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 93 TYR OH : rot 171:sc= 0.948 USER MOD Set 1.2: A 128 GLN : amide:sc= -0.18 K(o=-0.55,f=-1.2) USER MOD Set 1.3: A 131 ASN :FLIP amide:sc= -1.32 F(o=-2.6!,f=-0.55) USER MOD Set 2.1: A 103 MET CE :methyl -133:sc= -0.853 (180deg=-2.36) USER MOD Set 2.2: A 117 MET CE :methyl 172:sc= -1.36 (180deg=-1.54) USER MOD Set 3.1: A 79 TYR OH : rot -108:sc= 2.39 USER MOD Set 3.2: A 106 HIS : no HE2:sc= 0.43 K(o=5,f=-4.1!) USER MOD Set 3.3: A 107 CYS SG : rot 71:sc= 2.16 USER MOD Set 4.1: A 84 LYS NZ :NH3+ -144:sc= 0.484 (180deg=-0.326) USER MOD Set 4.2: A 92 THR OG1 : rot 180:sc= 0.0495 USER MOD Set 4.3: A 95 ASN : amide:sc= -0.301 K(o=0.23,f=-6.3!) USER MOD Single : A 15 THR OG1 : rot 80:sc= 0.0321 USER MOD Single : A 16 TYR OH : rot 180:sc= 0.644 USER MOD Single : A 18 LYS NZ :NH3+ 170:sc=-0.00364 (180deg=-0.0858) USER MOD Single : A 24 CYS SG : rot 35:sc= -3.88! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 90:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.754 K(o=-0.75,f=-2) USER MOD Single : A 33 CYS SG : rot -43:sc= -2.57! USER MOD Single : A 35 SER OG : rot 130:sc= -0.474 USER MOD Single : A 38 CYS SG : rot 180:sc= -0.0426 USER MOD Single : A 40 MET CE :methyl -157:sc= -0.545 (180deg=-1.06) USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0998) USER MOD Single : A 50 LYS NZ :NH3+ -152:sc= -0.062 (180deg=-1.13) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 61 GLN : amide:sc= -3.18! C(o=-3.2!,f=-9.3!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -83:sc= 0.636 USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= -0.0162 (180deg=-0.181) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 124:sc= 0.323 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.03) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0.722 K(o=0.72,f=-0.74) USER MOD Single : A 98 LYS NZ :NH3+ 167:sc= 1.25 (180deg=1.13) USER MOD Single : A 99 SER OG : rot -80:sc= 0.945 USER MOD Single : A 104 LYS NZ :NH3+ 171:sc= 0.913 (180deg=0.854) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 134:sc= -0.0894 (180deg=-0.499) USER MOD Single : A 110 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -146:sc= 0.713 USER MOD Single : A 122 CYS SG : rot -70:sc= 1.07 USER MOD Single : A 133 SER OG : rot 180:sc= -0.346 USER MOD Single : A 135 MET CE :methyl -174:sc= -1.15 (180deg=-1.17) USER MOD Single : A 143 THR OG1 : rot -35:sc= 0.913 USER MOD Single : A 146 LYS NZ :NH3+ -162:sc= 0.875 (180deg=0.675) USER MOD Single : A 148 THR OG1 : rot 180:sc=-0.00886 USER MOD Single : A 150 TYR OH : rot 39:sc= 0.892 USER MOD Single : A 151 THR OG1 : rot 180:sc= -0.109 USER MOD ----------------------------------------------------------------- ATOM 