USER MOD reduce.3.24.130724 H: found=0, std=0, add=1142, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 967 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 103 MET CE :methyl -172:sc= -1.33 (180deg=-1.35) USER MOD Set 1.2: A 117 MET CE :methyl -178:sc= -0.714 (180deg=-0.745) USER MOD Set 2.1: A 79 TYR OH : rot 105:sc= 2.46 USER MOD Set 2.2: A 106 HIS : no HE2:sc= 0.74 K(o=5.2,f=-4.2!) USER MOD Set 2.3: A 107 CYS SG : rot 72:sc= 2.01 USER MOD Set 3.1: A 84 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0619) USER MOD Set 3.2: A 92 THR OG1 : rot 83:sc= 0.00553 USER MOD Set 3.3: A 95 ASN : amide:sc= -0.928 K(o=-0.92,f=-7.9!) USER MOD Set 4.1: A 77 TYR OH : rot 165:sc= 0.194 USER MOD Set 4.2: A 110 ASN :FLIP amide:sc= 1.14 F(o=-0.6!,f=1.3) USER MOD Set 5.1: A 16 TYR OH : rot 180:sc= 0.684 USER MOD Set 5.2: A 133 SER OG : rot 165:sc= 0.759 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot -88:sc= -0.234 USER MOD Single : A 26 LYS NZ :NH3+ 149:sc= 1.18 (180deg=0.234) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00201 USER MOD Single : A 29 SER OG : rot 100:sc= 0.209 USER MOD Single : A 32 HIS : no HD1:sc= -0.788 K(o=-0.79,f=-1.4) USER MOD Single : A 33 CYS SG : rot 170:sc= -1.61 USER MOD Single : A 35 SER OG : rot 160:sc= 0 USER MOD Single : A 38 CYS SG : rot 45:sc= 0.549 USER MOD Single : A 40 MET CE :methyl 168:sc= -0.834 (180deg=-1.09) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= -0.0196 (180deg=-0.153) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.291 K(o=-0.29,f=-1.5!) USER MOD Single : A 61 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.64) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= 1.14 (180deg=0.852) USER MOD Single : A 65 SER OG : rot 43:sc= 0.038 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -84:sc= 0.912 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -20:sc= 0.0335 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -0.154 F(o=-0.84,f=-0.15) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 120:sc= 1.05 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 83:sc= 0.874 USER MOD Single : A 104 LYS NZ :NH3+ 170:sc= 0.715 (180deg=0.66) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -163:sc= -0.0588 (180deg=-0.323) USER MOD Single : A 113 THR OG1 : rot 72:sc= 1.17 USER MOD Single : A 116 SER OG : rot 180:sc= -0.0327 USER MOD Single : A 122 CYS SG : rot -64:sc= -1.58! USER MOD Single : A 128 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.66) USER MOD Single : A 131 ASN :FLIP amide:sc= -0.625 F(o=-2.6!,f=-0.63) USER MOD Single : A 135 MET CE :methyl 166:sc= -0.0564 (180deg=-0.322) USER MOD Single : A 143 THR OG1 : rot -9:sc= 1.2 USER MOD Single : A 146 LYS NZ :NH3+ -158:sc= 1.26 (180deg=1.18) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N ARG A 13 -14.439 0.896 0.851 1.00 24.24 N ATOM 126 CA ARG A 13 -13.178 0.361 1.355 1.00 31.25 C ATOM 127 C ARG A 13 -12.207 0.308 0.214 1.00 4.11 C ATOM 128 O ARG A 13 -11.228 1.025 0.192 1.00 21.11 O ATOM 129 CB ARG A 13 -13.300 -1.049 1.979 1.00 75.35 C ATOM 130 CG ARG A 13 -14.192 -1.187 3.213 1.00 51.53 C ATOM 131 CD ARG A 13 -15.663 -1.019 2.889 1.00 22.34 C ATOM 132 NE ARG A 13 -16.119 -1.995 1.883 1.00 2.04 N ATOM 133 CZ ARG A 13 -17.372 -2.104 1.433 1.00 73.12 C ATOM 134 NH1 ARG A 13 -18.318 -1.271 1.866 1.00 63.42 N ATOM 135 NH2 ARG A 13 -17.665 -3.049 0.538 1.00 13.42 N ATOM 0 HA ARG A 13 -12.842 1.021 2.155 1.00 31.25 H new ATOM 0 HB2 ARG A 13 -13.675 -1.727 1.213 1.00 75.35 H new ATOM 0 HB3 ARG A 13 -12.299 -1.390 2.245 1.00 75.35 H new ATOM 0 HG2 ARG A 13 -14.033 -2.166 3.665 1.00 51.53 H new ATOM 0 HG3 ARG A 13 -13.899 -0.443 3.954 1.00 51.53 H new ATOM 0 HD2 ARG A 13 -16.251 -1.135 3.800 1.00 22.34 H new ATOM 0 HD3 ARG A 13 -15.841 -0.008 2.521 1.00 22.34 H new ATOM 0 HE ARG A 13 -15.424 -2.637 1.501 1.00 2.04 H new ATOM 0 HH11 ARG A 13 -18.087 -0.545 2.545 1.00 63.42 H new ATOM 0 HH12 ARG A 13 -19.273 -1.359 1.519 1.00 63.42 H new ATOM 0 HH21 ARG A 13 -16.936 -3.679 0.204 1.00 13.42 H new ATOM 0 HH22 ARG A 13 -18.618 -3.141 0.187 1.00 13.42 H new ATOM 147 N ILE A 14 -12.506 -0.521 -0.749 1.00 32.55 N ATOM 148 CA ILE A 14 -11.695 -0.612 -1.911 1.00 53.33 C ATOM 149 C ILE A 14 -12.398 0.038 -3.091 1.00 74.44 C ATOM 150 O ILE A 14 -13.587 -0.189 -3.333 1.00 60.24 O ATOM 151 CB ILE A 14 -11.259 -2.073 -2.234 1.00 13.04 C ATOM 152 CG1 ILE A 14 -10.370 -2.610 -1.100 1.00 73.13 C ATOM 153 CG2 ILE A 14 -10.521 -2.142 -3.569 1.00 12.35 C ATOM 154 CD1 ILE A 14 -9.889 -4.029 -1.298 1.00 22.32 C ATOM 0 H ILE A 14 -13.314 -1.144 -0.742 1.00 32.55 H new ATOM 0 HA ILE A 14 -10.773 -0.067 -1.709 1.00 53.33 H new ATOM 0 HB ILE A 14 -12.152 -2.693 -2.314 1.00 13.04 H new ATOM 0 HG12 ILE A 14 -9.503 -1.957 -0.995 1.00 73.13 H new ATOM 0 HG13 ILE A 14 -10.925 -2.555 -0.164 1.00 73.13 H new ATOM 0 HG21 ILE A 14 -10.228 -3.172 -3.770 1.00 12.35 H new ATOM 0 HG22 ILE A 14 -11.176 -1.789 -4.366 1.00 12.35 H new ATOM 0 HG23 ILE A 14 -9.631 -1.514 -3.526 1.00 12.35 H new ATOM 0 HD11 ILE A 14 -9.269 -4.325 -0.451 1.00 22.32 H new ATOM 0 HD12 ILE A 14 -10.747 -4.697 -1.371 1.00 22.32 H new ATOM 0 HD13 ILE A 14 -9.303 -4.090 -2.215 1.00 22.32 H new ATOM 161 N THR A 15 -11.682 0.889 -3.754 1.00 33.15 N ATOM 162 CA THR A 15 -12.132 1.556 -4.928 1.00 73.11 C ATOM 163 C THR A 15 -11.305 1.034 -6.098 1.00 13.01 C ATOM 164 O THR A 15 -10.084 1.192 -6.117 1.00 63.04 O ATOM 165 CB THR A 15 -11.919 3.079 -4.782 1.00 54.10 C ATOM 166 OG1 THR A 15 -12.565 3.532 -3.577 1.00 32.53 O ATOM 167 CG2 THR A 15 -12.489 3.834 -5.983 1.00 74.52 C ATOM 0 H THR A 15 -10.734 1.146 -3.480 1.00 33.15 H new ATOM 0 HA THR A 15 -13.194 1.370 -5.090 1.00 73.11 H new ATOM 0 HB THR A 15 -10.848 3.277 -4.733 1.00 54.10 H new ATOM 0 HG1 THR A 15 -12.432 4.498 -3.478 1.00 32.53 H new ATOM 0 HG21 THR A 15 -12.324 4.903 -5.852 1.00 74.52 H new ATOM 0 HG22 THR A 15 -11.991 3.499 -6.893 1.00 74.52 H new ATOM 0 HG23 THR A 15 -13.558 3.639 -6.061 1.00 74.52 H new ATOM 173 N TYR A 16 -11.947 0.383 -7.029 1.00 41.22 N ATOM 174 CA TYR A 16 -11.255 -0.159 -8.171 1.00 5.12 C ATOM 175 C TYR A 16 -11.207 0.858 -9.287 1.00 15.53 C ATOM 176 O TYR A 16 -12.250 1.360 -9.738 1.00 14.43 O ATOM 177 CB TYR A 16 -11.917 -1.451 -8.669 1.00 11.31 C ATOM 178 CG TYR A 16 -11.931 -2.574 -7.658 1.00 24.41 C ATOM 179 CD1 TYR A 16 -10.793 -3.326 -7.426 1.00 52.24 C ATOM 180 CD2 TYR A 16 -13.079 -2.884 -6.945 1.00 44.11 C ATOM 181 CE1 TYR A 16 -10.789 -4.360 -6.515 1.00 4.14 C ATOM 182 CE2 TYR A 16 -13.088 -3.914 -6.027 1.00 11.32 C ATOM 183 CZ TYR A 16 -11.940 -4.649 -5.815 1.00 70.45 C ATOM 184 OH TYR A 16 -11.955 -5.693 -4.909 1.00 4.42 O ATOM 0 H TYR A 16 -12.953 0.213 -7.021 1.00 41.22 H new ATOM 0 HA TYR A 16 -10.239 -0.399 -7.858 1.00 5.12 H new ATOM 0 HB2 TYR A 16 -12.943 -1.230 -8.962 1.00 11.31 H new ATOM 0 HB3 TYR A 16 -11.396 -1.790 -9.564 1.00 11.31 H new ATOM 0 HD1 TYR A 16 -9.889 -3.098 -7.970 1.00 52.24 H new ATOM 0 HD2 TYR A 16 -13.979 -2.311 -7.111 1.00 44.11 H new ATOM 0 HE1 TYR A 16 -9.892 -4.939 -6.351 1.00 4.14 H new ATOM 0 HE2 TYR A 16 -13.989 -4.144 -5.477 1.00 11.32 H new ATOM 0 HH TYR A 16 -12.844 -5.760 -4.502 1.00 4.42 H new ATOM 194 N VAL A 17 -10.024 1.206 -9.686 1.00 54.21 N ATOM 195 CA VAL A 17 -9.825 2.092 -10.795 1.00 15.14 C ATOM 196 C VAL A 17 -8.802 1.486 -11.731 1.00 52.25 C ATOM 197 O VAL A 17 -7.815 0.907 -11.289 1.00 21.14 O ATOM 198 CB VAL A 17 -9.414 3.522 -10.338 1.00 32.00 C ATOM 199 CG1 VAL A 17 -8.155 3.500 -9.503 1.00 74.23 C ATOM 200 CG2 VAL A 17 -9.260 4.467 -11.521 1.00 44.12 C ATOM 0 H VAL A 17 -9.161 0.882 -9.249 1.00 54.21 H new ATOM 0 HA VAL A 17 -10.770 2.210 -11.325 1.00 15.14 H new ATOM 0 HB VAL A 17 -10.223 3.899 -9.712 1.00 32.00 H new ATOM 0 HG11 VAL A 17 -7.900 4.516 -9.203 1.00 74.23 H new ATOM 0 HG12 VAL A 17 -8.318 2.889 -8.615 1.00 74.23 H new ATOM 0 HG13 VAL A 17 -7.338 3.078 -10.088 1.00 74.23 H new ATOM 0 HG21 VAL A 17 -8.973 5.455 -11.162 1.00 44.12 H new ATOM 0 HG22 VAL A 17 -8.490 4.087 -12.193 1.00 44.12 H new ATOM 0 HG23 VAL A 17 -10.207 4.537 -12.057 1.00 44.12 H new ATOM 206 N LYS A 18 -9.042 1.585 -12.993 1.00 52.21 N ATOM 207 CA LYS A 18 -8.164 1.017 -13.965 1.00 10.43 C ATOM 208 C LYS A 18 -7.196 2.037 -14.465 1.00 31.41 C ATOM 209 O LYS A 18 -7.578 3.046 -15.051 1.00 53.24 O ATOM 210 CB LYS A 18 -8.948 0.381 -15.086 1.00 52.35 C ATOM 211 CG LYS A 18 -9.758 -0.804 -14.616 1.00 41.14 C ATOM 212 CD LYS A 18 -10.667 -1.361 -15.697 1.00 45.50 C ATOM 213 CE LYS A 18 -9.886 -1.880 -16.892 1.00 53.21 C ATOM 214 NZ LYS A 18 -10.775 -2.419 -17.936 1.00 73.33 N ATOM 0 H LYS A 18 -9.854 2.063 -13.384 1.00 52.21 H new ATOM 0 HA LYS A 18 -7.582 0.227 -13.489 1.00 10.43 H new ATOM 0 HB2 LYS A 18 -9.614 1.122 -15.527 1.00 52.35 H new ATOM 0 HB3 LYS A 18 -8.262 0.062 -15.871 1.00 52.35 H new ATOM 0 HG2 LYS A 18 -9.082 -1.589 -14.276 1.00 41.14 H new ATOM 0 HG3 LYS A 18 -10.361 -0.509 -13.757 1.00 41.14 H new ATOM 0 HD2 LYS A 18 -11.271 -2.168 -15.282 1.00 45.50 H new ATOM 0 HD3 LYS A 18 -11.357 -0.584 -16.026 1.00 45.50 H new ATOM 0 HE2 LYS A 18 -9.283 -1.074 -17.309 1.00 53.21 H new ATOM 0 HE3 LYS A 18 -9.196 -2.658 -16.565 1.00 53.21 H new ATOM 0 HZ1 LYS A 18 -10.204 -2.763 -18.734 1.00 73.33 H new ATOM 0 HZ2 LYS A 18 -11.333 -3.205 -17.545 1.00 73.33 H new ATOM 0 HZ3 LYS A 18 -11.416 -1.670 -18.266 1.00 73.33 H new ATOM 228 N GLY A 19 -5.963 1.771 -14.220 1.00 34.42 N ATOM 229 CA GLY A 19 -4.907 2.660 -14.595 1.00 12.31 C ATOM 230 C GLY A 19 -3.658 2.340 -13.834 1.00 71.32 C ATOM 231 O GLY A 19 -3.633 1.363 -13.089 1.00 11.32 O ATOM 0 H GLY A 19 -5.649 0.923 -13.749 1.00 34.42 H new ATOM 0 HA2 GLY A 19 -4.719 2.579 -15.666 1.00 12.31 H new ATOM 0 HA3 GLY A 19 -5.205 3.690 -14.401 1.00 12.31 H new ATOM 235 N ASP A 20 -2.633 3.144 -14.004 1.00 73.11 N ATOM 236 CA ASP A 20 -1.373 2.922 -13.340 1.00 24.34 C ATOM 237 C ASP A 20 -1.421 3.531 -11.956 1.00 2.12 C ATOM 238 O ASP A 20 -1.979 4.617 -11.773 1.00 21.42 O ATOM 239 CB ASP A 20 -0.235 3.582 -14.114 1.00 43.51 C ATOM 240 CG ASP A 20 -0.091 3.102 -15.535 1.00 13.22 C ATOM 241 OD1 ASP A 20 0.378 1.965 -15.755 1.00 11.52 O ATOM 242 OD2 ASP A 20 -0.417 3.876 -16.457 1.00 53.05 O ATOM 0 H ASP A 20 -2.651 3.968 -14.605 1.00 73.11 H new ATOM 0 HA ASP A 20 -1.199 1.848 -13.283 1.00 24.34 H new ATOM 0 HB2 ASP A 20 -0.394 4.660 -14.122 1.00 43.51 H new ATOM 0 HB3 ASP A 20 0.701 3.401 -13.585 1.00 43.51 H new ATOM 247 N LEU A 21 -0.811 2.865 -10.988 1.00 60.11 N ATOM 248 CA LEU A 21 -0.817 3.321 -9.595 1.00 20.40 C ATOM 249 C LEU A 21 -0.138 4.678 -9.434 1.00 22.23 C ATOM 250 O LEU A 21 -0.520 5.482 -8.593 1.00 70.11 O ATOM 251 CB LEU A 21 -0.127 2.288 -8.700 1.00 43.01 C ATOM 252 CG LEU A 21 -0.062 2.608 -7.209 1.00 32.55 C ATOM 253 CD1 LEU A 21 -1.447 2.724 -6.617 1.00 5.41 C ATOM 254 CD2 LEU A 21 0.736 1.557 -6.484 1.00 40.45 C ATOM 0 H LEU A 21 -0.298 1.996 -11.138 1.00 60.11 H new ATOM 0 HA LEU A 21 -1.859 3.433 -9.294 1.00 20.40 H new ATOM 0 HB2 LEU A 21 -0.641 1.335 -8.821 1.00 43.01 H new ATOM 0 HB3 LEU A 21 0.891 2.149 -9.063 1.00 43.01 H new ATOM 0 HG LEU A 21 0.435 3.570 -7.089 1.00 32.55 H new ATOM 0 HD11 LEU A 21 -1.370 2.952 -5.554 1.00 5.41 H new ATOM 0 HD12 LEU A 21 -1.993 3.522 -7.121 1.00 5.41 H new ATOM 0 HD13 LEU A 21 -1.979 1.782 -6.748 1.00 5.41 H new ATOM 0 HD21 LEU A 21 0.774 1.798 -5.422 1.00 40.45 H new ATOM 0 HD22 LEU A 21 0.264 0.584 -6.619 1.00 40.45 H new ATOM 0 HD23 LEU A 21 1.749 1.527 -6.886 1.00 40.45 H new ATOM 262 N PHE A 22 0.843 4.936 -10.259 1.00 71.54 N ATOM 263 CA PHE A 22 1.611 6.169 -10.166 1.00 25.13 C ATOM 264 C PHE A 22 0.874 7.375 -10.754 1.00 11.00 C ATOM 265 O PHE A 22 1.373 8.492 -10.722 1.00 65.10 O ATOM 266 CB PHE A 22 3.007 5.987 -10.762 1.00 51.43 C ATOM 267 CG PHE A 22 3.781 4.926 -10.040 1.00 33.14 C ATOM 268 CD1 PHE A 22 4.350 5.194 -8.808 1.00 45.32 C ATOM 269 CD2 PHE A 22 3.906 3.651 -10.569 1.00 33.04 C ATOM 270 CE1 PHE A 22 5.037 4.218 -8.122 1.00 53.43 C ATOM 271 CE2 PHE A 22 4.584 2.674 -9.884 1.00 63.14 C ATOM 272 CZ PHE A 22 5.152 2.957 -8.659 1.00 10.13 C ATOM 0 H PHE A 22 1.137 4.311 -11.009 1.00 71.54 H new ATOM 0 HA PHE A 22 1.732 6.394 -9.106 1.00 25.13 H new ATOM 0 HB2 PHE A 22 2.922 5.722 -11.816 1.00 51.43 H new ATOM 0 HB3 PHE A 22 3.550 6.931 -10.713 1.00 51.43 H new ATOM 0 HD1 PHE A 22 4.254 6.181 -8.379 1.00 45.32 H new ATOM 0 HD2 PHE A 22 3.466 3.424 -11.529 1.00 33.04 H new ATOM 0 HE1 PHE A 22 5.484 4.442 -7.165 1.00 53.43 H new ATOM 0 HE2 PHE A 22 4.673 1.683 -10.304 1.00 63.14 H new ATOM 0 HZ PHE A 22 5.687 2.188 -8.122 1.00 10.13 H new ATOM 282 N ALA A 23 -0.320 7.144 -11.262 1.00 13.00 N ATOM 283 CA ALA A 23 -1.136 8.205 -11.823 1.00 70.42 C ATOM 284 C ALA A 23 -2.102 8.755 -10.764 1.00 43.44 C ATOM 285 O ALA A 23 -3.025 9.507 -11.079 1.00 71.31 O ATOM 286 CB ALA A 23 -1.904 7.686 -13.030 1.00 1.23 C ATOM 0 H ALA A 23 -0.751 6.220 -11.298 1.00 13.00 H new ATOM 0 HA ALA A 23 -0.485 9.018 -12.145 1.00 70.42 H new ATOM 0 HB1 ALA A 23 -2.514 8.488 -13.445 1.00 1.23 H new ATOM 0 HB2 ALA A 23 -1.201 7.336 -13.786 1.00 1.23 H new ATOM 0 HB3 ALA A 23 -2.548 6.861 -12.724 1.00 1.23 H new ATOM 292 N CYS A 24 -1.872 8.387 -9.520 1.00 41.01 N ATOM 293 CA CYS A 24 -2.713 8.806 -8.410 1.00 22.35 C ATOM 294 C CYS A 24 -2.440 10.269 -8.018 1.00 71.52 C ATOM 295 O CYS A 24 -1.368 10.808 -8.327 1.00 34.24 O ATOM 296 CB CYS A 24 -2.470 7.881 -7.211 1.00 13.10 C ATOM 297 SG CYS A 24 -0.741 7.763 -6.703 1.00 44.12 S ATOM 0 H CYS A 24 -1.094 7.787 -9.246 1.00 41.01 H new ATOM 0 HA CYS A 24 -3.755 8.738 -8.722 1.00 22.35 H new ATOM 0 HB2 CYS A 24 -3.061 8.236 -6.367 1.00 13.10 H new ATOM 0 HB3 CYS A 24 -2.833 6.883 -7.457 1.00 13.10 H new ATOM 0 HG CYS A 24 -0.156 6.814 -7.372 1.00 44.12 H new ATOM 303 N PRO A 25 -3.434 10.947 -7.385 1.00 12.42 N ATOM 304 CA PRO A 25 -3.269 12.313 -6.839 1.00 41.32 C ATOM 305 C PRO A 25 -2.118 12.407 -5.825 1.00 13.50 C ATOM 306 O PRO A 25 -1.621 11.390 -5.335 1.00 52.12 O ATOM 307 CB PRO A 25 -4.596 12.553 -6.123 1.00 44.45 C ATOM 308 CG PRO A 25 -5.562 11.723 -6.874 1.00 43.41 C ATOM 309 CD PRO A 25 -4.819 10.464 -7.196 1.00 1.33 C ATOM 0 HA PRO A 25 -3.031 13.036 -7.619 1.00 41.32 H new ATOM 0 HB2 PRO A 25 -4.544 12.256 -5.076 1.00 44.45 H new ATOM 0 HB3 PRO A 25 -4.875 13.606 -6.142 1.00 44.45 H new ATOM 0 HG2 PRO A 25 -6.451 11.516 -6.279 1.00 43.41 H new ATOM 0 HG3 PRO A 25 -5.896 12.228 -7.781 1.00 43.41 H new ATOM 0 HD2 PRO A 25 -4.888 9.735 -6.389 1.00 1.33 H new ATOM 0 HD3 PRO A 25 -5.207 9.983 -8.094 1.00 1.33 H new ATOM 317 N LYS A 26 -1.736 13.630 -5.487 1.00 42.24 N ATOM 318 CA LYS A 26 -0.593 13.873 -4.605 1.00 4.25 C ATOM 319 C LYS A 26 -0.863 13.459 -3.148 1.00 33.32 C ATOM 320 O LYS A 26 0.048 13.054 -2.434 1.00 53.34 O ATOM 321 CB LYS A 26 -0.171 15.340 -4.679 1.00 63.21 C ATOM 322 CG LYS A 26 1.040 15.690 -3.826 1.00 4.33 C ATOM 323 CD LYS A 26 1.379 17.161 -3.939 1.00 30.13 C ATOM 324 CE LYS A 26 2.613 17.521 -3.128 1.00 30.31 C ATOM 325 NZ LYS A 26 3.814 16.783 -3.580 1.00 21.52 N ATOM 0 H LYS A 26 -2.202 14.478 -5.810 1.00 42.24 H new ATOM 0 HA LYS A 26 0.223 13.243 -4.960 1.00 4.25 H new ATOM 0 HB2 LYS A 26 0.046 15.591 -5.717 1.00 63.21 H new ATOM 0 HB3 LYS A 26 -1.010 15.963 -4.370 1.00 63.21 H new ATOM 0 HG2 LYS A 26 0.840 15.439 -2.784 1.00 4.33 H new ATOM 0 HG3 LYS A 26 1.895 15.091 -4.140 1.00 4.33 H new ATOM 0 HD2 LYS A 26 1.545 17.416 -4.986 1.00 30.13 H new ATOM 0 HD3 LYS A 26 0.533 17.756 -3.596 1.00 30.13 H new ATOM 0 HE2 LYS A 26 2.797 18.593 -3.205 1.00 30.31 H new ATOM 0 HE3 LYS A 26 2.430 17.304 -2.076 1.00 30.31 H new ATOM 0 HZ1 LYS A 26 4.660 17.367 -3.423 1.00 21.52 H new ATOM 0 HZ2 LYS A 26 3.900 15.897 -3.042 1.00 21.52 H new ATOM 0 HZ3 LYS A 26 3.727 16.566 -4.593 1.00 21.52 H new ATOM 339 N THR A 27 -2.100 13.555 -2.717 1.00 63.44 N ATOM 340 CA THR A 27 -2.437 13.203 -1.351 1.00 50.42 C ATOM 341 C THR A 27 -2.579 11.697 -1.143 1.00 1.04 C ATOM 342 O THR A 27 -2.623 11.221 -0.002 1.00 73.11 O ATOM 343 CB THR A 27 -3.685 13.965 -0.838 1.00 72.42 C ATOM 344 OG1 THR A 27 -4.753 13.903 -1.810 1.00 4.51 O ATOM 345 CG2 THR A 27 -3.345 15.417 -0.534 1.00 2.44 C ATOM 0 H THR A 27 -2.886 13.871 -3.285 1.00 63.44 H new ATOM 0 HA THR A 27 -1.589 13.524 -0.746 1.00 50.42 H new ATOM 0 HB THR A 27 -4.017 13.485 0.082 1.00 72.42 H new ATOM 0 HG1 THR A 27 -5.534 14.388 -1.469 1.00 4.51 H new ATOM 0 HG21 THR A 27 -4.236 15.932 -0.175 1.00 2.44 H new ATOM 0 HG22 THR A 27 -2.570 15.457 0.232 1.00 2.44 H new ATOM 0 HG23 THR A 27 -2.985 15.904 -1.440 1.00 2.44 H new ATOM 351 N ASP A 28 -2.638 10.954 -2.228 1.00 5.53 N ATOM 352 CA ASP A 28 -2.741 9.509 -2.139 1.00 3.30 C ATOM 353 C ASP A 28 -1.447 8.871 -1.744 1.00 61.34 C ATOM 354 O ASP A 28 -0.421 9.015 -2.423 1.00 1.20 O ATOM 355 CB ASP A 28 -3.298 8.874 -3.404 1.00 31.24 C ATOM 356 CG ASP A 28 -4.787 9.021 -3.515 1.00 22.25 C ATOM 357 OD1 ASP A 28 -5.268 10.047 -4.035 1.00 24.45 O ATOM 358 OD2 ASP A 28 -5.503 8.097 -3.082 1.00 14.11 O ATOM 0 H ASP A 28 -2.617 11.323 -3.179 1.00 5.53 H new ATOM 0 HA ASP A 28 -3.461 9.317 -1.344 1.00 3.30 H new ATOM 0 HB2 ASP A 28 -2.826 9.330 -4.274 1.00 31.24 H new ATOM 0 HB3 ASP A 28 -3.039 7.815 -3.419 1.00 31.24 H new ATOM 363 N SER A 29 -1.493 8.174 -0.644 1.00 33.05 N ATOM 364 CA SER A 29 -0.353 7.486 -0.125 1.00 74.11 C ATOM 365 C SER A 29 -0.232 6.126 -0.795 1.00 32.15 C ATOM 366 O SER A 29 -1.226 5.438 -0.986 1.00 54.25 O ATOM 367 CB SER A 29 -0.490 7.351 1.383 1.00 14.30 C ATOM 368 OG SER A 29 -0.591 8.641 1.984 1.00 20.00 O ATOM 0 H SER A 29 -2.335 8.069 -0.078 1.00 33.05 H new ATOM 0 HA SER A 29 0.556 8.050 -0.337 1.00 74.11 H new ATOM 0 HB2 SER A 29 -1.373 6.759 1.624 1.00 14.30 H new ATOM 0 HB3 SER A 29 0.371 6.819 1.788 1.00 14.30 H new ATOM 0 HG SER A 29 -1.531 8.838 2.180 1.00 20.00 H new ATOM 374 N LEU A 30 0.975 5.748 -1.132 1.00 13.04 N ATOM 375 CA LEU A 30 1.233 4.529 -1.877 1.00 70.23 C ATOM 376 C LEU A 30 1.634 3.403 -0.945 1.00 35.22 C ATOM 377 O LEU A 30 2.469 3.591 -0.068 1.00 22.14 O ATOM 378 CB LEU A 30 2.354 4.775 -2.885 1.00 64.23 C ATOM 379 CG LEU A 30 2.086 5.843 -3.952 1.00 73.11 C ATOM 380 CD1 LEU A 30 3.382 6.266 -4.635 1.00 55.23 C ATOM 381 CD2 LEU A 30 1.159 5.272 -4.990 1.00 4.01 C ATOM 0 H LEU A 30 1.816 6.277 -0.899 1.00 13.04 H new ATOM 0 HA LEU A 30 0.320 4.242 -2.398 1.00 70.23 H new ATOM 0 HB2 LEU A 30 3.252 5.058 -2.336 1.00 64.23 H new ATOM 0 HB3 LEU A 30 2.573 3.834 -3.390 1.00 64.23 H new ATOM 0 HG LEU A 30 1.641 6.714 -3.470 1.00 73.11 H new ATOM 0 HD11 LEU A 30 3.166 7.024 -5.388 1.00 55.23 H new ATOM 0 HD12 LEU A 30 4.067 6.676 -3.893 1.00 55.23 H new ATOM 0 HD13 LEU A 30 3.841 5.400 -5.113 1.00 55.23 H new ATOM 0 HD21 LEU A 30 0.961 6.024 -5.754 1.00 4.01 H new ATOM 0 HD22 LEU A 30 1.622 4.399 -5.450 1.00 4.01 H new ATOM 0 HD23 LEU A 30 0.221 4.979 -4.518 1.00 4.01 H new ATOM 389 N ALA A 31 1.053 2.248 -1.136 1.00 22.01 N ATOM 390 CA ALA A 31 1.372 1.089 -0.324 1.00 62.13 C ATOM 391 C ALA A 31 1.747 -0.090 -1.205 1.00 10.05 C ATOM 392 O ALA A 31 1.315 -0.169 -2.352 1.00 3.55 O ATOM 393 CB ALA A 31 0.201 0.726 0.569 1.00 3.21 C ATOM 0 H ALA A 31 0.348 2.078 -1.853 1.00 22.01 H new ATOM 0 HA ALA A 31 2.225 1.337 0.307 1.00 62.13 H new ATOM 0 HB1 ALA A 31 0.459 -0.146 1.171 1.00 3.21 H new ATOM 0 HB2 ALA A 31 -0.030 1.565 1.226 1.00 3.21 H new ATOM 0 HB3 ALA A 31 -0.669 0.497 -0.047 1.00 3.21 H new ATOM 399 N HIS A 32 2.586 -0.974 -0.681 1.00 51.12 N ATOM 400 CA HIS A 32 2.994 -2.199 -1.375 1.00 23.22 C ATOM 401 C HIS A 32 3.700 -3.134 -0.416 1.00 44.23 C ATOM 402 O HIS A 32 4.246 -2.692 0.597 1.00 32.41 O ATOM 403 CB HIS A 32 3.871 -1.924 -2.630 1.00 25.01 C ATOM 404 CG HIS A 32 5.155 -1.170 -2.388 1.00 55.04 C ATOM 405 ND1 HIS A 32 6.414 -1.736 -2.537 1.00 51.23 N ATOM 406 CD2 HIS A 32 5.371 0.133 -2.091 1.00 72.33 C ATOM 407 CE1 HIS A 32 7.327 -0.820 -2.353 1.00 73.22 C ATOM 408 NE2 HIS A 32 6.726 0.323 -2.079 1.00 32.45 N ATOM 0 H HIS A 32 3.007 -0.865 0.242 1.00 51.12 H new ATOM 0 HA HIS A 32 2.084 -2.677 -1.738 1.00 23.22 H new ATOM 0 HB2 HIS A 32 4.116 -2.879 -3.094 1.00 25.01 H new ATOM 0 HB3 HIS A 32 3.274 -1.364 -3.350 1.00 25.01 H new ATOM 0 HD2 HIS A 32 4.616 0.881 -1.900 1.00 72.33 H new ATOM 0 HE1 HIS A 32 8.394 -0.972 -2.415 1.00 73.22 H new ATOM 0 HE2 HIS A 32 7.197 1.207 -1.889 1.00 32.45 H new ATOM 417 N CYS A 33 3.695 -4.402 -0.734 1.00 15.44 N ATOM 418 CA CYS A 33 4.279 -5.403 0.124 1.00 52.42 C ATOM 419 C CYS A 33 5.664 -5.799 -0.353 1.00 3.43 C ATOM 420 O CYS A 33 5.924 -5.844 -1.561 1.00 52.24 O ATOM 421 CB CYS A 33 3.385 -6.635 0.146 1.00 2.03 C ATOM 422 SG CYS A 33 1.692 -6.304 0.652 1.00 22.32 S ATOM 0 H CYS A 33 3.287 -4.771 -1.593 1.00 15.44 H new ATOM 0 HA CYS A 33 4.368 -4.982 1.126 1.00 52.42 H new ATOM 0 HB2 CYS A 33 3.375 -7.081 -0.848 1.00 2.03 H new ATOM 0 HB3 CYS A 33 3.817 -7.373 0.822 1.00 2.03 H new ATOM 0 HG CYS A 33 0.961 -7.357 0.436 1.00 22.32 H new ATOM 428 N ILE A 34 6.544 -6.050 0.595 1.00 35.35 N ATOM 429 CA ILE A 34 7.886 -6.552 0.342 1.00 32.14 C ATOM 430 C ILE A 34 8.293 -7.447 1.504 1.00 15.15 C ATOM 431 O ILE A 34 7.554 -7.560 2.486 1.00 10.32 O ATOM 432 CB ILE A 34 8.968 -5.431 0.146 1.00 13.52 C ATOM 433 CG1 ILE A 34 9.001 -4.463 1.335 1.00 42.14 C ATOM 434 CG2 ILE A 34 8.791 -4.690 -1.182 1.00 4.23 C ATOM 435 CD1 ILE A 34 10.067 -3.394 1.218 1.00 64.13 C ATOM 0 H ILE A 34 6.345 -5.909 1.585 1.00 35.35 H new ATOM 0 HA ILE A 34 7.846 -7.098 -0.600 1.00 32.14 H new ATOM 0 HB ILE A 34 9.937 -5.928 0.105 1.00 13.52 H new ATOM 0 HG12 ILE A 34 8.027 -3.984 1.429 1.00 42.14 H new ATOM 0 HG13 ILE A 34 9.167 -5.031 2.250 1.00 42.14 H new ATOM 0 HG21 ILE A 34 9.560 -3.924 -1.276 1.00 4.23 H new ATOM 0 HG22 ILE A 34 8.879 -5.396 -2.007 1.00 4.23 H new ATOM 0 HG23 ILE A 34 7.807 -4.222 -1.209 1.00 4.23 H new ATOM 0 HD11 ILE A 34 10.031 -2.747 2.094 1.00 64.13 H new ATOM 0 HD12 ILE A 34 11.048 -3.864 1.155 1.00 64.13 H new ATOM 0 HD13 ILE A 34 9.890 -2.801 0.321 1.00 64.13 H new ATOM 442 N SER A 35 9.412 -8.100 1.394 1.00 22.22 N ATOM 443 CA SER A 35 9.892 -8.940 2.468 1.00 74.04 C ATOM 444 C SER A 35 10.794 -8.108 3.401 1.00 53.11 C ATOM 445 O SER A 35 11.194 -7.006 3.046 1.00 24.13 O ATOM 446 CB SER A 35 10.683 -10.106 1.885 1.00 33.51 C ATOM 447 OG SER A 35 9.902 -10.830 0.961 1.00 52.31 O ATOM 0 H SER A 35 10.016 -8.072 0.572 1.00 22.22 H new ATOM 0 HA SER A 35 9.048 -9.330 3.037 1.00 74.04 H new ATOM 0 HB2 SER A 35 11.581 -9.732 1.394 1.00 33.51 H new ATOM 0 HB3 SER A 35 11.010 -10.767 2.688 1.00 33.51 H new ATOM 0 HG SER A 35 10.489 -11.351 0.374 1.00 52.31 H new ATOM 453 N GLU A 36 11.127 -8.662 4.562 1.00 15.02 N ATOM 454 CA GLU A 36 11.986 -8.000 5.577 1.00 13.23 C ATOM 455 C GLU A 36 13.387 -7.770 5.003 1.00 2.34 C ATOM 456 O GLU A 36 14.060 -6.793 5.320 1.00 2.03 O ATOM 457 CB GLU A 36 12.015 -8.907 6.822 1.00 22.34 C ATOM 458 CG GLU A 36 12.683 -8.382 8.100 1.00 30.25 C ATOM 459 CD GLU A 36 14.192 -8.372 8.099 1.00 71.43 C ATOM 460 OE1 GLU A 36 14.791 -9.410 7.815 1.00 63.22 O ATOM 461 OE2 GLU A 36 14.796 -7.327 8.423 1.00 62.21 O ATOM 0 H GLU A 36 10.813 -9.591 4.842 1.00 15.02 H new ATOM 0 HA GLU A 36 11.593 -7.022 5.854 1.00 13.23 H new ATOM 0 HB2 GLU A 36 10.985 -9.163 7.069 1.00 22.34 H new ATOM 0 HB3 GLU A 36 12.516 -9.834 6.544 1.00 22.34 H new ATOM 0 HG2 GLU A 36 12.332 -7.366 8.279 1.00 30.25 H new ATOM 0 HG3 GLU A 36 12.344 -8.989 8.940 1.00 30.25 H new ATOM 468 N ASP A 37 13.779 -8.656 4.099 1.00 33.53 N ATOM 469 CA ASP A 37 15.086 -8.591 3.421 1.00 32.21 C ATOM 470 C ASP A 37 15.088 -7.404 2.417 1.00 43.31 C ATOM 471 O ASP A 37 16.109 -7.051 1.837 1.00 32.20 O ATOM 472 CB ASP A 37 15.325 -9.937 2.690 1.00 44.13 C ATOM 473 CG ASP A 37 16.728 -10.123 2.124 1.00 31.43 C ATOM 474 OD1 ASP A 37 17.609 -10.584 2.855 1.00 35.51 O ATOM 475 OD2 ASP A 37 16.944 -9.852 0.939 1.00 45.15 O ATOM 0 H ASP A 37 13.205 -9.447 3.807 1.00 33.53 H new ATOM 0 HA ASP A 37 15.888 -8.428 4.141 1.00 32.21 H new ATOM 0 HB2 ASP A 37 15.119 -10.752 3.384 1.00 44.13 H new ATOM 0 HB3 ASP A 37 14.606 -10.023 1.875 1.00 44.13 H new ATOM 480 N CYS A 38 13.900 -6.798 2.263 1.00 21.23 N ATOM 481 CA CYS A 38 13.643 -5.649 1.402 1.00 52.14 C ATOM 482 C CYS A 38 14.018 -5.916 -0.039 1.00 62.34 C ATOM 483 O CYS A 38 14.624 -5.068 -0.703 1.00 51.32 O ATOM 484 CB CYS A 38 14.321 -4.375 1.928 1.00 1.51 C ATOM 485 SG CYS A 38 13.884 -3.972 3.636 1.00 63.30 S ATOM 0 H CYS A 38 13.065 -7.113 2.757 1.00 21.23 H new ATOM 0 HA CYS A 38 12.566 -5.481 1.427 1.00 52.14 H new ATOM 0 HB2 CYS A 38 15.402 -4.494 1.857 1.00 1.51 H new ATOM 0 HB3 CYS A 38 14.049 -3.538 1.285 1.00 1.51 H new ATOM 0 HG CYS A 38 13.931 -5.049 4.362 1.00 63.30 H new ATOM 491 N ARG A 39 13.645 -7.092 -0.540 1.00 55.53 N ATOM 492 CA ARG A 39 13.850 -7.391 -1.939 1.00 30.23 C ATOM 493 C ARG A 39 12.785 -6.699 -2.747 1.00 31.41 C ATOM 494 O ARG A 39 11.755 -7.265 -3.102 1.00 21.13 O ATOM 495 CB ARG A 39 13.928 -8.888 -2.222 1.00 42.32 C ATOM 496 CG ARG A 39 15.059 -9.544 -1.476 1.00 20.42 C ATOM 497 CD ARG A 39 15.183 -11.025 -1.755 1.00 21.52 C ATOM 498 NE ARG A 39 16.209 -11.608 -0.886 1.00 3.43 N ATOM 499 CZ ARG A 39 16.539 -12.898 -0.807 1.00 1.01 C ATOM 500 NH1 ARG A 39 15.986 -13.793 -1.617 1.00 55.14 N ATOM 501 NH2 ARG A 39 17.443 -13.287 0.081 1.00 40.33 N ATOM 0 H ARG A 39 13.206 -7.838 -0.000 1.00 55.53 H new ATOM 0 HA ARG A 39 14.825 -7.007 -2.239 1.00 30.23 H new ATOM 0 HB2 ARG A 39 12.986 -9.360 -1.941 1.00 42.32 H new ATOM 0 HB3 ARG A 39 14.058 -9.048 -3.292 1.00 42.32 H new ATOM 0 HG2 ARG A 39 15.994 -9.052 -1.743 1.00 20.42 H new ATOM 0 HG3 ARG A 39 14.914 -9.394 -0.406 1.00 20.42 H new ATOM 0 HD2 ARG A 39 14.226 -11.518 -1.585 1.00 21.52 H new ATOM 0 HD3 ARG A 39 15.444 -11.187 -2.801 1.00 21.52 H new ATOM 0 HE ARG A 39 16.721 -10.964 -0.283 1.00 3.43 H new ATOM 0 HH11 ARG A 39 15.299 -13.497 -2.311 1.00 55.14 H new ATOM 0 HH12 ARG A 39 16.248 -14.776 -1.545 1.00 55.14 H new ATOM 0 HH21 ARG A 39 17.880 -12.602 0.697 1.00 40.33 H new ATOM 0 HH22 ARG A 39 17.701 -14.271 0.148 1.00 40.33 H new ATOM 513 N MET A 40 13.019 -5.440 -2.916 1.00 1.34 N ATOM 514 CA MET A 40 12.142 -4.529 -3.564 1.00 40.54 C ATOM 515 C MET A 40 12.505 -4.383 -5.034 1.00 20.23 C ATOM 516 O MET A 40 11.769 -3.804 -5.823 1.00 14.34 O ATOM 517 CB MET A 40 12.187 -3.216 -2.762 1.00 1.53 C ATOM 518 CG MET A 40 11.458 -2.027 -3.323 1.00 50.33 C ATOM 519 SD MET A 40 11.244 -0.734 -2.081 1.00 23.31 S ATOM 520 CE MET A 40 12.910 -0.587 -1.431 1.00 0.04 C ATOM 0 H MET A 40 13.876 -4.997 -2.586 1.00 1.34 H new ATOM 0 HA MET A 40 11.113 -4.887 -3.576 1.00 40.54 H new ATOM 0 HB2 MET A 40 11.786 -3.416 -1.768 1.00 1.53 H new ATOM 0 HB3 MET A 40 13.233 -2.938 -2.634 1.00 1.53 H new ATOM 0 HG2 MET A 40 12.011 -1.628 -4.173 1.00 50.33 H new ATOM 0 HG3 MET A 40 10.483 -2.340 -3.696 1.00 50.33 H new ATOM 0 HE1 MET A 40 12.982 0.309 -0.814 1.00 0.04 H new ATOM 0 HE2 MET A 40 13.143 -1.463 -0.826 1.00 0.04 H new ATOM 0 HE3 MET A 40 13.618 -0.517 -2.257 1.00 0.04 H new ATOM 530 N GLY A 41 13.613 -4.965 -5.406 1.00 24.41 N ATOM 531 CA GLY A 41 14.015 -4.962 -6.781 1.00 20.11 C ATOM 532 C GLY A 41 13.441 -6.165 -7.500 1.00 22.54 C ATOM 533 O GLY A 41 14.178 -7.027 -7.966 1.00 42.44 O ATOM 0 H GLY A 41 14.252 -5.447 -4.774 1.00 24.41 H new ATOM 0 HA2 GLY A 41 13.676 -4.046 -7.264 1.00 20.11 H new ATOM 0 HA3 GLY A 41 15.103 -4.974 -6.849 1.00 20.11 H new ATOM 537 N ALA A 42 12.119 -6.241 -7.554 1.00 0.43 N ATOM 538 CA ALA A 42 11.447 -7.362 -8.184 1.00 2.14 C ATOM 539 C ALA A 42 10.473 -6.925 -9.270 1.00 70.03 C ATOM 540 O ALA A 42 10.818 -6.897 -10.453 1.00 20.44 O ATOM 541 CB ALA A 42 10.772 -8.258 -7.148 1.00 75.45 C ATOM 0 H ALA A 42 11.491 -5.536 -7.167 1.00 0.43 H new ATOM 0 HA ALA A 42 12.217 -7.951 -8.682 1.00 2.14 H new ATOM 0 HB1 ALA A 42 10.278 -9.088 -7.652 1.00 75.45 H new ATOM 0 HB2 ALA A 42 11.522 -8.646 -6.459 1.00 75.45 H new ATOM 0 HB3 ALA A 42 10.034 -7.680 -6.592 1.00 75.45 H new ATOM 547 N GLY A 43 9.289 -6.567 -8.867 1.00 64.33 N ATOM 548 CA GLY A 43 8.260 -6.148 -9.816 1.00 32.42 C ATOM 549 C GLY A 43 7.945 -4.674 -9.699 1.00 42.22 C ATOM 550 O GLY A 43 8.826 -3.844 -9.820 1.00 30.44 O ATOM 0 H GLY A 43 8.997 -6.552 -7.890 1.00 64.33 H new ATOM 0 HA2 GLY A 43 8.592 -6.368 -10.831 1.00 32.42 H new ATOM 0 HA3 GLY A 43 7.352 -6.727 -9.645 1.00 32.42 H new ATOM 554 N ILE A 44 6.687 -4.349 -9.425 1.00 73.14 N ATOM 555 CA ILE A 44 6.242 -2.943 -9.257 1.00 25.32 C ATOM 556 C ILE A 44 7.030 -2.239 -8.141 1.00 53.34 C ATOM 557 O ILE A 44 7.176 -1.015 -8.123 1.00 51.35 O ATOM 558 CB ILE A 44 4.706 -2.845 -8.959 1.00 3.15 C ATOM 559 CG1 ILE A 44 4.282 -1.370 -8.748 1.00 32.21 C ATOM 560 CG2 ILE A 44 4.321 -3.713 -7.756 1.00 4.21 C ATOM 561 CD1 ILE A 44 2.839 -1.177 -8.356 1.00 71.40 C ATOM 0 H ILE A 44 5.941 -5.036 -9.311 1.00 73.14 H new ATOM 0 HA ILE A 44 6.439 -2.440 -10.204 1.00 25.32 H new ATOM 0 HB ILE A 44 4.167 -3.228 -9.825 1.00 3.15 H new ATOM 0 HG12 ILE A 44 4.915 -0.931 -7.977 1.00 32.21 H new ATOM 0 HG13 ILE A 44 4.471 -0.817 -9.668 1.00 32.21 H new ATOM 0 HG21 ILE A 44 3.250 -3.626 -7.572 1.00 4.21 H new ATOM 0 HG22 ILE A 44 4.570 -4.754 -7.964 1.00 4.21 H new ATOM 0 HG23 ILE A 44 4.869 -3.378 -6.875 1.00 4.21 H new ATOM 0 HD11 ILE A 44 2.635 -0.114 -8.231 1.00 71.40 H new ATOM 0 HD12 ILE A 44 2.193 -1.581 -9.136 1.00 71.40 H new ATOM 0 HD13 ILE A 44 2.644 -1.697 -7.418 1.00 71.40 H new ATOM 568 N ALA A 45 7.554 -3.030 -7.240 1.00 65.34 N ATOM 569 CA ALA A 45 8.334 -2.542 -6.146 1.00 31.25 C ATOM 570 C ALA A 45 9.580 -1.761 -6.648 1.00 3.43 C ATOM 571 O ALA A 45 10.043 -0.837 -5.988 1.00 44.33 O ATOM 572 CB ALA A 45 8.695 -3.699 -5.224 1.00 51.04 C ATOM 0 H ALA A 45 7.446 -4.044 -7.251 1.00 65.34 H new ATOM 0 HA ALA A 45 7.746 -1.828 -5.570 1.00 31.25 H new ATOM 0 HB1 ALA A 45 9.290 -3.327 -4.390 1.00 51.04 H new ATOM 0 HB2 ALA A 45 7.783 -4.159 -4.843 1.00 51.04 H new ATOM 0 HB3 ALA A 45 9.271 -4.440 -5.778 1.00 51.04 H new ATOM 578 N VAL A 46 10.066 -2.120 -7.857 1.00 14.34 N ATOM 579 CA VAL A 46 11.223 -1.454 -8.488 1.00 31.11 C ATOM 580 C VAL A 46 10.841 -0.029 -8.854 1.00 0.15 C ATOM 581 O VAL A 46 11.625 0.893 -8.704 1.00 30.52 O ATOM 582 CB VAL A 46 11.647 -2.165 -9.806 1.00 10.43 C ATOM 583 CG1 VAL A 46 12.899 -1.540 -10.404 1.00 20.34 C ATOM 584 CG2 VAL A 46 11.832 -3.643 -9.605 1.00 43.41 C ATOM 0 H VAL A 46 9.669 -2.874 -8.418 1.00 14.34 H new ATOM 0 HA VAL A 46 12.047 -1.486 -7.775 1.00 31.11 H new ATOM 0 HB VAL A 46 10.833 -2.025 -10.517 1.00 10.43 H new ATOM 0 HG11 VAL A 46 13.164 -2.063 -11.323 1.00 20.34 H new ATOM 0 HG12 VAL A 46 12.711 -0.490 -10.626 1.00 20.34 H new ATOM 0 HG13 VAL A 46 13.721 -1.619 -9.692 1.00 20.34 H new ATOM 0 HG21 VAL A 46 12.128 -4.104 -10.547 1.00 43.41 H new ATOM 0 HG22 VAL A 46 12.607 -3.814 -8.858 1.00 43.41 H new ATOM 0 HG23 VAL A 46 10.895 -4.084 -9.264 1.00 43.41 H new ATOM 590 N LEU A 47 9.614 0.130 -9.323 1.00 2.13 N ATOM 591 CA LEU A 47 9.089 1.425 -9.732 1.00 1.42 C ATOM 592 C LEU A 47 9.093 2.405 -8.569 1.00 30.21 C ATOM 593 O LEU A 47 9.359 3.591 -8.748 1.00 5.11 O ATOM 594 CB LEU A 47 7.689 1.259 -10.321 1.00 21.23 C ATOM 595 CG LEU A 47 7.601 0.451 -11.620 1.00 73.25 C ATOM 596 CD1 LEU A 47 6.155 0.194 -11.993 1.00 73.12 C ATOM 597 CD2 LEU A 47 8.279 1.210 -12.743 1.00 64.12 C ATOM 0 H LEU A 47 8.951 -0.637 -9.432 1.00 2.13 H new ATOM 0 HA LEU A 47 9.737 1.839 -10.505 1.00 1.42 H new ATOM 0 HB2 LEU A 47 7.056 0.780 -9.574 1.00 21.23 H new ATOM 0 HB3 LEU A 47 7.273 2.250 -10.503 1.00 21.23 H new ATOM 0 HG LEU A 47 8.101 -0.505 -11.465 1.00 73.25 H new ATOM 0 HD11 LEU A 47 6.115 -0.381 -12.918 1.00 73.12 H new ATOM 0 HD12 LEU A 47 5.668 -0.367 -11.195 1.00 73.12 H new ATOM 0 HD13 LEU A 47 5.641 1.145 -12.134 1.00 73.12 H new ATOM 0 HD21 LEU A 47 8.214 0.631 -13.664 1.00 64.12 H new ATOM 0 HD22 LEU A 47 7.785 2.171 -12.883 1.00 64.12 H new ATOM 0 HD23 LEU A 47 9.327 1.374 -12.491 1.00 64.12 H new ATOM 605 N PHE A 48 8.817 1.901 -7.381 1.00 61.24 N ATOM 606 CA PHE A 48 8.901 2.717 -6.184 1.00 61.11 C ATOM 607 C PHE A 48 10.348 2.988 -5.847 1.00 4.41 C ATOM 608 O PHE A 48 10.712 4.096 -5.531 1.00 23.23 O ATOM 609 CB PHE A 48 8.217 2.053 -4.993 1.00 73.01 C ATOM 610 CG PHE A 48 6.728 1.942 -5.095 1.00 51.15 C ATOM 611 CD1 PHE A 48 5.923 2.979 -4.666 1.00 71.35 C ATOM 612 CD2 PHE A 48 6.125 0.799 -5.592 1.00 2.32 C ATOM 613 CE1 