24.457 4.109 -21.550 1.00 72.01 C ATOM 533 C ASP A 33 25.478 4.793 -22.454 1.00 72.43 C ATOM 534 O ASP A 33 26.668 4.479 -22.413 1.00 14.34 O ATOM 535 CB ASP A 33 24.965 4.093 -20.108 1.00 33.54 C ATOM 536 CG ASP A 33 23.939 3.536 -19.139 1.00 45.51 C ATOM 537 OD1 ASP A 33 23.420 2.430 -19.395 1.00 73.13 O ATOM 538 OD2 ASP A 33 23.657 4.207 -18.124 1.00 44.35 O ATOM 0 H ASP A 33 24.815 2.044 -21.628 1.00 62.01 H new ATOM 0 HA ASP A 33 23.525 4.673 -21.593 1.00 72.01 H new ATOM 0 HB2 ASP A 33 25.875 3.495 -20.053 1.00 33.54 H new ATOM 0 HB3 ASP A 33 25.231 5.107 -19.808 1.00 33.54 H new ATOM 543 N VAL A 34 25.004 5.727 -23.272 1.00 44.51 N ATOM 544 CA VAL A 34 25.876 6.456 -24.187 1.00 34.43 C ATOM 545 C VAL A 34 27.035 7.105 -23.441 1.00 5.45 C ATOM 546 O VAL A 34 28.091 7.368 -24.019 1.00 12.31 O ATOM 547 CB VAL A 34 25.100 7.543 -24.955 1.00 23.44 C ATOM 548 CG1 VAL A 34 24.685 8.666 -24.017 1.00 33.33 C ATOM 549 CG2 VAL A 34 25.937 8.080 -26.106 1.00 12.32 C ATOM 0 H VAL A 34 24.022 5.997 -23.320 1.00 44.51 H new ATOM 0 HA VAL A 34 26.268 5.729 -24.898 1.00 34.43 H new ATOM 0 HB VAL A 34 24.196 7.097 -25.370 1.00 23.44 H new ATOM 0 HG11 VAL A 34 24.138 9.425 -24.577 1.00 33.33 H new ATOM 0 HG12 VAL A 34 24.046 8.265 -23.230 1.00 33.33 H new ATOM 0 HG13 VAL A 34 25.573 9.114 -23.571 1.00 33.33 H new ATOM 0 HG21 VAL A 34 25.374 8.847 -26.638 1.00 12.32 H new ATOM 0 HG22 VAL A 34 26.859 8.512 -25.715 1.00 12.32 H new ATOM 0 HG23 VAL A 34 26.179 7.267 -26.790 1.00 12.32 H new ATOM 559 N LEU A 35 26.834 7.362 -22.153 1.00 34.01 N ATOM 560 CA LEU A 35 27.863 7.981 -21.325 1.00 43.15 C ATOM 561 C LEU A 35 29.071 7.061 -21.180 1.00 31.24 C ATOM 562 O LEU A 35 30.178 7.514 -20.887 1.00 24.44 O ATOM 563 CB LEU A 35 27.299 8.323 -19.946 1.00 10.45 C ATOM 564 CG LEU A 35 25.874 8.879 -19.922 1.00 24.42 C ATOM 565 CD1 LEU A 35 25.466 9.240 -18.502 1.00 71.31 C ATOM 566 CD2 LEU A 35 25.759 10.089 -20.836 1.00 54.34 C ATOM 0 H LEU A 35 25.967 7.151 -21.659 1.00 34.01 H new ATOM 0 HA LEU A 35 28.186 8.899 -21.816 1.00 43.15 H new ATOM 0 HB2 LEU A 35 27.327 7.424 -19.331 1.00 10.45 H new ATOM 0 HB3 LEU A 35 27.960 9.051 -19.476 1.00 10.45 H new ATOM 0 HG LEU A 35 25.197 8.107 -20.287 1.00 24.42 H new ATOM 0 HD11 LEU A 35 24.450 9.634 -18.504 1.00 71.31 H new ATOM 0 HD12 LEU A 35 25.509 8.350 -17.874 1.00 71.31 H new ATOM 0 HD13 LEU A 35 26.147 9.995 -18.109 1.00 71.31 H new ATOM 0 HD21 LEU A 35 24.739 10.472 -20.807 1.00 54.34 H new ATOM 0 HD22 LEU A 35 26.447 10.865 -20.501 1.00 54.34 H new ATOM 0 HD23 LEU A 35 26.008 9.799 -21.857 1.00 54.34 H new ATOM 578 N LEU A 36 28.851 5.767 -21.388 1.00 11.43 N ATOM 579 CA LEU A 36 29.922 4.782 -21.282 1.00 12.42 C ATOM 580 C LEU A 36 30.634 4.606 -22.619 1.00 74.13 C ATOM 581 O LEU A 36 31.449 3.699 -22.784 1.00 31.13 O ATOM 582 CB LEU A 36 29.362 3.440 -20.808 1.00 52.01 C ATOM 583 CG LEU A 36 29.312 3.230 -19.294 1.00 41.13 C ATOM 584 CD1 LEU A 36 28.307 4.177 -18.657 1.00 20.22 C ATOM 585 CD2 LEU A 36 28.967 1.784 -18.967 1.00 45.45 C ATOM 0 H LEU A 36 27.941 5.376 -21.631 1.00 11.43 H new ATOM 0 HA LEU A 36 30.645 5.145 -20.552 1.00 12.42 H new ATOM 0 HB2 LEU A 36 28.352 3.331 -21.203 1.00 52.01 H new ATOM 0 HB3 LEU A 36 29.964 2.643 -21.245 1.00 52.01 H new ATOM 0 HG LEU A 36 30.298 3.449 -18.883 1.00 41.13 H new ATOM 0 HD11 LEU A 36 28.285 4.013 -17.580 1.00 20.22 H new ATOM 0 HD12 LEU A 36 28.598 5.207 -18.862 1.00 20.22 H new ATOM 0 HD13 LEU A 36 27.317 3.990 -19.073 1.00 20.22 H new ATOM 0 HD21 LEU A 36 28.936 1.653 -17.885 1.00 45.45 H new ATOM 0 HD22 LEU A 36 27.993 1.538 -19.391 1.00 45.45 H new ATOM 0 HD23 LEU A 36 29.724 1.124 -19.391 1.00 45.45 H new ATOM 597 N GLN A 37 30.321 5.480 -23.570 1.00 55.12 N ATOM 598 CA GLN A 37 30.932 5.421 -24.893 1.00 12.13 C ATOM 599 C GLN A 37 32.170 6.309 -24.960 1.00 62.31 C ATOM 600 O GLN A 37 33.298 5.816 -25.005 1.00 73.11 O ATOM 601 CB GLN A 37 29.925 5.848 -25.963 1.00 22.35 C ATOM 602 CG GLN A 37 28.596 5.115 -25.874 1.00 63.33 C ATOM 603 CD GLN A 37 28.729 3.630 -26.150 1.00 24.13 C ATOM 604 OE1 GLN A 37 29.617 3.201 -26.887 1.00 22.40 O ATOM 605 NE2 GLN A 37 27.845 2.836 -25.557 1.00 2.01 N ATOM 0 H GLN A 37 29.648 6.237 -23.449 1.00 55.12 H new ATOM 0 HA GLN A 37 31.235 4.391 -25.080 1.00 12.13 H new ATOM 0 HB2 GLN A 37 29.746 6.920 -25.875 1.00 22.35 H new ATOM 0 HB3 GLN A 37 30.360 5.677 -26.948 1.00 22.35 H new ATOM 0 HG2 GLN A 37 28.172 5.259 -24.880 1.00 63.33 H new ATOM 0 HG3 GLN A 37 27.896 5.552 -26.586 1.00 63.33 H new ATOM 0 HE21 GLN A 37 27.125 3.235 -24.954 1.00 2.01 H new ATOM 0 HE22 GLN A 37 27.886 1.828 -25.705 1.00 2.01 H new ATOM 614 N TYR A 38 31.953 7.619 -24.967 1.00 51.02 N ATOM 615 CA TYR A 38 33.051 8.576 -25.032 1.00 64.41 C ATOM 616 C TYR A 38 32.607 9.950 -24.542 1.00 15.11 C ATOM 617 O TYR A 38 31.453 10.350 -24.699 1.00 12.24 O ATOM 618 CB TYR A 38 33.581 8.679 -26.463 1.00 44.22 C ATOM 619 CG TYR A 38 34.615 7.630 -26.804 1.00 22.45 C ATOM 620 CD1 TYR A 38 35.725 7.431 -25.991 1.00 72.51 C ATOM 621 CD2 TYR A 38 34.483 6.838 -27.938 1.00 23.14 C ATOM 622 CE1 TYR A 38 36.672 6.473 -26.298 1.00 44.32 C ATOM 623 CE2 TYR A 38 35.425 5.877 -28.252 1.00 1.43 C ATOM 624 CZ TYR A 38 36.518 5.699 -27.429 1.00 51.02 C ATOM 625 OH TYR A 38 37.459 4.744 -27.739 1.00 50.24 O ATOM 0 H TYR A 38 31.026 8.043 -24.928 1.00 51.02 H new ATOM 0 HA TYR A 38 33.849 8.219 -24.381 1.00 64.41 H new ATOM 0 HB2 TYR A 38 32.746 8.593 -27.158 1.00 44.22 H new ATOM 0 HB3 TYR A 38 34.017 9.667 -26.610 1.00 44.22 H new ATOM 0 HD1 TYR A 38 35.849 8.035 -25.105 1.00 72.51 H new ATOM 0 HD2 TYR A 38 33.629 6.976 -28.585 1.00 23.14 H new ATOM 0 HE1 TYR A 38 37.528 6.331 -25.656 1.00 44.32 H new ATOM 0 HE2 TYR A 38 35.306 5.269 -29.137 1.00 1.43 H new ATOM 0 HH TYR A 38 37.201 4.286 -28.566 1.00 50.24 H new ATOM 635 N PRO A 39 33.544 10.692 -23.934 1.00 10.12 N ATOM 636 CA PRO A 39 33.274 12.034 -23.409 1.00 20.13 C ATOM 637 C PRO A 39 33.045 13.055 -24.518 1.00 4.23 C ATOM 638 O PRO A 39 33.975 13.739 -24.944 1.00 51.51 O ATOM 639 CB PRO A 39 34.545 12.371 -22.625 1.00 63.43 C ATOM 640 CG PRO A 39 35.611 11.546 -23.260 1.00 61.22 C ATOM 641 CD PRO A 39 34.940 10.278 -23.712 1.00 52.54 C ATOM 0 HA PRO A 39 32.366 12.061 -22.807 1.00 20.13 H new ATOM 0 HB2 PRO A 39 34.778 13.434 -22.686 1.00 63.43 H new ATOM 0 HB3 PRO A 39 34.434 12.129 -21.568 1.00 63.43 H new ATOM 0 HG2 PRO A 39 36.061 12.071 -24.103 1.00 61.22 H new ATOM 0 HG3 PRO A 39 36.412 11.333 -22.553 1.00 61.22 H new ATOM 0 HD2 PRO A 39 35.393 9.886 -24.623 1.00 52.54 H new ATOM 0 HD3 PRO A 39 35.012 9.494 -22.958 1.00 52.54 H new ATOM 649 N GLU A 40 31.803 13.152 -24.980 1.00 13.34 N ATOM 650 CA GLU A 40 31.454 14.091 -26.040 1.00 33.23 C ATOM 651 C GLU A 40 29.957 14.045 -26.336 1.00 65.32 C ATOM 652 O GLU A 40 29.343 15.065 -26.650 1.00 44.41 O ATOM 653 CB GLU A 40 32.246 13.777 -27.310 1.00 44.23 C ATOM 654 CG GLU A 40 32.359 12.291 -27.606 1.00 5.11 C ATOM 655 CD GLU A 40 33.798 11.832 -27.746 1.00 72.12 C ATOM 656 OE1 GLU A 40 34.669 12.385 -27.043 1.00 41.14 O ATOM 657 OE2 GLU A 40 34.052 10.918 -28.559 1.00 54.43 O ATOM 0 H GLU A 40 31.022 12.593 -24.638 1.00 13.34 H new ATOM 0 HA GLU A 40 31.709 15.095 -25.700 1.00 33.23 H new ATOM 0 HB2 GLU A 40 31.770 14.272 -28.156 1.00 44.23 H new ATOM 0 HB3 GLU A 40 33.247 14.197 -27.217 1.00 44.23 H new ATOM 0 HG2 GLU A 40 31.878 11.727 -26.807 1.00 5.11 H new ATOM 0 HG3 GLU A 40 31.818 12.065 -28.525 1.00 5.11 H new ATOM 664 N LEU A 41 29.377 12.854 -26.235 1.00 51.22 N ATOM 665 CA LEU A 41 27.952 12.673 -26.493 1.00 4.42 C ATOM 666 C LEU A 41 27.190 12.436 -25.193 1.00 71.02 C ATOM 667 O LEU A 41 25.987 12.178 -25.206 1.00 73.03 O ATOM 668 CB LEU A 41 27.732 11.500 -27.449 1.00 31.55 C ATOM 669 CG LEU A 41 28.499 10.217 -27.125 1.00 32.05 C ATOM 670 CD1 LEU A 41 29.925 10.302 -27.645 1.00 61.13 C ATOM 671 CD2 LEU A 41 28.491 9.955 -25.626 1.00 1.25 C ATOM 0 H LEU A 41 29.871 12.000 -25.977 1.00 51.22 H new ATOM 0 HA LEU A 41 27.572 13.585 -26.954 1.00 4.42 H new ATOM 0 HB2 LEU A 41 26.667 11.268 -27.468 1.00 31.55 H new ATOM 0 HB3 LEU A 41 28.007 11.820 -28.454 1.00 31.55 H new ATOM 0 HG LEU A 41 28.002 9.384 -27.622 1.00 32.05 H new ATOM 0 HD11 LEU A 41 30.455 9.380 -27.405 1.00 61.13 H new ATOM 0 HD12 LEU A 41 29.910 10.442 -28.726 1.00 61.13 H new ATOM 0 HD13 LEU A 41 30.433 11.145 -27.177 1.00 61.13 H new ATOM 0 HD21 LEU A 41 29.041 9.038 -25.414 1.00 1.25 H new ATOM 0 HD22 LEU A 41 28.963 10.790 -25.108 1.00 1.25 H new ATOM 0 HD23 LEU A 41 27.463 9.849 -25.281 1.00 1.25 H new ATOM 683 N ALA A 42 27.898 12.527 -24.072 1.00 42.24 N ATOM 684 CA ALA A 42 27.287 12.327 -22.764 1.00 64.43 C ATOM 685 C ALA A 42 26.477 13.548 -22.344 1.00 1.03 C ATOM 686 O ALA A 42 25.381 13.419 -21.800 1.00 11.12 O ATOM 687 CB ALA A 42 28.355 12.016 -21.726 1.00 32.35 C ATOM 0 H ALA A 42 28.896 12.738 -24.044 1.00 42.24 H new ATOM 0 HA ALA A 42 26.606 11.479 -22.834 1.00 64.43 H new ATOM 0 HB1 ALA A 42 27.885 11.869 -20.753 1.00 32.35 H new ATOM 0 HB2 ALA A 42 28.888 11.109 -22.013 1.00 32.35 H new ATOM 0 HB3 ALA A 42 29.058 12.847 -21.667 1.00 32.35 H new ATOM 693 N GLU A 43 27.025 14.732 -22.599 1.00 14.32 N ATOM 694 CA GLU A 43 26.352 15.976 -22.244 1.00 53.44 C ATOM 695 C GLU A 43 25.088 16.168 -23.078 1.00 43.45 C ATOM 696 O GLU A 43 24.116 16.770 -22.622 1.00 70.23 O ATOM 697 CB GLU A 43 27.293 17.166 -22.444 1.00 2.14 C ATOM 698 CG GLU A 43 28.429 17.219 -21.436 1.00 31.14 C ATOM 699 CD GLU A 43 29.584 16.311 -21.810 1.00 61.21 C ATOM 700 OE1 GLU A 43 30.283 16.618 -22.798 1.00 41.05 O ATOM 701 OE2 GLU A 43 29.789 15.293 -21.116 1.00 10.53 O ATOM 0 H GLU A 43 27.932 14.856 -23.049 1.00 14.32 H new ATOM 0 HA GLU A 43 26.068 15.918 -21.193 1.00 53.44 H new ATOM 0 HB2 GLU A 43 27.712 17.122 -23.449 1.00 2.14 H new ATOM 0 HB3 GLU A 43 26.717 18.089 -22.379 1.00 2.14 H new ATOM 0 HG2 GLU A 43 