125 N ARG A 13 -14.673 0.515 -0.165 1.00 12.25 N ATOM 126 CA ARG A 13 -13.626 -0.202 0.534 1.00 14.04 C ATOM 127 C ARG A 13 -12.501 -0.537 -0.424 1.00 51.12 C ATOM 128 O ARG A 13 -11.345 -0.226 -0.167 1.00 44.02 O ATOM 129 CB ARG A 13 -14.202 -1.468 1.174 1.00 15.02 C ATOM 130 CG ARG A 13 -15.329 -1.184 2.159 1.00 4.23 C ATOM 131 CD ARG A 13 -15.935 -2.460 2.718 1.00 1.42 C ATOM 132 NE ARG A 13 -17.034 -2.179 3.649 1.00 15.44 N ATOM 133 CZ ARG A 13 -17.679 -3.104 4.386 1.00 53.21 C ATOM 134 NH1 ARG A 13 -17.392 -4.395 4.254 1.00 35.43 N ATOM 135 NH2 ARG A 13 -18.620 -2.727 5.247 1.00 3.53 N ATOM 0 HA ARG A 13 -13.221 0.427 1.326 1.00 14.04 H new ATOM 0 HB2 ARG A 13 -14.572 -2.128 0.389 1.00 15.02 H new ATOM 0 HB3 ARG A 13 -13.404 -2.002 1.689 1.00 15.02 H new ATOM 0 HG2 ARG A 13 -14.948 -0.575 2.979 1.00 4.23 H new ATOM 0 HG3 ARG A 13 -16.105 -0.602 1.663 1.00 4.23 H new ATOM 0 HD2 ARG A 13 -16.302 -3.078 1.898 1.00 1.42 H new ATOM 0 HD3 ARG A 13 -15.163 -3.035 3.230 1.00 1.42 H new ATOM 0 HE ARG A 13 -17.333 -1.208 3.746 1.00 15.44 H new ATOM 0 HH11 ARG A 13 -16.678 -4.693 3.590 1.00 35.43 H new ATOM 0 HH12 ARG A 13 -17.886 -5.087 4.817 1.00 35.43 H new ATOM 0 HH21 ARG A 13 -18.852 -1.739 5.348 1.00 3.53 H new ATOM 0 HH22 ARG A 13 -19.109 -3.426 5.806 1.00 3.53 H new ATOM 147 N ILE A 14 -12.841 -1.167 -1.533 1.00 74.43 N ATOM 148 CA ILE A 14 -11.862 -1.447 -2.553 1.00 12.01 C ATOM 149 C ILE A 14 -12.289 -0.675 -3.802 1.00 44.14 C ATOM 150 O ILE A 14 -13.328 -0.979 -4.405 1.00 20.14 O ATOM 151 CB ILE A 14 -11.813 -2.965 -2.930 1.00 21.30 C ATOM 152 CG1 ILE A 14 -11.675 -3.878 -1.684 1.00 41.20 C ATOM 153 CG2 ILE A 14 -10.660 -3.229 -3.909 1.00 45.53 C ATOM 154 CD1 ILE A 14 -10.388 -3.730 -0.901 1.00 3.21 C ATOM 0 H ILE A 14 -13.785 -1.491 -1.745 1.00 74.43 H new ATOM 0 HA ILE A 14 -10.878 -1.160 -2.182 1.00 12.01 H new ATOM 0 HB ILE A 14 -12.762 -3.211 -3.407 1.00 21.30 H new ATOM 0 HG12 ILE A 14 -12.511 -3.677 -1.014 1.00 41.20 H new ATOM 0 HG13 ILE A 14 -11.766 -4.916 -2.005 1.00 41.20 H new ATOM 0 HG21 ILE A 14 -10.635 -4.288 -4.165 1.00 45.53 H new ATOM 0 HG22 ILE A 14 -10.809 -2.641 -4.814 1.00 45.53 H new ATOM 0 HG23 ILE A 14 -9.716 -2.946 -3.444 1.00 45.53 H new ATOM 0 HD11 ILE A 14 -10.398 -4.414 -0.052 1.00 3.21 H new ATOM 0 HD12 ILE A 14 -9.541 -3.964 -1.546 1.00 3.21 H new ATOM 0 HD13 ILE A 14 -10.297 -2.705 -0.540 1.00 3.21 H new ATOM 161 N THR A 15 -11.539 0.302 -4.172 1.00 14.12 N ATOM 162 CA THR A 15 -11.839 1.082 -5.339 1.00 11.44 C ATOM 163 C THR A 15 -10.998 0.582 -6.504 1.00 42.15 C ATOM 164 O THR A 15 -9.791 0.396 -6.364 1.00 64.21 O ATOM 165 CB THR A 15 -11.549 2.582 -5.073 1.00 13.01 C ATOM 166 OG1 THR A 15 -12.262 3.006 -3.900 1.00 24.01 O ATOM 167 CG2 THR A 15 -11.965 3.444 -6.261 1.00 22.20 C ATOM 0 H THR A 15 -10.695 0.591 -3.678 1.00 14.12 H new ATOM 0 HA THR A 15 -12.896 0.976 -5.583 1.00 11.44 H new ATOM 0 HB THR A 15 -10.476 2.702 -4.923 1.00 13.01 H new ATOM 0 HG1 THR A 15 -11.771 2.726 -3.100 1.00 24.01 H new ATOM 0 HG21 THR A 15 -11.749 4.490 -6.045 1.00 22.20 H new ATOM 0 HG22 THR A 15 -11.410 3.135 -7.147 1.00 22.20 H new ATOM 0 HG23 THR A 15 -13.033 3.324 -6.442 1.00 22.20 H new ATOM 173 N TYR A 16 -11.624 0.338 -7.625 1.00 21.31 N ATOM 174 CA TYR A 16 -10.918 -0.127 -8.785 1.00 4.30 C ATOM 175 C TYR A 16 -10.792 0.977 -9.809 1.00 23.52 C ATOM 176 O TYR A 16 -11.787 1.453 -10.360 1.00 71.23 O ATOM 177 CB TYR A 16 -11.583 -1.371 -9.401 1.00 24.34 C ATOM 178 CG TYR A 16 -11.498 -2.628 -8.551 1.00 62.21 C ATOM 179 CD1 TYR A 16 -10.377 -3.438 -8.619 1.00 22.20 C ATOM 180 CD2 TYR A 16 -12.527 -3.007 -7.693 1.00 1.20 C ATOM 181 CE1 TYR A 16 -10.270 -4.584 -7.864 1.00 41.11 C ATOM 182 CE2 TYR A 16 -12.427 -4.165 -6.928 1.00 40.41 C ATOM 183 CZ TYR A 16 -11.289 -4.948 -7.024 1.00 60.34 C ATOM 184 OH TYR A 16 -11.165 -6.098 -6.272 1.00 10.14 O ATOM 0 H TYR A 16 -12.629 0.455 -7.758 1.00 21.31 H new ATOM 0 HA TYR A 16 -9.918 -0.420 -8.464 1.00 4.30 H new ATOM 0 HB2 TYR A 16 -12.633 -1.148 -9.590 1.00 24.34 H new ATOM 0 HB3 TYR A 16 -11.121 -1.571 -10.368 1.00 24.34 H new ATOM 0 HD1 TYR A 16 -9.568 -3.164 -9.280 1.00 22.20 H new ATOM 0 HD2 TYR A 16 -13.414 -2.395 -7.620 1.00 1.20 H new ATOM 0 HE1 TYR A 16 -9.383 -5.196 -7.934 1.00 41.11 H new ATOM 0 HE2 TYR A 16 -13.230 -4.451 -6.265 1.00 40.41 H new ATOM 0 HH TYR A 16 -11.969 -6.220 -5.726 1.00 10.14 H new ATOM 194 N VAL A 17 -9.583 1.394 -10.052 1.00 13.43 N ATOM 195 CA VAL A 17 -9.322 2.413 -11.024 1.00 0.23 C ATOM 196 C VAL A 17 -8.364 1.865 -12.062 1.00 10.03 C ATOM 197 O VAL A 17 -7.450 1.096 -11.739 1.00 10.13 O ATOM 198 CB VAL A 17 -8.763 3.721 -10.373 1.00 64.22 C ATOM 199 CG1 VAL A 17 -7.446 3.487 -9.686 1.00 64.42 C ATOM 200 CG2 VAL A 17 -8.654 4.851 -11.378 1.00 13.40 C ATOM 0 H VAL A 17 -8.751 1.037 -9.582 1.00 13.43 H new ATOM 0 HA VAL A 17 -10.262 2.689 -11.501 1.00 0.23 H new ATOM 0 HB VAL A 17 -9.484 4.022 -9.613 1.00 64.22 H new ATOM 0 HG11 VAL A 17 -7.093 4.421 -9.248 1.00 64.42 H new ATOM 0 HG12 VAL A 17 -7.573 2.742 -8.900 1.00 64.42 H new ATOM 0 HG13 VAL A 17 -6.716 3.128 -10.411 1.00 64.42 H new ATOM 0 HG21 VAL A 17 -8.262 5.740 -10.885 1.00 13.40 H new ATOM 0 HG22 VAL A 17 -7.982 4.557 -12.184 1.00 13.40 H new ATOM 0 HG23 VAL A 17 -9.640 5.069 -11.789 1.00 13.40 H new ATOM 206 N LYS A 18 -8.588 2.215 -13.282 1.00 14.33 N ATOM 207 CA LYS A 18 -7.768 1.734 -14.351 1.00 4.41 C ATOM 