PHE A 48 4.575 2.885 -4.732 1.00 33.43 C ATOM 614 CE2 PHE A 48 4.751 0.707 -5.650 1.00 35.04 C ATOM 615 CZ PHE A 48 3.978 1.763 -5.215 1.00 53.34 C ATOM 0 H PHE A 48 8.534 0.935 -7.219 1.00 61.24 H new ATOM 0 HA PHE A 48 8.383 3.654 -6.389 1.00 61.11 H new ATOM 0 HB2 PHE A 48 8.632 1.053 -4.867 1.00 73.01 H new ATOM 0 HB3 PHE A 48 8.463 2.616 -4.093 1.00 73.01 H new ATOM 0 HD1 PHE A 48 6.376 3.877 -4.273 1.00 71.35 H new ATOM 0 HD2 PHE A 48 6.734 -0.024 -5.936 1.00 2.32 H new ATOM 0 HE1 PHE A 48 3.966 3.711 -4.397 1.00 33.43 H new ATOM 0 HE2 PHE A 48 4.282 -0.187 -6.034 1.00 35.04 H new ATOM 0 HZ PHE A 48 2.901 1.699 -5.258 1.00 53.34 H new ATOM 625 N LYS A 49 11.163 1.953 -5.953 1.00 61.45 N ATOM 626 CA LYS A 49 12.600 2.018 -5.669 1.00 50.23 C ATOM 627 C LYS A 49 13.305 3.080 -6.546 1.00 1.10 C ATOM 628 O LYS A 49 14.249 3.752 -6.102 1.00 73.02 O ATOM 629 CB LYS A 49 13.211 0.626 -5.884 1.00 65.15 C ATOM 630 CG LYS A 49 14.700 0.529 -5.649 1.00 1.14 C ATOM 631 CD LYS A 49 15.200 -0.886 -5.878 1.00 3.23 C ATOM 632 CE LYS A 49 16.702 -0.960 -5.711 1.00 20.34 C ATOM 633 NZ LYS A 49 17.233 -2.326 -5.924 1.00 12.20 N ATOM 0 H LYS A 49 10.848 1.027 -6.242 1.00 61.45 H new ATOM 0 HA LYS A 49 12.746 2.323 -4.633 1.00 50.23 H new ATOM 0 HB2 LYS A 49 12.709 -0.079 -5.221 1.00 65.15 H new ATOM 0 HB3 LYS A 49 13.000 0.309 -6.905 1.00 65.15 H new ATOM 0 HG2 LYS A 49 15.222 1.215 -6.317 1.00 1.14 H new ATOM 0 HG3 LYS A 49 14.931 0.839 -4.630 1.00 1.14 H new ATOM 0 HD2 LYS A 49 14.718 -1.565 -5.175 1.00 3.23 H new ATOM 0 HD3 LYS A 49 14.924 -1.216 -6.880 1.00 3.23 H new ATOM 0 HE2 LYS A 49 17.176 -0.276 -6.415 1.00 20.34 H new ATOM 0 HE3 LYS A 49 16.969 -0.622 -4.710 1.00 20.34 H new ATOM 0 HZ1 LYS A 49 18.265 -2.321 -5.798 1.00 12.20 H new ATOM 0 HZ2 LYS A 49 16.803 -2.977 -5.236 1.00 12.20 H new ATOM 0 HZ3 LYS A 49 17.004 -2.641 -6.888 1.00 12.20 H new ATOM 647 N LYS A 50 12.845 3.222 -7.778 1.00 71.11 N ATOM 648 CA LYS A 50 13.362 4.217 -8.703 1.00 40.50 C ATOM 649 C LYS A 50 13.067 5.623 -8.216 1.00 65.13 C ATOM 650 O LYS A 50 13.924 6.504 -8.249 1.00 24.34 O ATOM 651 CB LYS A 50 12.712 4.040 -10.077 1.00 24.04 C ATOM 652 CG LYS A 50 13.066 2.763 -10.808 1.00 62.33 C ATOM 653 CD LYS A 50 14.542 2.712 -11.113 1.00 3.25 C ATOM 654 CE LYS A 50 14.895 1.492 -11.934 1.00 42.11 C ATOM 655 NZ LYS A 50 16.326 1.458 -12.274 1.00 14.31 N ATOM 0 H LYS A 50 12.098 2.647 -8.167 1.00 71.11 H new ATOM 0 HA LYS A 50 14.441 4.077 -8.769 1.00 40.50 H new ATOM 0 HB2 LYS A 50 11.630 4.079 -9.955 1.00 24.04 H new ATOM 0 HB3 LYS A 50 12.993 4.886 -10.704 1.00 24.04 H new ATOM 0 HG2 LYS A 50 12.785 1.902 -10.202 1.00 62.33 H new ATOM 0 HG3 LYS A 50 12.496 2.699 -11.735 1.00 62.33 H new ATOM 0 HD2 LYS A 50 14.835 3.613 -11.653 1.00 3.25 H new ATOM 0 HD3 LYS A 50 15.107 2.701 -10.181 1.00 3.25 H new ATOM 0 HE2 LYS A 50 14.632 0.592 -11.379 1.00 42.11 H new ATOM 0 HE3 LYS A 50 14.304 1.486 -12.850 1.00 42.11 H new ATOM 0 HZ1 LYS A 50 16.529 0.607 -12.837 1.00 14.31 H new ATOM 0 HZ2 LYS A 50 16.572 2.305 -12.825 1.00 14.31 H new ATOM 0 HZ3 LYS A 50 16.890 1.438 -11.400 1.00 14.31 H new ATOM 669 N LYS A 51 11.868 5.811 -7.755 1.00 61.43 N ATOM 670 CA LYS A 51 11.383 7.126 -7.376 1.00 50.01 C ATOM 671 C LYS A 51 11.744 7.477 -5.937 1.00 10.43 C ATOM 672 O LYS A 51 11.966 8.648 -5.611 1.00 75.40 O ATOM 673 CB LYS A 51 9.865 7.176 -7.565 1.00 0.24 C ATOM 674 CG LYS A 51 9.425 6.823 -8.975 1.00 54.11 C ATOM 675 CD LYS A 51 7.917 6.835 -9.120 1.00 11.51 C ATOM 676 CE LYS A 51 7.494 6.385 -10.517 1.00 34.24 C ATOM 677 NZ LYS A 51 8.046 7.246 -11.589 1.00 23.25 N ATOM 0 H LYS A 51 11.188 5.062 -7.626 1.00 61.43 H new ATOM 0 HA LYS A 51 11.866 7.863 -8.018 1.00 50.01 H new ATOM 0 HB2 LYS A 51 9.395 6.488 -6.862 1.00 0.24 H new ATOM 0 HB3 LYS A 51 9.508 8.176 -7.320 1.00 0.24 H new ATOM 0 HG2 LYS A 51 9.862 7.531 -9.679 1.00 54.11 H new ATOM 0 HG3 LYS A 51 9.806 5.836 -9.237 1.00 54.11 H new ATOM 0 HD2 LYS A 51 7.472 6.178 -8.373 1.00 11.51 H new ATOM 0 HD3 LYS A 51 7.538 7.839 -8.928 1.00 11.51 H new ATOM 0 HE2 LYS A 51 7.821 5.358 -10.678 1.00 34.24 H new ATOM 0 HE3 LYS A 51 6.406 6.386 -10.580 1.00 34.24 H new ATOM 0 HZ1 LYS A 51 7.597 7.003 -12.495 1.00 23.25 H new ATOM 0 HZ2 LYS A 51 7.857 8.244 -11.365 1.00 23.25 H new ATOM 0 HZ3 LYS A 51 9.073 7.096 -11.661 1.00 23.25 H new ATOM 691 N PHE A 52 11.839 6.476 -5.094 1.00 12.51 N ATOM 692 CA PHE A 52 12.056 6.658 -3.699 1.00 71.11 C ATOM 693 C PHE A 52 13.059 5.630 -3.229 1.00 64.22 C ATOM 694 O PHE A 52 12.738 4.446 -3.080 1.00 4.34 O ATOM 695 CB PHE A 52 10.738 6.472 -2.901 1.00 71.22 C ATOM 696 CG PHE A 52 9.578 7.307 -3.388 1.00 0.41 C ATOM 697 CD1 PHE A 52 9.542 8.673 -3.174 1.00 52.24 C ATOM 698 CD2 PHE A 52 8.518 6.710 -4.059 1.00 14.13 C ATOM 699 CE1 PHE A 52 8.475 9.431 -3.623 1.00 20.13 C ATOM 700 CE2 PHE A 52 7.451 7.461 -4.510 1.00 3.13 C ATOM 701 CZ PHE A 52 7.429 8.824 -4.291 1.00 60.41 C ATOM 0 H PHE A 52 11.765 5.498 -5.375 1.00 12.51 H new ATOM 0 HA PHE A 52 12.425 7.670 -3.530 1.00 71.11 H new ATOM 0 HB2 PHE A 52 10.452 5.421 -2.940 1.00 71.22 H new ATOM 0 HB3 PHE A 52 10.926 6.713 -1.855 1.00 71.22 H new ATOM 0 HD1 PHE A 52 10.356 9.153 -2.651 1.00 52.24 H new ATOM 0 HD2 PHE A 52 8.529 5.644 -4.230 1.00 14.13 H new ATOM 0 HE1 PHE A 52 8.460 10.497 -3.451 1.00 20.13 H new ATOM 0 HE2 PHE A 52 6.636 6.983 -5.033 1.00 3.13 H new ATOM 0 HZ PHE A 52 6.595 9.415 -4.641 1.00 60.41 H new ATOM 711 N GLY A 53 14.271 6.066 -3.086 1.00 14.01 N ATOM 712 CA GLY A 53 15.341 5.230 -2.546 1.00 23.34 C ATOM 713 C GLY A 53 15.103 4.881 -1.081 1.00 34.13 C ATOM 714 O GLY A 53 15.731 5.432 -0.186 1.00 53.43 O ATOM 0 H GLY A 53 14.565 7.010 -3.335 1.00 14.01 H new ATOM 0 HA2 GLY A 53 15.416 4.313 -3.130 1.00 23.34 H new ATOM 0 HA3 GLY A 53 16.294 5.750 -2.646 1.00 23.34 H new ATOM 718 N GLY A 54 14.192 3.978 -0.860 1.00 21.14 N ATOM 719 CA GLY A 54 13.783 3.563 0.462 1.00 65.34 C ATOM 720 C GLY A 54 14.683 2.533 1.113 1.00 32.22 C ATOM 721 O GLY A 54 14.746 2.469 2.331 1.00 22.20 O ATOM 0 H GLY A 54 13.697 3.494 -1.609 1.00 21.14 H new ATOM 0 HA2 GLY A 54 13.736 4.442 1.105 1.00 65.34 H new ATOM 0 HA3 GLY A 54 12.773 3.157 0.404 1.00 65.34 H new ATOM 725 N VAL A 55 15.411 1.770 0.293 1.00 32.21 N ATOM 726 CA VAL A 55 16.108 0.529 0.728 1.00 62.22 C ATOM 727 C VAL A 55 16.913 0.679 2.032 1.00 5.22 C ATOM 728 O VAL A 55 16.674 -0.064 2.983 1.00 13.44 O ATOM 729 CB VAL A 55 17.087 0.020 -0.377 1.00 52.43 C ATOM 730 CG1 VAL A 55 17.765 -1.278 0.041 1.00 60.11 C ATOM 731 CG2 VAL A 55 16.382 -0.155 -1.711 1.00 24.33 C ATOM 0 H VAL A 55 15.542 1.985 -0.695 1.00 32.21 H new ATOM 0 HA VAL A 55 15.304 -0.185 0.908 1.00 62.22 H new ATOM 0 HB VAL A 55 17.855 0.783 -0.501 1.00 52.43 H new ATOM 0 HG11 VAL A 55 18.440 -1.607 -0.749 1.00 60.11 H new ATOM 0 HG12 VAL A 55 18.332 -1.114 0.958 1.00 60.11 H new ATOM 0 HG13 VAL A 55 17.009 -2.044 0.214 1.00 60.11 H new ATOM 0 HG21 VAL A 55 17.095 -0.510 -2.455 1.00 24.33 H new ATOM 0 HG22 VAL A 55 15.576 -0.881 -1.604 1.00 24.33 H new ATOM 0 HG23 VAL A 55 15.968 0.801 -2.032 1.00 24.33 H new ATOM 737 N GLN A 56 17.811 1.639 2.108 1.00 43.25 N ATOM 738 CA GLN A 56 18.625 1.763 3.299 1.00 52.43 C ATOM 739 C GLN A 56 17.841 2.238 4.510 1.00 4.10 C ATOM 740 O GLN A 56 18.025 1.727 5.614 1.00 44.13 O ATOM 741 CB GLN A 56 19.853 2.603 3.058 1.00 53.03 C ATOM 742 CG GLN A 56 20.677 2.769 4.302 1.00 52.52 C ATOM 743 CD GLN A 56 22.071 3.165 4.000 1.00 15.30 C ATOM 744 OE1 GLN A 56 22.410 4.348 3.914 1.00 5.32 O ATOM 745 NE2 GLN A 56 22.895 2.175 3.836 1.00 2.23 N ATOM 0 H GLN A 56 17.994 2.329 1.379 1.00 43.25 H new ATOM 0 HA GLN A 56 18.964 0.755 3.537 1.00 52.43 H new ATOM 0 HB2 GLN A 56 20.461 2.141 2.280 1.00 53.03 H new ATOM 0 HB3 GLN A 56 19.554 3.584 2.688 1.00 53.03 H new ATOM 0 HG2 GLN A 56 20.218 3.522 4.942 1.00 52.52 H new ATOM 0 HG3 GLN A 56 20.680 1.834 4.862 1.00 52.52 H new ATOM 0 HE21 GLN A 56 22.561 1.215 3.918 1.00 2.23 H new ATOM 0 HE22 GLN A 56 23.876 2.358 3.625 1.00 2.23 H new ATOM 753 N GLU A 57 16.951 3.178 4.299 1.00 4.33 N ATOM 754 CA GLU A 57 16.137 3.707 5.382 1.00 73.01 C ATOM 755 C GLU A 57 15.238 2.642 5.980 1.00 21.33 C ATOM 756 O GLU A 57 15.031 2.614 7.180 1.00 1.02 O ATOM 757 CB GLU A 57 15.323 4.903 4.938 1.00 74.22 C ATOM 758 CG GLU A 57 16.162 6.082 4.518 1.00 32.20 C ATOM 759 CD GLU A 57 15.327 7.264 4.163 1.00 31.11 C ATOM 760 OE1 GLU A 57 14.946 8.032 5.080 1.00 25.43 O ATOM 761 OE2 GLU A 57 15.031 7.462 2.962 1.00 52.23 O ATOM 0 H GLU A 57 16.767 3.597 3.387 1.00 4.33 H new ATOM 0 HA GLU A 57 16.826 4.040 6.159 1.00 73.01 H new ATOM 0 HB2 GLU A 57 14.684 4.608 4.106 1.00 74.22 H new ATOM 0 HB3 GLU A 57 14.666 5.207 5.753 1.00 74.22 H new ATOM 0 HG2 GLU A 57 16.843 6.349 5.326 1.00 32.20 H new ATOM 0 HG3 GLU A 57 16.777 5.803 3.663 1.00 32.20 H new ATOM 768 N LEU A 58 14.739 1.747 5.149 1.00 2.21 N ATOM 769 CA LEU A 58 13.880 0.668 5.620 1.00 34.14 C ATOM 770 C LEU A 58 14.665 -0.253 6.545 1.00 61.33 C ATOM 771 O LEU A 58 14.154 -0.708 7.574 1.00 41.14 O ATOM 772 CB LEU A 58 13.308 -0.120 4.443 1.00 1.01 C ATOM 773 CG LEU A 58 12.539 0.698 3.406 1.00 21.51 C ATOM 774 CD1 LEU A 58 11.983 -0.190 2.322 1.00 51.24 C ATOM 775 CD2 LEU A 58 11.440 1.514 4.053 1.00 12.54 C ATOM 0 H LEU A 58 14.911 1.742 4.144 1.00 2.21 H new ATOM 0 HA LEU A 58 13.048 1.101 6.174 1.00 34.14 H new ATOM 0 HB2 LEU A 58 14.128 -0.631 3.939 1.00 1.01 H new ATOM 0 HB3 LEU A 58 12.645 -0.891 4.835 1.00 1.01 H new ATOM 0 HG LEU A 58 13.242 1.393 2.947 1.00 21.51 H new ATOM 0 HD11 LEU A 58 11.440 0.417 1.597 1.00 51.24 H new ATOM 0 HD12 LEU A 58 12.801 -0.709 1.821 1.00 51.24 H new ATOM 0 HD13 LEU A 58 11.305 -0.921 2.763 1.00 51.24 H new ATOM 0 HD21 LEU A 58 10.912 2.084 3.289 1.00 12.54 H new ATOM 0 HD22 LEU A 58 10.740 0.847 4.556 1.00 12.54 H new ATOM 0 HD23 LEU A 58 11.876 2.199 4.780 1.00 12.54 H new ATOM 783 N LEU A 59 15.917 -0.484 6.185 1.00 25.53 N ATOM 784 CA LEU A 59 16.810 -1.297 6.988 1.00 44.32 C ATOM 785 C LEU A 59 17.189 -0.552 8.260 1.00 34.34 C ATOM 786 O LEU A 59 17.359 -1.154 9.322 1.00 40.32 O ATOM 787 CB LEU A 59 18.074 -1.653 6.188 1.00 4.12 C ATOM 788 CG LEU A 59 17.856 -2.447 4.899 1.00 65.12 C ATOM 789 CD1 LEU A 59 19.180 -2.698 4.197 1.00 62.32 C ATOM 790 CD2 LEU A 59 17.153 -3.763 5.192 1.00 14.30 C ATOM 0 H LEU A 59 16.339 -0.115 5.333 1.00 25.53 H new ATOM 0 HA LEU A 59 16.297 -2.220 7.257 1.00 44.32 H new ATOM 0 HB2 LEU A 59 18.592 -0.728 5.937 1.00 4.12 H new ATOM 0 HB3 LEU A 59 18.739 -2.225 6.835 1.00 4.12 H new ATOM 0 HG LEU A 59 17.220 -1.857 4.238 1.00 65.12 H new ATOM 0 HD11 LEU A 59 19.005 -3.264 3.282 1.00 62.32 H new ATOM 0 HD12 LEU A 59 19.647 -1.745 3.950 1.00 62.32 H new ATOM 0 HD13 LEU A 59 19.839 -3.265 4.855 1.00 62.32 H new ATOM 0 HD21 LEU A 59 17.007 -4.313 4.262 1.00 14.30 H new ATOM 0 HD22 LEU A 59 17.762 -4.357 5.873 1.00 14.30 H new ATOM 0 HD23 LEU A 59 16.185 -3.564 5.651 1.00 14.30 H new ATOM 798 N ASN A 60 17.304 0.758 8.143 1.00 11.30 N ATOM 799 CA ASN A 60 17.667 1.629 9.258 1.00 41.43 C ATOM 800 C ASN A 60 16.535 1.665 10.290 1.00 41.12 C ATOM 801 O ASN A 60 16.771 1.613 11.503 1.00 74.20 O ATOM 802 CB ASN A 60 17.936 3.047 8.694 1.00 53.12 C ATOM 803 CG ASN A 60 18.405 4.099 9.702 1.00 64.12 C ATOM 804 OD1 ASN A 60 18.073 4.079 10.887 1.00 32.14 O ATOM 805 ND2 ASN A 60 19.178 5.037 9.223 1.00 21.05 N ATOM 0 H ASN A 60 17.148 1.256 7.267 1.00 11.30 H new ATOM 0 HA ASN A 60 18.561 1.253 9.756 1.00 41.43 H new ATOM 0 HB2 ASN A 60 18.688 2.966 7.909 1.00 53.12 H new ATOM 0 HB3 ASN A 60 17.021 3.408 8.224 1.00 53.12 H new ATOM 0 HD21 ASN A 60 19.522 5.777 9.835 1.00 21.05 H new ATOM 0 HD22 ASN A 60 19.438 5.030 8.237 1.00 21.05 H new ATOM 811 N GLN A 61 15.315 1.685 9.803 1.00 61.02 N ATOM 812 CA GLN A 61 14.128 1.736 10.653 1.00 12.22 C ATOM 813 C GLN A 61 13.772 0.356 11.218 1.00 32.34 C ATOM 814 O GLN A 61 12.947 0.247 12.126 1.00 51.13 O ATOM 815 CB GLN A 61 12.955 2.347 9.873 1.00 13.13 C ATOM 816 CG GLN A 61 13.233 3.780 9.415 1.00 64.03 C ATOM 817 CD GLN A 61 12.144 4.388 8.542 1.00 54.45 C ATOM 818 OE1 GLN A 61 12.427 5.229 7.693 1.00 64.45 O ATOM 819 NE2 GLN A 61 10.909 3.984 8.737 1.00 25.03 N ATOM 0 H GLN A 61 15.108 1.667 8.804 1.00 61.02 H new ATOM 0 HA GLN A 61 14.346 2.374 11.510 1.00 12.22 H new ATOM 0 HB2 GLN A 61 12.741 1.727 9.003 1.00 13.13 H new ATOM 0 HB3 GLN A 61 12.063 2.337 10.499 1.00 13.13 H new ATOM 0 HG2 GLN A 61 13.369 4.409 10.295 1.00 64.03 H new ATOM 0 HG3 GLN A 61 14.173 3.796 8.864 1.00 64.03 H new ATOM 0 HE21 GLN A 61 10.708 3.284 9.451 1.00 25.03 H new ATOM 0 HE22 GLN A 61 10.151 4.371 8.175 1.00 25.03 H new ATOM 827 N GLN A 62 14.411 -0.676 10.661 1.00 23.52 N ATOM 828 CA GLN A 62 14.233 -2.085 11.045 1.00 41.33 C ATOM 829 C GLN A 62 12.785 -2.515 11.100 1.00 3.31 C ATOM 830 O GLN A 62 12.174 -2.586 12.183 1.00 70.54 O ATOM 831 CB GLN A 62 14.935 -2.466 12.347 1.00 25.13 C ATOM 832 CG GLN A 62 16.439 -2.324 12.341 1.00 34.31 C ATOM 833 CD GLN A 62 17.048 -2.813 13.645 1.00 0.11 C ATOM 834 OE1 GLN A 62 16.413 -2.749 14.709 1.00 13.10 O ATOM 835 NE2 GLN A 62 18.265 -3.294 13.588 1.00 31.25 N ATOM 0 H GLN A 62 15.088 -0.554 9.907 1.00 23.52 H new ATOM 0 HA GLN A 62 14.719 -2.631 10.236 1.00 41.33 H new ATOM 0 HB2 GLN A 62 14.533 -1.849 13.150 1.00 25.13 H new ATOM 0 HB3 GLN A 62 14.686 -3.500 12.584 1.00 25.13 H new ATOM 0 HG2 GLN A 62 16.856 -2.890 11.508 1.00 34.31 H new ATOM 0 HG3 GLN A 62 16.707 -1.279 12.182 1.00 34.31 H new ATOM 0 HE21 GLN A 62 18.757 -3.331 12.695 1.00 31.25 H new ATOM 0 HE22 GLN A 62 18.720 -3.631 14.436 1.00 31.25 H new ATOM 843 N LYS A 63 12.222 -2.755 9.969 1.00 62.01 N ATOM 844 CA LYS A 63 10.887 -3.226 9.903 1.00 44.12 C ATOM 845 C LYS A 63 10.859 -4.680 9.518 1.00 75.42 C ATOM 846 O LYS A 63 11.257 -5.061 8.419 1.00 61.00 O ATOM 847 CB LYS A 63 10.019 -2.351 9.004 1.00 72.21 C ATOM 848 CG LYS A 63 9.865 -0.928 9.531 1.00 71.11 C ATOM 849 CD LYS A 63 9.375 -0.965 10.961 1.00 31.12 C ATOM 850 CE LYS A 63 9.017 0.399 11.501 1.00 33.01 C ATOM 851 NZ LYS A 63 8.505 0.302 12.888 1.00 11.14 N ATOM 0 H LYS A 63 12.675 -2.630 9.064 1.00 62.01 H new ATOM 0 HA LYS A 63 10.446 -3.151 10.897 1.00 44.12 H new ATOM 0 HB2 LYS A 63 10.456 -2.318 8.006 1.00 72.21 H new ATOM 0 HB3 LYS A 63 9.033 -2.805 8.906 1.00 72.21 H new ATOM 0 HG2 LYS A 63 10.819 -0.404 9.477 1.00 71.11 H new ATOM 0 HG3 LYS A 63 9.162 -0.374 8.910 1.00 71.11 H new ATOM 0 HD2 LYS A 63 8.501 -1.614 11.023 1.00 31.12 H new ATOM 0 HD3 LYS A 63 10.146 -1.408 11.591 1.00 31.12 H new ATOM 0 HE2 LYS A 63 9.894 1.045 11.478 1.00 33.01 H new ATOM 0 HE3 LYS A 63 8.264 0.861 10.863 1.00 33.01 H new ATOM 0 HZ1 LYS A 63 8.266 1.252 13.237 1.00 11.14 H new ATOM 0 HZ2 LYS A 63 7.655 -0.297 12.903 1.00 11.14 H new ATOM 0 HZ3 LYS A 63 9.235 -0.118 13.499 1.00 11.14 H new ATOM 865 N LYS A 64 10.428 -5.479 10.455 1.00 54.45 N ATOM 866 CA LYS A 64 10.384 -6.905 10.315 1.00 53.31 C ATOM 867 C LYS A 64 8.945 -7.379 10.244 1.00 53.41 C ATOM 868 O LYS A 64 8.045 -6.576 10.423 1.00 74.32 O ATOM 869 CB LYS A 64 11.222 -7.588 11.406 1.00 41.22 C ATOM 870 CG LYS A 64 12.702 -7.183 11.325 1.00 33.23 C ATOM 871 CD LYS A 64 13.563 -7.856 12.368 1.00 3.22 C ATOM 872 CE LYS A 64 15.031 -7.433 12.238 1.00 33.40 C ATOM 873 NZ LYS A 64 15.654 -7.873 10.956 1.00 22.32 N ATOM 0 H LYS A 64 10.090 -5.147 11.358 1.00 54.45 H new ATOM 0 HA LYS A 64 10.845 -7.199 9.372 1.00 53.31 H new ATOM 0 HB2 LYS A 64 10.826 -7.325 12.387 1.00 41.22 H new ATOM 0 HB3 LYS A 64 11.135 -8.670 11.307 1.00 41.22 H new ATOM 0 HG2 LYS A 64 13.085 -7.428 10.334 1.00 33.23 H new ATOM 0 HG3 LYS A 64 12.783 -6.102 11.440 1.00 33.23 H new ATOM 0 HD2 LYS A 64 13.197 -7.603 13.363 1.00 3.22 H new ATOM 0 HD3 LYS A 64 13.484 -8.938 12.264 1.00 3.22 H new ATOM 0 HE2 LYS A 64 15.099 -6.348 12.315 1.00 33.40 H new ATOM 0 HE3 LYS A 64 15.598 -7.847 13.072 1.00 33.40 H new ATOM 0 HZ1 LYS A 64 16.680 -7.711 10.995 1.00 22.32 H new ATOM 0 HZ2 LYS A 64 15.469 -8.886 10.810 1.00 22.32 H new ATOM 0 HZ3 LYS A 64 15.247 -7.330 10.168 1.00 22.32 H new ATOM 887 N SER A 65 8.740 -8.661 9.948 1.00 20.43 N ATOM 888 CA SER A 65 7.407 -9.225 9.676 1.00 31.20 C ATOM 