28.790 18.244 -21.354 1.00 31.14 H new ATOM 0 HG3 GLU A 43 28.052 16.935 -20.454 1.00 31.14 H new ATOM 708 N SER A 44 25.111 15.653 -24.304 1.00 2.34 N ATOM 709 CA SER A 44 23.970 15.771 -25.204 1.00 1.32 C ATOM 710 C SER A 44 22.829 14.863 -24.756 1.00 13.30 C ATOM 711 O SER A 44 21.657 15.154 -24.999 1.00 43.03 O ATOM 712 CB SER A 44 24.384 15.421 -26.634 1.00 50.35 C ATOM 713 OG SER A 44 23.721 14.253 -27.086 1.00 54.30 O ATOM 0 H SER A 44 25.907 15.150 -24.696 1.00 2.34 H new ATOM 0 HA SER A 44 23.622 16.803 -25.177 1.00 1.32 H new ATOM 0 HB2 SER A 44 24.152 16.254 -27.297 1.00 50.35 H new ATOM 0 HB3 SER A 44 25.463 15.270 -26.677 1.00 50.35 H new ATOM 0 HG SER A 44 24.002 14.052 -28.003 1.00 54.30 H new ATOM 719 N TYR A 45 23.179 13.763 -24.100 1.00 64.33 N ATOM 720 CA TYR A 45 22.186 12.810 -23.620 1.00 32.20 C ATOM 721 C TYR A 45 21.726 13.166 -22.210 1.00 2.34 C ATOM 722 O TYR A 45 20.541 13.400 -21.969 1.00 42.15 O ATOM 723 CB TYR A 45 22.758 11.391 -23.639 1.00 11.43 C ATOM 724 CG TYR A 45 21.759 10.341 -24.071 1.00 5.40 C ATOM 725 CD1 TYR A 45 21.068 10.464 -25.270 1.00 12.41 C ATOM 726 CD2 TYR A 45 21.507 9.227 -23.281 1.00 10.15 C ATOM 727 CE1 TYR A 45 20.154 9.508 -25.669 1.00 22.02 C ATOM 728 CE2 TYR A 45 20.596 8.265 -23.672 1.00 43.11 C ATOM 729 CZ TYR A 45 19.922 8.410 -24.867 1.00 3.12 C ATOM 730 OH TYR A 45 19.013 7.455 -25.260 1.00 22.33 O ATOM 0 H TYR A 45 24.144 13.509 -23.888 1.00 64.33 H new ATOM 0 HA TYR A 45 21.325 12.856 -24.286 1.00 32.20 H new ATOM 0 HB2 TYR A 45 23.616 11.363 -24.311 1.00 11.43 H new ATOM 0 HB3 TYR A 45 23.125 11.143 -22.643 1.00 11.43 H new ATOM 0 HD1 TYR A 45 21.248 11.322 -25.901 1.00 12.41 H new ATOM 0 HD2 TYR A 45 22.032 9.111 -22.345 1.00 10.15 H new ATOM 0 HE1 TYR A 45 19.624 9.620 -26.603 1.00 22.02 H new ATOM 0 HE2 TYR A 45 20.412 7.404 -23.046 1.00 43.11 H new ATOM 0 HH TYR A 45 18.969 6.747 -24.583 1.00 22.33 H new ATOM 740 N THR A 46 22.674 13.207 -21.278 1.00 32.11 N ATOM 741 CA THR A 46 22.369 13.534 -19.891 1.00 14.10 C ATOM 742 C THR A 46 21.567 14.827 -19.795 1.00 2.33 C ATOM 743 O THR A 46 20.767 15.007 -18.877 1.00 13.33 O ATOM 744 CB THR A 46 23.652 13.675 -19.051 1.00 43.34 C ATOM 745 OG1 THR A 46 23.320 13.786 -17.663 1.00 51.20 O ATOM 746 CG2 THR A 46 24.452 14.895 -19.486 1.00 35.43 C ATOM 0 H THR A 46 23.660 13.018 -21.459 1.00 32.11 H new ATOM 0 HA THR A 46 21.774 12.710 -19.496 1.00 14.10 H new ATOM 0 HB THR A 46 24.262 12.785 -19.207 1.00 43.34 H new ATOM 0 HG1 THR A 46 24.142 13.874 -17.136 1.00 51.20 H new ATOM 0 HG21 THR A 46 25.354 14.974 -18.879 1.00 35.43 H new ATOM 0 HG22 THR A 46 24.729 14.793 -20.535 1.00 35.43 H new ATOM 0 HG23 THR A 46 23.847 15.792 -19.356 1.00 35.43 H new ATOM 754 N LYS A 47 21.787 15.726 -20.748 1.00 54.14 N ATOM 755 CA LYS A 47 21.084 17.003 -20.773 1.00 55.21 C ATOM 756 C LYS A 47 19.573 16.794 -20.731 1.00 22.23 C ATOM 757 O LYS A 47 18.824 17.683 -20.327 1.00 41.41 O ATOM 758 CB LYS A 47 21.464 17.794 -22.027 1.00 4.34 C ATOM 759 CG LYS A 47 20.543 18.969 -22.308 1.00 61.40 C ATOM 760 CD LYS A 47 19.435 18.588 -23.276 1.00 12.54 C ATOM 761 CE LYS A 47 18.092 19.149 -22.833 1.00 50.21 C ATOM 762 NZ LYS A 47 17.432 19.928 -23.917 1.00 74.22 N ATOM 0 H LYS A 47 22.447 15.594 -21.514 1.00 54.14 H new ATOM 0 HA LYS A 47 21.380 17.569 -19.890 1.00 55.21 H new ATOM 0 HB2 LYS A 47 22.485 18.161 -21.919 1.00 4.34 H new ATOM 0 HB3 LYS A 47 21.455 17.123 -22.886 1.00 4.34 H new ATOM 0 HG2 LYS A 47 20.106 19.322 -21.374 1.00 61.40 H new ATOM 0 HG3 LYS A 47 21.121 19.795 -22.722 1.00 61.40 H new ATOM 0 HD2 LYS A 47 19.676 18.961 -24.272 1.00 12.54 H new ATOM 0 HD3 LYS A 47 19.371 17.502 -23.349 1.00 12.54 H new ATOM 0 HE2 LYS A 47 17.440 18.331 -22.525 1.00 50.21 H new ATOM 0 HE3 LYS A 47 18.235 19.788 -21.962 1.00 50.21 H new ATOM 0 HZ1 LYS A 47 16.520 20.293 -23.576 1.00 74.22 H new ATOM 0 HZ2 LYS A 47 18.042 20.723 -24.194 1.00 74.22 H new ATOM 0 HZ3 LYS A 47 17.272 19.312 -24.739 1.00 74.22 H new ATOM 776 N VAL A 48 19.132 15.611 -21.149 1.00 3.45 N ATOM 777 CA VAL A 48 17.711 15.284 -21.156 1.00 5.33 C ATOM 778 C VAL A 48 17.334 14.446 -19.939 1.00 44.32 C ATOM 779 O VAL A 48 16.388 14.768 -19.220 1.00 54.13 O ATOM 780 CB VAL A 48 17.318 14.520 -22.434 1.00 12.22 C ATOM 781 CG1 VAL A 48 15.825 14.652 -22.697 1.00 5.22 C ATOM 782 CG2 VAL A 48 18.123 15.021 -23.623 1.00 5.21 C ATOM 0 H VAL A 48 19.738 14.864 -21.487 1.00 3.45 H new ATOM 0 HA VAL A 48 17.168 16.229 -21.125 1.00 5.33 H new ATOM 0 HB VAL A 48 17.546 13.464 -22.290 1.00 12.22 H new ATOM 0 HG11 VAL A 48 15.566 14.106 -23.604 1.00 5.22 H new ATOM 0 HG12 VAL A 48 15.269 14.241 -21.854 1.00 5.22 H new ATOM 0 HG13 VAL A 48 15.569 15.704 -22.821 1.00 5.22 H new ATOM 0 HG21 VAL A 48 17.832 14.470 -24.517 1.00 5.21 H new ATOM 0 HG22 VAL A 48 17.929 16.083 -23.772 1.00 5.21 H new ATOM 0 HG23 VAL A 48 19.186 14.869 -23.433 1.00 5.21 H new ATOM 792 N CYS A 49 18.081 13.371 -19.714 1.00 71.24 N ATOM 793 CA CYS A 49 17.825 12.485 -18.584 1.00 50.10 C ATOM 794 C CYS A 49 18.772 11.290 -18.604 1.00 63.05 C ATOM 795 O CYS A 49 19.402 10.983 -19.617 1.00 75.51 O ATOM 796 CB CYS A 49 16.374 12.002 -18.606 1.00 62.24 C ATOM 797 SG CYS A 49 16.179 10.275 -19.106 1.00 10.03 S ATOM 0 H CYS A 49 18.869 13.092 -20.299 1.00 71.24 H new ATOM 0 HA CYS A 49 17.999 13.048 -17.667 1.00 50.10 H new ATOM 0 HB2 CYS A 49 15.944 12.133 -17.613 1.00 62.24 H new ATOM 0 HB3 CYS A 49 15.802 12.633 -19.287 1.00 62.24 H new ATOM 0 HG CYS A 49 14.957 10.073 -19.500 1.00 10.03 H new ATOM 803 N PRO A 50 18.879 10.600 -17.459 1.00 70.45 N ATOM 804 CA PRO A 50 19.749 9.428 -17.320 1.00 34.32 C ATOM 805 C PRO A 50 19.236 8.228 -18.110 1.00 2.24 C ATOM 806 O PRO A 50 18.579 7.346 -17.559 1.00 62.33 O ATOM 807 CB PRO A 50 19.710 9.135 -15.818 1.00 25.32 C ATOM 808 CG PRO A 50 18.413 9.702 -15.354 1.00 63.11 C ATOM 809 CD PRO A 50 18.159 10.909 -16.213 1.00 55.42 C ATOM 0 HA PRO A 50 20.751 9.615 -17.707 1.00 34.32 H new ATOM 0 HB2 PRO A 50 19.766 8.064 -15.622 1.00 25.32 H new ATOM 0 HB3 PRO A 50 20.551 9.598 -15.303 1.00 25.32 H new ATOM 0 HG2 PRO A 50 17.609 8.973 -15.457 1.00 63.11 H new ATOM 0 HG3 PRO A 50 18.461 9.976 -14.300 1.00 63.11 H new ATOM 0 HD2 PRO A 50 17.094 11.058 -16.391 1.00 55.42 H new ATOM 0 HD3 PRO A 50 18.535 11.820 -15.747 1.00 55.42 H new ATOM 817 N ASN A 51 19.542 8.203 -19.403 1.00 32.31 N ATOM 818 CA ASN A 51 19.112 7.111 -20.269 1.00 33.35 C ATOM 819 C ASN A 51 17.597 7.126 -20.451 1.00 61.24 C ATOM 820 O ASN A 51 16.846 7.238 -19.483 1.00 12.14 O ATOM 821 CB ASN A 51 19.553 5.766 -19.686 1.00 50.42 C ATOM 822 CG ASN A 51 20.994 5.786 -19.215 1.00 63.42 C ATOM 823 OD1 ASN A 51 21.878 6.341 -20.036 1.00 24.43 O flip ATOM 824 ND2 ASN A 51 21.309 5.307 -18.126 1.00 54.44 N flip ATOM 0 H ASN A 51 20.086 8.926 -19.874 1.00 32.31 H new ATOM 0 HA ASN A 51 19.579 7.248 -21.244 1.00 33.35 H new ATOM 0 HB2 ASN A 51 18.904 5.505 -18.850 1.00 50.42 H new ATOM 0 HB3 ASN A 51 19.431 4.988 -20.440 1.00 50.42 H new ATOM 0 HD21 ASN A 51 20.596 4.890 -17.527 1.00 54.44 H new ATOM 0 HD22 ASN A 51 22.283 5.327 -17.823 1.00 54.44 H new ATOM 831 N ARG A 52 17.156 7.011 -21.700 1.00 1.32 N ATOM 832 CA ARG A 52 15.732 7.012 -22.010 1.00 54.40 C ATOM 833 C ARG A 52 15.320 5.705 -22.680 1.00 62.33 C ATOM 834 O ARG A 52 14.376 5.671 -23.470 1.00 34.21 O ATOM 835 CB ARG A 52 15.387 8.194 -22.918 1.00 75.03 C ATOM 836 CG ARG A 52 15.808 9.540 -22.353 1.00 12.44 C ATOM 837 CD ARG A 52 15.937 10.589 -23.447 1.00 33.43 C ATOM 838 NE ARG A 52 14.675 11.282 -23.691 1.00 41.43 N ATOM 839 CZ ARG A 52 14.458 12.064 -24.743 1.00 3.40 C ATOM 840 NH1 ARG A 52 15.414 12.251 -25.643 1.00 30.21 N ATOM 841 NH2 ARG A 52 13.283 12.662 -24.896 1.00 63.43 N ATOM 0 H ARG A 52 17.765 6.916 -22.513 1.00 1.32 H new ATOM 0 HA ARG A 52 15.182 7.109 -21.074 1.00 54.40 H new ATOM 0 HB2 ARG A 52 15.867 8.050 -23.886 1.00 75.03 H new ATOM 0 HB3 ARG A 52 14.311 8.204 -23.094 1.00 75.03 H new ATOM 0 HG2 ARG A 52 15.077 9.871 -21.615 1.00 12.44 H new ATOM 0 HG3 ARG A 52 16.761 9.436 -21.834 1.00 12.44 H new ATOM 0 HD2 ARG A 52 16.701 11.314 -23.166 1.00 33.43 H new ATOM 0 HD3 ARG A 52 16.273 10.113 -24.368 1.00 33.43 H new ATOM 0 HE ARG A 52 13.919 11.159 -23.017 1.00 41.43 H new ATOM 0 HH11 ARG A 52 16.319 11.794 -25.529 1.00 30.21 H new ATOM 0 HH12 ARG A 52 15.245 12.852 -26.450 1.00 30.21 H new ATOM 0 HH21 ARG A 52 12.545 12.521 -24.206 1.00 63.43 H new ATOM 0 HH22 ARG A 52 13.118 13.262 -25.704 1.00 63.43 H new ATOM 855 N CYS A 53 16.035 4.632 -22.361 1.00 21.13 N ATOM 856 CA CYS A 53 15.745 3.322 -22.933 1.00 25.32 C ATOM 857 C CYS A 53 14.929 2.473 -21.963 1.00 42.41 C ATOM 858 O CYS A 53 13.710 2.363 -22.094 1.00 60.20 O ATOM 859 CB CYS A 53 17.045 2.600 -23.291 1.00 63.01 C ATOM 860 SG CYS A 53 17.861 3.240 -24.772 1.00 40.43 S ATOM 0 H CYS A 53 16.820 4.643 -21.709 1.00 21.13 H new ATOM 0 HA CYS A 53 15.158 3.471 -23.839 1.00 25.32 H new ATOM 0 HB2 CYS A 53 17.733 2.675 -22.449 1.00 63.01 H new ATOM 0 HB3 CYS A 53 16.832 1.541 -23.436 1.00 63.01 H new ATOM 0 HG CYS A 53 19.150 3.154 -24.629 1.00 40.43 H new ATOM 866 N ASP A 54 15.610 1.875 -20.992 1.00 15.35 N ATOM 867 CA ASP A 54 14.948 1.036 -20.000 1.00 32.25 C ATOM 868 C ASP A 54 15.963 0.432 -19.035 1.00 22.35 C ATOM 869 O ASP A 54 16.020 0.806 -17.862 1.00 65.23 O ATOM 870 CB ASP A 54 14.156 -0.077 -20.688 1.00 53.33 C ATOM 871 CG ASP A 54 12.657 0.125 -20.577 1.00 3.31 C ATOM 872 OD1 ASP A 54 12.194 0.551 -19.498 1.00 2.11 O ATOM 873 OD2 ASP A 54 11.948 -0.142 -21.569 1.00 52.40 O ATOM 0 H ASP A 54 16.620 1.955 -20.871 1.00 15.35 H new ATOM 0 HA ASP A 54 14.261 1.662 -19.432 1.00 32.25 H new ATOM 0 HB2 ASP A 54 14.437 -0.122 -21.740 1.00 53.33 H new ATOM 0 HB3 ASP A 54 14.424 -1.036 -20.246 1.00 53.33 H new ATOM 878 N LEU A 55 16.762 -0.505 -19.534 1.00 50.33 N ATOM 879 CA LEU A 55 17.775 -1.162 -18.716 1.00 63.23 