208 C LYS A 18 -6.717 2.775 -14.695 1.00 54.02 C ATOM 209 O LYS A 18 -7.047 3.907 -15.064 1.00 22.41 O ATOM 210 CB LYS A 18 -8.634 1.391 -15.561 1.00 0.41 C ATOM 211 CG LYS A 18 -7.890 0.718 -16.710 1.00 1.25 C ATOM 212 CD LYS A 18 -8.847 0.323 -17.832 1.00 14.14 C ATOM 213 CE LYS A 18 -9.500 1.533 -18.492 1.00 34.43 C ATOM 214 NZ LYS A 18 -8.518 2.375 -19.206 1.00 24.34 N ATOM 0 H LYS A 18 -9.341 2.840 -13.571 1.00 14.33 H new ATOM 0 HA LYS A 18 -7.256 0.823 -14.041 1.00 4.41 H new ATOM 0 HB2 LYS A 18 -9.443 0.736 -15.237 1.00 0.41 H new ATOM 0 HB3 LYS A 18 -9.095 2.307 -15.932 1.00 0.41 H new ATOM 0 HG2 LYS A 18 -7.129 1.394 -17.099 1.00 1.25 H new ATOM 0 HG3 LYS A 18 -7.372 -0.168 -16.342 1.00 1.25 H new ATOM 0 HD2 LYS A 18 -8.304 -0.249 -18.584 1.00 14.14 H new ATOM 0 HD3 LYS A 18 -9.622 -0.331 -17.432 1.00 14.14 H new ATOM 0 HE2 LYS A 18 -10.264 1.195 -19.192 1.00 34.43 H new ATOM 0 HE3 LYS A 18 -10.005 2.131 -17.733 1.00 34.43 H new ATOM 0 HZ1 LYS A 18 -9.020 3.085 -19.777 1.00 24.34 H new ATOM 0 HZ2 LYS A 18 -7.906 2.855 -18.516 1.00 24.34 H new ATOM 0 HZ3 LYS A 18 -7.937 1.778 -19.829 1.00 24.34 H new ATOM 228 N GLY A 19 -5.474 2.398 -14.558 1.00 11.12 N ATOM 229 CA GLY A 19 -4.379 3.290 -14.827 1.00 63.31 C ATOM 230 C GLY A 19 -3.156 2.939 -14.006 1.00 61.00 C ATOM 231 O GLY A 19 -3.166 1.955 -13.253 1.00 21.24 O ATOM 0 H GLY A 19 -5.192 1.465 -14.257 1.00 11.12 H new ATOM 0 HA2 GLY A 19 -4.129 3.250 -15.887 1.00 63.31 H new ATOM 0 HA3 GLY A 19 -4.682 4.314 -14.609 1.00 63.31 H new ATOM 235 N ASP A 20 -2.112 3.734 -14.154 1.00 44.13 N ATOM 236 CA ASP A 20 -0.861 3.546 -13.446 1.00 53.44 C ATOM 237 C ASP A 20 -0.971 4.050 -12.028 1.00 63.42 C ATOM 238 O ASP A 20 -1.558 5.105 -11.788 1.00 44.13 O ATOM 239 CB ASP A 20 0.266 4.308 -14.150 1.00 2.42 C ATOM 240 CG ASP A 20 0.663 3.740 -15.498 1.00 61.15 C ATOM 241 OD1 ASP A 20 1.532 2.840 -15.547 1.00 32.31 O ATOM 242 OD2 ASP A 20 0.137 4.209 -16.538 1.00 25.43 O ATOM 0 H ASP A 20 -2.110 4.540 -14.779 1.00 44.13 H new ATOM 0 HA ASP A 20 -0.639 2.479 -13.437 1.00 53.44 H new ATOM 0 HB2 ASP A 20 -0.042 5.345 -14.283 1.00 2.42 H new ATOM 0 HB3 ASP A 20 1.142 4.317 -13.501 1.00 2.42 H new ATOM 247 N LEU A 21 -0.366 3.325 -11.093 1.00 0.53 N ATOM 248 CA LEU A 21 -0.422 3.687 -9.675 1.00 3.04 C ATOM 249 C LEU A 21 0.260 5.018 -9.422 1.00 20.34 C ATOM 250 O LEU A 21 -0.140 5.767 -8.557 1.00 62.31 O ATOM 251 CB LEU A 21 0.224 2.594 -8.811 1.00 24.14 C ATOM 252 CG LEU A 21 0.244 2.837 -7.298 1.00 3.32 C ATOM 253 CD1 LEU A 21 -1.150 2.931 -6.731 1.00 71.23 C ATOM 254 CD2 LEU A 21 1.011 1.761 -6.595 1.00 14.20 C ATOM 0 H LEU A 21 0.171 2.480 -11.289 1.00 0.53 H new ATOM 0 HA LEU A 21 -1.472 3.781 -9.399 1.00 3.04 