889 C SER A 65 6.331 -8.768 10.679 1.00 21.33 C ATOM 890 O SER A 65 6.484 -8.918 11.901 1.00 2.13 O ATOM 891 CB SER A 65 7.519 -10.750 9.650 1.00 43.30 C ATOM 892 OG SER A 65 8.107 -11.247 10.858 1.00 44.32 O ATOM 0 H SER A 65 9.493 -9.346 9.888 1.00 20.43 H new ATOM 0 HA SER A 65 7.076 -8.850 8.708 1.00 31.20 H new ATOM 0 HB2 SER A 65 6.530 -11.188 9.517 1.00 43.30 H new ATOM 0 HB3 SER A 65 8.121 -11.059 8.796 1.00 43.30 H new ATOM 0 HG SER A 65 7.728 -10.771 11.626 1.00 44.32 H new ATOM 898 N GLY A 66 5.247 -8.223 10.144 1.00 65.14 N ATOM 899 CA GLY A 66 4.178 -7.708 10.977 1.00 25.31 C ATOM 900 C GLY A 66 4.290 -6.206 11.187 1.00 13.13 C ATOM 901 O GLY A 66 3.529 -5.615 11.968 1.00 2.43 O ATOM 0 H GLY A 66 5.088 -8.128 9.141 1.00 65.14 H new ATOM 0 HA2 GLY A 66 3.217 -7.939 10.517 1.00 25.31 H new ATOM 0 HA3 GLY A 66 4.198 -8.211 11.944 1.00 25.31 H new ATOM 905 N GLU A 67 5.232 -5.596 10.503 1.00 33.25 N ATOM 906 CA GLU A 67 5.445 -4.160 10.552 1.00 14.21 C ATOM 907 C GLU A 67 5.205 -3.522 9.217 1.00 73.32 C ATOM 908 O GLU A 67 5.104 -4.193 8.185 1.00 71.30 O ATOM 909 CB GLU A 67 6.875 -3.809 10.978 1.00 13.12 C ATOM 910 CG GLU A 67 7.183 -3.944 12.445 1.00 10.22 C ATOM 911 CD GLU A 67 6.399 -2.960 13.268 1.00 71.45 C ATOM 912 OE1 GLU A 67 6.706 -1.741 13.220 1.00 50.32 O ATOM 913 OE2 GLU A 67 5.467 -3.371 13.971 1.00 40.32 O ATOM 0 H GLU A 67 5.882 -6.086 9.888 1.00 33.25 H new ATOM 0 HA GLU A 67 4.734 -3.781 11.286 1.00 14.21 H new ATOM 0 HB2 GLU A 67 7.564 -4.446 10.423 1.00 13.12 H new ATOM 0 HB3 GLU A 67 7.079 -2.781 10.678 1.00 13.12 H new ATOM 0 HG2 GLU A 67 6.954 -4.958 12.774 1.00 10.22 H new ATOM 0 HG3 GLU A 67 8.249 -3.789 12.609 1.00 10.22 H new ATOM 920 N VAL A 68 5.136 -2.226 9.240 1.00 60.25 N ATOM 921 CA VAL A 68 5.020 -1.448 8.059 1.00 53.20 C ATOM 922 C VAL A 68 6.058 -0.345 8.134 1.00 63.41 C ATOM 923 O VAL A 68 6.273 0.246 9.200 1.00 64.31 O ATOM 924 CB VAL A 68 3.579 -0.844 7.882 1.00 65.52 C ATOM 925 CG1 VAL A 68 3.216 0.119 9.007 1.00 45.53 C ATOM 926 CG2 VAL A 68 3.427 -0.163 6.533 1.00 72.50 C ATOM 0 H VAL A 68 5.160 -1.676 10.099 1.00 60.25 H new ATOM 0 HA VAL A 68 5.190 -2.084 7.190 1.00 53.20 H new ATOM 0 HB VAL A 68 2.883 -1.682 7.928 1.00 65.52 H new ATOM 0 HG11 VAL A 68 2.212 0.510 8.841 1.00 45.53 H new ATOM 0 HG12 VAL A 68 3.247 -0.407 9.961 1.00 45.53 H new ATOM 0 HG13 VAL A 68 3.929 0.944 9.024 1.00 45.53 H new ATOM 0 HG21 VAL A 68 2.420 0.244 6.442 1.00 72.50 H new ATOM 0 HG22 VAL A 68 4.154 0.645 6.449 1.00 72.50 H new ATOM 0 HG23 VAL A 68 3.598 -0.889 5.738 1.00 72.50 H new ATOM 932 N ALA A 69 6.734 -0.109 7.068 1.00 20.14 N ATOM 933 CA ALA A 69 7.676 0.965 7.033 1.00 52.45 C ATOM 934 C ALA A 69 7.054 2.094 6.285 1.00 15.13 C ATOM 935 O ALA A 69 6.539 1.895 5.187 1.00 64.53 O ATOM 936 CB ALA A 69 8.980 0.536 6.387 1.00 12.50 C ATOM 0 H ALA A 69 6.657 -0.643 6.203 1.00 20.14 H new ATOM 0 HA ALA A 69 7.920 1.276 8.049 1.00 52.45 H new ATOM 0 HB1 ALA A 69 9.674 1.376 6.376 1.00 12.50 H new ATOM 0 HB2 ALA A 69 9.414 -0.287 6.955 1.00 12.50 H new ATOM 0 HB3 ALA A 69 8.789 0.210 5.365 1.00 12.50 H new ATOM 942 N VAL A 70 7.051 3.256 6.868 1.00 51.02 N ATOM 943 CA VAL A 70 6.441 4.387 6.225 1.00 21.21 C ATOM 944 C VAL A 70 7.470 5.457 6.032 1.00 1.41 C ATOM 945 O VAL A 70 8.254 5.752 6.940 1.00 4.14 O ATOM 946 CB VAL A 70 5.259 4.980 7.051 1.00 53.54 C ATOM 947 CG1 VAL A 70 4.516 6.056 6.278 1.00 71.11 C ATOM 948 CG2 VAL A 70 4.316 3.904 7.561 1.00 43.32 C ATOM 0 H VAL A 70 7.461 3.448 7.782 1.00 51.02 H new ATOM 0 HA VAL A 70 6.043 4.041 5.271 1.00 21.21 H new ATOM 0 HB VAL A 70 5.698 5.455 7.928 1.00 53.54 H new ATOM 0 HG11 VAL A 70 3.700 6.444 6.888 1.00 71.11 H new ATOM 0 HG12 VAL A 70 5.202 6.866 6.032 1.00 71.11 H new ATOM 0 HG13 VAL A 70 4.112 5.631 5.359 1.00 71.11 H new ATOM 0 HG21 VAL A 70 3.510 4.367 8.130 1.00 43.32 H new ATOM 0 HG22 VAL A 70 3.897 3.357 6.716 1.00 43.32 H new ATOM 0 HG23 VAL A 70 4.864 3.215 8.203 1.00 43.32 H new ATOM 954 N LEU A 71 7.477 6.023 4.872 1.00 34.23 N ATOM 955 CA LEU A 71 8.363 7.103 4.552 1.00 12.23 C ATOM 956 C LEU A 71 7.502 8.246 4.094 1.00 13.02 C ATOM 957 O LEU A 71 6.616 8.043 3.257 1.00 51.55 O ATOM 958 CB LEU A 71 9.285 6.714 3.374 1.00 51.15 C ATOM 959 CG LEU A 71 10.127 5.436 3.504 1.00 35.55 C ATOM 960 CD1 LEU A 71 10.936 5.215 2.237 1.00 52.21 C ATOM 961 CD2 LEU A 71 11.053 5.502 4.702 1.00 71.12 C ATOM 0 H LEU A 71 6.862 5.749 4.106 1.00 34.23 H new ATOM 0 HA LEU A 71 8.974 7.354 5.419 1.00 12.23 H new ATOM 0 HB2 LEU A 71 8.664 6.615 2.484 1.00 51.15 H new ATOM 0 HB3 LEU A 71 9.967 7.546 3.196 1.00 51.15 H new ATOM 0 HG LEU A 71 9.445 4.599 3.651 1.00 35.55 H new ATOM 0 HD11 LEU A 71 11.530 4.307 2.338 1.00 52.21 H new ATOM 0 HD12 LEU A 71 10.261 5.114 1.387 1.00 52.21 H new ATOM 0 HD13 LEU A 71 11.598 6.065 2.075 1.00 52.21 H new ATOM 0 HD21 LEU A 71 11.634 4.582 4.764 1.00 71.12 H new ATOM 0 HD22 LEU A 71 11.728 6.351 4.594 1.00 71.12 H new ATOM 0 HD23 LEU A 71 10.464 5.621 5.611 1.00 71.12 H new ATOM 969 N LYS A 72 7.696 9.429 4.639 1.00 3.30 N ATOM 970 CA LYS A 72 6.944 10.547 4.133 1.00 0.41 C ATOM 971 C LYS A 72 7.679 11.078 2.945 1.00 24.23 C ATOM 972 O LYS A 72 8.772 11.620 3.081 1.00 52.31 O ATOM 973 CB LYS A 72 6.782 11.657 5.156 1.00 55.44 C ATOM 974 CG LYS A 72 5.972 12.826 4.609 1.00 20.31 C ATOM 975 CD LYS A 72 5.809 13.945 5.607 1.00 2.20 C ATOM 976 CE LYS A 72 5.032 15.089 4.982 1.00 5.30 C ATOM 977 NZ LYS A 72 4.830 16.209 5.916 1.00 64.42 N ATOM 0 H LYS A 72 8.342 9.633 5.402 1.00 3.30 H new ATOM 0 HA LYS A 72 5.941 10.205 3.878 1.00 0.41 H new ATOM 0 HB2 LYS A 72 6.292 11.261 6.045 1.00 55.44 H new ATOM 0 HB3 LYS A 72 7.765 12.011 5.465 1.00 55.44 H new ATOM 0 HG2 LYS A 72 6.460 13.212 3.714 1.00 20.31 H new ATOM 0 HG3 LYS A 72 4.987 12.469 4.307 1.00 20.31 H new ATOM 0 HD2 LYS A 72 5.287 13.581 6.492 1.00 2.20 H new ATOM 0 HD3 LYS A 72 6.787 14.296 5.936 1.00 2.20 H new ATOM 0 HE2 LYS A 72 5.564 15.447 4.100 1.00 5.30 H new ATOM 0 HE3 LYS A 72 4.063 14.723 4.643 1.00 5.30 H new ATOM 0 HZ1 LYS A 72 4.295 16.964 5.442 1.00 64.42 H new ATOM 0 HZ2 LYS A 72 4.299 15.877 6.746 1.00 64.42 H new ATOM 0 HZ3 LYS A 72 5.753 16.578 6.221 1.00 64.42 H new ATOM 991 N ARG A 73 7.109 10.933 1.804 1.00 63.43 N ATOM 992 CA ARG A 73 7.759 11.324 0.577 1.00 12.11 C ATOM 993 C ARG A 73 6.786 12.042 -0.311 1.00 72.03 C ATOM 994 O ARG A 73 5.677 11.571 -0.505 1.00 32.31 O ATOM 995 CB ARG A 73 8.319 10.098 -0.172 1.00 53.22 C ATOM 996 CG ARG A 73 9.381 9.310 0.587 1.00 43.23 C ATOM 997 CD ARG A 73 10.559 10.193 0.972 1.00 74.22 C ATOM 998 NE ARG A 73 11.575 9.458 1.714 1.00 72.14 N ATOM 999 CZ ARG A 73 11.830 9.603 3.031 1.00 23.22 C ATOM 1000 NH1 ARG A 73 11.072 10.386 3.782 1.00 22.31 N ATOM 1001 NH2 ARG A 73 12.829 8.959 3.581 1.00 30.15 N ATOM 0 H ARG A 73 6.176 10.540 1.680 1.00 63.43 H new ATOM 0 HA ARG A 73 8.587 11.985 0.832 1.00 12.11 H new ATOM 0 HB2 ARG A 73 7.493 9.428 -0.411 1.00 53.22 H new ATOM 0 HB3 ARG A 73 8.743 10.432 -1.119 1.00 53.22 H new ATOM 0 HG2 ARG A 73 8.941 8.876 1.485 1.00 43.23 H new ATOM 0 HG3 ARG A 73 9.731 8.482 -0.029 1.00 43.23 H new ATOM 0 HD2 ARG A 73 11.004 10.616 0.071 1.00 74.22 H new ATOM 0 HD3 ARG A 73 10.204 11.028 1.575 1.00 74.22 H new ATOM 0 HE ARG A 73 12.137 8.781 1.198 1.00 72.14 H new ATOM 0 HH11 ARG A 73 10.287 10.887 3.366 1.00 22.31 H new ATOM 0 HH12 ARG A 73 11.273 10.489 4.777 1.00 22.31 H new ATOM 0 HH21 ARG A 73 13.415 8.347 3.014 1.00 30.15 H new ATOM 0 HH22 ARG A 73 13.021 9.070 4.577 1.00 30.15 H new ATOM 1013 N ASP A 74 7.196 13.192 -0.825 1.00 22.42 N ATOM 1014 CA ASP A 74 6.379 14.018 -1.754 1.00 63.41 C ATOM 1015 C ASP A 74 5.067 14.455 -1.054 1.00 30.33 C ATOM 1016 O ASP A 74 4.058 14.737 -1.689 1.00 72.03 O ATOM 1017 CB ASP A 74 6.074 13.183 -3.045 1.00 52.33 C ATOM 1018 CG ASP A 74 5.448 13.975 -4.186 1.00 41.24 C ATOM 1019 OD1 ASP A 74 6.197 14.601 -4.955 1.00 11.32 O ATOM 1020 OD2 ASP A 74 4.210 13.957 -4.356 1.00 53.24 O ATOM 0 H ASP A 74 8.109 13.597 -0.619 1.00 22.42 H new ATOM 0 HA ASP A 74 6.927 14.917 -2.036 1.00 63.41 H new ATOM 0 HB2 ASP A 74 7.003 12.736 -3.399 1.00 52.33 H new ATOM 0 HB3 ASP A 74 5.406 12.363 -2.781 1.00 52.33 H new ATOM 1025 N GLY A 75 5.134 14.575 0.259 1.00 65.40 N ATOM 1026 CA GLY A 75 3.987 14.991 1.045 1.00 30.43 C ATOM 1027 C GLY A 75 3.030 13.849 1.366 1.00 74.33 C ATOM 1028 O GLY A 75 2.113 14.009 2.170 1.00 70.41 O ATOM 0 H GLY A 75 5.975 14.389 0.806 1.00 65.40 H new ATOM 0 HA2 GLY A 75 4.336 15.436 1.977 1.00 30.43 H new ATOM 0 HA3 GLY A 75 3.447 15.767 0.504 1.00 30.43 H new ATOM 1032 N ARG A 76 3.248 12.702 0.762 1.00 3.51 N ATOM 1033 CA ARG A 76 2.370 11.571 0.944 1.00 72.21 C ATOM 1034 C ARG A 76 3.114 10.507 1.731 1.00 0.12 C ATOM 1035 O ARG A 76 4.319 10.650 2.000 1.00 64.32 O ATOM 1036 CB ARG A 76 1.958 11.009 -0.420 1.00 31.21 C ATOM 1037 CG ARG A 76 3.062 10.239 -1.126 1.00 55.41 C ATOM 1038 CD ARG A 76 2.707 9.920 -2.544 1.00 70.40 C ATOM 1039 NE ARG A 76 2.733 11.113 -3.386 1.00 13.44 N ATOM 1040 CZ ARG A 76 2.016 11.283 -4.490 1.00 63.54 C ATOM 1041 NH1 ARG A 76 1.018 10.450 -4.776 1.00 2.12 N ATOM 1042 NH2 ARG A 76 2.257 12.325 -5.269 1.00 51.13 N ATOM 0 H ARG A 76 4.034 12.529 0.135 1.00 3.51 H new ATOM 0 HA ARG A 76 1.473 11.878 1.483 1.00 72.21 H new ATOM 0 HB2 ARG A 76 1.098 10.353 -0.287 1.00 31.21 H new ATOM 0 HB3 ARG A 76 1.636 11.831 -1.059 1.00 31.21 H new ATOM 0 HG2 ARG A 76 3.982 10.824 -1.106 1.00 55.41 H new ATOM 0 HG3 ARG A 76 3.261 9.314 -0.585 1.00 55.41 H new ATOM 0 HD2 ARG A 76 3.405 9.181 -2.937 1.00 70.40 H new ATOM 0 HD3 ARG A 76 1.714 9.471 -2.579 1.00 70.40 H new ATOM 0 HE ARG A 76 3.350 11.875 -3.104 1.00 13.44 H new ATOM 0 HH11 ARG A 76 0.802 9.678 -4.146 1.00 2.12 H new ATOM 0 HH12 ARG A 76 0.469 10.584 -5.625 1.00 2.12 H new ATOM 0 HH21 ARG A 76 2.989 12.990 -5.019 1.00 51.13 H new ATOM 0 HH22 ARG A 76 1.711 12.463 -6.119 1.00 51.13 H new ATOM 1054 N TYR A 77 2.435 9.471 2.112 1.00 33.41 N ATOM 1055 CA TYR A 77 3.077 8.403 2.807 1.00 43.33 C ATOM 1056 C TYR A 77 3.310 7.218 1.922 1.00 35.32 C ATOM 1057 O TYR A 77 2.587 7.000 0.947 1.00 62.43 O ATOM 1058 CB TYR A 77 2.330 8.026 4.065 1.00 31.51 C ATOM 1059 CG TYR A 77 2.434 9.088 5.107 1.00 33.31 C ATOM 1060 CD1 TYR A 77 3.651 9.351 5.685 1.00 30.14 C ATOM 1061 CD2 TYR A 77 1.340 9.822 5.515 1.00 44.23 C ATOM 1062 CE1 TYR A 77 3.795 10.303 6.636 1.00 13.14 C ATOM 1063 CE2 TYR A 77 1.467 10.798 6.484 1.00 4.53 C ATOM 1064 CZ TYR A 77 2.699 11.035 7.042 1.00 3.10 C ATOM 1065 OH TYR A 77 2.836 12.005 8.014 1.00 71.41 O ATOM 0 H TYR A 77 1.436 9.343 1.953 1.00 33.41 H new ATOM 0 HA TYR A 77 4.058 8.767 3.112 1.00 43.33 H new ATOM 0 HB2 TYR A 77 1.281 7.851 3.827 1.00 31.51 H new ATOM 0 HB3 TYR A 77 2.728 7.090 4.458 1.00 31.51 H new ATOM 0 HD1 TYR A 77 4.515 8.784 5.373 1.00 30.14 H new ATOM 0 HD2 TYR A 77 0.374 9.632 5.072 1.00 44.23 H new ATOM 0 HE1 TYR A 77 4.764 10.489 7.075 1.00 13.14 H new ATOM 0 HE2 TYR A 77 0.606 11.369 6.800 1.00 4.53 H new ATOM 0 HH TYR A 77 2.042 12.580 8.017 1.00 71.41 H new ATOM 1075 N ILE A 78 4.326 6.469 2.238 1.00 64.54 N ATOM 1076 CA ILE A 78 4.664 5.299 1.478 1.00 71.34 C ATOM 1077 C ILE A 78 4.689 4.149 2.446 1.00 33.24 C ATOM 1078 O ILE A 78 5.473 4.158 3.387 1.00 51.01 O ATOM 1079 CB ILE A 78 6.066 5.425 0.795 1.00 4.54 C ATOM 1080 CG1 ILE A 78 6.168 6.708 -0.069 1.00 22.42 C ATOM 1081 CG2 ILE A 78 6.343 4.195 -0.068 1.00 71.11 C ATOM 1082 CD1 ILE A 78 5.190 6.775 -1.229 1.00 63.12 C ATOM 0 H ILE A 78 4.944 6.651 3.029 1.00 64.54 H new ATOM 0 HA ILE A 78 3.933 5.158 0.682 1.00 71.34 H new ATOM 0 HB ILE A 78 6.814 5.492 1.585 1.00 4.54 H new ATOM 0 HG12 ILE A 78 6.009 7.575 0.573 1.00 22.42 H new ATOM 0 HG13 ILE A 78 7.182 6.785 -0.462 1.00 22.42 H new ATOM 0 HG21 ILE A 78 7.321 4.293 -0.538 1.00 71.11 H new ATOM 0 HG22 ILE A 78 6.329 3.302 0.556 1.00 71.11 H new ATOM 0 HG23 ILE A 78 5.577 4.111 -0.839 1.00 71.11 H new ATOM 0 HD11 ILE A 78 5.336 7.707 -1.775 1.00 63.12 H new ATOM 0 HD12 ILE A 78 5.361 5.932 -1.898 1.00 63.12 H new ATOM 0 HD13 ILE A 78 4.170 6.734 -0.848 1.00 63.12 H new ATOM 1089 N TYR A 79 3.829 3.195 2.238 1.00 44.01 N ATOM 1090 CA TYR A 79 3.701 2.075 3.137 1.00 35.20 C ATOM 1091 C TYR A 79 4.340 0.826 2.572 1.00 35.44 C ATOM 1092 O TYR A 79 3.982 0.355 1.479 1.00 73.30 O ATOM 1093 CB TYR A 79 2.233 1.799 3.457 1.00 64.00 C ATOM 1094 CG TYR A 79 1.512 2.927 4.164 1.00 13.22 C ATOM 1095 CD1 TYR A 79 0.867 3.926 3.451 1.00 62.12 C ATOM 1096 CD2 TYR A 79 1.466 2.979 5.548 1.00 34.32 C ATOM 1097 CE1 TYR A 79 0.202 4.946 4.101 1.00 33.13 C ATOM 1098 CE2 TYR A 79 0.801 3.990 6.202 1.00 32.45 C ATOM 1099 CZ TYR A 79 0.172 4.970 5.475 1.00 24.12 C ATOM 1100 OH TYR A 79 -0.503 5.983 6.134 1.00 33.23 O ATOM 0 H TYR A 79 3.194 3.167 1.440 1.00 44.01 H new ATOM 0 HA TYR A 79 4.225 2.343 4.055 1.00 35.20 H new ATOM 0 HB2 TYR A 79 1.709 1.578 2.527 1.00 64.00 H new ATOM 0 HB3 TYR A 79 2.173 0.904 4.077 1.00 64.00 H new ATOM 0 HD1 TYR A 79 0.885 3.906 2.371 1.00 62.12 H new ATOM 0 HD2 TYR A 79 1.962 2.211 6.124 1.00 34.32 H new ATOM 0 HE1 TYR A 79 -0.292 5.721 3.533 1.00 33.13 H new ATOM 0 HE2 TYR A 79 0.774 4.013 7.281 1.00 32.45 H new ATOM 0 HH TYR A 79 -1.349 5.637 6.487 1.00 33.23 H new ATOM 1110 N TYR A 80 5.289 0.313 3.293 1.00 75.40 N ATOM 1111 CA TYR A 80 5.921 -0.932 2.964 1.00 60.34 C ATOM 1112 C TYR A 80 5.449 -1.986 3.928 1.00 45.20 C ATOM 1113 O TYR A 80 5.852 -1.980 5.095 1.00 4.15 O ATOM 1114 CB TYR A 80 7.440 -0.820 3.061 1.00 42.31 C ATOM 1115 CG TYR A 80 8.056 0.170 2.116 1.00 3.21 C ATOM 1116 CD1 TYR A 80 8.223 1.502 2.468 1.00 35.45 C ATOM 1117 CD2 TYR A 80 8.471 -0.228 0.872 1.00 32.51 C ATOM 1118 CE1 TYR A 80 8.790 2.397 1.591 1.00 74.13 C ATOM 1119 CE2 TYR A 80 9.034 0.655 -0.006 1.00 71.51 C ATOM 1120 CZ TYR A 80 9.195 1.965 0.352 1.00 35.33 C ATOM 1121 OH TYR A 80 9.750 2.848 -0.540 1.00 73.41 O ATOM 0 H TYR A 80 5.653 0.752 4.139 1.00 75.40 H new ATOM 0 HA TYR A 80 5.657 -1.196 1.940 1.00 60.34 H new ATOM 0 HB2 TYR A 80 7.706 -0.543 4.081 1.00 42.31 H new ATOM 0 HB3 TYR A 80 7.876 -1.801 2.873 1.00 42.31 H new ATOM 0 HD1 TYR A 80 7.904 1.840 3.443 1.00 35.45 H new ATOM 0 HD2 TYR A 80 8.351 -1.261 0.580 1.00 32.51 H new ATOM 0 HE1 TYR A 80 8.916 3.431 1.875 1.00 74.13 H new ATOM 0 HE2 TYR A 80 9.352 0.319 -0.982 1.00 71.51 H new ATOM 0 HH TYR A 80 9.981 2.376 -1.367 1.00 73.41 H new ATOM 1131 N LEU A 81 4.579 -2.847 3.475 1.00 21.43 N ATOM 1132 CA LEU A 81 4.091 -3.922 4.306 1.00 11.05 C ATOM 1133 C LEU A 81 5.133 -5.014 4.329 1.00 35.13 C ATOM 1134 O LEU A 81 5.442 -5.616 3.280 1.00 4.21 O ATOM 1135 CB LEU A 81 2.745 -4.466 3.781 1.00 20.53 C ATOM 1136 CG LEU A 81 1.577 -3.465 3.709 1.00 22.10 C ATOM 1137 CD1 LEU A 81 0.340 -4.135 3.142 1.00 42.35 C ATOM 1138 CD2 LEU A 81 1.259 -2.897 5.080 1.00 34.00 C ATOM 0 H LEU A 81 4.190 -2.828 2.532 1.00 21.43 H new ATOM 0 HA LEU A 81 3.916 -3.551 5.316 1.00 11.05 H new ATOM 0 HB2 LEU A 81 2.908 -4.872 2.783 1.00 20.53 H new ATOM 0 HB3 LEU A 81 2.442 -5.297 4.417 1.00 20.53 H new ATOM 0 HG LEU A 81 1.880 -2.649 3.053 1.00 22.10 H new ATOM 0 HD11 LEU A 81 -0.476 -3.414 3.098 1.00 42.35 H new ATOM 0 HD12 LEU A 81 0.553 -4.504 2.139 1.00 42.35 H new ATOM 0 HD13 LEU A 81 0.053 -4.970 3.782 1.00 42.35 H new ATOM 0 HD21 LEU A 81 0.431 -2.193 4.999 1.00 34.00 H new ATOM 0 HD22 LEU A 81 0.982 -3.707 5.754 1.00 34.00 H new ATOM 0 HD23 LEU A 81 2.136 -2.382 5.473 1.00 34.00 H new ATOM 1146 N ILE A 82 5.705 -5.250 5.488 1.00 25.13 N ATOM 1147 CA ILE A 82 6.734 -6.239 5.618 1.00 74.41 C ATOM 1148 C ILE A 82 6.107 -7.596 5.850 1.00 31.23 C ATOM 1149 O ILE A 82 5.582 -7.888 6.934 1.00 73.45 O ATOM 1150 CB ILE A 82 7.735 -5.906 6.747 1.00 0.42 C ATOM 1151 CG1 ILE A 82 8.371 -4.518 6.523 1.00 25.05 C ATOM 1152 CG2 ILE A 82 8.815 -6.976 6.819 1.00 30.43 C ATOM 1153 CD1 ILE A 82 9.154 -4.379 5.225 1.00 75.21 C ATOM 0 H ILE A 82 5.469 -4.765 6.354 1.00 25.13 H new ATOM 0 HA ILE A 82 7.302 -6.249 4.688 1.00 74.41 H new ATOM 0 HB ILE A 82 7.194 -5.884 7.693 1.00 0.42 H new ATOM 0 HG12 ILE A 82 7.583 -3.765 6.538 1.00 25.05 H new ATOM 0 HG13 ILE A 82 9.037 -4.299 7.358 1.00 25.05 H new ATOM 0 HG21 ILE A 82 9.516 -6.733 