C ATOM 880 C LEU A 55 18.808 -0.157 -18.216 1.00 71.04 C ATOM 881 O LEU A 55 19.291 -0.257 -17.089 1.00 13.01 O ATOM 882 CB LEU A 55 18.468 -2.266 -19.517 1.00 72.41 C ATOM 883 CG LEU A 55 19.021 -1.859 -20.883 1.00 51.41 C ATOM 884 CD1 LEU A 55 20.402 -2.456 -21.100 1.00 25.35 C ATOM 885 CD2 LEU A 55 18.072 -2.288 -21.993 1.00 22.24 C ATOM 0 H LEU A 55 16.728 -0.827 -20.501 1.00 50.33 H new ATOM 0 HA LEU A 55 17.278 -1.604 -17.853 1.00 63.23 H new ATOM 0 HB2 LEU A 55 19.289 -2.661 -18.918 1.00 72.41 H new ATOM 0 HB3 LEU A 55 17.759 -3.081 -19.663 1.00 72.41 H new ATOM 0 HG LEU A 55 19.110 -0.773 -20.908 1.00 51.41 H new ATOM 0 HD11 LEU A 55 20.779 -2.155 -22.078 1.00 25.35 H new ATOM 0 HD12 LEU A 55 21.079 -2.098 -20.324 1.00 25.35 H new ATOM 0 HD13 LEU A 55 20.340 -3.543 -21.054 1.00 25.35 H new ATOM 0 HD21 LEU A 55 18.482 -1.990 -22.958 1.00 22.24 H new ATOM 0 HD22 LEU A 55 17.950 -3.371 -21.969 1.00 22.24 H new ATOM 0 HD23 LEU A 55 17.103 -1.811 -21.848 1.00 22.24 H new ATOM 897 N ALA A 56 19.140 0.812 -19.062 1.00 42.55 N ATOM 898 CA ALA A 56 20.112 1.838 -18.705 1.00 51.50 C ATOM 899 C ALA A 56 19.528 2.818 -17.693 1.00 4.33 C ATOM 900 O ALA A 56 20.240 3.334 -16.830 1.00 42.54 O ATOM 901 CB ALA A 56 20.580 2.578 -19.949 1.00 40.44 C ATOM 0 H ALA A 56 18.750 0.908 -20.000 1.00 42.55 H new ATOM 0 HA ALA A 56 20.969 1.347 -18.244 1.00 51.50 H new ATOM 0 HB1 ALA A 56 21.305 3.341 -19.667 1.00 40.44 H new ATOM 0 HB2 ALA A 56 21.044 1.873 -20.639 1.00 40.44 H new ATOM 0 HB3 ALA A 56 19.726 3.051 -20.434 1.00 40.44 H new ATOM 907 N THR A 57 18.228 3.072 -17.803 1.00 30.10 N ATOM 908 CA THR A 57 17.549 3.991 -16.899 1.00 2.44 C ATOM 909 C THR A 57 17.304 3.345 -15.540 1.00 0.42 C ATOM 910 O THR A 57 17.580 3.942 -14.500 1.00 0.14 O ATOM 911 CB THR A 57 16.203 4.461 -17.481 1.00 50.14 C ATOM 912 OG1 THR A 57 16.354 4.777 -18.870 1.00 12.52 O ATOM 913 CG2 THR A 57 15.684 5.679 -16.732 1.00 4.20 C ATOM 0 H THR A 57 17.624 2.653 -18.510 1.00 30.10 H new ATOM 0 HA THR A 57 18.204 4.854 -16.776 1.00 2.44 H new ATOM 0 HB THR A 57 15.482 3.652 -17.369 1.00 50.14 H new ATOM 0 HG1 THR A 57 15.476 4.765 -19.305 1.00 12.52 H new ATOM 0 HG21 THR A 57 14.732 5.992 -17.162 1.00 4.20 H new ATOM 0 HG22 THR A 57 15.542 5.427 -15.681 1.00 4.20 H new ATOM 0 HG23 THR A 57 16.405 6.492 -16.816 1.00 4.20 H new ATOM 921 N ALA A 58 16.785 2.122 -15.556 1.00 53.24 N ATOM 922 CA ALA A 58 16.505 1.394 -14.325 1.00 1.31 C ATOM 923 C ALA A 58 17.791 1.090 -13.563 1.00 74.23 C ATOM 924 O ALA A 58 17.870 1.296 -12.353 1.00 13.13 O ATOM 925 CB ALA A 58 15.754 0.107 -14.632 1.00 15.45 C ATOM 0 H ALA A 58 16.550 1.614 -16.409 1.00 53.24 H new ATOM 0 HA ALA A 58 15.879 2.024 -13.693 1.00 1.31 H new ATOM 0 HB1 ALA A 58 15.552 -0.427 -13.703 1.00 15.45 H new ATOM 0 HB2 ALA A 58 14.812 0.344 -15.127 1.00 15.45 H new ATOM 0 HB3 ALA A 58 16.359 -0.520 -15.286 1.00 15.45 H new ATOM 931 N ALA A 59 18.795 0.597 -14.280 1.00 42.24 N ATOM 932 CA ALA A 59 20.078 0.265 -13.672 1.00 14.51 C ATOM 933 C ALA A 59 20.755 1.509 -13.107 1.00 43.31 C ATOM 934 O ALA A 59 21.349 1.469 -12.029 1.00 54.21 O ATOM 935 CB ALA A 59 20.983 -0.416 -14.687 1.00 71.31 C ATOM 0 H ALA A 59 18.745 0.418 -15.283 1.00 42.24 H new ATOM 0 HA ALA A 59 19.894 -0.423 -12.847 1.00 14.51 H new ATOM 0 HB1 ALA A 59 21.937 -0.658 -14.219 1.00 71.31 H new ATOM 0 HB2 ALA A 59 20.509 -1.332 -15.040 1.00 71.31 H new ATOM 0 HB3 ALA A 59 21.152 0.253 -15.531 1.00 71.31 H new ATOM 941 N ASP A 60 20.664 2.612 -13.842 1.00 12.22 N ATOM 942 CA ASP A 60 21.268 3.868 -13.414 1.00 1.54 C ATOM 943 C ASP A 60 20.531 4.443 -12.208 1.00 52.11 C ATOM 944 O ASP A 60 21.149 4.969 -11.283 1.00 23.04 O ATOM 945 CB ASP A 60 21.261 4.880 -14.561 1.00 72.21 C ATOM 946 CG ASP A 60 22.372 4.628 -15.561 1.00 40.43 C ATOM 947 OD1 ASP A 60 22.653 3.447 -15.852 1.00 72.43 O ATOM 948 OD2 ASP A 60 22.960 5.613 -16.054 1.00 3.52 O ATOM 0 H ASP A 60 20.178 2.662 -14.737 1.00 12.22 H new ATOM 0 HA ASP A 60 22.299 3.666 -13.125 1.00 1.54 H new ATOM 0 HB2 ASP A 60 20.299 4.839 -15.072 1.00 72.21 H new ATOM 0 HB3 ASP A 60 21.363 5.886 -14.155 1.00 72.21 H new ATOM 953 N ARG A 61 19.206 4.340 -12.227 1.00 31.33 N ATOM 954 CA ARG A 61 18.384 4.851 -11.136 1.00 43.13 C ATOM 955 C ARG A 61 18.851 4.292 -9.796 1.00 34.55 C ATOM 956 O ARG A 61 18.955 5.021 -8.810 1.00 33.22 O ATOM 957 CB ARG A 61 16.915 4.495 -11.366 1.00 75.34 C ATOM 958 CG ARG A 61 16.015 5.706 -11.548 1.00 2.50 C ATOM 959 CD ARG A 61 16.426 6.529 -12.759 1.00 61.34 C ATOM 960 NE ARG A 61 17.299 7.641 -12.395 1.00 43.23 N ATOM 961 CZ ARG A 61 16.855 8.796 -11.912 1.00 44.21 C ATOM 962 NH1 ARG A 61 15.556 8.989 -11.736 1.00 14.04 N ATOM 963 NH2 ARG A 61 17.713 9.761 -11.604 1.00 14.11 N ATOM 0 H ARG A 61 18.679 3.908 -12.986 1.00 31.33 H new ATOM 0 HA ARG A 61 18.488 5.936 -11.113 1.00 43.13 H new ATOM 0 HB2 ARG A 61 16.838 3.860 -12.249 1.00 75.34 H new ATOM 0 HB3 ARG A 61 16.555 3.910 -10.520 1.00 75.34 H new ATOM 0 HG2 ARG A 61 14.982 5.379 -11.663 1.00 2.50 H new ATOM 0 HG3 ARG A 61 16.055 6.328 -10.654 1.00 2.50 H new ATOM 0 HD2 ARG A 61 16.937 5.887 -13.477 1.00 61.34 H new ATOM 0 HD3 ARG A 61 15.535 6.915 -13.254 1.00 61.34 H new ATOM 0 HE ARG A 61 18.305 7.525 -12.518 1.00 43.23 H new ATOM 0 HH11 ARG A 61 14.894 8.250 -11.972 1.00 14.04 H new ATOM 0 HH12 ARG A 61 15.218 9.877 -11.365 1.00 14.04 H new ATOM 0 HH21 ARG A 61 18.714 9.616 -11.738 1.00 14.11 H new ATOM 0 HH22 ARG A 61 17.372 10.648 -11.233 1.00 14.11 H new ATOM 977 N ALA A 62 19.129 2.992 -9.767 1.00 44.42 N ATOM 978 CA ALA A 62 19.586 2.335 -8.549 1.00 13.54 C ATOM 979 C ALA A 62 21.092 2.492 -8.372 1.00 2.45 C ATOM 980 O ALA A 62 21.569 2.811 -7.283 1.00 33.14 O ATOM 981 CB ALA A 62 19.205 0.862 -8.569 1.00 3.40 C ATOM 0 H ALA A 62 19.045 2.373 -10.574 1.00 44.42 H new ATOM 0 HA ALA A 62 19.096 2.814 -7.702 1.00 13.54 H new ATOM 0 HB1 ALA A 62 19.553 0.384 -7.653 1.00 3.40 H new ATOM 0 HB2 ALA A 62 18.121 0.767 -8.639 1.00 3.40 H new ATOM 0 HB3 ALA A 62 19.668 0.378 -9.429 1.00 3.40 H new ATOM 987 N ALA A 63 21.837 2.266 -9.449 1.00 33.01 N ATOM 988 CA ALA A 63 23.289 2.384 -9.412 1.00 61.32 C ATOM 989 C ALA A 63 23.716 3.740 -8.862 1.00 2.11 C ATOM 990 O ALA A 63 24.798 3.877 -8.290 1.00 40.42 O ATOM 991 CB ALA A 63 23.871 2.168 -10.801 1.00 42.44 C ATOM 0 H ALA A 63 21.459 2.000 -10.358 1.00 33.01 H new ATOM 0 HA ALA A 63 23.675 1.613 -8.744 1.00 61.32 H new ATOM 0 HB1 ALA A 63 24.956 2.259 -10.759 1.00 42.44 H new ATOM 0 HB2 ALA A 63 23.604 1.173 -11.157 1.00 42.44 H new ATOM 0 HB3 ALA A 63 23.470 2.917 -11.484 1.00 42.44 H new ATOM 997 N LYS A 64 22.860 4.741 -9.038 1.00 45.14 N ATOM 998 CA LYS A 64 23.148 6.088 -8.559 1.00 61.23 C ATOM 999 C LYS A 64 23.362 6.094 -7.049 1.00 65.21 C ATOM 1000 O LYS A 64 23.954 7.022 -6.500 1.00 12.40 O ATOM 1001 CB LYS A 64 22.005 7.037 -8.927 1.00 23.04 C ATOM 1002 CG LYS A 64 22.079 7.554 -10.353 1.00 35.11 C ATOM 1003 CD LYS A 64 22.614 8.975 -10.404 1.00 53.12 C ATOM 1004 CE LYS A 64 24.122 8.996 -10.598 1.00 22.03 C ATOM 1005 NZ LYS A 64 24.587 10.277 -11.197 1.00 52.44 N ATOM 0 H LYS A 64 21.960 4.645 -9.509 1.00 45.14 H new ATOM 0 HA LYS A 64 24.065 6.430 -9.039 1.00 61.23 H new ATOM 0 HB2 LYS A 64 21.056 6.521 -8.785 1.00 23.04 H new ATOM 0 HB3 LYS A 64 22.012 7.884 -8.241 1.00 23.04 H new ATOM 0 HG2 LYS A 64 22.721 6.901 -10.945 1.00 35.11 H new ATOM 0 HG3 LYS A 64 21.088 7.521 -10.805 1.00 35.11 H new ATOM 0 HD2 LYS A 64 22.134 9.517 -11.219 1.00 53.12 H new ATOM 0 HD3 LYS A 64 22.358 9.495 -9.481 1.00 53.12 H new ATOM 0 HE2 LYS A 64 24.614 8.845 -9.637 1.00 22.03 H new ATOM 0 HE3 LYS A 64 24.417 8.167 -11.241 1.00 22.03 H new ATOM 0 HZ1 LYS A 64 25.620 10.251 -11.313 1.00 52.44 H new ATOM 0 HZ2 LYS A 64 24.138 10.409 -12.126 1.00 52.44 H new ATOM 0 HZ3 LYS A 64 24.328 11.067 -10.572 1.00 52.44 H new ATOM 1019 N GLY A 65 22.879 5.050 -6.383 1.00 33.32 N ATOM 1020 CA GLY A 65 23.029 4.954 -4.943 1.00 11.44 C ATOM 1021 C GLY A 65 21.700 5.012 -4.216 1.00 11.11 C ATOM 1022 O GLY A 65 21.656 5.227 -3.005 1.00 52.01 O ATOM 0 H GLY A 65 22.386 4.269 -6.815 1.00 33.32 H new ATOM 0 HA2 GLY A 65 23.535 4.021 -4.695 1.00 11.44 H new ATOM 0 HA3 GLY A 65 23.667 5.765 -4.592 1.00 11.44 H new ATOM 1026 N ALA A 66 20.613 4.822 -4.957 1.00 63.50 N ATOM 1027 CA ALA A 66 19.277 4.853 -4.376 1.00 30.33 C ATOM 1028 C ALA A 66 19.084 6.092 -3.509 1.00 3.24 C ATOM 1029 O ALA A 66 18.947 5.993 -2.289 1.00 4.30 O ATOM 1030 CB ALA A 66 19.026 3.592 -3.561 1.00 43.22 C ATOM 0 H ALA A 66 20.632 4.645 -5.961 1.00 63.50 H new ATOM 0 HA ALA A 66 18.554 4.896 -5.191 1.00 30.33 H new ATOM 0 HB1 ALA A 66 18.024 3.629 -3.133 1.00 43.22 H new ATOM 0 HB2 ALA A 66 19.113 2.718 -4.207 1.00 43.22 H new ATOM 0 HB3 ALA A 66 19.761 3.525 -2.759 1.00 43.22 H new ATOM 1036 N TYR A 67 19.075 7.258 -4.145 1.00 64.01 N ATOM 1037 CA TYR A 67 18.903 8.517 -3.431 1.00 13.40 C ATOM 1038 C TYR A 67 17.702 8.451 -2.492 1.00 41.00 C ATOM 1039 O TYR A 67 17.693 9.076 -1.432 1.00 53.15 O ATOM 1040 CB TYR A 67 18.726 9.670 -4.422 1.00 25.45 C ATOM 1041 CG TYR A 67 19.851 10.680 -4.381 1.00 73.25 C ATOM 1042 CD1 TYR A 67 21.076 10.408 -4.977 1.00 43.33 C ATOM 1043 CD2 TYR A 67 19.688 11.905 -3.747 1.00 51.22 C ATOM 1044 CE1 TYR A 67 22.107 11.328 -4.943 1.00 33.13 C ATOM 1045 CE2 TYR A 67 20.712 12.831 -3.709 1.00 1.30 C ATOM 1046 CZ TYR A 67 21.920 12.538 -4.308 1.00 14.12 C ATOM 1047 OH TYR A 67 22.943 13.457 -4.271 1.00 12.43 O ATOM 0 H TYR A 67 19.185 7.357 -5.154 1.00 64.01 H new ATOM 0 HA TYR A 67 19.799 8.692 -2.835 1.00 13.40 H new ATOM 0 HB2 TYR A 67 18.650 9.263 -5.430 1.00 25.45 H new ATOM 0 HB3 TYR A 67 17.785 10.178 -4.212 1.00 25.45 H new ATOM 0 HD1 TYR A 67 21.225 9.462 -5.475 1.00 43.33 H new ATOM 0 HD2 TYR A 67 18.744 12.137 -3.276 1.00 51.22 H new ATOM 0 HE1 TYR A 67 23.053 11.101 -5.411 1.00 33.13 H new ATOM 0 HE2 TYR A 67 20.568 13.780 -3.213 1.00 1.30 H new ATOM 0 HH TYR A 67 22.647 14.256 -3.787 1.00 12.43 H new ATOM 1057 N GLY A 68 16.689 7.687 -2.890 1.00 23.21 N ATOM 1058 CA GLY A 68 15.497 7.551 -2.074 1.00 1.14 C ATOM 1059 C GLY A 68 14.609 8.778 -2.136 1.00 72.33 C ATOM 1060 O GLY A 68 14.605 9.499 -3.134 1.00 14.41 O ATOM 0 H GLY A 68 16.673 7.160 -3.763 1.00 23.21 H new ATOM 0 HA2 GLY A 68 14.931 6.680 -2.405 1.00 1.14 H new ATOM 0 HA3 GLY A 68 15.788 7.368 -1.039 1.00 1.14 H new ATOM 1064 N TYR A 69 13.853 9.014 -1.070 1.00 1.02 N ATOM 1065 CA TYR A 69 12.953 10.160 -1.009 1.00 62.43 C ATOM 1066 C TYR A 69 11.954 10.129 -2.161 1.00 74.44 C ATOM 1067 O TYR A 69 12.217 10.659 -3.241 1.00 70.40 O ATOM 1068 CB TYR A 69 13.751 11.464 -1.047 1.00 1.14 C ATOM 1069 CG TYR A 69 13.024 12.636 -0.427 1.00 42.43 C ATOM 1070 CD1 TYR A 69 12.486 12.548 0.851 1.00 53.44 C ATOM 1071 CD2 TYR A 69 12.875 13.831 -1.120 1.00 41.40 C ATOM 1072 CE1 TYR A 69 11.820 13.617 1.420 1.00 21.44 C ATOM 1073 CE2 TYR A 69 12.212 14.905 -0.558 1.00 4.24 C ATOM 1074 CZ TYR A 69 11.687 14.793 0.713 1.00 74.24 C ATOM 1075 OH TYR A 69 11.025 15.860 1.276 1.00 74.33 O ATOM 0 H TYR A 69 13.845 8.427 -0.236 1.00 1.02 H new ATOM 0 HA TYR A 69 12.401 10.107 -0.071 1.00 62.43 H new ATOM 0 HB2 TYR A 69 14.697 11.317 -0.526 1.00 1.14 H new ATOM 0 HB3 TYR A 69 13.992 11.703 -2.083 1.00 1.14 H new ATOM 0 HD1 TYR A 69 12.590 11.629 1.409 1.00 53.44 H new ATOM 0 HD2 TYR A 69 13.285 13.922 -2.115 1.00 41.40 H new ATOM 0 HE1 TYR A 69 11.406 13.531 2.414 1.00 21.44 H new ATOM 0 HE2 TYR A 69 12.105 15.827 -1.110 1.00 4.24 H new ATOM 0 HH TYR A 69 11.021 16.611 0.647 1.00 74.33 H new ATOM 1085 N ASP A 70 10.805 9.505 -1.923 1.00 24.51 N ATOM 1086 CA ASP A 70 9.764 9.405 -2.939 1.00 30.21 C ATOM 1087 C ASP A 70 8.379 9.405 -2.299 1.00 61.02 C ATOM 1088 O ASP A 70 8.048 8.521 -1.509 1.00 65.42 O ATOM 1089 CB ASP A 70 9.954 8.136 -3.772 1.00 44.52 C ATOM 1090 CG ASP A 70 9.848 8.401 -5.261 1.00 72.42 C ATOM 1091 OD1 ASP A 70 9.023 9.252 -5.656 1.00 4.04 O ATOM 1092 OD2 ASP A 70 10.589 7.757 -6.032 1.00 63.51 O ATOM 0 H ASP A 70 10.571 9.061 -1.035 1.00 24.51 H new ATOM 0 HA ASP A 70 9.844 10.274 -3.592 1.00 30.21 H new ATOM 0 HB2 ASP A 70 10.929 7.702 -3.551 1.00 44.52 H new ATOM 0 HB3 ASP A 70 9.205 7.399 -3.483 1.00 44.52 H new ATOM 1097 N VAL A 71 7.573 10.404 -2.645 1.00 61.22 N ATOM 1098 CA VAL A 71 6.224 10.520 -2.105 1.00 73.51 C ATOM 1099 C VAL A 71 5.381 9.301 -2.466 1.00 40.40 C ATOM 1100 O VAL A 71 4.427 8.966 -1.765 1.00 75.15 O ATOM 1101 CB VAL A 71 5.520 11.788 -2.621 1.00 55.51 C ATOM 1102 CG1 VAL A 71 5.321 11.714 -4.127 1.00 45.44 C ATOM 1103 CG2 VAL A 71 4.190 11.986 -1.909 1.00 53.13 C ATOM 0 H VAL A 71 7.831 11.145 -3.297 1.00 61.22 H new ATOM 0 HA VAL A 71 6.321 10.583 -1.021 1.00 73.51 H new ATOM 0 HB VAL A 71 6.154 12.648 -2.404 1.00 55.51 H new ATOM 0 HG11 VAL A 71 4.822 12.619 -4.473 1.00 45.44 H new ATOM 0 HG12 VAL A 71 6.290 11.624 -4.618 1.00 45.44 H new ATOM 0 HG13 VAL A 71 4.708 10.846 -4.371 1.00 45.44 H new ATOM 0 HG21 VAL A 71 3.706 12.887 -2.286 1.00 53.13 H new ATOM 0 HG22 VAL A 71 3.547 11.125 -2.092 1.00 53.13 H new ATOM 0 HG23 VAL A 71 4.363 12.088 -0.838 1.00 53.13 H new ATOM 1113 N GLN A 72 5.741 8.643 -3.563 1.00 44.52 N ATOM 1114 CA GLN A 72 5.017 7.462 -4.017 1.00 65.11 C ATOM 1115 C GLN A 72 5.709 6.829 -5.220 1.00 21.52 C ATOM 1116 O GLN A 72 5.062 6.474 -6.206 1.00 52.42 O ATOM 1117 CB GLN A 72 3.576 7.828 -4.377 1.00 24.42 C ATOM 1118 CG GLN A 72 2.622 6.645 -4.344 1.00 21.25 C ATOM 1119 CD GLN A 72 2.664 5.898 -3.025 1.00 0.01 C ATOM 1120 OE1 GLN A 72 2.705 4.668 -2.996 1.00 63.31 O ATOM 1121 NE2 GLN A 72 2.654 6.640 -1.924 1.00 32.24 N ATOM 0 H GLN A 72 6.529 8.908 -4.154 1.00 44.52 H new ATOM 0 HA GLN A 72 5.008 6.737 -3.203 1.00 65.11 H new ATOM 0 HB2 GLN A 72 3.220 8.591 -3.685 1.00 24.42 H new ATOM 0 HB3 GLN A 72 3.560 8.269 -5.373 1.00 24.42 H new ATOM 0 HG2 GLN A 72 1.606 6.997 -4.526 1.00 21.25 H new ATOM 0 HG3 GLN A 72 2.871 5.959 -5.154 1.00 21.25 H new ATOM 0 HE21 GLN A 72 2.620 7.657 -1.995 1.00 32.24 H new ATOM 0 HE22 GLN A 72 2.681 6.193 -1.008 1.00 32.24 H new ATOM 1130 N LEU A 73 7.027 6.689 -5.132 1.00 62.20 N ATOM 1131 CA LEU A 73 7.808 6.098 -6.214 1.00 33.14 C ATOM 1132 C LEU A 73 7.492 6.773 -7.545 1.00 32.44 C ATOM 1133 O LEU A 73 7.419 6.117 -8.584 1.00 64.25 O ATOM 1134 CB LEU A 73 7.527 4.597 -6.310 1.00 44.24 C ATOM 1135 CG LEU A 73 7.835 3.775 -5.059 1.00 23.14 C ATOM 1136 CD1 LEU A 73 9.151 4.219 -4.439 1.00 23.52 C ATOM 1137 CD2 LEU A 73 6.702 3.894 -4.050 1.00 71.22 C ATOM 0 H LEU A 73 7.578 6.976 -4.323 1.00 62.20 H new ATOM 0 HA LEU A 73 8.864 6.250 -5.993 1.00 33.14 H new ATOM 0 HB2 LEU A 73 6.475 4.460 -6.560 1.00 44.24 H new ATOM 0 HB3 LEU A 73 8.107 4.191 -7.139 1.00 44.24 H new ATOM 0 HG LEU A 73 7.928 2.729 -5.350 1.00 23.14 H new ATOM 0 HD11 LEU A 73 9.354 3.623 -3.549 1.00 23.52 H new ATOM 0 HD12 LEU A 73 9.957 4.082 -5.159 1.00 23.52 H new ATOM 0 HD13 LEU A 73 9.086 5.272 -4.163 1.00 23.52 H new ATOM 0 HD21 LEU A 73 6.939 3.302 -3.166 1.00 71.22 H new ATOM 0 HD22 LEU A 73 6.577 4.939 -3.765 1.00 71.22 H new ATOM 0 HD23 LEU A 73 5.778 3.527 -4.496 1.00 71.22 H new ATOM 1149 N THR A 74 7.306 8.089 -7.506 1.00 23.40 N ATOM 1150 CA THR A 74 6.999 8.853 -8.708 1.00 64.24 C ATOM 1151 C THR A 74 8.220 8.967 -9.614 1.00 24.02 C ATOM 1152 O THR A 74 8.096 9.204 -10.816 1.00 14.11 O ATOM 1153 CB THR A 74 6.497 10.267 -8.362 1.00 42.21 C ATOM 1154 OG1 THR A 74 5.379 10.186 -7.471 1.00 62.40 O ATOM 1155 CG2 THR A 74 6.095 11.022 -9.620 1.00 62.24 C ATOM 0 H THR A 74 7.363 8.647 -6.654 1.00 23.40 H new ATOM 0 HA THR A 74 6.210 8.314 -9.232 1.00 64.24 H new ATOM 0 HB THR A 74 7.310 10.808 -7.877 1.00 42.21 H new ATOM 0 HG1 THR A 74 5.067 11.089 -7.255 1.00 62.40 H new ATOM 0 HG21 THR A 74 5.744 12.018 -9.350 1.00 62.24 H new ATOM 0 HG22 THR A 74 6.956 11.108 -10.283 1.00 62.24 H new ATOM 0 HG23 THR A 74 5.297 10.482 -10.129 1.00 62.24 H new ATOM 1163 N THR A 75 9.403 8.796 -9.030 1.00 54.10 N ATOM 1164 CA THR A 75 10.647 8.880 -9.784 1.00 52.42 C ATOM 1165 C THR A 75 10.732 7.775 -10.830 1.00 73.22 C ATOM 1166 O THR A 75 11.017 8.033 -12.000 1.00 43.52 O ATOM 1167 CB THR A 75 11.873 8.789 -8.857 1.00 2.23 C ATOM 1168 OG1 THR A 75 11.929 7.496 -8.244 1.00 42.12 O ATOM 1169 CG2 THR A 75 11.819 9.864 -7.781 1.00 63.41 C ATOM 0 H THR A 75 9.525 8.598 -8.037 1.00 54.10 H new ATOM 0 HA THR A 75 10.649 9.849 -10.283 1.00 52.42 H new ATOM 0 HB THR A 75 12.768 8.944 -9.459 1.00 2.23 H new ATOM 0 HG1 THR A 75 11.784 7.585 -7.279 1.00 42.12 H new ATOM 0 HG21 THR A 75 12.695 9.780 -7.138 1.00 63.41 H new ATOM 0 HG22 THR A 75 11.806 10.848 -8.250 1.00 63.41 H new ATOM 0 HG23 THR A 75 10.917 9.735 -7.183 1.00 63.41 H new ATOM 1177 N LEU A 76 10.481 6.542 -10.403 1.00 5.21 N ATOM 1178 CA LEU A 76 10.529 5.396 -11.304 1.00 32.32 C ATOM 1179 C LEU A 76 9.314 5.377 -12.226 1.00 11.22 C ATOM 1180 O LEU A 76 9.419 5.033 -13.403 1.00 63.31 O ATOM 1181 CB LEU A 76 10.595 4.095 -10.502 1.00 71.41 C ATOM 1182 CG LEU A 76 11.662 3.090 -10.939 1.00 51.42 C ATOM 1183 CD1 LEU A 76 12.893 3.200 -10.053 1.00 42.33 C ATOM 1184 CD2 LEU A 76 11.106 1.674 -10.909 1.00 53.22 C ATOM 0 H LEU A 76 10.242 6.311 -9.439 1.00 5.21 H new ATOM 0 HA LEU A 76 11.426 5.484 -11.917 1.00 32.32 H new ATOM 0 HB2 LEU A 76 10.767 4.345 -9.455 1.00 71.41 H new ATOM 0 HB3 LEU A 76 9.621 3.608 -10.557 1.00 71.41 H new ATOM 0 HG LEU A 76 11.954 3.322 -11.963 1.00 51.42 H new ATOM 0 HD11 LEU A 76 13.641 2.478 -10.379 1.00 42.33 H new ATOM 0 HD12 LEU A 76 13.305 4.207 -10.125 1.00 42.33 H new ATOM 0 HD13 LEU A 76 12.616 2.995 -9.019 1.00 42.33 H new ATOM 0 HD21 LEU A 76 11.879 0.973 -11.223 1.00 53.22 H new ATOM 0 HD22 LEU A 76 10.785 1.431 -9.896 1.00 53.22 H new ATOM 0 HD23 LEU A 76 10.255 1.603 -11.586 1.00 53.22 H new ATOM 1196 N LYS A 77 8.160 5.752 -11.683 1.00 63.14 N ATOM 1197 CA LYS A 77 6.925 5.782 -12.457 1.00 13.31 C ATOM 1198 C LYS A 77 6.995 6.840 -13.554 1.00 1.14 C ATOM 1199 O LYS A 77 6.538 6.616 -14.674 1.00 4.20 O ATOM 1200 CB LYS A 77 5.732 6.062 -11.540 1.00 74.41 C ATOM 1201 CG LYS A 77 4.659 4.988 -11.594 1.00 33.22 C ATOM 1202 CD LYS A 77 5.153 3.676 -11.006 1.00 55.34 C ATOM 1203 CE LYS A 77 5.341 3.776 -9.500 1.00 74.13 C ATOM 1204 NZ LYS A 77 6.690 3.309 -9.078 1.00 1.22 N ATOM 0 H LYS A 77 8.055 6.039 -10.710 1.00 63.14 H new ATOM 0 HA LYS A 77 6.796 4.806 -12.926 1.00 13.31 H new ATOM 0 HB2 LYS A 77 6.087 6.158 -10.514 1.00 74.41 H new ATOM 0 HB3 LYS A 77 5.290 7.020 -11.815 1.00 74.41 H new ATOM 0 HG2 LYS A 77 3.778 5.324 -11.047 1.00 33.22 H new ATOM 0 HG3 LYS A 77 4.351 4.831 -12.628 1.00 33.22 H new ATOM 0 HD2 LYS A 77 4.440 2.883 -11.233 1.00 55.34 H new ATOM 0 HD3 LYS A 77 6.098 3.399 -11.474 1.00 55.34 H new ATOM 0 HE2 LYS A 77 5.199 4.810 -9.184 1.00 74.13 H new ATOM 0 HE3 LYS A 77 4.577 3.182 -8.998 1.00 74.13 H new ATOM 0 HZ1 LYS A 77 6.632 2.896 -8.125 1.00 1.22 H new ATOM 0 HZ2 LYS A 77 7.033 2.590 -9.747 1.00 1.22 H new ATOM 0 HZ3 LYS A 77 7.348 4.114 -9.067 1.00 1.22 H new ATOM 1218 N GLU A 78 7.571 7.992 -13.223 1.00 24.41 N ATOM 1219 CA GLU A 78 7.702 9.083 -14.181 1.00 75.12 C ATOM 1220 C GLU A 78 8.727 8.741 -15.259 1.00 15.21 C ATOM 1221 O GLU A 78 8.635 9.217 -16.391 1.00 4.34 O ATOM 1222 CB GLU A 78 8.108 10.373 -13.466 1.00 53.33 C ATOM 1223 CG GLU A 78 8.093 11.598 -14.366 1.00 33.13 C ATOM 1224 CD GLU A 78 9.320 12.470 -14.184 1.00 71.03 C ATOM 1225 OE1 GLU A 78 9.915 12.436 -13.087 1.00 44.54 O ATOM 1226 OE2 GLU A 78 9.685 13.186 -15.141 1.00 33.15 O ATOM 0 H GLU A 78 7.954 8.193 -12.299 1.00 24.41 H new ATOM 0 HA GLU A 78 6.734 9.231 -14.659 1.00 75.12 H new ATOM 0 HB2 GLU A 78 7.433 10.541 -12.626 1.00 53.33 H new ATOM 0 HB3 GLU A 78 9.108 10.249 -13.051 1.00 53.33 H new ATOM 0 HG2 GLU A 78 8.029 11.279 -15.406 1.00 33.13 H new ATOM 0 HG3 GLU A 78 7.199 12.186 -14.158 1.00 