7.618 1.00 30.43 H new ATOM 0 HG22 ILE A 82 8.356 -7.943 7.022 1.00 30.43 H new ATOM 0 HG23 ILE A 82 9.348 -7.019 5.869 1.00 30.43 H new ATOM 0 HD11 ILE A 82 9.564 -3.372 5.154 1.00 75.21 H new ATOM 0 HD12 ILE A 82 9.968 -5.104 5.212 1.00 75.21 H new ATOM 0 HD13 ILE A 82 8.491 -4.562 4.379 1.00 75.21 H new ATOM 1160 N THR A 83 6.160 -8.397 4.827 1.00 73.32 N ATOM 1161 CA THR A 83 5.552 -9.695 4.811 1.00 64.21 C ATOM 1162 C THR A 83 6.233 -10.708 5.742 1.00 40.04 C ATOM 1163 O THR A 83 5.766 -10.959 6.849 1.00 71.14 O ATOM 1164 CB THR A 83 5.491 -10.228 3.371 1.00 24.01 C ATOM 1165 OG1 THR A 83 6.797 -10.121 2.753 1.00 12.33 O ATOM 1166 CG2 THR A 83 4.463 -9.457 2.557 1.00 72.43 C ATOM 0 H THR A 83 6.639 -8.160 3.959 1.00 73.32 H new ATOM 0 HA THR A 83 4.542 -9.572 5.201 1.00 64.21 H new ATOM 0 HB THR A 83 5.191 -11.276 3.399 1.00 24.01 H new ATOM 0 HG1 THR A 83 6.916 -9.217 2.395 1.00 12.33 H new ATOM 0 HG21 THR A 83 4.435 -9.850 1.541 1.00 72.43 H new ATOM 0 HG22 THR A 83 3.480 -9.566 3.015 1.00 72.43 H new ATOM 0 HG23 THR A 83 4.736 -8.402 2.531 1.00 72.43 H new ATOM 1172 N LYS A 84 7.321 -11.267 5.298 1.00 53.31 N ATOM 1173 CA LYS A 84 8.030 -12.251 6.058 1.00 61.12 C ATOM 1174 C LYS A 84 9.532 -11.996 5.866 1.00 4.31 C ATOM 1175 O LYS A 84 9.900 -11.135 5.052 1.00 25.20 O ATOM 1176 CB LYS A 84 7.561 -13.673 5.634 1.00 42.44 C ATOM 1177 CG LYS A 84 8.118 -14.824 6.468 1.00 35.42 C ATOM 1178 CD LYS A 84 7.505 -16.173 6.080 1.00 71.00 C ATOM 1179 CE LYS A 84 6.030 -16.307 6.461 1.00 5.51 C ATOM 1180 NZ LYS A 84 5.813 -16.304 7.923 1.00 15.41 N ATOM 0 H LYS A 84 7.742 -11.051 4.394 1.00 53.31 H new ATOM 0 HA LYS A 84 7.821 -12.182 7.126 1.00 61.12 H new ATOM 0 HB2 LYS A 84 6.473 -13.707 5.681 1.00 42.44 H new ATOM 0 HB3 LYS A 84 7.840 -13.833 4.593 1.00 42.44 H new ATOM 0 HG2 LYS A 84 9.200 -14.870 6.343 1.00 35.42 H new ATOM 0 HG3 LYS A 84 7.927 -14.631 7.524 1.00 35.42 H new ATOM 0 HD2 LYS A 84 7.608 -16.313 5.004 1.00 71.00 H new ATOM 0 HD3 LYS A 84 8.070 -16.971 6.561 1.00 71.00 H new ATOM 0 HE2 LYS A 84 5.468 -15.487 6.013 1.00 5.51 H new ATOM 0 HE3 LYS A 84 5.634 -17.232 6.041 1.00 5.51 H new ATOM 0 HZ1 LYS A 84 4.815 -16.516 8.126 1.00 15.41 H new ATOM 0 HZ2 LYS A 84 6.417 -17.026 8.365 1.00 15.41 H new ATOM 0 HZ3 LYS A 84 6.054 -15.368 8.308 1.00 15.41 H new ATOM 1194 N LYS A 85 10.390 -12.715 6.591 1.00 75.21 N ATOM 1195 CA LYS A 85 11.826 -12.413 6.606 1.00 41.23 C ATOM 1196 C LYS A 85 12.498 -12.460 5.238 1.00 12.22 C ATOM 1197 O LYS A 85 13.207 -11.527 4.855 1.00 51.20 O ATOM 1198 CB LYS A 85 12.584 -13.328 7.555 1.00 51.22 C ATOM 1199 CG LYS A 85 12.099 -13.284 8.979 1.00 12.05 C ATOM 1200 CD LYS A 85 13.006 -14.090 9.878 1.00 14.42 C ATOM 1201 CE LYS A 85 12.445 -14.179 11.270 1.00 71.41 C ATOM 1202 NZ LYS A 85 13.408 -14.765 12.222 1.00 22.22 N ATOM 0 H LYS A 85 10.120 -13.507 7.174 1.00 75.21 H new ATOM 0 HA LYS A 85 11.874 -11.381 6.955 1.00 41.23 H new ATOM 0 HB2 LYS A 85 12.510 -14.352 7.190 1.00 51.22 H new ATOM 0 HB3 LYS A 85 13.640 -13.058 7.535 1.00 51.22 H new ATOM 0 HG2 LYS A 85 12.062 -12.251 9.324 1.00 12.05 H new ATOM 0 HG3 LYS A 85 11.083 -13.675 9.034 1.00 12.05 H new ATOM 0 HD2 LYS A 85 13.133 -15.092 9.468 1.00 14.42 H new ATOM 0 HD3 LYS A 85 13.994 -13.631 9.909 1.00 14.42 H new ATOM 0 HE2 LYS A 85 12.161 -13.183 11.610 1.00 71.41 H new ATOM 0 HE3 LYS A 85 11.537 -14.782 11.256 1.00 71.41 H new ATOM 0 HZ1 LYS A 85 12.979 -14.807 13.168 1.00 22.22 H new ATOM 0 HZ2 LYS A 85 13.660 -15.726 11.913 1.00 22.22 H new ATOM 0 HZ3 LYS A 85 14.265 -14.176 12.256 1.00 22.22 H new ATOM 1216 N ARG A 86 12.266 -13.508 4.489 1.00 71.53 N ATOM 1217 CA ARG A 86 12.968 -13.676 3.232 1.00 71.31 C ATOM 1218 C ARG A 86 12.002 -13.989 2.132 1.00 22.33 C ATOM 1219 O ARG A 86 10.946 -14.552 2.387 1.00 0.33 O ATOM 1220 CB ARG A 86 14.012 -14.809 3.325 1.00 1.13 C ATOM 1221 CG ARG A 86 15.045 -14.647 4.437 1.00 40.43 C ATOM 1222 CD ARG A 86 15.803 -13.340 4.306 1.00 35.12 C ATOM 1223 NE ARG A 86 16.728 -13.124 5.414 1.00 12.12 N ATOM 1224 CZ ARG A 86 16.708 -12.041 6.217 1.00 15.22 C ATOM 1225 NH1 ARG A 86 15.721 -11.152 6.115 1.00 45.41 N ATOM 1226 NH2 ARG A 86 17.648 -11.874 7.130 1.00 34.34 N ATOM 0 H ARG A 86 11.607 -14.251 4.719 1.00 71.53 H new ATOM 0 HA ARG A 86 13.481 -12.739 3.014 1.00 71.31 H new ATOM 0 HB2 ARG A 86 13.488 -15.754 3.471 1.00 1.13 H new ATOM 0 HB3 ARG A 86 14.535 -14.879 2.371 1.00 1.13 H new ATOM 0 HG2 ARG A 86 14.547 -14.684 5.406 1.00 40.43 H new ATOM 0 HG3 ARG A 86 15.747 -15.480 4.407 1.00 40.43 H new ATOM 0 HD2 ARG A 86 16.357 -13.336 3.367 1.00 35.12 H new ATOM 0 HD3 ARG A 86 15.094 -12.514 4.261 1.00 35.12 H new ATOM 0 HE ARG A 86 17.435 -13.838 5.592 1.00 12.12 H new ATOM 0 HH11 ARG A 86 14.979 -11.290 5.429 1.00 45.41 H new ATOM 0 HH12 ARG A 86 15.707 -10.333 6.723 1.00 45.41 H new ATOM 0 HH21 ARG A 86 18.391 -12.565 7.229 1.00 34.34 H new ATOM 0 HH22 ARG A 86 17.630 -11.054 7.736 1.00 34.34 H new ATOM 1238 N ALA A 87 12.381 -13.645 0.914 1.00 3.33 N ATOM 1239 CA ALA A 87 11.568 -13.905 -0.278 1.00 2.34 C ATOM 1240 C ALA A 87 11.488 -15.405 -0.566 1.00 3.24 C ATOM 1241 O ALA A 87 10.603 -15.870 -1.275 1.00 23.21 O ATOM 1242 CB ALA A 87 12.120 -13.154 -1.474 1.00 72.22 C ATOM 0 H ALA A 87 13.264 -13.175 0.715 1.00 3.33 H new ATOM 0 HA ALA A 87 10.557 -13.545 -0.087 1.00 2.34 H new ATOM 0 HB1 ALA A 87 11.503 -13.360 -2.349 1.00 72.22 H new ATOM 0 HB2 ALA A 87 12.111 -12.084 -1.267 1.00 72.22 H new ATOM 0 HB3 ALA A 87 13.143 -13.478 -1.667 1.00 72.22 H new ATOM 1248 N SER A 88 12.436 -16.156 -0.010 1.00 40.33 N ATOM 1249 CA SER A 88 12.455 -17.600 -0.148 1.00 25.05 C ATOM 1250 C SER A 88 11.354 -18.223 0.737 1.00 11.21 C ATOM 1251 O SER A 88 11.016 -19.402 0.607 1.00 70.33 O ATOM 1252 CB SER A 88 13.850 -18.145 0.230 1.00 63.50 C ATOM 1253 OG SER A 88 13.934 -19.558 0.084 1.00 45.02 O ATOM 0 H SER A 88 13.205 -15.779 0.544 1.00 40.33 H new ATOM 0 HA SER A 88 12.254 -17.871 -1.184 1.00 25.05 H new ATOM 0 HB2 SER A 88 14.605 -17.671 -0.397 1.00 63.50 H new ATOM 0 HB3 SER A 88 14.077 -17.874 1.261 1.00 63.50 H new ATOM 0 HG SER A 88 13.032 -19.942 0.092 1.00 45.02 H new ATOM 1259 N HIS A 89 10.790 -17.415 1.615 1.00 1.54 N ATOM 1260 CA HIS A 89 9.712 -17.852 2.474 1.00 64.05 C ATOM 1261 C HIS A 89 8.419 -17.394 1.816 1.00 61.21 C ATOM 1262 O HIS A 89 8.431 -16.420 1.061 1.00 63.13 O ATOM 1263 CB HIS A 89 9.804 -17.208 3.879 1.00 11.15 C ATOM 1264 CG HIS A 89 11.052 -17.480 4.699 1.00 72.31 C ATOM 1265 ND1 HIS A 89 12.291 -17.882 4.346 1.00 23.11 N flip ATOM 1266 CD2 HIS A 89 11.114 -17.244 6.059 1.00 2.22 C flip ATOM 1267 CE1 HIS A 89 13.063 -17.869 5.483 1.00 0.05 C flip ATOM 1268 NE2 HIS A 89 12.330 -17.478 6.497 1.00 72.30 N flip ATOM 0 H HIS A 89 11.066 -16.443 1.751 1.00 1.54 H new ATOM 0 HA HIS A 89 9.760 -18.934 2.600 1.00 64.05 H new ATOM 0 HB2 HIS A 89 9.709 -16.129 3.760 1.00 11.15 H new ATOM 0 HB3 HIS A 89 8.943 -17.542 4.458 1.00 11.15 H new ATOM 0 HD2 HIS A 89 10.286 -16.916 6.670 1.00 2.22 H new ATOM 0 HE1 HIS A 89 14.108 -18.138 5.533 1.00 0.05 H new ATOM 0 HE2 HIS A 89 12.649 -17.373 7.460 1.00 72.30 H new ATOM 1277 N LYS A 90 7.336 -18.069 2.069 1.00 13.32 N ATOM 1278 CA LYS A 90 6.064 -17.677 1.483 1.00 55.42 C ATOM 1279 C LYS A 90 5.347 -16.700 2.409 1.00 13.13 C ATOM 1280 O LYS A 90 5.197 -16.979 3.602 1.00 24.23 O ATOM 1281 CB LYS A 90 5.173 -18.903 1.271 1.00 52.30 C ATOM 1282 CG LYS A 90 3.831 -18.584 0.605 1.00 23.12 C ATOM 1283 CD LYS A 90 2.913 -19.797 0.556 1.00 34.33 C ATOM 1284 CE LYS A 90 2.545 -20.269 1.958 1.00 5.15 C ATOM 1285 NZ LYS A 90 1.642 -21.435 1.934 1.00 53.24 N ATOM 0 H LYS A 90 7.296 -18.891 2.672 1.00 13.32 H new ATOM 0 HA LYS A 90 6.260 -17.203 0.521 1.00 55.42 H new ATOM 0 HB2 LYS A 90 5.709 -19.628 0.659 1.00 52.30 H new ATOM 0 HB3 LYS A 90 4.986 -19.376 2.235 1.00 52.30 H new ATOM 0 HG2 LYS A 90 3.338 -17.779 1.150 1.00 23.12 H new ATOM 0 HG3 LYS A 90 4.007 -18.222 -0.408 1.00 23.12 H new ATOM 0 HD2 LYS A 90 2.007 -19.548 0.004 1.00 34.33 H new ATOM 0 HD3 LYS A 90 3.404 -20.606 0.015 1.00 34.33 H new ATOM 0 HE2 LYS A 90 3.453 -20.526 2.503 1.00 5.15 H new ATOM 0 HE3 LYS A 90 2.068 -19.453 2.501 1.00 5.15 H new ATOM 0 HZ1 LYS A 90 1.419 -21.721 2.909 1.00 53.24 H new ATOM 0 HZ2 LYS A 90 0.764 -21.184 1.437 1.00 53.24 H new ATOM 0 HZ3 LYS A 90 2.106 -22.223 1.439 1.00 53.24 H new ATOM 1299 N PRO A 91 4.905 -15.535 1.902 1.00 14.44 N ATOM 1300 CA PRO A 91 4.145 -14.597 2.706 1.00 2.20 C ATOM 1301 C PRO A 91 2.792 -15.201 3.081 1.00 62.25 C ATOM 1302 O PRO A 91 2.159 -15.889 2.279 1.00 54.21 O ATOM 1303 CB PRO A 91 3.964 -13.382 1.791 1.00 2.53 C ATOM 1304 CG PRO A 91 4.145 -13.907 0.417 1.00 42.44 C ATOM 1305 CD PRO A 91 5.110 -15.050 0.519 1.00 63.11 C ATOM 0 HA PRO A 91 4.640 -14.340 3.642 1.00 2.20 H new ATOM 0 HB2 PRO A 91 2.977 -12.937 1.917 1.00 2.53 H new ATOM 0 HB3 PRO A 91 4.695 -12.606 2.016 1.00 2.53 H new ATOM 0 HG2 PRO A 91 3.194 -14.239 0.001 1.00 42.44 H new ATOM 0 HG3 PRO A 91 4.530 -13.132 -0.246 1.00 42.44 H new ATOM 0 HD2 PRO A 91 4.897 -15.825 -0.217 1.00 63.11 H new ATOM 0 HD3 PRO A 91 6.138 -14.727 0.353 1.00 63.11 H new ATOM 1313 N THR A 92 2.362 -14.963 4.279 1.00 33.14 N ATOM 1314 CA THR A 92 1.136 -15.539 4.752 1.00 0.20 C ATOM 1315 C THR A 92 0.078 -14.433 4.868 1.00 63.53 C ATOM 1316 O THR A 92 0.437 -13.252 5.006 1.00 24.40 O ATOM 1317 CB THR A 92 1.409 -16.157 6.138 1.00 3.01 C ATOM 1318 OG1 THR A 92 2.621 -16.897 6.048 1.00 23.20 O ATOM 1319 CG2 THR A 92 0.308 -17.107 6.545 1.00 11.51 C ATOM 0 H THR A 92 2.843 -14.370 4.955 1.00 33.14 H new ATOM 0 HA THR A 92 0.772 -16.305 4.067 1.00 0.20 H new ATOM 0 HB THR A 92 1.467 -15.358 6.877 1.00 3.01 H new ATOM 0 HG1 THR A 92 3.383 -16.292 6.162 1.00 23.20 H new ATOM 0 HG21 THR A 92 0.532 -17.525 7.527 1.00 11.51 H new ATOM 0 HG22 THR A 92 -0.639 -16.569 6.587 1.00 11.51 H new ATOM 0 HG23 THR A 92 0.235 -17.914 5.816 1.00 11.51 H new ATOM 1325 N TYR A 93 -1.206 -14.796 4.817 1.00 42.32 N ATOM 1326 CA TYR A 93 -2.283 -13.814 4.967 1.00 44.11 C ATOM 1327 C TYR A 93 -2.227 -13.203 6.348 1.00 2.45 C ATOM 1328 O TYR A 93 -2.539 -12.040 6.523 1.00 44.24 O ATOM 1329 CB TYR A 93 -3.661 -14.424 4.695 1.00 71.23 C ATOM 1330 CG TYR A 93 -3.859 -14.896 3.272 1.00 4.23 C ATOM 1331 CD1 TYR A 93 -3.290 -16.080 2.820 1.00 61.33 C ATOM 1332 CD2 TYR A 93 -4.613 -14.151 2.381 1.00 53.25 C ATOM 1333 CE1 TYR A 93 -3.471 -16.503 1.522 1.00 65.51 C ATOM 1334 CE2 TYR A 93 -4.800 -14.572 1.084 1.00 12.32 C ATOM 1335 CZ TYR A 93 -4.226 -15.748 0.660 1.00 54.31 C ATOM 1336 OH TYR A 93 -4.417 -16.178 -0.631 1.00 22.42 O ATOM 0 H TYR A 93 -1.524 -15.755 4.674 1.00 42.32 H new ATOM 0 HA TYR A 93 -2.133 -13.033 4.222 1.00 44.11 H new ATOM 0 HB2 TYR A 93 -3.813 -15.266 5.370 1.00 71.23 H new ATOM 0 HB3 TYR A 93 -4.426 -13.685 4.931 1.00 71.23 H new ATOM 0 HD1 TYR A 93 -2.697 -16.678 3.497 1.00 61.33 H new ATOM 0 HD2 TYR A 93 -5.061 -13.225 2.709 1.00 53.25 H new ATOM 0 HE1 TYR A 93 -3.021 -17.425 1.184 1.00 65.51 H new ATOM 0 HE2 TYR A 93 -5.395 -13.982 0.402 1.00 12.32 H new ATOM 0 HH TYR A 93 -5.375 -16.302 -0.796 1.00 22.42 H new ATOM 1346 N GLU A 94 -1.806 -14.014 7.315 1.00 34.22 N ATOM 1347 CA GLU A 94 -1.555 -13.571 8.680 1.00 63.21 C ATOM 1348 C GLU A 94 -0.590 -12.378 8.675 1.00 34.53 C ATOM 1349 O GLU A 94 -0.880 -11.329 9.245 1.00 0.01 O ATOM 1350 CB GLU A 94 -0.915 -14.717 9.464 1.00 63.14 C ATOM 1351 CG GLU A 94 -0.534 -14.367 10.887 1.00 4.40 C ATOM 1352 CD GLU A 94 0.238 -15.467 11.558 1.00 41.33 C ATOM 1353 OE1 GLU A 94 1.465 -15.569 11.324 1.00 74.44 O ATOM 1354 OE2 GLU A 94 -0.352 -16.243 12.327 1.00 21.04 O ATOM 0 H GLU A 94 -1.628 -15.008 7.169 1.00 34.22 H new ATOM 0 HA GLU A 94 -2.497 -13.274 9.140 1.00 63.21 H new ATOM 0 HB2 GLU A 94 -1.607 -15.559 9.483 1.00 63.14 H new ATOM 0 HB3 GLU A 94 -0.023 -15.050 8.934 1.00 63.14 H new ATOM 0 HG2 GLU A 94 0.063 -13.455 10.887 1.00 4.40 H new ATOM 0 HG3 GLU A 94 -1.436 -14.157 11.461 1.00 4.40 H new ATOM 1361 N ASN A 95 0.539 -12.547 7.970 1.00 12.14 N ATOM 1362 CA ASN A 95 1.594 -11.516 7.887 1.00 30.34 C ATOM 1363 C ASN A 95 1.034 -10.263 7.273 1.00 30.33 C ATOM 1364 O ASN A 95 1.269 -9.149 7.749 1.00 72.10 O ATOM 1365 CB ASN A 95 2.748 -11.993 6.994 1.00 42.02 C ATOM 1366 CG ASN A 95 3.397 -13.287 7.431 1.00 25.13 C ATOM 1367 OD1 ASN A 95 3.872 -14.055 6.590 1.00 23.02 O ATOM 1368 ND2 ASN A 95 3.429 -13.547 8.715 1.00 32.24 N ATOM 0 H ASN A 95 0.749 -13.395 7.443 1.00 12.14 H new ATOM 0 HA ASN A 95 1.956 -11.326 8.897 1.00 30.34 H new ATOM 0 HB2 ASN A 95 2.375 -12.116 5.977 1.00 42.02 H new ATOM 0 HB3 ASN A 95 3.510 -11.214 6.962 1.00 42.02 H new ATOM 0 HD21 ASN A 95 3.858 -14.410 9.050 1.00 32.24 H new ATOM 0 HD22 ASN A 95 3.025 -12.887 9.379 1.00 32.24 H new ATOM 1374 N LEU A 96 0.283 -10.459 6.215 1.00 41.34 N ATOM 1375 CA LEU A 96 -0.316 -9.381 5.481 1.00 10.25 C ATOM 1376 C LEU A 96 -1.328 -8.641 6.350 1.00 20.02 C ATOM 1377 O LEU A 96 -1.327 -7.418 6.399 1.00 5.45 O ATOM 1378 CB LEU A 96 -0.971 -9.931 4.211 1.00 63.54 C ATOM 1379 CG LEU A 96 -1.620 -8.916 3.274 1.00 31.44 C ATOM 1380 CD1 LEU A 96 -0.604 -7.889 2.801 1.00 54.23 C ATOM 1381 CD2 LEU A 96 -2.232 -9.631 2.090 1.00 14.32 C ATOM 0 H LEU A 96 0.071 -11.383 5.839 1.00 41.34 H new ATOM 0 HA LEU A 96 0.455 -8.666 5.193 1.00 10.25 H new ATOM 0 HB2 LEU A 96 -0.214 -10.477 3.648 1.00 63.54 H new ATOM 0 HB3 LEU A 96 -1.731 -10.654 4.507 1.00 63.54 H new ATOM 0 HG LEU A 96 -2.403 -8.390 3.820 1.00 31.44 H new ATOM 0 HD11 LEU A 96 -1.090 -7.177 2.135 1.00 54.23 H new ATOM 0 HD12 LEU A 96 -0.194 -7.360 3.661 1.00 54.23 H new ATOM 0 HD13 LEU A 96 0.202 -8.393 2.268 1.00 54.23 H new ATOM 0 HD21 LEU A 96 -2.694 -8.902 1.424 1.00 14.32 H new ATOM 0 HD22 LEU A 96 -1.455 -10.174 1.551 1.00 14.32 H new ATOM 0 HD23 LEU A 96 -2.988 -10.333 2.440 1.00 14.32 H new ATOM 1389 N GLN A 97 -2.154 -9.393 7.060 1.00 12.54 N ATOM 1390 CA GLN A 97 -3.171 -8.835 7.928 1.00 40.12 C ATOM 1391 C GLN A 97 -2.541 -7.980 9.018 1.00 43.53 C ATOM 1392 O GLN A 97 -2.986 -6.863 9.265 1.00 13.11 O ATOM 1393 CB GLN A 97 -4.001 -9.950 8.544 1.00 15.20 C ATOM 1394 CG GLN A 97 -5.125 -9.467 9.432 1.00 13.14 C ATOM 1395 CD GLN A 97 -5.917 -10.608 10.006 1.00 44.02 C ATOM 1396 OE1 GLN A 97 -5.390 -11.695 10.238 1.00 44.44 O ATOM 1397 NE2 GLN A 97 -7.168 -10.385 10.240 1.00 74.11 N ATOM 0 H GLN A 97 -2.135 -10.413 7.048 1.00 12.54 H new ATOM 0 HA GLN A 97 -3.823 -8.198 7.330 1.00 40.12 H new ATOM 0 HB2 GLN A 97 -4.421 -10.559 7.744 1.00 15.20 H new ATOM 0 HB3 GLN A 97 -3.345 -10.597 9.127 1.00 15.20 H new ATOM 0 HG2 GLN A 97 -4.714 -8.866 10.243 1.00 13.14 H new ATOM 0 HG3 GLN A 97 -5.787 -8.818 8.859 1.00 13.14 H new ATOM 0 HE21 GLN A 97 -7.570 -9.470 10.035 1.00 74.11 H new ATOM 0 HE22 GLN A 97 -7.753 -11.124 10.630 1.00 74.11 H new ATOM 1405 N LYS A 98 -1.479 -8.500 9.642 1.00 15.34 N ATOM 1406 CA LYS A 98 -0.755 -7.774 10.698 1.00 12.23 C ATOM 1407 C LYS A 98 -0.293 -6.424 10.181 1.00 33.45 C ATOM 1408 O LYS A 98 -0.384 -5.404 10.876 1.00 14.14 O ATOM 1409 CB LYS A 98 0.482 -8.561 11.156 1.00 71.44 C ATOM 1410 CG LYS A 98 0.196 -9.947 11.710 1.00 15.24 C ATOM 1411 CD LYS A 98 -0.700 -9.918 12.938 1.00 21.03 C ATOM 1412 CE LYS A 98 -0.051 -9.190 14.104 1.00 35.10 C ATOM 1413 NZ LYS A 98 -0.891 -9.242 15.316 1.00 43.12 N ATOM 0 H LYS A 98 -1.099 -9.424 9.435 1.00 15.34 H new ATOM 0 HA LYS A 98 -1.438 -7.646 11.538 1.00 12.23 H new ATOM 0 HB2 LYS A 98 1.165 -8.658 10.312 1.00 71.44 H new ATOM 0 HB3 LYS A 98 1.000 -7.981 11.920 1.00 71.44 H new ATOM 0 HG2 LYS A 98 -0.276 -10.552 10.936 1.00 15.24 H new ATOM 0 HG3 LYS A 98 1.138 -10.433 11.965 1.00 15.24 H new ATOM 0 HD2 LYS A 98 -1.642 -9.431 12.687 1.00 21.03 H new ATOM 0 HD3 LYS A 98 -0.938 -10.939 13.236 1.00 21.03 H new ATOM 0 HE2 LYS A 98 0.921 -9.636 14.316 1.00 35.10 H new ATOM 0 HE3 LYS A 98 0.128 -8.150 13.830 1.00 35.10 H new ATOM 0 HZ1 LYS A 98 -0.416 -8.735 16.090 1.00 43.12 H new ATOM 0 HZ2 LYS A 98 -1.809 -8.794 15.121 1.00 43.12 H new ATOM 0 HZ3 LYS A 98 -1.041 -10.233 15.592 1.00 43.12 H new ATOM 1427 N SER A 99 0.172 -6.432 8.961 1.00 43.05 N ATOM 1428 CA SER A 99 0.689 -5.260 8.319 1.00 62.34 C ATOM 1429 C SER A 99 -0.457 -4.284 7.906 1.00 65.13 C ATOM 1430 O SER A 99 -0.309 -3.057 8.016 1.00 33.22 O ATOM 1431 CB SER A 99 1.549 -5.701 7.133 1.00 35.31 C ATOM 1432 OG SER A 99 2.561 -6.601 7.579 1.00 1.14 O ATOM 0 H SER A 99 0.201 -7.268 8.378 1.00 43.05 H new ATOM 0 HA SER A 99 1.313 -4.696 9.012 1.00 62.34 H new ATOM 0 HB2 SER A 99 0.926 -6.184 6.380 1.00 35.31 H new ATOM 0 HB3 SER A 99 2.005 -4.832 6.660 1.00 35.31 H new ATOM 0 HG SER A 99 2.188 -7.505 7.646 1.00 1.14 H new ATOM 1438 N LEU A 100 -1.607 -4.836 7.472 1.00 31.11 N ATOM 1439 CA LEU A 100 -2.793 -4.022 7.112 1.00 51.33 C ATOM 1440 C LEU A 100 -3.262 -3.242 8.338 1.00 52.52 C ATOM 1441 O LEU A 100 -3.640 -2.062 8.260 1.00 32.30 O ATOM 1442 CB LEU A 100 -3.953 -4.922 6.630 1.00 34.12 C ATOM 1443 CG LEU A 100 -3.707 -5.805 5.397 1.00 71.30 C ATOM 1444 CD1 LEU A 100 -4.935 -6.660 5.102 1.00 74.43 C ATOM 1445 CD2 LEU A 100 -3.349 -4.958 4.185 1.00 71.02 C ATOM 0 H LEU A 100 -1.743 -5.841 7.361 1.00 31.11 H new ATOM 0 HA LEU A 100 -2.510 -3.342 6.308 1.00 51.33 H new ATOM 0 HB2 LEU A 100 -4.239 -5.572 7.457 1.00 34.12 H new ATOM 0 HB3 LEU A 100 -4.809 -4.281 6.418 1.00 34.12 H new ATOM 0 HG LEU A 100 -2.865 -6.463 5.613 1.00 71.30 H new ATOM 0 HD11 LEU A 100 -4.745 -7.280 4.226 1.00 74.43 H new ATOM 0 HD12 LEU A 100 -5.148 -7.299 5.959 1.00 74.43 H new ATOM 0 HD13 LEU A 100 -5.791 -6.013 4.910 1.00 74.43 H new ATOM 0 HD21 LEU A 100 -3.180 -5.606 3.325 1.00 71.02 H new ATOM 0 HD22 LEU A 100 -4.167 -4.272 3.966 1.00 71.02 H new ATOM 0 HD23 LEU A 100 -2.443 -4.388 4.394 1.00 71.02 H new ATOM 1453 N GLU A 101 -3.184 -3.911 9.461 1.00 71.11 N ATOM 1454 CA GLU A 101 -3.589 -3.372 10.764 1.00 1.30 C ATOM 1455 C GLU A 101 -2.699 -2.207 11.178 1.00 32.22 C ATOM 1456 O GLU A 101 -3.128 -1.284 11.879 1.00 72.40 O ATOM 1457 CB GLU A 101 -3.559 -4.487 11.825 1.00 4.22 C ATOM 1458 CG GLU A 101 -4.647 -5.550 11.650 1.00 55.41 C ATOM 1459 CD GLU A 101 -6.035 -5.061 12.033 1.00 41.21 C ATOM 1460 OE1 GLU A 101 -6.280 -3.844 12.031 1.00 33.12 O ATOM 1461 OE2 GLU A 101 -6.883 -5.901 12.416 1.00 61.31 O ATOM 0 H GLU A 101 -2.832 -4.867 9.511 1.00 71.11 H new ATOM 0 HA GLU A 101 -4.608 -2.993 10.680 1.00 1.30 H new ATOM 0 HB2 GLU A 101 -2.584 -4.973 11.797 1.00 4.22 H new ATOM 0 HB3 GLU A 101 -3.662 -4.037 12.812 1.00 4.22 H new ATOM 0 HG2 GLU A 101 -4.660 -5.879 10.611 1.00 55.41 H new ATOM 0 HG3 GLU A 101 -4.396 -6.420 12.257 1.00 55.41 H new ATOM 1468 N ALA A 102 -1.472 -2.242 10.736 1.00 53.23 N ATOM 1469 CA ALA A 102 -0.532 -1.197 11.043 1.00 24.21 C ATOM 1470 C ALA A 102 -0.825 0.057 10.220 1.00 14.41 C ATOM 1471 O ALA A 102 -0.696 1.182 10.713 1.00 15.45 O ATOM 1472 CB ALA A 102 0.884 -1.681 10.821 1.00 31.10 C ATOM 0 H ALA A 102 -1.096 -2.992 10.155 1.00 53.23 H new ATOM 0 HA ALA A 102 -0.638 -0.933 12.095 1.00 24.21 H new ATOM 0 HB1 ALA A 102 1.584 -0.879 11.057 1.00 31.10 H new ATOM 0 HB2 ALA A 102 1.081 -2.537 11.466 1.00 31.10 H new ATOM 0 HB3 ALA A 102 1.009 -1.976 9.779 1.00 31.10 H new ATOM 1478 N MET A 103 -1.253 -0.137 8.971 1.00 2.14 N ATOM 1479 CA MET A 103 -1.551 0.993 8.098 1.00 12.15 C ATOM 1480 C MET A 103 -2.727 1.792 8.586 1.00 24.14 C ATOM 1481 O MET A 103 -2.658 3.015 8.625 1.00 22.14 O ATOM 1482 CB MET A 103 -1.780 0.596 6.640 1.00 21.21 C ATOM 1483 CG MET A 103 -0.574 0.022 5.942 1.00 41.20 C ATOM 1484 SD MET A 103 -0.848 -0.213 4.169 1.00 23.11 S ATOM 1485 CE MET A 103 -2.229 -1.349 4.161 1.00 61.11 C ATOM 0 H MET A 103 -1.399 -1.054 8.548 1.00 2.14 H new ATOM 0 HA MET A 103 -0.655 1.612 8.136 1.00 12.15 H new ATOM 0 HB2 MET A 103 -2.587 -0.136 6.600 1.00 21.21 H new ATOM 0 HB3 MET A 103 -2.118 1.473 6.088 1.00 21.21 H new ATOM 0 HG2 MET A 103 0.278 0.686 6.090 1.00 41.20 H new ATOM 0 HG3 MET A 103 -0.316 -0.934 6.397 1.00 41.20 H new ATOM 0 HE1 MET A 103 -2.413 -1.691 3.143 1.00 61.11 H new ATOM 0 HE2 MET A 103 -2.000 -2.205 4.795 1.00 61.11 H new ATOM 0 HE3 MET A 103 -3.118 -0.844 4.540 1.00 61.11 H new ATOM 1495 N LYS A 104 -3.803 1.113 8.966 1.00 1.42 N ATOM 1496 CA LYS A 104 -5.008 1.798 9.423 1.00 10.31 C ATOM 1497 C LYS A 104 -4.744 2.677 10.625 1.00 22.33 C ATOM 1498 O LYS A 104 -5.202 3.817 10.672 1.00 52.35 O ATOM 1499 CB LYS A 104 -6.135 0.833 9.703 1.00 71.12 C ATOM 1500 CG LYS A 104 -5.868 -0.168 10.795 1.00 70.12 C ATOM 1501 CD LYS A 104 -7.095 -0.977 11.083 1.00 74.32 C ATOM 1502 CE LYS A 104 -8.245 -0.076 11.416 1.00 5.30 C ATOM 1503 NZ LYS A 104 -9.414 -0.839 11.887 1.00 32.10 N ATOM 0 H LYS A 104 -3.867 0.095 8.967 1.00 1.42 H new ATOM 0 HA LYS A 104 -5.320 2.446 8.604 1.00 10.31 H new ATOM 0 HB2 LYS A 104 -7.024 1.405 9.967 1.00 71.12 H new ATOM 0 HB3 LYS A 104 -6.365 0.292 8.785 1.00 71.12 H new ATOM 0 HG2 LYS A 104 -5.053 -0.828 10.499 1.00 70.12 H new ATOM 0 HG3 LYS A 104 -5.547 0.349 11.699 1.00 70.12 H new ATOM 0 HD2 LYS A 104 -7.345 -1.592 10.218 1.00 74.32 H new ATOM 0 HD3 LYS A 104 -6.904 -1.657 11.914 1.00 74.32 H new ATOM 0 HE2 LYS A 104 -7.940 0.635 12.184 1.00 5.30 H new ATOM 0 HE3 LYS A 104 -8.520 0.505 10.535 1.00 5.30 H new ATOM 0 HZ1 LYS A 104 -10.127 -0.183 12.267 1.00 32.10 H new ATOM 0 HZ2 LYS A 104 -9.823 -1.373 11.094 1.00 32.10 H new ATOM 0 HZ3 LYS A 104 -9.119 -1.500 12.634 1.00 32.10 H new ATOM 1517 N SER A 105 -3.991 2.158 11.574 1.00 22.32 N ATOM 1518 CA SER A 105 -3.631 2.906 12.758 1.00 5.11 C ATOM 1519 C SER A 105 -2.864 4.180 12.367 1.00 31.33 C ATOM 1520 O SER A 105 -3.224 5.280 12.791 1.00 1.41 O ATOM 1521 CB SER A 105 -2.798 2.030 13.712 1.00 14.15 C ATOM 1522 OG SER A 105 -2.460 2.728 14.898 1.00 0.43 O ATOM 0 H SER A 105 -3.614 1.211 11.545 1.00 22.32 H new ATOM 0 HA SER A 105 -4.541 3.202 13.280 1.00 5.11 H new ATOM 0 HB2 SER A 105 -3.360 1.131 13.966 1.00 14.15 H new ATOM 0 HB3 SER A 105 -1.888 1.706 13.208 1.00 14.15 H new ATOM 0 HG SER A 105 -1.933 2.144 15.482 1.00 0.43 H new ATOM 1528 N HIS A 106 -1.846 4.029 11.515 1.00 35.53 N ATOM 1529 CA HIS A 106 -1.054 5.169 11.067 1.00 75.01 C ATOM 1530 C HIS A 106 -1.917 6.181 10.299 1.00 60.11 C ATOM 1531 O HIS A 106 -1.769 7.396 10.471 1.00 44.31 O ATOM 1532 CB HIS A 106 0.132 4.722 10.190 1.00 40.24 C ATOM 1533 CG HIS A 106 0.955 5.877 9.681 1.00 62.33 C ATOM 1534 ND1 HIS A 106 0.715 6.489 8.472 1.00 72.21 N ATOM 1535 CD2 HIS A 106 1.976 6.559 10.239 1.00 54.43 C ATOM 1536 CE1 HIS A 106 1.527 7.487 8.312 1.00 52.20 C ATOM 1537 NE2 HIS A 106 2.311 7.560 9.361 1.00 74.44 N ATOM 0 H HIS A 106 -1.555 3.132 11.126 1.00 35.53 H new ATOM 0 HA HIS A 106 -0.661 5.653 11.961 1.00 75.01 H new ATOM 0 HB2 HIS A 106 0.771 4.053 10.766 1.00 40.24 H new ATOM 0 HB3 HIS A 106 -0.245 4.150 9.342 1.00 40.24 H new ATOM 0 HD1 HIS A 106 0.003 6.200 7.801 1.00 72.21 H new ATOM 0 HD2 HIS A 106 2.441 6.357 11.193 1.00 54.43 H new ATOM 0 HE1 HIS A 106 1.553 8.148 7.458 1.00 52.20 H new ATOM 1546 N CYS A 107 -2.799 5.679 9.452 1.00 64.22 N ATOM 1547 CA CYS A 107 -3.647 6.534 8.652 1.00 24.44 C ATOM 1548 C CYS A 107 -4.586 7.358 9.519 1.00 70.30 C ATOM 1549 O CYS A 107 -4.665 8.565 9.353 1.00 63.22 O ATOM 1550 CB CYS A 107 -4.413 5.737 7.601 1.00 21.44 C ATOM 1551 SG CYS A 107 -3.354 4.860 6.430 1.00 35.41 S ATOM 0 H CYS A 107 -2.944 4.680 9.303 1.00 64.22 H new ATOM 0 HA CYS A 107 -2.997 7.231 8.123 1.00 24.44 H new ATOM 0 HB2 CYS A 107 -5.056 5.015 8.104 1.00 21.44 H new ATOM 0 HB3 CYS A 107 -5.065 6.415 7.049 1.00 21.44 H new ATOM 0 HG CYS A 107 -2.780 3.859 7.029 1.00 35.41 H new ATOM 1557 N LEU A 108 -5.256 6.717 10.460 1.00 14.13 N ATOM 1558 CA LEU A 108 -6.171 7.420 11.363 1.00 41.51 C ATOM 1559 C LEU A 108 -5.407 8.442 12.201 1.00 64.43 C ATOM 1560 O LEU A 108 -5.839 9.587 12.359 1.00 33.13 O ATOM 1561 CB LEU A 108 -6.903 6.427 12.275 1.00 15.11 C ATOM 1562 CG LEU A 108 -7.801 5.401 11.577 1.00 32.23 C ATOM 1563 CD1 LEU A 108 -8.404 4.447 12.594 1.00 15.22 C ATOM 1564 CD2 LEU A 108 -8.901 6.096 10.789 1.00 73.40 C ATOM 0 H LEU A 108 -5.189 5.713 10.624 1.00 14.13 H new ATOM 0 HA LEU A 108 -6.912 7.944 10.760 1.00 41.51 H new ATOM 0 HB2 LEU A 108 -6.159 5.888 12.861 1.00 15.11 H new ATOM 0 HB3 LEU A 108 -7.513 6.994 12.978 1.00 15.11 H new ATOM 0 HG LEU A 108 -7.188 4.829 10.880 1.00 32.23 H new ATOM 0 HD11 LEU A 108 -9.040 3.724 12.083 1.00 15.22 H new ATOM 0 HD12 LEU A 108 -7.606 3.922 13.118 1.00 15.22 H new ATOM 0 HD13 LEU A 108 -9.000 5.010 13.312 1.00 15.22 H new ATOM 0 HD21 LEU A 108 -9.527 5.349 10.301 1.00 73.40 H new ATOM 0 HD22 LEU A 108 -9.511 6.694 11.466 1.00 73.40 H new ATOM 0 HD23 LEU A 108 -8.454 6.744 10.034 1.00 73.40 H new ATOM 1572 N LYS A 109 -4.258 8.023 12.695 1.00 43.12 N ATOM 1573 CA LYS A 109 -3.388 8.851 13.519 1.00 34.41 C ATOM 1574 C LYS A 109 -2.918 10.123 12.779 1.00 24.44 C ATOM 1575 O LYS A 109 -2.821 11.193 13.368 1.00 42.14 O ATOM 1576 CB LYS A 109 -2.171 8.010 13.954 1.00 24.14 C ATOM 1577 CG LYS A 109 -1.144 8.725 14.814 1.00 13.34 C ATOM 1578 CD LYS A 109 -1.727 9.197 16.133 1.00 21.55 C ATOM 1579 CE LYS A 109 -0.664 9.858 16.992 1.00 21.50 C ATOM 1580 NZ LYS A 109 0.425 8.918 17.356 1.00 52.12 N ATOM 0 H LYS A 109 -3.894 7.084 12.535 1.00 43.12 H new ATOM 0 HA LYS A 109 -3.954 9.183 14.389 1.00 34.41 H new ATOM 0 HB2 LYS A 109 -2.532 7.140 14.502 1.00 24.14 H new ATOM 0 HB3 LYS A 109 -1.672 7.639 13.059 1.00 24.14 H new ATOM 0 HG2 LYS A 109 -0.306 8.055 15.008 1.00 13.34 H new ATOM 0 HG3 LYS A 109 -0.748 9.581 14.267 1.00 13.34 H new ATOM 0 HD2 LYS A 109 -2.538 9.901 15.945 1.00 21.55 H new ATOM 0 HD3 LYS A 109 -2.158 8.351 16.668 1.00 21.55 H new ATOM 0 HE2 LYS A 109 -0.243 10.709 16.456 1.00 21.50 H new ATOM 0 HE3 LYS A 109 -1.124 10.248 17.900 1.00 21.50 H new ATOM 0 HZ1 LYS A 109 0.965 9.305 18.156 1.00 52.12 H new ATOM 0 HZ2 LYS A 109 0.016 8.001 17.625 1.00 52.12 H new ATOM 0 HZ3 LYS A 109 1.059 8.789 16.542 1.00 52.12 H new ATOM 1594 N ASN A 110 -2.624 9.992 11.496 1.00 0.22 N ATOM 1595 CA ASN A 110 -2.097 11.132 10.706 1.00 70.53 C ATOM 1596 C ASN A 110 -3.180 11.844 9.907 1.00 74.44 C ATOM 1597 O ASN A 110 -2.931 12.894 9.308 1.00 1.03 O ATOM 1598 CB ASN A 110 -0.968 10.690 9.742 1.00 12.20 C ATOM 1599 CG ASN A 110 0.339 10.271 10.412 1.00 63.42 C ATOM 1600 OD1 ASN A 110 0.270 9.748 11.592 1.00 40.01 O flip ATOM 1601 ND2 ASN A 110 1.409 10.415 9.836 1.00 43.30 N flip ATOM 0 H ASN A 110 -2.734 9.125 10.969 1.00 0.22 H new ATOM 0 HA ASN A 110 -1.694 11.831 11.439 1.00 70.53 H new ATOM 0 HB2 ASN A 110 -1.332 9.857 9.141 1.00 12.20 H new ATOM 0 HB3 ASN A 110 -0.758 11.510 9.055 1.00 12.20 H new ATOM 0 HD21 ASN A 110 1.435 10.831 8.905 1.00 43.30 H new ATOM 0 HD22 ASN A 110 2.275 10.119 10.287 1.00 43.30 H new ATOM 1607 N GLY A 111 -4.364 11.283 9.882 1.00 24.42 N ATOM 1608 CA GLY A 111 -5.436 11.867 9.099 1.00 24.32 C ATOM 1609 C GLY A 111 -5.253 11.580 7.621 1.00 43.54 C ATOM 1610 O GLY A 111 -5.539 12.419 6.766 1.00 22.04 O ATOM 0 H GLY A 111 -4.613 10.432 10.387 1.00 24.42 H new ATOM 0 HA2 GLY A 111 -6.394 11.468 9.434 1.00 24.32 H new ATOM 0 HA3 GLY A 111 -5.464 12.944 9.262 1.00 24.32 H new ATOM 1614 N VAL A 112 -4.760 10.405 7.334 1.00 73.33 N ATOM 1615 CA VAL A 112 -4.541 9.960 5.984 1.00 22.34 C ATOM 1616 C VAL A 112 -5.755 9.176 5.543 1.00 22.41 C ATOM 1617 O VAL A 112 -5.999 8.073 6.020 1.00 11.31 O ATOM 1618 CB VAL A 112 -3.255 9.090 5.864 1.00 33.13 C ATOM 1619 CG1 VAL A 112 -3.038 8.617 4.433 1.00 61.44 C ATOM 1620 CG2 VAL A 112 -2.056 9.882 6.337 1.00 21.23 C ATOM 0 H VAL A 112 -4.495 9.720 8.042 1.00 73.33 H new ATOM 0 HA VAL A 112 -4.394 10.828 5.341 1.00 22.34 H new ATOM 0 HB VAL A 112 -3.380 8.208 6.493 1.00 33.13 H new ATOM 0 HG11 VAL A 112 -2.132 8.012 4.383 1.00 61.44 H new ATOM 0 HG12 VAL A 112 -3.892 8.019 4.114 1.00 61.44 H new ATOM 0 HG13 VAL A 112 -2.934 9.481 3.776 1.00 61.44 H new ATOM 0 HG21 VAL A 112 -1.158 9.269 6.251 1.00 21.23 H new ATOM 0 HG22 VAL A 112 -1.945 10.776 5.723 1.00 21.23 H new ATOM 0 HG23 VAL A 112 -2.199 10.172 7.378 1.00 21.23 H new ATOM 1626 N THR A 113 -6.525 9.765 4.685 1.00 3.40 N ATOM 1627 CA THR A 113 -7.750 9.178 4.241 1.00 31.52 C ATOM 1628 C THR A 113 -7.617 8.568 2.863 1.00 54.12 C ATOM 1629 O THR A 113 -8.499 7.866 2.412 1.00 32.25 O ATOM 1630 CB THR A 113 -8.858 10.246 4.215 1.00 44.34 C ATOM 1631 OG1 THR A 113 -8.419 11.373 3.423 1.00 45.44 O ATOM 1632 CG2 THR A 113 -9.182 10.722 5.620 1.00 31.43 C ATOM 0 H THR A 113 -6.321 10.674 4.269 1.00 3.40 H new ATOM 0 HA THR A 113 -8.005 8.382 4.941 1.00 31.52 H new ATOM 0 HB THR A 113 -9.754 9.805 3.779 1.00 44.34 H new ATOM 0 HG1 THR A 113 -8.404 11.121 2.476 1.00 45.44 H new ATOM 0 HG21 THR A 113 -9.968 11.476 5.576 1.00 31.43 H new ATOM 0 HG22 THR A 113 -9.522 9.878 6.221 1.00 31.43 H new ATOM 0 HG23 THR A 113 -8.289 11.154 6.073 1.00 31.43 H new ATOM 1638 N ASP A 114 -6.520 8.830 2.203 1.00 52.24 N ATOM 1639 CA ASP A 114 -6.357 8.392 0.827 1.00 74.32 C ATOM 1640 C ASP A 114 -5.192 7.449 0.689 1.00 25.21 C ATOM 1641 O ASP A 114 -4.018 7.851 0.781 1.00 33.20 O ATOM 1642 CB ASP A 114 -6.206 9.595 -0.114 1.00 33.31 C ATOM 1643 CG ASP A 114 -7.414 10.512 -0.093 1.00 25.32 C ATOM 1644 OD1 ASP A 114 -7.571 11.277 0.890 1.00 51.31 O ATOM 1645 OD2 ASP A 114 -8.234 10.482 -1.047 1.00 11.24 O ATOM 0 H ASP A 114 -5.725 9.341 2.586 1.00 52.24 H new ATOM 0 HA ASP A 114 -7.257 7.849 0.540 1.00 74.32 H new ATOM 0 HB2 ASP A 114 -5.319 10.163 0.169 1.00 33.31 H new ATOM 0 HB3 ASP A 114 -6.045 9.237 -1.131 1.00 33.31 H new ATOM 1650 N LEU A 115 -5.512 6.198 0.498 1.00 61.34 N ATOM 1651 CA LEU A 115 -4.534 5.162 0.355 1.00 74.13 C ATOM 1652 C LEU A 115 -4.679 4.592 -1.065 1.00 12.44 C ATOM 1653 O LEU A 115 -5.779 4.204 -1.470 1.00 4.32 O ATOM 1654 CB LEU A 115 -4.857 4.047 1.381 1.00 32.22 C ATOM 1655 CG LEU A 115 -3.738 3.070 1.808 1.00 52.12 C ATOM 1656 CD1 LEU A 115 -3.024 2.426 0.640 1.00 64.31 C ATOM 1657 CD2 LEU A 115 -2.773 3.732 2.756 1.00 30.12 C ATOM 0 H LEU A 115 -6.475 5.868 0.437 1.00 61.34 H new ATOM 0 HA LEU A 115 -3.524 5.538 0.521 1.00 74.13 H new ATOM 0 HB2 LEU A 115 -5.233 4.530 2.283 1.00 32.22 H new ATOM 0 HB3 LEU A 115 -5.674 3.452 0.973 1.00 32.22 H new ATOM 0 HG LEU A 115 -4.229 2.254 2.337 1.00 52.12 H new ATOM 0 HD11 LEU A 115 -2.252 1.753 1.012 1.00 64.31 H new ATOM 0 HD12 LEU A 115 -3.740 1.862 0.042 1.00 64.31 H new ATOM 0 HD13 LEU A 115 -2.565 3.199 0.023 1.00 64.31 H new ATOM 0 HD21 LEU A 115 -1.997 3.022 3.040 1.00 30.12 H new ATOM 0 HD22 LEU A 115 -2.316 4.593 2.268 1.00 30.12 H new ATOM 0 HD23 LEU A 115 -3.307 4.061 3.647 1.00 30.12 H new ATOM 1665 N SER A 116 -3.615 4.563 -1.800 1.00 62.11 N ATOM 1666 CA SER A 116 -3.598 3.970 -3.108 1.00 43.11 C ATOM 1667 C SER A 116 -2.579 2.835 -3.154 1.00 22.22 C ATOM 1668 O SER A 116 -1.407 3.007 -2.804 1.00 35.14 O ATOM 1669 CB SER A 116 -3.350 5.013 -4.203 1.00 75.23 C ATOM 1670 OG SER A 116 -4.469 5.892 -4.345 1.00 51.00 O ATOM 0 H SER A 116 -2.719 4.954 -1.510 1.00 62.11 H new ATOM 0 HA SER A 116 -4.583 3.549 -3.308 1.00 43.11 H new ATOM 0 HB2 SER A 116 -2.458 5.592 -3.962 1.00 75.23 H new ATOM 0 HB3 SER A 116 -3.157 4.510 -5.151 1.00 75.23 H new ATOM 0 HG SER A 116 -4.283 6.548 -5.049 1.00 51.00 H new ATOM 1676 N MET A 117 -3.030 1.684 -3.561 1.00 23.42 N ATOM 1677 CA MET A 117 -2.200 0.499 -3.598 1.00 61.15 C ATOM 1678 C MET A 117 -2.518 -0.287 -4.868 1.00 44.34 C ATOM 1679 O MET A 117 -3.545 -0.046 -5.497 1.00 51.00 O ATOM 1680 CB MET A 117 -2.475 -0.379 -2.346 1.00 61.00 C ATOM 1681 CG MET A 117 -3.902 -0.902 -2.261 1.00 32.41 C ATOM 1682 SD MET A 117 -4.218 -1.983 -0.841 1.00 74.05 S ATOM 1683 CE MET A 117 -3.863 -0.913 0.546 1.00 32.12 C ATOM 0 H MET A 117 -3.987 1.533 -3.879 1.00 23.42 H new ATOM 0 HA MET A 117 -1.148 0.785 -3.598 1.00 61.15 H new ATOM 0 HB2 MET A 117 -1.788 -1.225 -2.350 1.00 61.00 H new ATOM 0 HB3 MET A 117 -2.258 0.204 -1.451 1.00 61.00 H new ATOM 0 HG2 MET A 117 -4.585 -0.054 -2.216 1.00 32.41 H new ATOM 0 HG3 MET A 117 -4.131 -1.448 -3.176 1.00 32.41 H new ATOM 0 HE1 MET A 117 -3.985 -1.469 1.475 1.00 32.12 H new ATOM 0 HE2 MET A 117 -2.838 -0.550 0.472 1.00 32.12 H new ATOM 0 HE3 MET A 117 -4.549 -0.066 0.537 1.00 32.12 H new ATOM 1693 N PRO A 118 -1.639 -1.191 -5.294 1.00 31.32 N ATOM 1694 CA PRO A 118 -1.907 -2.049 -6.429 1.00 31.45 C ATOM 1695 C PRO A 118 -2.523 -3.358 -5.947 1.00 1.25 C ATOM 