33.13 H new ATOM 1233 N ASP A 79 9.701 7.914 -14.898 1.00 45.14 N ATOM 1234 CA ASP A 79 10.744 7.508 -15.834 1.00 21.45 C ATOM 1235 C ASP A 79 10.178 6.590 -16.913 1.00 43.21 C ATOM 1236 O ASP A 79 10.417 6.796 -18.103 1.00 72.25 O ATOM 1237 CB ASP A 79 11.879 6.801 -15.090 1.00 12.31 C ATOM 1238 CG ASP A 79 13.177 7.583 -15.137 1.00 13.52 C ATOM 1239 OD1 ASP A 79 13.698 7.803 -16.251 1.00 33.15 O ATOM 1240 OD2 ASP A 79 13.671 7.977 -14.060 1.00 31.02 O ATOM 0 H ASP A 79 9.791 7.511 -13.965 1.00 45.14 H new ATOM 0 HA ASP A 79 11.137 8.404 -16.314 1.00 21.45 H new ATOM 0 HB2 ASP A 79 11.588 6.647 -14.051 1.00 12.31 H new ATOM 0 HB3 ASP A 79 12.036 5.815 -15.526 1.00 12.31 H new ATOM 1245 N ILE A 80 9.429 5.578 -16.489 1.00 63.10 N ATOM 1246 CA ILE A 80 8.830 4.629 -17.420 1.00 1.44 C ATOM 1247 C ILE A 80 7.966 5.344 -18.453 1.00 11.32 C ATOM 1248 O ILE A 80 8.090 5.104 -19.654 1.00 33.12 O ATOM 1249 CB ILE A 80 7.971 3.584 -16.683 1.00 43.42 C ATOM 1250 CG1 ILE A 80 8.847 2.434 -16.183 1.00 20.14 C ATOM 1251 CG2 ILE A 80 6.873 3.062 -17.597 1.00 40.24 C ATOM 1252 CD1 ILE A 80 9.470 1.620 -17.295 1.00 51.23 C ATOM 0 H ILE A 80 9.222 5.394 -15.507 1.00 63.10 H new ATOM 0 HA ILE A 80 9.651 4.121 -17.926 1.00 1.44 H new ATOM 0 HB ILE A 80 7.503 4.061 -15.822 1.00 43.42 H new ATOM 0 HG12 ILE A 80 9.639 2.839 -15.553 1.00 20.14 H new ATOM 0 HG13 ILE A 80 8.245 1.776 -15.556 1.00 20.14 H new ATOM 0 HG21 ILE A 80 6.274 2.325 -17.062 1.00 40.24 H new ATOM 0 HG22 ILE A 80 6.236 3.889 -17.909 1.00 40.24 H new ATOM 0 HG23 ILE A 80 7.321 2.598 -18.475 1.00 40.24 H new ATOM 0 HD11 ILE A 80 10.077 0.823 -16.866 1.00 51.23 H new ATOM 0 HD12 ILE A 80 8.684 1.185 -17.912 1.00 51.23 H new ATOM 0 HD13 ILE A 80 10.099 2.264 -17.909 1.00 51.23 H new ATOM 1264 N ARG A 81 7.092 6.225 -17.977 1.00 52.43 N ATOM 1265 CA ARG A 81 6.207 6.976 -18.860 1.00 1.42 C ATOM 1266 C ARG A 81 7.007 7.904 -19.770 1.00 73.23 C ATOM 1267 O ARG A 81 6.615 8.163 -20.909 1.00 71.30 O ATOM 1268 CB ARG A 81 5.204 7.790 -18.040 1.00 21.34 C ATOM 1269 CG ARG A 81 5.856 8.762 -17.070 1.00 42.25 C ATOM 1270 CD ARG A 81 4.820 9.616 -16.356 1.00 20.41 C ATOM 1271 NE ARG A 81 3.881 10.233 -17.289 1.00 63.42 N ATOM 1272 CZ ARG A 81 2.744 10.809 -16.915 1.00 24.31 C ATOM 1273 NH1 ARG A 81 2.407 10.847 -15.633 1.00 63.22 N ATOM 1274 NH2 ARG A 81 1.942 11.349 -17.824 1.00 23.34 N ATOM 0 H ARG A 81 6.978 6.436 -16.986 1.00 52.43 H new ATOM 0 HA ARG A 81 5.665 6.263 -19.482 1.00 1.42 H new ATOM 0 HB2 ARG A 81 4.559 8.346 -18.720 1.00 21.34 H new ATOM 0 HB3 ARG A 81 4.565 7.106 -17.481 1.00 21.34 H new ATOM 0 HG2 ARG A 81 6.441 8.208 -16.336 1.00 42.25 H new ATOM 0 HG3 ARG A 81 6.550 9.406 -17.610 1.00 42.25 H new ATOM 0 HD2 ARG A 81 4.271 9.000 -15.644 1.00 20.41 H new ATOM 0 HD3 ARG A 81 5.324 10.394 -15.782 1.00 20.41 H new ATOM 0 HE ARG A 81 4.111 10.221 -18.283 1.00 63.42 H new ATOM 0 HH11 ARG A 81 3.021 10.433 -14.932 1.00 63.22 H new ATOM 0 HH12 ARG A 81 1.533 11.290 -15.348 1.00 63.22 H new ATOM 0 HH21 ARG A 81 2.198 11.322 -18.811 1.00 23.34 H new ATOM 0 HH22 ARG A 81 1.069 11.791 -17.536 1.00 23.34 H new ATOM 1288 N LEU A 82 8.128 8.401 -19.261 1.00 42.42 N ATOM 1289 CA LEU A 82 8.983 9.301 -20.028 1.00 24.21 C ATOM 1290 C LEU A 82 9.693 8.552 -21.151 1.00 73.25 C ATOM 1291 O LEU A 82 9.791 9.045 -22.274 1.00 55.45 O ATOM 1292 CB LEU A 82 10.014 9.962 -19.111 1.00 14.13 C ATOM 1293 CG LEU A 82 10.767 11.156 -19.698 1.00 52.12 C ATOM 1294 CD1 LEU A 82 11.800 10.689 -20.712 1.00 10.22 C ATOM 1295 CD2 LEU A 82 9.795 12.137 -20.338 1.00 3.44 C ATOM 0 H LEU A 82 8.467 8.197 -18.321 1.00 42.42 H new ATOM 0 HA LEU A 82 8.352 10.071 -20.471 1.00 24.21 H new ATOM 0 HB2 LEU A 82 9.507 10.289 -18.203 1.00 14.13 H new ATOM 0 HB3 LEU A 82 10.743 9.208 -18.815 1.00 14.13 H new ATOM 0 HG LEU A 82 11.288 11.667 -18.888 1.00 52.12 H new ATOM 0 HD11 LEU A 82 12.326 11.552 -21.119 1.00 10.22 H new ATOM 0 HD12 LEU A 82 12.514 10.026 -20.225 1.00 10.22 H new ATOM 0 HD13 LEU A 82 11.301 10.154 -21.520 1.00 10.22 H new ATOM 0 HD21 LEU A 82 10.348 12.981 -20.751 1.00 3.44 H new ATOM 0 HD22 LEU A 82 9.247 11.637 -21.137 1.00 3.44 H new ATOM 0 HD23 LEU A 82 9.093 12.497 -19.586 1.00 3.44 H new ATOM 1307 N MET A 83 10.184 7.357 -20.841 1.00 31.41 N ATOM 1308 CA MET A 83 10.881 6.538 -21.826 1.00 60.10 C ATOM 1309 C MET A 83 9.923 6.060 -22.912 1.00 55.33 C ATOM 1310 O MET A 83 10.169 6.258 -24.102 1.00 54.41 O ATOM 1311 CB MET A 83 11.540 5.336 -21.147 1.00 24.11 C ATOM 1312 CG MET A 83 12.644 5.718 -20.174 1.00 65.33 C ATOM 1313 SD MET A 83 13.333 4.292 -19.311 1.00 41.31 S ATOM 1314 CE MET A 83 12.596 4.489 -17.691 1.00 34.12 C ATOM 0 H MET A 83 10.112 6.934 -19.916 1.00 31.41 H new ATOM 0 HA MET A 83 11.652 7.152 -22.291 1.00 60.10 H new ATOM 0 HB2 MET A 83 10.778 4.767 -20.614 1.00 24.11 H new ATOM 0 HB3 MET A 83 11.952 4.678 -21.912 1.00 24.11 H new ATOM 0 HG2 MET A 83 13.440 6.229 -20.716 1.00 65.33 H new ATOM 0 HG3 MET A 83 12.251 6.425 -19.443 1.00 65.33 H new ATOM 0 HE1 MET A 83 13.183 3.940 -16.955 1.00 34.12 H new ATOM 0 HE2 MET A 83 12.578 5.546 -17.426 1.00 34.12 H new ATOM 0 HE3 MET A 83 11.577 4.101 -17.705 1.00 34.12 H new ATOM 1324 N VAL A 84 8.829 5.430 -22.495 1.00 61.12 N ATOM 1325 CA VAL A 84 7.833 4.925 -23.433 1.00 22.23 C ATOM 1326 C VAL A 84 7.376 6.019 -24.391 1.00 34.13 C ATOM 1327 O VAL A 84 7.058 5.751 -25.548 1.00 74.04 O ATOM 1328 CB VAL A 84 6.606 4.356 -22.696 1.00 11.52 C ATOM 1329 CG1 VAL A 84 5.896 5.453 -21.917 1.00 32.04 C ATOM 1330 CG2 VAL A 84 5.656 3.689 -23.679 1.00 43.32 C ATOM 0 H VAL A 84 8.610 5.257 -21.514 1.00 61.12 H new ATOM 0 HA VAL A 84 8.309 4.125 -24.001 1.00 22.23 H new ATOM 0 HB VAL A 84 6.947 3.602 -21.987 1.00 11.52 H new ATOM 0 HG11 VAL A 84 5.032 5.033 -21.403 1.00 32.04 H new ATOM 0 HG12 VAL A 84 6.581 5.881 -21.185 1.00 32.04 H new ATOM 0 HG13 VAL A 84 5.566 6.232 -22.604 1.00 32.04 H new ATOM 0 HG21 VAL A 84 4.795 3.293 -23.141 1.00 43.32 H new ATOM 0 HG22 VAL A 84 5.320 4.421 -24.413 1.00 43.32 H new ATOM 0 HG23 VAL A 84 6.172 2.875 -24.188 1.00 43.32 H new ATOM 1340 N ASN A 85 7.345 7.253 -23.899 1.00 43.42 N ATOM 1341 CA ASN A 85 6.926 8.390 -24.712 1.00 63.50 C ATOM 1342 C ASN A 85 7.905 8.629 -25.857 1.00 42.54 C ATOM 1343 O ASN A 85 7.502 8.785 -27.009 1.00 62.43 O ATOM 1344 CB ASN A 85 6.816 9.648 -23.849 1.00 31.24 C ATOM 1345 CG ASN A 85 5.414 9.859 -23.311 1.00 33.21 C ATOM 1346 OD1 ASN A 85 4.427 9.634 -24.012 1.00 64.25 O ATOM 1347 ND2 ASN A 85 5.319 10.293 -22.060 1.00 2.54 N ATOM 0 H ASN A 85 7.605 7.492 -22.942 1.00 43.42 H new ATOM 0 HA ASN A 85 5.948 8.162 -25.135 1.00 63.50 H new ATOM 0 HB2 ASN A 85 7.515 9.576 -23.016 1.00 31.24 H new ATOM 0 HB3 ASN A 85 7.111 10.516 -24.438 1.00 31.24 H new ATOM 0 HD21 ASN A 85 4.402 10.453 -21.644 1.00 2.54 H new ATOM 0 HD22 ASN A 85 6.163 10.467 -21.515 1.00 2.54 H new ATOM 1354 N ASN A 86 9.193 8.658 -25.531 1.00 64.24 N ATOM 1355 CA ASN A 86 10.230 8.879 -26.533 1.00 24.32 C ATOM 1356 C ASN A 86 10.464 7.619 -27.361 1.00 55.15 C ATOM 1357 O ASN A 86 11.025 7.679 -28.456 1.00 73.02 O ATOM 1358 CB ASN A 86 11.535 9.308 -25.859 1.00 44.54 C ATOM 1359 CG ASN A 86 12.227 10.433 -26.605 1.00 4.42 C ATOM 1360 OD1 ASN A 86 11.641 11.490 -26.840 1.00 1.13 O ATOM 1361 ND2 ASN A 86 13.481 10.210 -26.981 1.00 3.32 N ATOM 0 H ASN A 86 9.544 8.531 -24.582 1.00 64.24 H new ATOM 0 HA ASN A 86 9.893 9.673 -27.199 1.00 24.32 H new ATOM 0 HB2 ASN A 86 11.326 9.627 -24.838 1.00 44.54 H new ATOM 0 HB3 ASN A 86 12.206 8.452 -25.794 1.00 44.54 H new ATOM 0 HD21 ASN A 86 13.998 10.930 -27.486 1.00 3.32 H new ATOM 0 HD22 ASN A 86 13.927 9.319 -26.765 1.00 3.32 H new ATOM 1368 N CYS A 87 10.029 6.481 -26.832 1.00 73.15 N ATOM 1369 CA CYS A 87 10.190 5.206 -27.523 1.00 11.11 C ATOM 1370 C CYS A 87 9.397 5.189 -28.825 1.00 54.24 C ATOM 1371 O CYS A 87 9.972 5.158 -29.914 1.00 0.34 O ATOM 1372 CB CYS A 87 9.740 4.054 -26.623 1.00 3.54 C ATOM 1373 SG CYS A 87 10.491 2.461 -27.032 1.00 54.21 S ATOM 0 H CYS A 87 9.562 6.415 -25.927 1.00 73.15 H new ATOM 0 HA CYS A 87 11.246 5.081 -27.761 1.00 11.11 H new ATOM 0 HB2 CYS A 87 9.978 4.301 -25.588 1.00 3.54 H new ATOM 0 HB3 CYS A 87 8.656 3.960 -26.687 1.00 3.54 H new ATOM 0 HG CYS A 87 10.050 1.551 -26.215 1.00 54.21 H new ATOM 1379 N ILE A 88 8.073 5.208 -28.706 1.00 64.23 N ATOM 1380 CA ILE A 88 7.202 5.194 -29.874 1.00 75.04 C ATOM 1381 C ILE A 88 7.348 6.477 -30.685 1.00 42.11 C ATOM 1382 O ILE A 88 7.177 6.477 -31.905 1.00 24.20 O ATOM 1383 CB ILE A 88 5.725 5.020 -29.473 1.00 30.23 C ATOM 1384 CG1 ILE A 88 5.249 6.227 -28.662 1.00 34.32 C ATOM 1385 CG2 ILE A 88 5.540 3.735 -28.679 1.00 10.10 C ATOM 1386 CD1 ILE A 88 4.592 7.299 -29.503 1.00 61.10 C ATOM 0 H ILE A 88 7.581 5.233 -27.813 1.00 64.23 H new ATOM 0 HA ILE A 88 7.508 4.344 -30.484 1.00 75.04 H new ATOM 0 HB ILE A 88 5.123 4.954 -30.379 1.00 30.23 H new ATOM 0 HG12 ILE A 88 4.544 5.889 -27.903 1.00 34.32 H new ATOM 0 HG13 ILE A 88 6.100 6.660 -28.136 1.00 34.32 H new ATOM 0 HG21 ILE A 88 4.491 3.626 -28.403 1.00 10.10 H new ATOM 0 HG22 ILE A 88 5.845 2.884 -29.288 1.00 10.10 H new ATOM 0 HG23 ILE A 88 6.151 3.774 -27.777 1.00 10.10 H new ATOM 0 HD11 ILE A 88 4.280 8.124 -28.862 1.00 61.10 H new ATOM 0 HD12 ILE A 88 5.301 7.665 -30.245 1.00 61.10 H new ATOM 0 HD13 ILE A 88 3.721 6.882 -30.008 1.00 61.10 H new ATOM 1398 N LEU A 89 7.668 7.570 -30.000 1.00 75.33 N ATOM 1399 CA LEU A 89 7.840 8.861 -30.657 1.00 12.13 C ATOM 1400 C LEU A 89 9.093 8.867 -31.527 1.00 34.23 C ATOM 1401 O LEU A 89 9.019 9.073 -32.738 1.00 71.13 O ATOM 1402 CB LEU A 89 7.924 9.978 -29.615 1.00 35.23 C ATOM 1403 CG LEU A 89 8.221 11.378 -30.153 1.00 60.45 C ATOM 1404 CD1 LEU A 89 7.360 12.415 -29.449 1.00 61.22 C ATOM 1405 CD2 LEU A 89 9.697 11.709 -29.992 1.00 25.41 C ATOM 0 H LEU A 89 7.813 7.588 -28.991 1.00 75.33 H new ATOM 0 HA LEU A 89 6.975 9.033 -31.297 1.00 12.13 H new ATOM 0 HB2 LEU A 89 6.980 10.012 -29.072 1.00 35.23 H new ATOM 0 HB3 LEU A 89 8.698 9.716 -28.893 1.00 35.23 H new ATOM 0 HG LEU A 89 7.979 11.397 -31.216 1.00 60.45 H new ATOM 0 HD11 LEU A 89 7.586 13.405 -29.845 1.00 61.22 H new ATOM 0 HD12 LEU A 89 6.307 12.188 -29.617 1.00 61.22 H new ATOM 0 HD13 LEU A 89 7.569 12.396 -28.379 1.00 61.22 H new ATOM 0 HD21 LEU A 89 9.890 12.709 -30.380 1.00 25.41 H new ATOM 0 HD22 LEU A 89 9.965 11.672 -28.936 1.00 25.41 H new ATOM 0 HD23 LEU A 89 10.295 10.984 -30.544 1.00 25.41 H new ATOM 1417 N PHE A 90 10.242 8.637 -30.901 1.00 43.20 N ATOM 1418 CA PHE A 90 11.512 8.615 -31.618 1.00 72.42 C ATOM 1419 C PHE A 90 11.608 7.384 -32.516 1.00 13.25 C ATOM 1420 O PHE A 90 11.720 7.500 -33.735 1.00 61.31 O ATOM 1421 CB PHE A 90 12.680 8.632 -30.630 1.00 63.25 C ATOM 1422 CG PHE A 90 13.973 9.093 -31.239 1.00 43.55 C ATOM 1423 CD1 PHE A 90 14.165 10.427 -31.562 1.00 3.22 C ATOM 1424 CD2 PHE A 90 14.997 8.194 -31.490 1.00 74.51 C ATOM 1425 CE1 PHE A 90 15.354 10.856 -32.122 1.00 21.50 C ATOM 1426 CE2 PHE A 90 16.188 8.616 -32.050 1.00 14.04 C ATOM 1427 CZ PHE A 90 16.366 9.948 -32.367 1.00 42.31 C ATOM 0 H PHE A 90 10.320 8.463 -29.899 1.00 43.20 H new ATOM 0 HA PHE A 90 11.563 9.505 -32.245 1.00 72.42 H new ATOM 0 HB2 PHE A 90 12.429 9.284 -29.794 1.00 63.25 H new ATOM 0 HB3 PHE A 90 12.816 7.630 -30.223 1.00 63.25 H new ATOM 0 HD1 PHE A 90 13.376 11.140 -31.374 1.00 3.22 H new ATOM 0 HD2 PHE A 90 14.863 7.151 -31.245 1.00 74.51 H new ATOM 0 HE1 PHE A 90 15.491 11.899 -32.367 1.00 21.50 H new ATOM 0 HE2 PHE A 90 16.978 7.905 -32.239 1.00 14.04 H new ATOM 0 HZ PHE A 90 17.295 10.280 -32.806 1.00 42.31 H new ATOM 1437 N ASN A 91 11.563 6.206 -31.901 1.00 41.43 N ATOM 1438 CA ASN A 91 11.646 4.954 -32.644 1.00 21.35 C ATOM 1439 C ASN A 91 11.598 3.757 -31.698 1.00 40.13 C ATOM 1440 O ASN A 91 12.579 3.445 -31.024 1.00 52.24 O ATOM 1441 CB ASN A 91 12.932 4.912 -33.472 1.00 74.12 C ATOM 1442 CG ASN A 91 12.660 4.713 -34.951 1.00 22.52 C ATOM 1443 OD1 ASN A 91 13.064 5.526 -35.783 1.00 33.45 O ATOM 1444 ND2 ASN A 91 11.973 3.627 -35.285 1.00 32.53 N ATOM 0 H ASN A 91 11.470 6.093 -30.892 1.00 41.43 H new ATOM 0 HA ASN A 91 10.788 4.900 -33.315 1.00 21.35 H new ATOM 0 HB2 ASN A 91 13.484 5.841 -33.328 1.00 74.12 H new ATOM 0 HB3 ASN A 91 13.568 4.104 -33.110 1.00 74.12 H new ATOM 0 HD21 ASN A 91 11.760 3.439 -36.265 1.00 32.53 H new ATOM 0 HD22 ASN A 91 11.658 2.980 -34.562 1.00 32.53 H new ATOM 1451 N GLY A 92 10.449 3.090 -31.655 1.00 32.31 N ATOM 1452 CA GLY A 92 10.294 1.935 -30.790 1.00 31.30 C ATOM 1453 C GLY A 92 9.193 1.004 -31.257 1.00 74.14 C ATOM 1454 O GLY A 92 9.464 -0.075 -31.784 1.00 43.42 O ATOM 0 H GLY A 92 9.623 3.329 -32.204 1.00 32.31 H new ATOM 0 HA2 GLY A 92 11.235 1.387 -30.749 1.00 31.30 H new ATOM 0 HA3 GLY A 92 10.076 2.271 -29.776 1.00 31.30 H new ATOM 1458 N ALA A 93 7.946 1.420 -31.063 1.00 53.41 N ATOM 1459 CA ALA A 93 6.800 0.616 -31.469 1.00 14.31 C ATOM 1460 C ALA A 93 6.251 1.082 -32.814 1.00 22.55 C ATOM 1461 O ALA A 93 6.456 0.429 -33.836 1.00 61.04 O ATOM 1462 CB ALA A 93 5.713 0.672 -30.406 1.00 12.04 C ATOM 0 H ALA A 93 7.704 2.310 -30.627 1.00 53.41 H new ATOM 0 HA ALA A 93 7.133 -0.416 -31.579 1.00 14.31 H new ATOM 0 HB1 ALA A 93 4.863 0.067 -30.722 1.00 12.04 H new ATOM 0 HB2 ALA A 93 6.104 0.285 -29.465 1.00 12.04 H new ATOM 0 HB3 ALA A 93 5.392 1.704 -30.268 1.00 12.04 H new ATOM 1468 N GLU A 94 5.553 2.213 -32.803 1.00 70.24 N ATOM 1469 CA GLU A 94 4.974 2.763 -34.023 1.00 50.23 C ATOM 1470 C GLU A 94 3.990 1.780 -34.651 1.00 23.44 C ATOM 1471 O GLU A 94 3.656 1.886 -35.830 1.00 11.13 O ATOM 1472 CB GLU A 94 6.076 3.109 -35.027 1.00 23.14 C ATOM 1473 CG GLU A 94 5.879 4.452 -35.709 1.00 75.24 C ATOM 1474 CD GLU A 94 4.805 4.410 -36.780 1.00 23.42 C ATOM 1475 OE1 GLU A 94 3.614 4.540 -36.430 1.00 14.15 O ATOM 1476 OE2 GLU A 94 5.156 4.246 -37.967 1.00 24.22 O ATOM 0 H GLU A 94 5.375 2.766 -31.964 1.00 70.24 H new ATOM 0 HA GLU A 94 4.434 3.672 -33.759 1.00 50.23 H new ATOM 0 HB2 GLU A 94 7.037 3.110 -34.513 1.00 23.14 H new ATOM 0 HB3 GLU A 94 6.122 2.329 -35.787 1.00 23.14 H new ATOM 0 HG2 GLU A 94 5.613 5.199 -34.962 1.00 75.24 H new ATOM 0 HG3 GLU A 94 6.821 4.770 -36.156 1.00 75.24 H new ATOM 1483 N GLY A 95 3.531 0.821 -33.852 1.00 72.43 N ATOM 1484 CA GLY A 95 2.591 -0.169 -34.346 1.00 50.21 C ATOM 1485 C GLY A 95 2.335 -1.276 -33.343 1.00 75.12 C ATOM 1486 O GLY A 95 1.257 -1.870 -33.326 1.00 54.40 O ATOM 0 H GLY A 95 3.793 0.712 -32.872 1.00 72.43 H new ATOM 0 HA2 GLY A 95 1.648 0.320 -34.591 1.00 50.21 H new ATOM 0 HA3 GLY A 95 2.975 -0.602 -35.270 1.00 50.21 H new ATOM 1490 N ALA A 96 3.328 -1.556 -32.506 1.00 62.24 N ATOM 1491 CA ALA A 96 3.205 -2.599 -31.496 1.00 32.51 C ATOM 1492 C ALA A 96 3.343 -2.022 -30.091 1.00 72.32 C ATOM 1493 O ALA A 96 4.240 -2.403 -29.339 1.00 0.43 O ATOM 1494 CB ALA A 96 4.246 -3.684 -31.728 1.00 22.45 C ATOM 0 H ALA A 96 4.227 -1.075 -32.508 1.00 62.24 H new ATOM 0 HA ALA A 96 2.212 -3.039 -31.583 1.00 32.51 H new ATOM 0 HB1 ALA A 96 4.142 -4.457 -30.966 1.00 22.45 H new ATOM 0 HB2 ALA A 96 4.099 -4.125 -32.714 1.00 22.45 H new ATOM 0 HB3 ALA A 96 5.244 -3.249 -31.670 1.00 22.45 H new ATOM 1500 N TYR A 97 2.450 -1.102 -29.745 1.00 33.24 N ATOM 1501 CA TYR A 97 2.474 -0.470 -28.431 1.00 21.12 C ATOM 1502 C TYR A 97 2.513 -1.518 -27.323 1.00 33.03 C ATOM 1503 O TYR A 97 3.052 -1.277 -26.243 1.00 40.43 O ATOM 1504 CB TYR A 97 1.252 0.432 -28.253 1.00 34.22 C ATOM 1505 CG TYR A 97 -0.063 -0.313 -28.307 1.00 12.21 C ATOM 1506 CD1 TYR A 97 -0.606 -0.888 -27.165 1.00 13.24 C ATOM 1507 CD2 TYR A 97 -0.763 -0.440 -29.501 1.00 31.54 C ATOM 1508 CE1 TYR A 97 -1.807 -1.570 -27.210 1.00 2.32 C ATOM 1509 CE2 TYR A 97 -1.965 -1.119 -29.555 1.00 31.32 C ATOM 1510 CZ TYR A 97 -2.483 -1.682 -28.407 1.00 25.50 C ATOM 1511 OH TYR A 97 -3.679 -2.360 -28.456 1.00 14.32 O ATOM 0 H TYR A 97 1.700 -0.777 -30.356 1.00 33.24 H new ATOM 0 HA TYR A 97 3.377 0.137 -28.364 1.00 21.12 H new ATOM 0 HB2 TYR A 97 1.328 0.949 -27.296 1.00 34.22 H new ATOM 0 HB3 TYR A 97 1.259 1.197 -29.030 1.00 34.22 H new ATOM 0 HD1 TYR A 97 -0.080 -0.801 -26.226 1.00 13.24 H new ATOM 0 HD2 TYR A 97 -0.361 -0.001 -30.402 1.00 31.54 H new ATOM 0 HE1 TYR A 97 -2.214 -2.013 -26.313 1.00 2.32 H new ATOM 0 HE2 TYR A 97 -2.496 -1.209 -30.491 1.00 31.32 H new ATOM 0 HH TYR A 97 -4.026 -2.346 -29.373 1.00 14.32 H new ATOM 1521 N ALA A 98 1.937 -2.683 -27.599 1.00 74.31 N ATOM 1522 CA ALA A 98 1.907 -3.770 -26.628 1.00 73.01 C ATOM 1523 C ALA A 98 3.311 -4.112 -26.144 1.00 25.24 C ATOM 1524 O ALA A 98 3.490 -4.621 -25.037 1.00 30.11 O ATOM 1525 CB ALA A 98 1.240 -4.998 -27.231 1.00 24.13 C ATOM 0 H ALA A 98 1.485 -2.899 -28.487 1.00 74.31 H new ATOM 0 HA ALA A 98 1.325 -3.440 -25.768 1.00 73.01 H new ATOM 0 HB1 ALA A 98 1.224 -5.802 -26.495 1.00 24.13 H new ATOM 0 HB2 ALA A 98 0.219 -4.752 -27.521 1.00 24.13 H new ATOM 0 HB3 ALA A 98 1.799 -5.321 -28.109 1.00 24.13 H new ATOM 1531 N ASP A 99 4.305 -3.830 -26.979 1.00 22.40 N ATOM 1532 CA ASP A 99 5.695 -4.108 -26.635 1.00 70.23 C ATOM 1533 C ASP A 99 6.137 -3.270 -25.440 1.00 20.12 C ATOM 1534 O ASP A 99 6.921 -3.724 -24.607 1.00 35.44 O ATOM 1535 CB ASP A 99 6.604 -3.830 -27.833 1.00 43.22 C ATOM 1536 CG ASP A 99 6.156 -4.563 -29.083 1.00 4.54 C ATOM 1537 OD1 ASP A 99 5.296 -5.460 -28.968 1.00 34.30 O ATOM 1538 OD2 ASP A 99 6.666 -4.238 -30.175 1.00 41.32 O ATOM 0 H ASP A 99 4.174 -3.409 -27.899 1.00 22.40 H new ATOM 0 HA ASP A 99 5.773 -5.161 -26.366 1.00 70.23 H new ATOM 0 HB2 ASP A 99 6.622 -2.758 -28.031 1.00 43.22 H new ATOM 0 HB3 ASP A 99 7.624 -4.126 -27.588 1.00 43.22 H new ATOM 1543 N ALA A 100 5.630 -2.044 -25.363 1.00 70.02 N ATOM 1544 CA ALA A 100 5.972 -1.143 -24.270 1.00 13.04 C ATOM 1545 C ALA A 100 5.160 -1.464 -23.020 1.00 34.15 C ATOM 1546 O ALA A 100 5.592 -1.192 -21.900 1.00 50.31 O ATOM 1547 CB ALA A 100 5.750 0.303 -24.688 1.00 63.13 C ATOM 0 H ALA A 100 4.981 -1.652 -26.045 1.00 70.02 H new ATOM 0 HA ALA A 100 7.027 -1.283 -24.033 1.00 13.04 H new ATOM 0 HB1 ALA A 100 6.010 0.965 -23.862 1.00 63.13 H new ATOM 0 HB2 ALA A 100 6.378 0.534 -25.548 1.00 63.13 H new ATOM 0 HB3 ALA A 100 4.703 0.448 -24.954 1.00 63.13 H new ATOM 1553 N ALA A 101 3.980 -2.044 -23.218 1.00 44.14 N ATOM 1554 CA ALA A 101 3.109 -2.403 -22.107 1.00 34.02 C ATOM 1555 C ALA A 101 3.691 -3.562 -21.305 1.00 34.21 C ATOM 1556 O ALA A 101 3.461 -3.673 -20.101 1.00 20.25 O ATOM 1557 CB ALA A 101 1.720 -2.757 -22.618 1.00 60.22 C ATOM 0 H ALA A 101 3.606 -2.275 -24.138 1.00 44.14 H new ATOM 0 HA ALA A 101 3.032 -1.540 -21.445 1.00 34.02 H new ATOM 0 HB1 ALA A 101 1.080 -3.023 -21.777 1.00 60.22 H new ATOM 0 HB2 ALA A 101 1.295 -1.900 -23.140 1.00 60.22 H new ATOM 0 HB3 ALA A 101 1.789 -3.602 -23.303 1.00 60.22 H new ATOM 1563 N ARG A 102 4.444 -4.424 -21.981 1.00 1.45 N ATOM 1564 CA ARG A 102 5.057 -5.576 -21.331 1.00 3.43 C ATOM 1565 C ARG A 102 6.023 -5.132 -20.236 1.00 12.05 C ATOM 1566 O ARG A 102 5.935 -5.585 -19.094 1.00 24.52 O ATOM 1567 CB ARG A 102 5.796 -6.435 -22.359 1.00 15.12 C ATOM 1568 CG ARG A 102 5.749 -7.923 -22.055 1.00 31.35 C ATOM 1569 CD ARG A 102 7.080 -8.424 -21.517 1.00 2.14 C ATOM 1570 NE ARG A 102 7.744 -9.327 -22.453 1.00 3.30 N ATOM 1571 CZ ARG A 102 8.886 -9.951 -22.187 1.00 63.04 C ATOM 1572 NH1 ARG A 102 9.488 -9.772 -21.019 1.00 53.34 N ATOM 1573 NH2 ARG A 102 9.429 -10.757 -23.091 1.00 31.21 N ATOM 0 H ARG A 102 4.644 -4.346 -22.978 1.00 1.45 H new ATOM 0 HA ARG A 102 4.264 -6.168 -20.875 1.00 3.43 H new ATOM 0 HB2 ARG A 102 5.364 -6.260 -23.344 1.00 15.12 H new ATOM 0 HB3 ARG A 102 6.837 -6.115 -22.406 1.00 15.12 H new ATOM 0 HG2 ARG A 102 4.963 -8.122 -21.327 1.00 31.35 H new ATOM 0 HG3 ARG A 102 5.491 -8.472 -22.960 1.00 31.35 H new ATOM 0 HD2 ARG A 102 7.730 -7.574 -21.310 1.00 2.14 H new ATOM 0 HD3 ARG A 102 6.918 -8.939 -20.570 1.00 2.14 H new ATOM 0 HE ARG A 102 7.307 -9.487 -23.361 1.00 3.30 H new ATOM 0 HH11 ARG A 102 9.074 -9.154 -20.321 1.00 53.34 H new ATOM 0 HH12 ARG A 102 10.365 -10.253 -20.818 1.00 53.34 H new ATOM 0 HH21 ARG A 102 8.969 -10.898 -23.991 1.00 31.21 H new ATOM 0 HH22 ARG A 102 10.306 -11.236 -22.886 1.00 31.21 H new ATOM 1587 N THR A 103 6.945 -4.242 -20.591 1.00 34.40 N ATOM 1588 CA THR A 103 7.927 -3.739 -19.640 1.00 45.40 C ATOM 1589 C THR A 103 7.258 -2.932 -18.533 1.00 43.11 C ATOM 1590 O THR A 103 7.732 -2.907 -17.397 1.00 15.32 O ATOM 1591 CB THR A 103 8.982 -2.858 -20.336 1.00 2.42 C ATOM 1592 OG1 THR A 103 9.906 -2.345 -19.370 1.00 4.41 O ATOM 1593 CG2 THR A 103 8.321 -1.704 -21.075 1.00 62.12 C ATOM 0 H THR A 103 7.031 -3.855 -21.531 1.00 34.40 H new ATOM 0 HA THR A 103 8.420 -4.608 -19.205 1.00 45.40 H new ATOM 0 HB THR A 103 9.517 -3.473 -21.059 1.00 2.42 H new ATOM 0 HG1 THR A 103 10.574 -1.787 -19.820 1.00 4.41 H new ATOM 0 HG21 THR A 103 9.086 -1.096 -21.558 1.00 62.12 H new ATOM 0 HG22 THR A 103 7.640 -2.098 -21.829 1.00 62.12 H new ATOM 0 HG23 THR A 103 7.763 -1.091 -20.367 1.00 62.12 H new ATOM 1601 N PHE A 104 6.154 -2.274 -18.871 1.00 44.15 N ATOM 1602 CA PHE A 104 5.420 -1.466 -17.905 1.00 52.54 C ATOM 1603 C PHE A 104 4.937 -2.320 -16.737 1.00 11.31 C ATOM 1604 O PHE A 104 5.260 -2.048 -15.581 1.00 51.52 O ATOM 1605 CB PHE A 104 4.228 -0.784 -18.580 1.00 52.14 C ATOM 1606 CG PHE A 104 3.318 -0.076 -17.618 1.00 1.33 C ATOM 1607 CD1 PHE A 104 3.547 1.247 -17.273 1.00 72.23 C ATOM 1608 CD2 PHE A 104 2.234 -0.732 -17.058 1.00 22.14 C ATOM 1609 CE1 PHE A 104 2.712 1.900 -16.387 1.00 53.40 C ATOM 1610 CE2 PHE A 104 1.395 -0.083 -16.171 1.00 23.50 C ATOM 1611 CZ PHE A 104 1.634 1.235 -15.836 1.00 71.02 C ATOM 0 H PHE A 104 5.748 -2.285 -19.807 1.00 44.15 H new ATOM 0 HA PHE A 104 6.096 -0.703 -17.519 1.00 52.54 H new ATOM 0 HB2 PHE A 104 4.597 -0.067 -19.313 1.00 52.14 H new ATOM 0 HB3 PHE A 104 3.654 -1.532 -19.127 1.00 52.14 H new ATOM 0 HD1 PHE A 104 4.387 1.773 -17.702 1.00 72.23 H new ATOM 0 HD2 PHE A 104 2.042 -1.763 -17.317 1.00 22.14 H new ATOM 0 HE1 PHE A 104 2.902 2.930 -16.125 1.00 53.40 H new ATOM 0 HE2 PHE A 104 0.554 -0.606 -15.741 1.00 23.50 H new ATOM 0 HZ PHE A 104 0.979 1.745 -15.145 1.00 71.02 H new ATOM 1621 N GLU A 105 4.161 -3.353 -17.048 1.00 71.31 N ATOM 1622 CA GLU A 105 3.632 -4.246 -16.024 1.00 22.42 C ATOM 1623 C GLU A 105 4.756 -4.805 -15.156 1.00 64.22 C ATOM 1624 O GLU A 105 4.611 -4.938 -13.941 1.00 2.22 O ATOM 1625 CB GLU A 105 2.853 -5.394 -16.669 1.00 73.02 C ATOM 1626 CG GLU A 105 1.398 -5.058 -16.953 1.00 64.01 C ATOM 1627 CD GLU A 105 0.551 -5.026 -15.696 1.00 10.40 C ATOM 1628 OE1 GLU A 105 0.796 -5.855 -14.795 1.00 1.44 O ATOM 1629 OE2 GLU A 105 -0.357 -4.172 -15.614 1.00 23.25 O ATOM 0 H GLU A 105 3.885 -3.592 -18.000 1.00 71.31 H new ATOM 0 HA GLU A 105 2.958 -3.670 -15.390 1.00 22.42 H new ATOM 0 HB2 GLU A 105 3.341 -5.674 -17.602 1.00 73.02 H new ATOM 0 HB3 GLU A 105 2.895 -6.264 -16.014 1.00 73.02 H new ATOM 0 HG2 GLU A 105 1.343 -4.089 -17.449 1.00 64.01 H new ATOM 0 HG3 GLU A 105 0.987 -5.794 -17.645 1.00 64.01 H new ATOM 1636 N LYS A 106 5.878 -5.132 -15.790 1.00 33.14 N ATOM 1637 CA LYS A 106 7.028 -5.676 -15.078 1.00 62.20 C ATOM 1638 C LYS A 106 7.494 -4.719 -13.985 1.00 64.44 C ATOM 1639 O LYS A 106 7.759 -5.132 -12.856 1.00 73.41 O ATOM 1640 CB LYS A 106 8.175 -5.950 -16.054 1.00 73.11 C ATOM 1641 CG LYS A 106 7.927 -7.140 -16.965 1.00 30.12 C ATOM 1642 CD LYS A 106 8.024 -8.453 -16.206 1.00 1.12 C ATOM 1643 CE LYS A 106 8.111 -9.639 -17.153 1.00 65.44 C ATOM 1644 NZ LYS A 106 8.767 -10.814 -16.513 1.00 55.51 N ATOM 0 H LYS A 106 6.015 -5.029 -16.796 1.00 33.14 H new ATOM 0 HA LYS A 106 6.725 -6.613 -14.611 1.00 62.20 H new ATOM 0 HB2 LYS A 106 8.340 -5.063 -16.666 1.00 73.11 H new ATOM 0 HB3 LYS A 106 9.090 -6.121 -15.487 1.00 73.11 H new ATOM 0 HG2 LYS A 106 6.940 -7.053 -17.418 1.00 30.12 H new ATOM 0 HG3 LYS A 106 8.653 -7.134 -17.778 1.00 30.12 H new ATOM 0 HD2 LYS A 106 8.902 -8.437 -15.560 1.00 1.12 H new ATOM 0 HD3 LYS A 106 7.154 -8.566 -15.559 1.00 1.12 H new ATOM 0 HE2 LYS A 106 7.109 -9.916 -17.480 1.00 65.44 H new ATOM 0 HE3 LYS A 106 8.670 -9.352 -18.044 1.00 65.44 H new ATOM 0 HZ1 LYS A 106 8.807 -11.601 -17.191 1.00 55.51 H new ATOM 0 HZ2 LYS A 106 9.732 -10.557 -16.223 1.00 55.51 H new ATOM 0 HZ3 LYS A 106 8.220 -11.104 -15.677 1.00 55.51 H new ATOM 1658 N PHE A 107 7.592 -3.439 -14.328 1.00 71.23 N ATOM 1659 CA PHE A 107 8.026 -2.424 -13.376 1.00 54.50 C ATOM 1660 C PHE A 107 7.159 -2.450 -12.120 1.00 65.31 C ATOM 1661 O PHE A 107 7.670 -2.418 -11.001 1.00 34.54 O ATOM 1662 CB PHE A 107 7.970 -1.036 -14.018 1.00 4.42 C ATOM 1663 CG PHE A 107 9.314 -0.520 -14.448 1.00 21.13 C ATOM 1664 CD1 PHE A 107 9.999 -1.120 -15.492 1.00 24.12 C ATOM 1665 CD2 PHE A 107 9.892 0.564 -13.807 1.00 41.23 C ATOM 1666 CE1 PHE A 107 11.236 -0.648 -15.890 1.00 51.02 C ATOM 1667 CE2 PHE A 107 11.128 1.041 -14.202 1.00 31.14 C ATOM 1668 CZ PHE A 107 11.801 0.433 -15.243 1.00 43.44 C ATOM 0 H PHE A 107 7.377 -3.080 -15.258 1.00 71.23 H new ATOM 0 HA PHE A 107 9.055 -2.645 -13.091 1.00 54.50 H new ATOM 0 HB2 PHE A 107 7.309 -1.071 -14.884 1.00 4.42 H new ATOM 0 HB3 PHE A 107 7.530 -0.334 -13.310 1.00 4.42 H new ATOM 0 HD1 PHE A 107 9.562 -1.966 -16.001 1.00 24.12 H new ATOM 0 HD2 PHE A 107 9.371 1.041 -12.990 1.00 41.23 H new ATOM 0 HE1 PHE A 107 11.760 -1.124 -16.706 1.00 51.02 H new ATOM 0 HE2 PHE A 107 11.567 1.889 -13.697 1.00 31.14 H new ATOM 0 HZ PHE A 107 12.768 0.802 -15.551 1.00 43.44 H new ATOM 1678 N ALA A 108 5.846 -2.508 -12.315 1.00 62.44 N ATOM 1679 CA ALA A 108 4.909 -2.541 -11.200 1.00 13.12 C ATOM 1680 C ALA A 108 5.207 -3.708 -10.265 1.00 64.44 C ATOM 1681 O ALA A 108 5.187 -3.559 -9.044 1.00 41.21 O ATOM 1682 CB ALA A 108 3.479 -2.626 -11.714 1.00 62.30 C ATOM 0 H ALA A 108 5.407 -2.533 -13.235 1.00 62.44 H new ATOM 0 HA ALA A 108 5.026 -1.617 -10.633 1.00 13.12 H new ATOM 0 HB1 ALA A 108 2.790 -2.650 -10.870 1.00 62.30 H new ATOM 0 HB2 ALA A 108 3.263 -1.756 -12.334 1.00 62.30 H new ATOM 0 HB3 ALA A 108 3.359 -3.533 -12.306 1.00 62.30 H new ATOM 1688 N MET A 109 5.484 -4.871 -10.848 1.00 11.42 N ATOM 1689 CA MET A 109 5.787 -6.064 -10.066 1.00 3.41 C ATOM 1690 C MET A 109 7.008 -5.837 -9.180 1.00 63.11 C ATOM 1691 O MET A 109 7.014 -6.210 -8.008 1.00 25.21 O ATOM 1692 CB MET A 109 6.028 -7.258 -10.991 1.00 44.01 C ATOM 1693 CG MET A 109 5.579 -8.585 -10.401 1.00 13.54 C ATOM 1694 SD MET A 109 4.918 -9.710 -11.645 1.00 22.34 S ATOM 1695 CE MET A 109 5.176 -11.291 -10.842 1.00 41.30 C ATOM 0 H MET A 109 5.505 -5.012 -11.858 1.00 11.42 H new ATOM 0 HA MET A 109 4.930 -6.277 -9.426 1.00 3.41 H new ATOM 0 HB2 MET A 109 5.502 -7.091 -11.931 1.00 44.01 H new ATOM 0 HB3 MET A 109 7.091 -7.316 -11.227 1.00 44.01 H new ATOM 0 HG2 MET A 109 6.423 -9.059 -9.900 1.00 13.54 H new ATOM 0 HG3 MET A 109 4.819 -8.402 -9.642 1.00 13.54 H new ATOM 0 HE1 MET A 109 4.816 -12.091 -11.489 1.00 41.30 H new ATOM 0 HE2 MET A 109 6.239 -11.431 -10.648 1.00 41.30 H new ATOM 0 HE3 MET A 109 4.629 -11.314 -9.899 1.00 41.30 H new ATOM 1705 N GLY A 110 8.041 -5.223 -9.749 1.00 64.12 N ATOM 1706 CA GLY A 110 9.253 -4.958 -8.996 1.00 65.34 C ATOM 1707 C GLY A 110 8.989 -4.164 -7.732 1.00 62.35 C ATOM 1708 O GLY A 110 9.551 -4.457 -6.677 1.00 21.41 O ATOM 0 H GLY A 110 8.060 -4.904 -10.718 1.00 64.12 H new ATOM 0 HA2 GLY A 110 9.729 -5.903 -8.735 1.00 65.34 H new ATOM 0 HA3 GLY A 110 9.955 -4.411 -9.625 1.00 65.34 H new ATOM 1712 N LYS A 111 8.132 -3.154 -7.838 1.00 63.45 N ATOM 1713 CA LYS A 111 7.794 -2.314 -6.696 1.00 20.22 C ATOM 1714 C LYS A 111 7.173 -3.143 -5.576 1.00 75.02 C ATOM 1715 O LYS A 111 7.479 -2.943 -4.400 1.00 74.13 O ATOM 1716 CB LYS A 111 6.829 -1.205 -7.120 1.00 75.31 C ATOM 1717 CG LYS A 111 6.802 -0.024 -6.166 1.00 45.41 C ATOM 1718 CD LYS A 111 5.482 0.724 -6.240 1.00 53.04 C ATOM 1719 CE LYS A 111 4.580 0.381 -5.064 1.00 44.51 C ATOM 1720 NZ LYS A 111 4.093 -1.024 -5.130 1.00 21.23 N ATOM 0 H LYS A 111 7.659 -2.898 -8.704 1.00 63.45 H new ATOM 0 HA LYS A 111 8.714 -1.863 -6.323 1.00 20.22 H new ATOM 0 HB2 LYS A 111 7.108 -0.853 -8.113 1.00 75.31 H new ATOM 0 HB3 LYS A 111 5.824 -1.620 -7.199 1.00 75.31 H new ATOM 0 HG2 LYS A 111 6.966 -0.375 -5.147 1.00 45.41 H new ATOM 0 HG3 LYS A 111 7.620 0.656 -6.404 1.00 45.41 H new ATOM 0 HD2 LYS A 111 5.671 1.797 -6.254 1.00 53.04 H new ATOM 0 HD3 LYS A 111 4.975 0.478 -7.173 1.00 53.04 H new ATOM 0 HE2 LYS A 111 5.125 0.533 -4.132 1.00 44.51 H new ATOM 0 HE3 LYS A 111 3.728 1.060 -5.050 1.00 44.51 H new ATOM 0 HZ1 LYS A 111 3.482 -1.218 -4.311 1.00 21.23 H new ATOM 0 HZ2 LYS A 111 3.552 -1.163 -6.007 1.00 21.23 H new ATOM 0 HZ3 LYS A 111 4.905 -1.674 -5.118 1.00 21.23 H new ATOM 1734 N ILE A 112 6.301 -4.074 -5.949 1.00 55.52 N ATOM 1735 CA ILE A 112 5.639 -4.934 -4.976 1.00 51.31 C ATOM 1736 C ILE A 112 6.656 -5.653 -4.097 1.00 2.12 C ATOM 1737 O ILE A 112 6.532 -5.669 -2.872 1.00 2.20 O ATOM 1738 CB ILE A 112 4.743 -5.979 -5.666 1.00 63.51 C ATOM 1739 CG1 ILE A 112 3.696 -5.288 -6.541 1.00 73.00 C ATOM 1740 CG2 ILE A 112 4.072 -6.869 -4.630 1.00 5.32 C ATOM 1741 CD1 ILE A 112 2.923 -6.241 -7.425 1.00 74.24 C ATOM 0 H ILE A 112 6.037 -4.252 -6.918 1.00 55.52 H new ATOM 0 HA ILE A 112 5.018 -4.289 -4.355 1.00 51.31 H new ATOM 0 HB ILE A 112 5.366 -6.605 -6.305 1.00 63.51 H new ATOM 0 HG12 ILE A 112 2.996 -4.751 -5.901 1.00 73.00 H new ATOM 0 HG13 ILE A 112 4.190 -4.545 -7.167 1.00 73.00 H new ATOM 0 HG21 ILE A 112 3.442 -7.602 -5.134 1.00 5.32 H new ATOM 0 HG22 ILE A 112 4.834 -7.385 -4.046 1.00 5.32 H new ATOM 0 HG23 ILE A 112 3.459 -6.258 -3.968 1.00 5.32 H new ATOM 0 HD11 ILE A 112 2.199 -5.682 -8.017 1.00 74.24 H new ATOM 0 HD12 ILE A 112 3.612 -6.760 -8.091 1.00 74.24 H new ATOM 0 HD13 ILE A 112 2.400 -6.969 -6.805 1.00 74.24 H new ATOM 1753 