1696 O PRO A 118 -2.955 -3.465 -4.794 1.00 5.11 O ATOM 1697 CB PRO A 118 -0.503 -2.310 -6.968 1.00 74.43 C ATOM 1698 CG PRO A 118 0.361 -2.349 -5.742 1.00 3.41 C ATOM 1699 CD PRO A 118 -0.301 -1.451 -4.720 1.00 12.10 C ATOM 0 HA PRO A 118 -2.593 -1.621 -7.160 1.00 31.45 H new ATOM 0 HB2 PRO A 118 -0.456 -3.250 -7.518 1.00 74.43 H new ATOM 0 HB3 PRO A 118 -0.187 -1.523 -7.653 1.00 74.43 H new ATOM 0 HG2 PRO A 118 0.451 -3.367 -5.363 1.00 3.41 H new ATOM 0 HG3 PRO A 118 1.370 -2.002 -5.967 1.00 3.41 H new ATOM 0 HD2 PRO A 118 -0.371 -1.936 -3.746 1.00 12.10 H new ATOM 0 HD3 PRO A 118 0.259 -0.527 -4.576 1.00 12.10 H new ATOM 1707 N ARG A 119 -2.569 -4.344 -6.806 1.00 1.32 N ATOM 1708 CA ARG A 119 -3.012 -5.646 -6.385 1.00 54.01 C ATOM 1709 C ARG A 119 -1.902 -6.357 -5.607 1.00 61.23 C ATOM 1710 O ARG A 119 -0.977 -6.929 -6.201 1.00 61.34 O ATOM 1711 CB ARG A 119 -3.448 -6.527 -7.559 1.00 2.44 C ATOM 1712 CG ARG A 119 -4.776 -6.182 -8.199 1.00 72.13 C ATOM 1713 CD ARG A 119 -5.048 -7.153 -9.339 1.00 74.43 C ATOM 1714 NE ARG A 119 -6.401 -7.033 -9.897 1.00 62.43 N ATOM 1715 CZ ARG A 119 -6.724 -7.325 -11.167 1.00 41.34 C ATOM 1716 NH1 ARG A 119 -5.767 -7.533 -12.075 1.00 71.31 N ATOM 1717 NH2 ARG A 119 -7.998 -7.350 -11.534 1.00 21.44 N ATOM 0 H ARG A 119 -2.308 -4.271 -7.789 1.00 1.32 H new ATOM 0 HA ARG A 119 -3.881 -5.490 -5.745 1.00 54.01 H new ATOM 0 HB2 ARG A 119 -2.676 -6.481 -8.327 1.00 2.44 H new ATOM 0 HB3 ARG A 119 -3.493 -7.560 -7.214 1.00 2.44 H new ATOM 0 HG2 ARG A 119 -5.575 -6.237 -7.460 1.00 72.13 H new ATOM 0 HG3 ARG A 119 -4.758 -5.158 -8.573 1.00 72.13 H new ATOM 0 HD2 ARG A 119 -4.320 -6.984 -10.132 1.00 74.43 H new ATOM 0 HD3 ARG A 119 -4.899 -8.172 -8.982 1.00 74.43 H new ATOM 0 HE ARG A 119 -7.144 -6.706 -9.279 1.00 62.43 H new ATOM 0 HH11 ARG A 119 -4.785 -7.470 -11.805 1.00 71.31 H new ATOM 0 HH12 ARG A 119 -6.018 -7.755 -13.039 1.00 71.31 H new ATOM 0 HH21 ARG A 119 -8.729 -7.148 -10.852 1.00 21.44 H new ATOM 0 HH22 ARG A 119 -8.247 -7.571 -12.498 1.00 21.44 H new ATOM 1729 N ILE A 120 -1.945 -6.262 -4.312 1.00 15.13 N ATOM 1730 CA ILE A 120 -1.009 -6.988 -3.486 1.00 32.22 C ATOM 1731 C ILE A 120 -1.641 -8.292 -3.080 1.00 63.21 C ATOM 1732 O ILE A 120 -2.803 -8.323 -2.712 1.00 74.51 O ATOM 1733 CB ILE A 120 -0.485 -6.213 -2.215 1.00 3.11 C ATOM 1734 CG1 ILE A 120 -1.592 -5.871 -1.162 1.00 53.21 C ATOM 1735 CG2 ILE A 120 0.280 -4.959 -2.620 1.00 3.02 C ATOM 1736 CD1 ILE A 120 -2.646 -4.880 -1.604 1.00 63.42 C ATOM 0 H ILE A 120 -2.616 -5.691 -3.798 1.00 15.13 H new ATOM 0 HA ILE A 120 -0.118 -7.142 -4.095 1.00 32.22 H new ATOM 0 HB ILE A 120 0.191 -6.906 -1.713 1.00 3.11 H new ATOM 0 HG12 ILE A 120 -2.090 -6.797 -0.875 1.00 53.21 H new ATOM 0 HG13 ILE A 120 -1.106 -5.480 -0.268 1.00 53.21 H new ATOM 0 HG21 ILE A 120 0.631 -4.442 -1.727 1.00 3.02 H new ATOM 0 HG22 ILE A 120 1.134 -5.237 -3.237 1.00 3.02 H new ATOM 0 HG23 ILE A 120 -0.377 -4.299 -3.186 1.00 3.02 H new ATOM 0 HD11 ILE A 120 -3.358 -4.721 -0.794 1.00 63.42 H new ATOM 0 HD12 ILE A 120 -2.171 -3.933 -1.860 1.00 63.42 H new ATOM 0 HD13 ILE A 120 -3.170 -5.271 -2.476 1.00 63.42 H new ATOM 1743 N GLY A 121 -0.901 -9.356 -3.173 1.00 1.52 N ATOM 1744 CA GLY A 121 -1.469 -10.624 -2.870 1.00 22.12 C ATOM 1745 C GLY A 121 -2.072 -11.245 -4.103 1.00 32.43 C ATOM 1746 O GLY A 121 -3.279 -11.427 -4.181 1.00 12.30 O ATOM 0 H GLY A 121 0.080 -9.368 -3.452 1.00 1.52 H new ATOM 0 HA2 GLY A 121 -0.703 -11.283 -2.462 1.00 22.12 H new ATOM 0 HA3 GLY A 121 -2.234 -10.511 -2.102 1.00 22.12 H new ATOM 1750 N CYS A 122 -1.210 -11.561 -5.062 1.00 10.22 N ATOM 1751 CA CYS A 122 -1.602 -12.149 -6.345 1.00 5.52 C ATOM 1752 C CYS A 122 -0.379 -12.392 -7.233 1.00 64.34 C ATOM 1753 O CYS A 122 -0.422 -13.213 -8.159 1.00 70.14 O ATOM 1754 CB CYS A 122 -2.605 -11.253 -7.096 1.00 62.55 C ATOM 1755 SG CYS A 122 -1.991 -9.596 -7.485 1.00 33.24 S ATOM 0 H CYS A 122 -0.204 -11.416 -4.973 1.00 10.22 H new ATOM 0 HA CYS A 122 -2.082 -13.102 -6.123 1.00 5.52 H new ATOM 0 HB2 CYS A 122 -2.890 -11.748 -8.025 1.00 62.55 H new ATOM 0 HB3 CYS A 122 -3.509 -11.159 -6.495 1.00 62.55 H new ATOM 0 HG CYS A 122 -1.759 -8.949 -6.382 1.00 33.24 H new ATOM 1761 N GLY A 123 0.719 -11.709 -6.932 1.00 35.11 N ATOM 1762 CA GLY A 123 1.877 -11.770 -7.793 1.00 60.31 C ATOM 1763 C GLY A 123 2.934 -12.725 -7.303 1.00 44.30 C ATOM 1764 O GLY A 123 2.681 -13.923 -7.161 1.00 34.51 O ATOM 0 H GLY A 123 0.825 -11.116 -6.109 1.00 35.11 H new ATOM 0 HA2 GLY A 123 1.562 -12.069 -8.793 1.00 60.31 H new ATOM 0 HA3 GLY A 123 2.310 -10.773 -7.880 1.00 60.31 H new ATOM 1768 N LEU A 124 4.112 -12.185 -7.010 1.00 24.34 N ATOM 1769 CA LEU A 124 5.274 -12.981 -6.570 1.00 31.42 C ATOM 1770 C LEU A 124 5.053 -13.522 -5.167 1.00 12.31 C ATOM 1771 O LEU A 124 5.727 -14.454 -4.717 1.00 4.05 O ATOM 1772 CB LEU A 124 6.590 -12.159 -6.610 1.00 12.22 C ATOM 1773 CG LEU A 124 7.106 -11.665 -7.986 1.00 61.25 C ATOM 1774 CD1 LEU A 124 6.203 -10.600 -8.602 1.00 14.31 C ATOM 1775 CD2 LEU A 124 8.528 -11.153 -7.867 1.00 35.32 C ATOM 0 H LEU A 124 4.298 -11.184 -7.068 1.00 24.34 H new ATOM 0 HA LEU A 124 5.373 -13.812 -7.268 1.00 31.42 H new ATOM 0 HB2 LEU A 124 6.456 -11.285 -5.972 1.00 12.22 H new ATOM 0 HB3 LEU A 124 7.375 -12.766 -6.159 1.00 12.22 H new ATOM 0 HG LEU A 124 7.090 -12.523 -8.659 1.00 61.25 H new ATOM 0 HD11 LEU A 124 6.611 -10.289 -9.564 1.00 14.31 H new ATOM 0 HD12 LEU A 124 5.203 -11.010 -8.747 1.00 14.31 H new ATOM 0 HD13 LEU A 124 6.149 -9.739 -7.936 1.00 14.31 H new ATOM 0 HD21 LEU A 124 8.874 -10.810 -8.842 1.00 35.32 H new ATOM 0 HD22 LEU A 124 8.558 -10.324 -7.159 1.00 35.32 H new ATOM 0 HD23 LEU A 124 9.175 -11.956 -7.514 1.00 35.32 H new ATOM 1783 N ASP A 125 4.113 -12.914 -4.495 1.00 73.00 N ATOM 1784 CA ASP A 125 3.710 -13.276 -3.151 1.00 70.14 C ATOM 1785 C ASP A 125 2.976 -14.637 -3.142 1.00 63.10 C ATOM 1786 O ASP A 125 3.089 -15.399 -2.190 1.00 3.13 O ATOM 1787 CB ASP A 125 2.816 -12.166 -2.590 1.00 61.24 C ATOM 1788 CG ASP A 125 1.636 -11.890 -3.491 1.00 61.02 C ATOM 1789 OD1 ASP A 125 0.703 -12.655 -3.474 1.00 5.23 O ATOM 1790 OD2 ASP A 125 1.662 -10.886 -4.260 1.00 75.40 O ATOM 0 H ASP A 125 3.586 -12.127 -4.875 1.00 73.00 H new ATOM 0 HA ASP A 125 4.594 -13.383 -2.522 1.00 70.14 H new ATOM 0 HB2 ASP A 125 2.459 -12.451 -1.600 1.00 61.24 H new ATOM 0 HB3 ASP A 125 3.401 -11.255 -2.467 1.00 61.24 H new ATOM 1795 N ARG A 126 2.253 -14.913 -4.238 1.00 43.23 N ATOM 1796 CA ARG A 126 1.510 -16.177 -4.482 1.00 44.10 C ATOM 1797 C ARG A 126 0.179 -16.261 -3.704 1.00 12.53 C ATOM 1798 O ARG A 126 -0.378 -17.353 -3.542 1.00 64.13 O ATOM 1799 CB ARG A 126 2.372 -17.435 -4.209 1.00 13.45 C ATOM 1800 CG ARG A 126 3.722 -17.442 -4.905 1.00 51.34 C ATOM 1801 CD ARG A 126 3.611 -17.253 -6.407 1.00 60.53 C ATOM 1802 NE ARG A 126 4.937 -17.236 -7.030 1.00 22.21 N ATOM 1803 CZ ARG A 126 5.283 -16.528 -8.110 1.00 40.15 C ATOM 1804 NH1 ARG A 126 4.392 -15.746 -8.723 1.00 32.25 N ATOM 1805 NH2 ARG A 126 6.532 -16.593 -8.559 1.00 64.24 N ATOM 0 H ARG A 126 2.161 -14.249 -5.007 1.00 43.23 H new ATOM 0 HA ARG A 126 1.266 -16.157 -5.544 1.00 44.10 H new ATOM 0 HB2 ARG A 126 2.532 -17.523 -3.134 1.00 13.45 H new ATOM 0 HB3 ARG A 126 1.813 -18.317 -4.521 1.00 13.45 H new ATOM 0 HG2 ARG A 126 4.344 -16.650 -4.489 1.00 51.34 H new ATOM 0 HG3 ARG A 126 4.227 -18.386 -4.699 1.00 51.34 H new ATOM 0 HD2 ARG A 126 3.013 -18.057 -6.836 1.00 60.53 H new ATOM 0 HD3 ARG A 126 3.091 -16.320 -6.623 1.00 60.53 H new ATOM 0 HE ARG A 126 5.660 -17.815 -6.602 1.00 22.21 H new ATOM 0 HH11 ARG A 126 3.438 -15.685 -8.368 1.00 32.25 H new ATOM 0 HH12 ARG A 126 4.665 -15.210 -9.546 1.00 32.25 H new ATOM 0 HH21 ARG A 126 7.216 -17.179 -8.080 1.00 64.24 H new ATOM 0 HH22 ARG A 126 6.807 -16.057 -9.382 1.00 64.24 H new ATOM 1817 N LEU A 127 -0.337 -15.137 -3.252 1.00 32.34 N ATOM 1818 CA LEU A 127 -1.630 -15.098 -2.576 1.00 32.23 C ATOM 1819 C LEU A 127 -2.760 -14.866 -3.576 1.00 0.43 C ATOM 1820 O LEU A 127 -2.521 -14.521 -4.731 1.00 62.21 O ATOM 1821 CB LEU A 127 -1.674 -14.032 -1.449 1.00 12.12 C ATOM 1822 CG LEU A 127 -0.890 -14.325 -0.143 1.00 75.52 C ATOM 1823 CD1 LEU A 127 0.587 -14.495 -0.379 1.00 12.41 C ATOM 1824 CD2 LEU A 127 -1.132 -13.236 0.885 1.00 54.14 C ATOM 0 H LEU A 127 0.118 -14.228 -3.338 1.00 32.34 H new ATOM 0 HA LEU A 127 -1.771 -16.071 -2.106 1.00 32.23 H new ATOM 0 HB2 LEU A 127 -1.300 -13.094 -1.860 1.00 12.12 H new ATOM 0 HB3 LEU A 127 -2.718 -13.869 -1.183 1.00 12.12 H new ATOM 0 HG LEU A 127 -1.268 -15.273 0.240 1.00 75.52 H new ATOM 0 HD11 LEU A 127 1.086 -14.698 0.569 1.00 12.41 H new ATOM 0 HD12 LEU A 127 0.753 -15.328 -1.062 1.00 12.41 H new ATOM 0 HD13 LEU A 127 0.993 -13.582 -0.815 1.00 12.41 H new ATOM 0 HD21 LEU A 127 -0.573 -13.462 1.793 1.00 54.14 H new ATOM 0 HD22 LEU A 127 -0.802 -12.278 0.484 1.00 54.14 H new ATOM 0 HD23 LEU A 127 -2.196 -13.185 1.118 1.00 54.14 H new ATOM 1832 N GLN A 128 -3.977 -15.118 -3.146 1.00 73.20 N ATOM 1833 CA GLN A 128 -5.154 -14.908 -3.972 1.00 21.21 C ATOM 1834 C GLN A 128 -5.828 -13.595 -3.626 1.00 4.12 C ATOM 1835 O GLN A 128 -6.319 -13.416 -2.491 1.00 30.23 O ATOM 1836 CB GLN A 128 -6.158 -16.046 -3.834 1.00 21.53 C ATOM 1837 CG GLN A 128 -5.778 -17.375 -4.472 1.00 32.00 C ATOM 1838 CD GLN A 128 -4.526 -18.024 -3.900 1.00 21.12 C ATOM 1839 OE1 GLN A 128 -3.424 -17.802 -4.378 1.00 1.23 O ATOM 1840 NE2 GLN A 128 -4.693 -18.819 -2.883 1.00 24.21 N ATOM 0 H GLN A 128 -4.183 -15.475 -2.213 1.00 73.20 H new ATOM 0 HA GLN A 128 -4.812 -14.879 -5.006 1.00 21.21 H new ATOM 0 HB2 GLN A 128 -6.335 -16.217 -2.772 1.00 21.53 H new ATOM 0 HB3 GLN A 128 -7.104 -15.719 -4.266 1.00 21.53 H new ATOM 0 HG2 GLN A 128 -6.612 -18.067 -4.360 1.00 32.00 H new ATOM 0 HG3 GLN A 128 -5.634 -17.220 -5.541 1.00 32.00 H new ATOM 0 HE21 GLN A 128 -5.629 -18.981 -2.510 1.00 24.21 H new ATOM 0 HE22 GLN A 128 -3.888 -19.280 -2.459 1.00 24.21 H new ATOM 1848 N TRP A 129 -5.910 -12.713 -4.601 1.00 13.04 N ATOM 1849 CA TRP A 129 -6.468 -11.369 -4.416 1.00 21.31 C ATOM 1850 C TRP A 129 -7.908 -11.354 -3.952 1.00 31.44 C ATOM 1851 O TRP A 129 -8.292 -10.469 -3.198 1.00 43.40 O ATOM 1852 CB TRP A 129 -6.220 -10.473 -5.655 1.00 63.43 C ATOM 1853 CG TRP A 129 -6.916 -9.137 -5.628 1.00 11.14 C ATOM 1854 CD1 TRP A 129 -7.992 -8.772 -6.380 1.00 31.52 C ATOM 1855 CD2 TRP A 129 -6.607 -8.007 -4.799 1.00 73.20 C ATOM 1856 NE1 TRP A 129 -8.366 -7.490 -6.079 1.00 20.33 N ATOM 1857 CE2 TRP A 129 -7.533 -6.996 -5.112 1.00 11.11 C ATOM 1858 CE3 TRP A 129 -5.642 -7.756 -3.831 1.00 71.30 C ATOM 1859 CZ2 TRP A 129 -7.519 -5.749 -4.484 1.00 15.31 C ATOM 1860 CZ3 TRP A 129 -5.629 -6.527 -3.211 1.00 54.25 C ATOM 1861 CH2 TRP A 129 -6.560 -5.538 -3.536 1.00 32.22 C ATOM 0 H TRP A 129 -5.593 -12.899 -5.552 1.00 13.04 H new ATOM 0 HA TRP A 129 -5.916 -10.929 -3.585 1.00 21.31 H new ATOM 0 HB2 TRP A 129 -5.148 -10.304 -5.753 1.00 63.43 H new ATOM 0 HB3 TRP A 129 -6.540 -11.014 -6.545 1.00 63.43 H new ATOM 0 HD1 TRP A 129 -8.479 -9.403 -7.108 1.00 31.52 H new ATOM 0 HE1 TRP A 129 -9.141 -6.984 -6.507 1.00 20.33 H new ATOM 0 HE3 TRP A 129 -4.916 -8.511 -3.570 1.00 71.30 H new ATOM 0 HZ2 TRP A 129 -8.237 -4.983 -4.738 1.00 15.31 H new ATOM 0 HZ3 TRP A 129 -4.883 -6.323 -2.457 1.00 54.25 H new ATOM 0 HH2 TRP A 129 -6.520 -4.586 -3.027 1.00 32.22 H new ATOM 1872 N GLU A 130 -8.689 -12.322 -4.359 1.00 30.42 N ATOM 1873 CA GLU A 130 -10.081 -12.363 -3.947 1.00 51.42 C ATOM 1874 C GLU A 130 -10.197 -12.460 -2.420 1.00 3.24 C ATOM 1875 O GLU A 130 -11.062 -11.830 -1.818 1.00 62.30 O ATOM 1876 CB GLU A 130 -10.819 -13.485 -4.659 1.00 2.53 C ATOM 1877 CG GLU A 130 -10.803 -13.310 -6.169 1.00 63.43 C ATOM 1878 CD GLU A 130 -11.497 -14.415 -6.908 1.00 61.23 C ATOM 1879 OE1 GLU A 130 -10.894 -15.490 -7.068 1.00 74.14 O ATOM 1880 OE2 GLU A 130 -12.631 -14.212 -7.381 1.00 11.31 O ATOM 0 H GLU A 130 -8.396 -13.086 -4.968 1.00 30.42 H new ATOM 0 HA GLU A 130 -10.561 -11.429 -4.240 1.00 51.42 H new ATOM 0 HB2 GLU A 130 -10.363 -14.440 -4.400 1.00 2.53 H new ATOM 0 HB3 GLU A 130 -11.851 -13.519 -4.309 1.00 2.53 H new ATOM 0 HG2 GLU A 130 -11.277 -12.361 -6.422 1.00 63.43 H new ATOM 0 HG3 GLU A 130 -9.769 -13.250 -6.509 1.00 63.43 H new ATOM 1887 N ASN A 131 -9.284 -13.212 -1.800 1.00 35.24 N ATOM 1888 CA ASN A 131 -9.259 -13.324 -0.327 1.00 62.04 C ATOM 1889 C ASN A 131 -8.676 -12.065 0.279 1.00 12.31 C ATOM 1890 O ASN A 131 -9.227 -11.500 1.223 1.00 24.32 O ATOM 1891 CB ASN A 131 -8.416 -14.506 0.144 1.00 14.20 C ATOM 1892 CG ASN A 131 -8.855 -15.818 -0.412 1.00 75.11 C ATOM 1893 OD1 ASN A 131 -8.270 -16.181 -1.518 1.00 32.42 O flip ATOM 1894 ND2 ASN A 131 -9.704 -16.507 0.154 1.00 5.01 N flip ATOM 0 H ASN A 131 -8.560 -13.747 -2.280 1.00 35.24 H new ATOM 0 HA ASN A 131 -10.289 -13.473 -0.004 1.00 62.04 H new ATOM 0 HB2 ASN A 131 -7.377 -14.333 -0.135 1.00 14.20 H new ATOM 0 HB3 ASN A 131 -8.450 -14.554 1.232 1.00 14.20 H new ATOM 0 HD21 ASN A 131 -10.133 -16.179 1.019 1.00 5.01 H new ATOM 0 HD22 ASN A 131 -9.978 -17.406 -0.242 1.00 5.01 H new ATOM 1900 N VAL A 132 -7.550 -11.631 -0.286 1.00 55.40 N ATOM 1901 CA VAL A 132 -6.818 -10.455 0.188 1.00 70.33 C ATOM 1902 C VAL A 132 -7.707 -9.227 0.212 1.00 1.45 C ATOM 1903 O VAL A 132 -7.837 -8.576 1.240 1.00 44.33 O ATOM 1904 CB VAL A 132 -5.568 -10.178 -0.686 1.00 12.51 C ATOM 1905 CG1 VAL A 132 -4.838 -8.928 -0.213 1.00 64.25 C ATOM 1906 CG2 VAL A 132 -4.634 -11.372 -0.663 1.00 53.05 C ATOM 0 H VAL A 132 -7.117 -12.087 -1.089 1.00 55.40 H new ATOM 0 HA VAL A 132 -6.491 -10.671 1.205 1.00 70.33 H new ATOM 0 HB VAL A 132 -5.901 -10.011 -1.710 1.00 12.51 H new ATOM 0 HG11 VAL A 132 -3.965 -8.756 -0.843 1.00 64.25 H new ATOM 0 HG12 VAL A 132 -5.507 -8.070 -0.278 1.00 64.25 H new ATOM 0 HG13 VAL A 132 -4.519 -9.062 0.821 1.00 64.25 H new ATOM 0 HG21 VAL A 132 -3.761 -11.163 -1.281 1.00 53.05 H new ATOM 0 HG22 VAL A 132 -4.316 -11.565 0.361 1.00 53.05 H new ATOM 0 HG23 VAL A 132 -5.153 -12.248 -1.053 1.00 53.05 H new ATOM 1912 N SER A 133 -8.329 -8.949 -0.913 1.00 22.04 N ATOM 1913 CA SER A 133 -9.216 -7.822 -1.073 1.00 54.22 C ATOM 1914 C SER A 133 -10.331 -7.826 -0.006 1.00 60.32 C ATOM 1915 O SER A 133 -10.600 -6.797 0.628 1.00 24.34 O ATOM 1916 CB SER A 133 -9.775 -7.835 -2.512 1.00 4.41 C ATOM 1917 OG SER A 133 -10.766 -6.855 -2.735 1.00 12.25 O ATOM 0 H SER A 133 -8.229 -9.512 -1.757 1.00 22.04 H new ATOM 0 HA SER A 133 -8.665 -6.894 -0.921 1.00 54.22 H new ATOM 0 HB2 SER A 133 -8.956 -7.680 -3.214 1.00 4.41 H new ATOM 0 HB3 SER A 133 -10.193 -8.819 -2.723 1.00 4.41 H new ATOM 0 HG SER A 133 -10.905 -6.744 -3.699 1.00 12.25 H new ATOM 1923 N ALA A 134 -10.930 -8.990 0.227 1.00 20.14 N ATOM 1924 CA ALA A 134 -11.986 -9.120 1.221 1.00 70.32 C ATOM 1925 C ALA A 134 -11.444 -8.831 2.615 1.00 10.13 C ATOM 1926 O ALA A 134 -12.063 -8.096 3.395 1.00 12.45 O ATOM 1927 CB ALA A 134 -12.607 -10.510 1.167 1.00 42.53 C ATOM 0 H ALA A 134 -10.701 -9.856 -0.260 1.00 20.14 H new ATOM 0 HA ALA A 134 -12.763 -8.390 0.994 1.00 70.32 H new ATOM 0 HB1 ALA A 134 -13.394 -10.586 1.918 1.00 42.53 H new ATOM 0 HB2 ALA A 134 -13.031 -10.681 0.178 1.00 42.53 H new ATOM 0 HB3 ALA A 134 -11.841 -11.259 1.367 1.00 42.53 H new ATOM 1933 N MET A 135 -10.272 -9.393 2.906 1.00 71.43 N ATOM 1934 CA MET A 135 -9.605 -9.213 4.193 1.00 54.03 C ATOM 1935 C MET A 135 -9.241 -7.744 4.424 1.00 0.24 C ATOM 1936 O MET A 135 -9.405 -7.231 5.528 1.00 62.14 O ATOM 1937 CB MET A 135 -8.358 -10.118 4.288 1.00 71.02 C ATOM 1938 CG MET A 135 -7.605 -10.030 5.616 1.00 12.50 C ATOM 1939 SD MET A 135 -6.240 -11.225 5.741 1.00 63.34 S ATOM 1940 CE MET A 135 -5.190 -10.740 4.372 1.00 70.53 C ATOM 0 H MET A 135 -9.758 -9.987 2.255 1.00 71.43 H new ATOM 0 HA MET A 135 -10.299 -9.508 4.981 1.00 54.03 H new ATOM 0 HB2 MET A 135 -8.663 -11.152 4.127 1.00 71.02 H new ATOM 0 HB3 MET A 135 -7.674 -9.857 3.480 1.00 71.02 H new ATOM 0 HG2 MET A 135 -7.210 -9.021 5.737 1.00 12.50 H new ATOM 0 HG3 MET A 135 -8.304 -10.198 6.435 1.00 12.50 H new ATOM 0 HE1 MET A 135 -4.214 -11.213 4.477 1.00 70.53 H new ATOM 0 HE2 MET A 135 -5.647 -11.055 3.434 1.00 70.53 H new ATOM 0 HE3 MET A 135 -5.070 -9.657 4.372 1.00 70.53 H new ATOM 