N ASP A 113 7.663 -6.246 -4.730 1.00 13.54 N ATOM 1754 CA ASP A 113 8.704 -6.964 -4.005 1.00 62.40 C ATOM 1755 C ASP A 113 9.400 -6.048 -3.003 1.00 64.43 C ATOM 1756 O ASP A 113 9.532 -6.385 -1.827 1.00 42.00 O ATOM 1757 CB ASP A 113 9.728 -7.544 -4.982 1.00 41.34 C ATOM 1758 CG ASP A 113 9.279 -8.864 -5.577 1.00 33.14 C ATOM 1759 OD1 ASP A 113 8.252 -8.876 -6.287 1.00 42.43 O ATOM 1760 OD2 ASP A 113 9.953 -9.886 -5.330 1.00 61.22 O ATOM 0 H ASP A 113 7.780 -6.243 -5.743 1.00 13.54 H new ATOM 0 HA ASP A 113 8.233 -7.780 -3.457 1.00 62.40 H new ATOM 0 HB2 ASP A 113 9.905 -6.829 -5.785 1.00 41.34 H new ATOM 0 HB3 ASP A 113 10.678 -7.686 -4.466 1.00 41.34 H new ATOM 1765 N ALA A 114 9.845 -4.890 -3.479 1.00 0.45 N ATOM 1766 CA ALA A 114 10.527 -3.925 -2.625 1.00 12.13 C ATOM 1767 C ALA A 114 9.628 -3.476 -1.478 1.00 1.45 C ATOM 1768 O ALA A 114 10.081 -3.330 -0.342 1.00 12.11 O ATOM 1769 CB ALA A 114 10.982 -2.725 -3.442 1.00 74.14 C ATOM 0 H ALA A 114 9.746 -4.597 -4.451 1.00 0.45 H new ATOM 0 HA ALA A 114 11.403 -4.412 -2.197 1.00 12.13 H new ATOM 0 HB1 ALA A 114 11.489 -2.013 -2.791 1.00 74.14 H new ATOM 0 HB2 ALA A 114 11.667 -3.055 -4.223 1.00 74.14 H new ATOM 0 HB3 ALA A 114 10.116 -2.246 -3.898 1.00 74.14 H new ATOM 1775 N TYR A 115 8.354 -3.257 -1.782 1.00 13.04 N ATOM 1776 CA TYR A 115 7.392 -2.821 -0.776 1.00 40.10 C ATOM 1777 C TYR A 115 7.435 -3.729 0.449 1.00 22.20 C ATOM 1778 O TYR A 115 7.393 -3.258 1.586 1.00 32.51 O ATOM 1779 CB TYR A 115 5.980 -2.805 -1.364 1.00 32.24 C ATOM 1780 CG TYR A 115 4.911 -2.432 -0.361 1.00 41.34 C ATOM 1781 CD1 TYR A 115 5.024 -1.280 0.408 1.00 60.22 C ATOM 1782 CD2 TYR A 115 3.788 -3.230 -0.184 1.00 73.14 C ATOM 1783 CE1 TYR A 115 4.050 -0.936 1.325 1.00 4.31 C ATOM 1784 CE2 TYR A 115 2.808 -2.893 0.730 1.00 43.55 C ATOM 1785 CZ TYR A 115 2.944 -1.745 1.482 1.00 4.22 C ATOM 1786 OH TYR A 115 1.972 -1.404 2.394 1.00 74.21 O ATOM 0 H TYR A 115 7.963 -3.374 -2.717 1.00 13.04 H new ATOM 0 HA TYR A 115 7.661 -1.811 -0.466 1.00 40.10 H new ATOM 0 HB2 TYR A 115 5.949 -2.100 -2.195 1.00 32.24 H new ATOM 0 HB3 TYR A 115 5.755 -3.790 -1.773 1.00 32.24 H new ATOM 0 HD1 TYR A 115 5.888 -0.643 0.287 1.00 60.22 H new ATOM 0 HD2 TYR A 115 3.679 -4.130 -0.771 1.00 73.14 H new ATOM 0 HE1 TYR A 115 4.154 -0.038 1.916 1.00 4.31 H new ATOM 0 HE2 TYR A 115 1.941 -3.525 0.855 1.00 43.55 H new ATOM 0 HH TYR A 115 1.260 -2.078 2.381 1.00 74.21 H new ATOM 1796 N ILE A 116 7.520 -5.033 0.208 1.00 63.11 N ATOM 1797 CA ILE A 116 7.571 -6.008 1.290 1.00 1.14 C ATOM 1798 C ILE A 116 8.876 -5.895 2.071 1.00 0.33 C ATOM 1799 O ILE A 116 8.896 -6.048 3.292 1.00 12.15 O ATOM 1800 CB ILE A 116 7.427 -7.446 0.760 1.00 73.53 C ATOM 1801 CG1 ILE A 116 6.135 -7.588 -0.047 1.00 74.25 C ATOM 1802 CG2 ILE A 116 7.450 -8.441 1.911 1.00 1.41 C ATOM 1803 CD1 ILE A 116 6.038 -8.892 -0.809 1.00 15.24 C ATOM 0 H ILE A 116 7.555 -5.439 -0.727 1.00 63.11 H new ATOM 0 HA ILE A 116 6.733 -5.788 1.952 1.00 1.14 H new ATOM 0 HB ILE A 116 8.270 -7.661 0.103 1.00 73.53 H new ATOM 0 HG12 ILE A 116 5.284 -7.507 0.629 1.00 74.25 H new ATOM 0 HG13 ILE A 116 6.063 -6.759 -0.751 1.00 74.25 H new ATOM 0 HG21 ILE A 116 7.347 -9.453 1.519 1.00 1.41 H new ATOM 0 HG22 ILE A 116 8.394 -8.354 2.448 1.00 1.41 H new ATOM 0 HG23 ILE A 116 6.625 -8.230 2.591 1.00 1.41 H new ATOM 0 HD11 ILE A 116 5.097 -8.924 -1.358 1.00 15.24 H new ATOM 0 HD12 ILE A 116 6.869 -8.967 -1.510 1.00 15.24 H new ATOM 0 HD13 ILE A 116 6.078 -9.726 -0.109 1.00 15.24 H new ATOM 1815 N SER A 117 9.964 -5.624 1.358 1.00 5.41 N ATOM 1816 CA SER A 117 11.275 -5.491 1.984 1.00 70.42 C ATOM 1817 C SER A 117 11.288 -4.334 2.977 1.00 2.25 C ATOM 1818 O SER A 117 11.846 -4.446 4.069 1.00 41.33 O ATOM 1819 CB SER A 117 12.353 -5.277 0.919 1.00 34.02 C ATOM 1820 OG SER A 117 12.648 -6.486 0.242 1.00 72.13 O ATOM 0 H SER A 117 9.964 -5.492 0.347 1.00 5.41 H new ATOM 0 HA SER A 117 11.487 -6.413 2.525 1.00 70.42 H new ATOM 0 HB2 SER A 117 12.017 -4.528 0.202 1.00 34.02 H new ATOM 0 HB3 SER A 117 13.258 -4.888 1.386 1.00 34.02 H new ATOM 0 HG SER A 117 13.338 -6.322 -0.434 1.00 72.13 H new ATOM 1826 N GLN A 118 10.670 -3.223 2.590 1.00 13.13 N ATOM 1827 CA GLN A 118 10.611 -2.044 3.446 1.00 12.04 C ATOM 1828 C GLN A 118 9.191 -1.807 3.949 1.00 54.51 C ATOM 1829 O GLN A 118 8.559 -0.807 3.607 1.00 15.33 O ATOM 1830 CB GLN A 118 11.109 -0.812 2.689 1.00 61.13 C ATOM 1831 CG GLN A 118 10.540 -0.691 1.284 1.00 4.52 C ATOM 1832 CD GLN A 118 11.576 -0.958 0.210 1.00 2.30 C ATOM 1833 OE1 GLN A 118 12.366 -2.008 0.398 1.00 14.23 O flip ATOM 1834 NE2 GLN A 118 11.666 -0.228 -0.778 1.00 65.25 N flip ATOM 0 H GLN A 118 10.203 -3.114 1.690 1.00 13.13 H new ATOM 0 HA GLN A 118 11.257 -2.218 4.306 1.00 12.04 H new ATOM 0 HB2 GLN A 118 10.849 0.082 3.256 1.00 61.13 H new ATOM 0 HB3 GLN A 118 12.197 -0.847 2.630 1.00 61.13 H new ATOM 0 HG2 GLN A 118 9.714 -1.393 1.169 1.00 4.52 H new ATOM 0 HG3 GLN A 118 10.130 0.310 1.147 1.00 4.52 H new ATOM 0 HE21 GLN A 118 11.038 0.569 -0.882 1.00 65.25 H new ATOM 0 HE22 GLN A 118 12.369 -0.420 -1.492 1.00 65.25 H new ATOM 1843 N LYS A 119 8.693 -2.732 4.762 1.00 65.40 N ATOM 1844 CA LYS A 119 7.348 -2.625 5.313 1.00 11.42 C ATOM 1845 C LYS A 119 7.385 -2.595 6.838 1.00 62.22 C ATOM 1846 O LYS A 119 6.384 -2.295 7.488 1.00 74.34 O ATOM 1847 CB LYS A 119 6.484 -3.794 4.836 1.00 31.10 C ATOM 1848 CG LYS A 119 5.021 -3.667 5.224 1.00 72.32 C ATOM 1849 CD LYS A 119 4.202 -4.836 4.701 1.00 1.22 C ATOM 1850 CE LYS A 119 3.069 -5.191 5.651 1.00 33.32 C ATOM 1851 NZ LYS A 119 1.941 -5.859 4.944 1.00 40.00 N ATOM 0 H LYS A 119 9.202 -3.566 5.054 1.00 65.40 H new ATOM 0 HA LYS A 119 6.911 -1.691 4.959 1.00 11.42 H new ATOM 0 HB2 LYS A 119 6.558 -3.871 3.751 1.00 31.10 H new ATOM 0 HB3 LYS A 119 6.882 -4.721 5.249 1.00 31.10 H new ATOM 0 HG2 LYS A 119 4.934 -3.618 6.309 1.00 72.32 H new ATOM 0 HG3 LYS A 119 4.619 -2.734 4.829 1.00 72.32 H new ATOM 0 HD2 LYS A 119 3.793 -4.586 3.722 1.00 1.22 H new ATOM 0 HD3 LYS A 119 4.849 -5.703 4.564 1.00 1.22 H new ATOM 0 HE2 LYS A 119 3.445 -5.847 6.436 1.00 33.32 H new ATOM 0 HE3 LYS A 119 2.707 -4.286 6.139 1.00 33.32 H new ATOM 0 HZ1 LYS A 119 1.189 -6.085 5.626 1.00 40.00 H new ATOM 0 HZ2 LYS A 119 1.565 -5.223 4.212 1.00 40.00 H new ATOM 0 HZ3 LYS A 119 2.280 -6.736 4.500 1.00 40.00 H new ATOM 1865 N VAL A 120 8.547 -2.907 7.403 1.00 62.20 N ATOM 1866 CA VAL A 120 8.716 -2.914 8.851 1.00 14.12 C ATOM 1867 C VAL A 120 8.607 -1.505 9.424 1.00 65.14 C ATOM 1868 O VAL A 120 8.340 -1.325 10.611 1.00 51.22 O ATOM 1869 CB VAL A 120 10.074 -3.518 9.256 1.00 54.34 C ATOM 1870 CG1 VAL A 120 11.213 -2.613 8.813 1.00 4.35 C ATOM 1871 CG2 VAL A 120 10.124 -3.757 10.757 1.00 32.30 C ATOM 0 H VAL A 120 9.386 -3.158 6.880 1.00 62.20 H new ATOM 0 HA VAL A 120 7.916 -3.532 9.259 1.00 14.12 H new ATOM 0 HB VAL A 120 10.189 -4.479 8.755 1.00 54.34 H new ATOM 0 HG11 VAL A 120 12.165 -3.055 9.107 1.00 4.35 H new ATOM 0 HG12 VAL A 120 11.186 -2.498 7.729 1.00 4.35 H new ATOM 0 HG13 VAL A 120 11.106 -1.636 9.284 1.00 4.35 H new ATOM 0 HG21 VAL A 120 11.090 -4.184 11.025 1.00 32.30 H new ATOM 0 HG22 VAL A 120 9.987 -2.811 11.281 1.00 32.30 H new ATOM 0 HG23 VAL A 120 9.330 -4.448 11.042 1.00 32.30 H new ATOM 1881 N GLY A 121 8.817 -0.507 8.570 1.00 63.52 N ATOM 1882 CA GLY A 121 8.739 0.874 9.009 1.00 73.51 C ATOM 1883 C GLY A 121 9.399 1.830 8.036 1.00 72.25 C ATOM 1884 O GLY A 121 10.360 2.514 8.382 1.00 3.45 O ATOM 0 H GLY A 121 9.040 -0.631 7.582 1.00 63.52 H new ATOM 0 HA2 GLY A 121 7.693 1.153 9.135 1.00 73.51 H new ATOM 0 HA3 GLY A 121 9.214 0.969 9.985 1.00 73.51 H new ATOM 1888 N GLY A 122 8.882 1.876 6.811 1.00 1.22 N ATOM 1889 CA GLY A 122 9.442 2.757 5.803 1.00 55.31 C ATOM 1890 C GLY A 122 8.475 3.025 4.666 1.00 10.44 C ATOM 1891 O GLY A 122 8.211 4.179 4.325 1.00 41.12 O ATOM 0 H GLY A 122 8.086 1.319 6.500 1.00 1.22 H new ATOM 0 HA2 GLY A 122 9.724 3.702 6.267 1.00 55.31 H new ATOM 0 HA3 GLY A 122 10.354 2.314 5.403 1.00 55.31 H new ATOM 1895 N LEU A 123 7.946 1.958 4.078 1.00 44.45 N ATOM 1896 CA LEU A 123 7.004 2.083 2.971 1.00 41.52 C ATOM 1897 C LEU A 123 5.589 1.729 3.417 1.00 24.24 C ATOM 1898 O LEU A 123 4.610 2.189 2.832 1.00 42.32 O ATOM 1899 CB LEU A 123 7.427 1.180 1.811 1.00 54.11 C ATOM 1900 CG LEU A 123 7.414 1.821 0.422 1.00 24.45 C ATOM 1901 CD1 LEU A 123 8.317 3.044 0.391 1.00 64.20 C ATOM 1902 CD2 LEU A 123 7.842 0.812 -0.634 1.00 2.12 C ATOM 0 H LEU A 123 8.153 0.997 4.349 1.00 44.45 H new ATOM 0 HA LEU A 123 7.010 3.120 2.636 1.00 41.52 H new ATOM 0 HB2 LEU A 123 8.434 0.813 2.011 1.00 54.11 H new ATOM 0 HB3 LEU A 123 6.769 0.311 1.794 1.00 54.11 H new ATOM 0 HG LEU A 123 6.396 2.141 0.199 1.00 24.45 H new ATOM 0 HD11 LEU A 123 8.295 3.487 -0.605 1.00 64.20 H new ATOM 0 HD12 LEU A 123 7.966 3.774 1.121 1.00 64.20 H new ATOM 0 HD13 LEU A 123 9.338 2.749 0.635 1.00 64.20 H new ATOM 0 HD21 LEU A 123 7.827 1.285 -1.616 1.00 2.12 H new ATOM 0 HD22 LEU A 123 8.851 0.462 -0.415 1.00 2.12 H new ATOM 0 HD23 LEU A 123 7.155 -0.034 -0.628 1.00 2.12 H new ATOM 1914 N GLU A 124 5.491 0.909 4.459 1.00 2.14 N ATOM 1915 CA GLU A 124 4.196 0.494 4.985 1.00 52.51 C ATOM 1916 C GLU A 124 3.316 1.706 5.282 1.00 61.44 C ATOM 1917 O GLU A 124 2.200 1.813 4.775 1.00 33.24 O ATOM 1918 CB GLU A 124 4.379 -0.340 6.254 1.00 12.03 C ATOM 1919 CG GLU A 124 5.027 0.424 7.397 1.00 63.14 C ATOM 1920 CD GLU A 124 4.175 0.432 8.651 1.00 25.20 C ATOM 1921 OE1 GLU A 124 3.001 0.849 8.567 1.00 22.13 O ATOM 1922 OE2 GLU A 124 4.682 0.022 9.716 1.00 65.52 O ATOM 0 H GLU A 124 6.293 0.519 4.955 1.00 2.14 H new ATOM 0 HA GLU A 124 3.703 -0.115 4.227 1.00 52.51 H new ATOM 0 HB2 GLU A 124 3.406 -0.708 6.580 1.00 12.03 H new ATOM 0 HB3 GLU A 124 4.988 -1.213 6.020 1.00 12.03 H new ATOM 0 HG2 GLU A 124 5.996 -0.021 7.623 1.00 63.14 H new ATOM 0 HG3 GLU A 124 5.214 1.451 7.083 1.00 63.14 H new TER 1929 GLU A 124