1950 N ILE A 136 -8.763 -7.068 3.374 1.00 71.34 N ATOM 1951 CA ILE A 136 -8.435 -5.654 3.451 1.00 74.22 C ATOM 1952 C ILE A 136 -9.679 -4.859 3.823 1.00 12.30 C ATOM 1953 O ILE A 136 -9.639 -4.004 4.723 1.00 53.31 O ATOM 1954 CB ILE A 136 -7.848 -5.118 2.111 1.00 53.54 C ATOM 1955 CG1 ILE A 136 -6.537 -5.835 1.765 1.00 34.43 C ATOM 1956 CG2 ILE A 136 -7.624 -3.615 2.185 1.00 62.20 C ATOM 1957 CD1 ILE A 136 -5.929 -5.408 0.442 1.00 64.14 C ATOM 0 H ILE A 136 -8.596 -7.487 2.459 1.00 71.34 H new ATOM 0 HA ILE A 136 -7.671 -5.532 4.218 1.00 74.22 H new ATOM 0 HB ILE A 136 -8.571 -5.322 1.321 1.00 53.54 H new ATOM 0 HG12 ILE A 136 -5.815 -5.653 2.561 1.00 34.43 H new ATOM 0 HG13 ILE A 136 -6.719 -6.909 1.739 1.00 34.43 H new ATOM 0 HG21 ILE A 136 -7.214 -3.261 1.239 1.00 62.20 H new ATOM 0 HG22 ILE A 136 -8.573 -3.115 2.379 1.00 62.20 H new ATOM 0 HG23 ILE A 136 -6.925 -3.391 2.990 1.00 62.20 H new ATOM 0 HD11 ILE A 136 -5.005 -5.961 0.271 1.00 64.14 H new ATOM 0 HD12 ILE A 136 -6.631 -5.616 -0.365 1.00 64.14 H new ATOM 0 HD13 ILE A 136 -5.713 -4.340 0.469 1.00 64.14 H new ATOM 1964 N GLU A 137 -10.795 -5.167 3.164 1.00 20.23 N ATOM 1965 CA GLU A 137 -12.037 -4.486 3.454 1.00 3.41 C ATOM 1966 C GLU A 137 -12.476 -4.706 4.894 1.00 14.42 C ATOM 1967 O GLU A 137 -12.950 -3.796 5.520 1.00 64.40 O ATOM 1968 CB GLU A 137 -13.164 -4.848 2.482 1.00 74.33 C ATOM 1969 CG GLU A 137 -12.884 -4.481 1.038 1.00 0.43 C ATOM 1970 CD GLU A 137 -14.109 -4.599 0.167 1.00 54.00 C ATOM 1971 OE1 GLU A 137 -14.388 -5.693 -0.362 1.00 5.43 O ATOM 1972 OE2 GLU A 137 -14.830 -3.580 0.011 1.00 3.31 O ATOM 0 H GLU A 137 -10.856 -5.877 2.435 1.00 20.23 H new ATOM 0 HA GLU A 137 -11.831 -3.425 3.315 1.00 3.41 H new ATOM 0 HB2 GLU A 137 -13.350 -5.920 2.543 1.00 74.33 H new ATOM 0 HB3 GLU A 137 -14.078 -4.347 2.801 1.00 74.33 H new ATOM 0 HG2 GLU A 137 -12.506 -3.460 0.992 1.00 0.43 H new ATOM 0 HG3 GLU A 137 -12.100 -5.129 0.647 1.00 0.43 H new ATOM 1979 N GLU A 138 -12.267 -5.901 5.420 1.00 72.33 N ATOM 1980 CA GLU A 138 -12.655 -6.208 6.801 1.00 72.13 C ATOM 1981 C GLU A 138 -11.852 -5.386 7.813 1.00 31.25 C ATOM 1982 O GLU A 138 -12.348 -5.027 8.886 1.00 13.55 O ATOM 1983 CB GLU A 138 -12.527 -7.699 7.095 1.00 22.13 C ATOM 1984 CG GLU A 138 -13.424 -8.560 6.234 1.00 71.12 C ATOM 1985 CD GLU A 138 -13.373 -10.009 6.608 1.00 12.14 C ATOM 1986 OE1 GLU A 138 -14.130 -10.424 7.504 1.00 55.44 O ATOM 1987 OE2 GLU A 138 -12.592 -10.766 6.020 1.00 61.12 O ATOM 0 H GLU A 138 -11.833 -6.677 4.920 1.00 72.33 H new ATOM 0 HA GLU A 138 -13.704 -5.930 6.906 1.00 72.13 H new ATOM 0 HB2 GLU A 138 -11.491 -8.004 6.946 1.00 22.13 H new ATOM 0 HB3 GLU A 138 -12.763 -7.877 8.144 1.00 22.13 H new ATOM 0 HG2 GLU A 138 -14.451 -8.204 6.318 1.00 71.12 H new ATOM 0 HG3 GLU A 138 -13.133 -8.449 5.190 1.00 71.12 H new ATOM 1994 N VAL A 139 -10.624 -5.097 7.473 1.00 35.42 N ATOM 1995 CA VAL A 139 -9.751 -4.309 8.325 1.00 62.13 C ATOM 1996 C VAL A 139 -10.139 -2.806 8.309 1.00 40.15 C ATOM 1997 O VAL A 139 -10.191 -2.150 9.363 1.00 70.00 O ATOM 1998 CB VAL A 139 -8.252 -4.495 7.908 1.00 30.25 C ATOM 1999 CG1 VAL A 139 -7.332 -3.606 8.718 1.00 52.42 C ATOM 2000 CG2 VAL A 139 -7.828 -5.950 8.069 1.00 43.11 C ATOM 0 H VAL A 139 -10.193 -5.398 6.599 1.00 35.42 H new ATOM 0 HA VAL A 139 -9.876 -4.672 9.345 1.00 62.13 H new ATOM 0 HB VAL A 139 -8.170 -4.207 6.860 1.00 30.25 H new ATOM 0 HG11 VAL A 139 -6.301 -3.763 8.400 1.00 52.42 H new ATOM 0 HG12 VAL A 139 -7.605 -2.562 8.562 1.00 52.42 H new ATOM 0 HG13 VAL A 139 -7.427 -3.852 9.776 1.00 52.42 H new ATOM 0 HG21 VAL A 139 -6.784 -6.060 7.775 1.00 43.11 H new ATOM 0 HG22 VAL A 139 -7.945 -6.250 9.110 1.00 43.11 H new ATOM 0 HG23 VAL A 139 -8.451 -6.583 7.437 1.00 43.11 H new ATOM 2006 N PHE A 140 -10.401 -2.280 7.127 1.00 53.23 N ATOM 2007 CA PHE A 140 -10.686 -0.846 6.960 1.00 61.12 C ATOM 2008 C PHE A 140 -12.192 -0.480 6.878 1.00 2.21 C ATOM 2009 O PHE A 140 -12.526 0.698 6.740 1.00 44.22 O ATOM 2010 CB PHE A 140 -9.955 -0.306 5.727 1.00 2.54 C ATOM 2011 CG PHE A 140 -8.455 -0.393 5.813 1.00 64.25 C ATOM 2012 CD1 PHE A 140 -7.788 -1.558 5.464 1.00 62.34 C ATOM 2013 CD2 PHE A 140 -7.715 0.693 6.237 1.00 74.32 C ATOM 2014 CE1 PHE A 140 -6.413 -1.636 5.539 1.00 4.40 C ATOM 2015 CE2 PHE A 140 -6.337 0.620 6.310 1.00 32.44 C ATOM 2016 CZ PHE A 140 -5.686 -0.547 5.961 1.00 64.41 C ATOM 0 H PHE A 140 -10.425 -2.816 6.260 1.00 53.23 H new ATOM 0 HA PHE A 140 -10.319 -0.373 7.871 1.00 61.12 H new ATOM 0 HB2 PHE A 140 -10.290 -0.858 4.849 1.00 2.54 H new ATOM 0 HB3 PHE A 140 -10.240 0.735 5.577 1.00 2.54 H new ATOM 0 HD1 PHE A 140 -8.353 -2.415 5.129 1.00 62.34 H new ATOM 0 HD2 PHE A 140 -8.218 1.608 6.514 1.00 74.32 H new ATOM 0 HE1 PHE A 140 -5.908 -2.551 5.267 1.00 4.40 H new ATOM 0 HE2 PHE A 140 -5.768 1.477 6.640 1.00 32.44 H new ATOM 0 HZ PHE A 140 -4.609 -0.604 6.019 1.00 64.41 H new ATOM 2026 N GLU A 141 -13.078 -1.456 6.986 1.00 61.40 N ATOM 2027 CA GLU A 141 -14.531 -1.228 6.763 1.00 51.45 C ATOM 2028 C GLU A 141 -15.164 -0.148 7.618 1.00 65.14 C ATOM 2029 O GLU A 141 -15.977 0.639 7.126 1.00 74.33 O ATOM 2030 CB GLU A 141 -15.353 -2.515 6.815 1.00 30.55 C ATOM 2031 CG GLU A 141 -15.232 -3.303 8.102 1.00 4.35 C ATOM 2032 CD GLU A 141 -16.128 -4.507 8.112 1.00 61.12 C ATOM 2033 OE1 GLU A 141 -15.728 -5.568 7.597 1.00 61.34 O ATOM 2034 OE2 GLU A 141 -17.255 -4.403 8.622 1.00 30.21 O ATOM 0 H GLU A 141 -12.836 -2.418 7.225 1.00 61.40 H new ATOM 0 HA GLU A 141 -14.560 -0.842 5.744 1.00 51.45 H new ATOM 0 HB2 GLU A 141 -16.402 -2.264 6.658 1.00 30.55 H new ATOM 0 HB3 GLU A 141 -15.051 -3.155 5.986 1.00 30.55 H new ATOM 0 HG2 GLU A 141 -14.198 -3.620 8.237 1.00 4.35 H new ATOM 0 HG3 GLU A 141 -15.481 -2.659 8.946 1.00 4.35 H new ATOM 2041 N ALA A 142 -14.791 -0.087 8.852 1.00 72.12 N ATOM 2042 CA ALA A 142 -15.398 0.873 9.754 1.00 33.53 C ATOM 2043 C ALA A 142 -14.666 2.208 9.745 1.00 22.33 C ATOM 2044 O ALA A 142 -15.051 3.138 10.450 1.00 75.10 O ATOM 2045 CB ALA A 142 -15.501 0.312 11.159 1.00 71.23 C ATOM 0 H ALA A 142 -14.075 -0.680 9.271 1.00 72.12 H new ATOM 0 HA ALA A 142 -16.408 1.061 9.391 1.00 33.53 H new ATOM 0 HB1 ALA A 142 -15.960 1.053 11.814 1.00 71.23 H new ATOM 0 HB2 ALA A 142 -16.113 -0.590 11.147 1.00 71.23 H new ATOM 0 HB3 ALA A 142 -14.504 0.069 11.528 1.00 71.23 H new ATOM 2051 N THR A 143 -13.634 2.320 8.933 1.00 14.34 N ATOM 2052 CA THR A 143 -12.901 3.558 8.854 1.00 74.22 C ATOM 2053 C THR A 143 -13.294 4.315 7.592 1.00 74.13 C ATOM 2054 O THR A 143 -13.884 3.737 6.666 1.00 34.33 O ATOM 2055 CB THR A 143 -11.361 3.350 8.887 1.00 64.44 C ATOM 2056 OG1 THR A 143 -10.936 2.519 7.805 1.00 42.11 O ATOM 2057 CG2 THR A 143 -10.916 2.725 10.195 1.00 52.10 C ATOM 0 H THR A 143 -13.290 1.575 8.327 1.00 14.34 H new ATOM 0 HA THR A 143 -13.164 4.140 9.737 1.00 74.22 H new ATOM 0 HB THR A 143 -10.903 4.334 8.791 1.00 64.44 H new ATOM 0 HG1 THR A 143 -11.720 2.138 7.358 1.00 42.11 H new ATOM 0 HG21 THR A 143 -9.834 2.593 10.186 1.00 52.10 H new ATOM 0 HG22 THR A 143 -11.195 3.377 11.023 1.00 52.10 H new ATOM 0 HG23 THR A 143 -11.399 1.755 10.318 1.00 52.10 H new ATOM 2063 N ASP A 144 -12.961 5.586 7.549 1.00 12.44 N ATOM 2064 CA ASP A 144 -13.282 6.440 6.403 1.00 14.13 C ATOM 2065 C ASP A 144 -12.102 6.478 5.435 1.00 11.12 C ATOM 2066 O ASP A 144 -12.060 7.283 4.501 1.00 61.33 O ATOM 2067 CB ASP A 144 -13.629 7.860 6.880 1.00 72.51 C ATOM 2068 CG ASP A 144 -12.466 8.572 7.543 1.00 51.24 C ATOM 2069 OD1 ASP A 144 -12.123 8.235 8.707 1.00 34.01 O ATOM 2070 OD2 ASP A 144 -11.899 9.489 6.938 1.00 75.44 O ATOM 0 H ASP A 144 -12.462 6.065 8.299 1.00 12.44 H new ATOM 0 HA ASP A 144 -14.148 6.027 5.885 1.00 14.13 H new ATOM 0 HB2 ASP A 144 -13.968 8.449 6.028 1.00 72.51 H new ATOM 0 HB3 ASP A 144 -14.461 7.807 7.582 1.00 72.51 H new ATOM 2075 N ILE A 145 -11.162 5.586 5.662 1.00 65.20 N ATOM 2076 CA ILE A 145 -9.980 5.467 4.843 1.00 21.44 C ATOM 2077 C ILE A 145 -10.360 4.885 3.487 1.00 43.23 C ATOM 2078 O ILE A 145 -11.037 3.853 3.406 1.00 64.13 O ATOM 2079 CB ILE A 145 -8.928 4.549 5.525 1.00 4.23 C ATOM 2080 CG1 ILE A 145 -8.566 5.107 6.906 1.00 73.43 C ATOM 2081 CG2 ILE A 145 -7.668 4.421 4.653 1.00 60.23 C ATOM 2082 CD1 ILE A 145 -7.640 4.220 7.708 1.00 1.21 C ATOM 0 H ILE A 145 -11.200 4.916 6.430 1.00 65.20 H new ATOM 0 HA ILE A 145 -9.544 6.458 4.713 1.00 21.44 H new ATOM 0 HB ILE A 145 -9.360 3.555 5.645 1.00 4.23 H new ATOM 0 HG12 ILE A 145 -8.098 6.083 6.780 1.00 73.43 H new ATOM 0 HG13 ILE A 145 -9.483 5.264 7.474 1.00 73.43 H new ATOM 0 HG21 ILE A 145 -6.946 3.774 5.150 1.00 60.23 H new ATOM 0 HG22 ILE A 145 -7.936 3.991 3.688 1.00 60.23 H new ATOM 0 HG23 ILE A 145 -7.228 5.407 4.502 1.00 60.23 H new ATOM 0 HD11 ILE A 145 -7.433 4.686 8.671 1.00 1.21 H new ATOM 0 HD12 ILE A 145 -8.113 3.251 7.868 1.00 1.21 H new ATOM 0 HD13 ILE A 145 -6.706 4.082 7.163 1.00 1.21 H new ATOM 2089 N LYS A 146 -9.959 5.557 2.449 1.00 13.55 N ATOM 2090 CA LYS A 146 -10.228 5.121 1.112 1.00 32.34 C ATOM 2091 C LYS A 146 -9.076 4.289 0.653 1.00 22.44 C ATOM 2092 O LYS A 146 -7.920 4.696 0.792 1.00 22.41 O ATOM 2093 CB LYS A 146 -10.249 6.289 0.172 1.00 32.22 C ATOM 2094 CG LYS A 146 -11.116 7.449 0.539 1.00 60.10 C ATOM 2095 CD LYS A 146 -10.811 8.531 -0.442 1.00 25.41 C ATOM 2096 CE LYS A 146 -11.454 9.847 -0.110 1.00 10.40 C ATOM 2097 NZ LYS A 146 -10.988 10.906 -1.037 1.00 73.51 N ATOM 0 H LYS A 146 -9.433 6.429 2.507 1.00 13.55 H new ATOM 0 HA LYS A 146 -11.180 4.591 1.112 1.00 32.34 H new ATOM 0 HB2 LYS A 146 -9.227 6.653 0.063 1.00 32.22 H new ATOM 0 HB3 LYS A 146 -10.565 5.928 -0.807 1.00 32.22 H new ATOM 0 HG2 LYS A 146 -12.170 7.174 0.498 1.00 60.10 H new ATOM 0 HG3 LYS A 146 -10.912 7.779 1.557 1.00 60.10 H new ATOM 0 HD2 LYS A 146 -9.731 8.668 -0.494 1.00 25.41 H new ATOM 0 HD3 LYS A 146 -11.141 8.215 -1.432 1.00 25.41 H new ATOM 0 HE2 LYS A 146 -12.538 9.754 -0.172 1.00 10.40 H new ATOM 0 HE3 LYS A 146 -11.216 10.125 0.917 1.00 10.40 H new ATOM 0 HZ1 LYS A 146 -11.126 11.838 -0.597 1.00 73.51 H new ATOM 0 HZ2 LYS A 146 -9.978 10.766 -1.244 1.00 73.51 H new ATOM 0 HZ3 LYS A 146 -11.533 10.857 -1.922 1.00 73.51 H new ATOM 2111 N ILE A 147 -9.360 3.177 0.107 1.00 31.41 N ATOM 2112 CA ILE A 147 -8.350 2.354 -0.481 1.00 23.22 C ATOM 2113 C ILE A 147 -8.623 2.171 -1.925 1.00 12.21 C ATOM 2114 O ILE A 147 -9.533 1.470 -2.330 1.00 21.20 O ATOM 2115 CB ILE A 147 -8.112 1.014 0.252 1.00 70.03 C ATOM 2116 CG1 ILE A 147 -7.457 1.316 1.587 1.00 72.15 C ATOM 2117 CG2 ILE A 147 -7.242 0.070 -0.585 1.00 60.11 C ATOM 2118 CD1 ILE A 147 -7.121 0.111 2.417 1.00 74.31 C ATOM 0 H ILE A 147 -10.304 2.795 0.047 1.00 31.41 H new ATOM 0 HA ILE A 147 -7.405 2.886 -0.366 1.00 23.22 H new ATOM 0 HB ILE A 147 -9.064 0.507 0.410 1.00 70.03 H new ATOM 0 HG12 ILE A 147 -6.542 1.880 1.406 1.00 72.15 H new ATOM 0 HG13 ILE A 147 -8.121 1.961 2.163 1.00 72.15 H new ATOM 0 HG21 ILE A 147 -7.092 -0.864 -0.043 1.00 60.11 H new ATOM 0 HG22 ILE A 147 -7.738 -0.137 -1.533 1.00 60.11 H new ATOM 0 HG23 ILE A 147 -6.276 0.538 -0.775 1.00 60.11 H new ATOM 0 HD11 ILE A 147 -6.657 0.430 3.351 1.00 74.31 H new ATOM 0 HD12 ILE A 147 -8.032 -0.446 2.636 1.00 74.31 H new ATOM 0 HD13 ILE A 147 -6.429 -0.528 1.868 1.00 74.31 H new ATOM 2125 N THR A 148 -7.864 2.825 -2.687 1.00 55.33 N ATOM 2126 CA THR A 148 -8.029 2.810 -4.093 1.00 32.32 C ATOM 2127 C THR A 148 -6.963 1.923 -4.714 1.00 65.53 C ATOM 2128 O THR A 148 -5.763 2.167 -4.541 1.00 23.24 O ATOM 2129 CB THR A 148 -7.945 4.248 -4.648 1.00 15.14 C ATOM 2130 OG1 THR A 148 -8.915 5.072 -3.966 1.00 62.13 O ATOM 2131 CG2 THR A 148 -8.245 4.276 -6.130 1.00 73.00 C ATOM 0 H THR A 148 -7.090 3.403 -2.360 1.00 55.33 H new ATOM 0 HA THR A 148 -9.010 2.407 -4.346 1.00 32.32 H new ATOM 0 HB THR A 148 -6.934 4.622 -4.486 1.00 15.14 H new ATOM 0 HG1 THR A 148 -8.867 5.988 -4.312 1.00 62.13 H new ATOM 0 HG21 THR A 148 -8.179 5.301 -6.495 1.00 73.00 H new ATOM 0 HG22 THR A 148 -7.522 3.655 -6.659 1.00 73.00 H new ATOM 0 HG23 THR A 148 -9.250 3.893 -6.305 1.00 73.00 H new ATOM 2137 N VAL A 149 -7.385 0.882 -5.395 1.00 35.23 N ATOM 2138 CA VAL A 149 -6.440 0.012 -6.021 1.00 52.25 C ATOM 2139 C VAL A 149 -6.430 0.281 -7.503 1.00 4.21 C ATOM 2140 O VAL A 149 -7.494 0.351 -8.156 1.00 64.01 O ATOM 2141 CB VAL A 149 -6.664 -1.526 -5.730 1.00 45.20 C ATOM 2142 CG1 VAL A 149 -6.799 -1.802 -4.254 1.00 1.13 C ATOM 2143 CG2 VAL A 149 -7.816 -2.133 -6.504 1.00 41.34 C ATOM 0 H VAL A 149 -8.364 0.627 -5.524 1.00 35.23 H new ATOM 0 HA VAL A 149 -5.469 0.238 -5.580 1.00 52.25 H new ATOM 0 HB VAL A 149 -5.763 -2.021 -6.091 1.00 45.20 H new ATOM 0 HG11 VAL A 149 -6.952 -2.870 -4.096 1.00 1.13 H new ATOM 0 HG12 VAL A 149 -5.891 -1.485 -3.740 1.00 1.13 H new ATOM 0 HG13 VAL A 149 -7.652 -1.251 -3.857 1.00 1.13 H new ATOM 0 HG21 VAL A 149 -7.907 -3.189 -6.252 1.00 41.34 H new ATOM 0 HG22 VAL A 149 -8.740 -1.617 -6.245 1.00 41.34 H new ATOM 0 HG23 VAL A 149 -7.630 -2.030 -7.573 1.00 41.34 H new ATOM 2149 N TYR A 150 -5.271 0.485 -8.025 1.00 5.44 N ATOM 2150 CA TYR A 150 -5.138 0.708 -9.426 1.00 41.11 C ATOM 2151 C TYR A 150 -4.942 -0.606 -10.109 1.00 5.43 C ATOM 2152 O TYR A 150 -4.015 -1.362 -9.802 1.00 74.54 O ATOM 2153 CB TYR A 150 -4.042 1.732 -9.731 1.00 14.55 C ATOM 2154 CG TYR A 150 -4.419 3.147 -9.290 1.00 51.40 C ATOM 2155 CD1 TYR A 150 -4.520 3.481 -7.945 1.00 53.42 C ATOM 2156 CD2 TYR A 150 -4.707 4.138 -10.228 1.00 51.31 C ATOM 2157 CE1 TYR A 150 -4.885 4.750 -7.545 1.00 44.22 C ATOM 2158 CE2 TYR A 150 -5.078 5.414 -9.831 1.00 54.12 C ATOM 2159 CZ TYR A 150 -5.163 5.711 -8.487 1.00 52.04 C ATOM 2160 OH TYR A 150 -5.550 6.975 -8.079 1.00 21.23 O ATOM 0 H TYR A 150 -4.396 0.502 -7.501 1.00 5.44 H new ATOM 0 HA TYR A 150 -6.051 1.153 -9.822 1.00 41.11 H new ATOM 0 HB2 TYR A 150 -3.121 1.433 -9.230 1.00 14.55 H new ATOM 0 HB3 TYR A 150 -3.837 1.732 -10.802 1.00 14.55 H new ATOM 0 HD1 TYR A 150 -4.308 2.731 -7.197 1.00 53.42 H new ATOM 0 HD2 TYR A 150 -4.640 3.908 -11.281 1.00 51.31 H new ATOM 0 HE1 TYR A 150 -4.952 4.988 -6.494 1.00 44.22 H new ATOM 0 HE2 TYR A 150 -5.299 6.170 -10.570 1.00 54.12 H new ATOM 0 HH TYR A 150 -5.709 7.538 -8.865 1.00 21.23 H new ATOM 2170 N THR A 151 -5.835 -0.892 -10.994 1.00 43.55 N ATOM 2171 CA THR A 151 -5.889 -2.151 -11.625 1.00 61.24 C ATOM 2172 C THR A 151 -5.461 -2.059 -13.084 1.00 63.03 C ATOM 2173 O THR A 151 -6.087 -1.369 -13.900 1.00 35.23 O ATOM 2174 CB THR A 151 -7.319 -2.689 -11.518 1.00 51.34 C ATOM 2175 OG1 THR A 151 -7.705 -2.661 -10.135 1.00 53.21 O ATOM 2176 CG2 THR A 151 -7.398 -4.105 -12.017 1.00 32.35 C ATOM 0 H THR A 151 -6.558 -0.240 -11.300 1.00 43.55 H new ATOM 0 HA THR A 151 -5.196 -2.830 -11.129 1.00 61.24 H new ATOM 0 HB THR A 151 -7.981 -2.071 -12.125 1.00 51.34 H new ATOM 0 HG1 THR A 151 -8.620 -3.000 -10.044 1.00 53.21 H new ATOM 0 HG21 THR A 151 -8.423 -4.465 -11.931 1.00 32.35 H new ATOM 0 HG22 THR A 151 -7.088 -4.141 -13.061 1.00 32.35 H new ATOM 0 HG23 THR A 151 -6.740 -4.738 -11.421 1.00 32.35 H new ATOM 2182 N LEU A 152 -4.383 -2.723 -13.382 1.00 70.24 N ATOM 2183 CA LEU A 152 -3.862 -2.805 -14.724 1.00 33.11 C ATOM 2184 C LEU A 152 -4.296 -4.127 -15.314 1.00 3.42 C ATOM 2185 O LEU A 152 -5.319 -4.165 -16.025 1.00 37.78 O ATOM 2186 CB LEU A 152 -2.310 -2.714 -14.747 1.00 63.43 C ATOM 2187 CG LEU A 152 -1.644 -1.450 -14.172 1.00 72.03 C ATOM 2188 CD1 LEU A 152 -1.920 -1.319 -12.715 1.00 14.51 C ATOM 2189 CD2 LEU A 152 -0.152 -1.490 -14.418 1.00 73.14 C ATOM 2190 OXT LEU A 152 -3.640 -5.157 -15.019 1.00 37.78 O ATOM 0 H LEU A 152 -3.829 -3.232 -12.693 1.00 70.24 H new ATOM 0 HA LEU A 152 -4.248 -1.967 -15.304 1.00 33.11 H new ATOM 0 HB2 LEU A 152 -1.919 -3.573 -14.202 1.00 63.43 H new ATOM 0 HB3 LEU A 152 -1.986 -2.819 -15.783 1.00 63.43 H new ATOM 0 HG LEU A 152 -2.065 -0.582 -14.678 1.00 72.03 H new ATOM 0 HD11 LEU A 152 -1.439 -0.419 -12.333 1.00 14.51 H new ATOM 0 HD12 LEU A 152 -2.996 -1.252 -12.553 1.00 14.51 H new ATOM 0 HD13 LEU A 152 -1.528 -2.190 -12.191 1.00 14.51 H new ATOM 0 HD21 LEU A 152 0.309 -0.592 -14.007 1.00 73.14 H new ATOM 0 HD22 LEU A 152 0.273 -2.369 -13.934 1.00 73.14 H new ATOM 0 HD23 LEU A 152 0.039 -1.538 -15.490 1.00 73.14 H new