H new ATOM 0 HB2 LEU A 21 -0.301 1.657 -8.999 1.00 24.14 H new ATOM 0 HB3 LEU A 21 1.252 2.457 -9.148 1.00 24.14 H new ATOM 0 HG LEU A 21 0.742 3.792 -7.132 1.00 3.32 H new ATOM 0 HD11 LEU A 21 -1.095 3.104 -5.656 1.00 71.23 H new ATOM 0 HD12 LEU A 21 -1.680 3.757 -7.204 1.00 71.23 H new ATOM 0 HD13 LEU A 21 -1.684 2.000 -6.922 1.00 71.23 H new ATOM 0 HD21 LEU A 21 1.011 1.956 -5.523 1.00 14.20 H new ATOM 0 HD22 LEU A 21 0.544 0.795 -6.789 1.00 14.20 H new ATOM 0 HD23 LEU A 21 2.038 1.747 -6.961 1.00 14.20 H new ATOM 262 N PHE A 22 1.247 5.325 -10.228 1.00 70.31 N ATOM 263 CA PHE A 22 2.034 6.540 -10.071 1.00 62.20 C ATOM 264 C PHE A 22 1.281 7.809 -10.485 1.00 32.30 C ATOM 265 O PHE A 22 1.824 8.909 -10.428 1.00 12.15 O ATOM 266 CB PHE A 22 3.394 6.410 -10.749 1.00 74.13 C ATOM 267 CG PHE A 22 4.210 5.312 -10.130 1.00 4.31 C ATOM 268 CD1 PHE A 22 4.749 5.477 -8.866 1.00 61.11 C ATOM 269 CD2 PHE A 22 4.399 4.102 -10.779 1.00 50.51 C ATOM 270 CE1 PHE A 22 5.467 4.470 -8.269 1.00 45.33 C ATOM 271 CE2 PHE A 22 5.109 3.095 -10.183 1.00 2.44 C ATOM 272 CZ PHE A 22 5.649 3.275 -8.927 1.00 52.41 C ATOM 0 H PHE A 22 1.534 4.743 -11.015 1.00 70.31 H new ATOM 0 HA PHE A 22 2.216 6.659 -9.003 1.00 62.20 H new ATOM 0 HB2 PHE A 22 3.255 6.208 -11.811 1.00 74.13 H new ATOM 0 HB3 PHE A 22 3.933 7.354 -10.672 1.00 74.13 H new ATOM 0 HD1 PHE A 22 4.603 6.410 -8.342 1.00 61.11 H new ATOM 0 HD2 PHE A 22 3.982 3.952 -11.764 1.00 50.51 H new ATOM 0 HE1 PHE A 22 5.888 4.616 -7.285 1.00 45.33 H new ATOM 0 HE2 PHE A 22 5.247 2.156 -10.698 1.00 2.44 H new ATOM 0 HZ PHE A 22 6.213 2.481 -8.461 1.00 52.41 H new ATOM 282 N ALA A 23 0.043 7.649 -10.904 1.00 71.14 N ATOM 283 CA ALA A 23 -0.811 8.776 -11.257 1.00 54.42 C ATOM 284 C ALA A 23 -1.521 9.321 -10.003 1.00 73.02 C ATOM 285 O ALA A 23 -2.311 10.260 -10.065 1.00 21.13 O ATOM 286 CB ALA A 23 -1.817 8.340 -12.298 1.00 62.21 C ATOM 0 H ALA A 23 -0.404 6.738 -11.011 1.00 71.14 H new ATOM 0 HA ALA A 23 -0.200 9.577 -11.673 1.00 54.42 H new ATOM 0 HB1 ALA A 23 -2.456 9.183 -12.562 1.00 62.21 H new ATOM 0 HB2 ALA A 23 -1.292 7.990 -13.187 1.00 62.21 H new ATOM 0 HB3 ALA A 23 -2.429 7.533 -11.897 1.00 62.21 H new ATOM 292 N CYS A 24 -1.209 8.708 -8.888 1.00 64.15 N ATOM 293 CA CYS A 24 -1.754 9.021 -7.580 1.00 72.30 C ATOM 294 C CYS A 24 -1.466 10.474 -7.126 1.00 14.13 C ATOM 295 O CYS A 24 -0.305 10.941 -7.170 1.00 23.32 O ATOM 296 CB CYS A 24 -1.111 8.068 -6.595 1.00 52.34 C ATOM 297 SG CYS A 24 0.695 8.126 -6.664 1.00 22.23 S ATOM 0 H CYS A 24 -0.537 7.941 -8.861 1.00 64.15 H new ATOM 0 HA CYS A 24 -2.838 8.919 -7.627 1.00 72.30 H new ATOM 0 HB2 CYS A 24 -1.442 8.314 -5.586 1.00 52.34 H new ATOM 0 HB3 CYS A 24 -1.448 7.052 -6.802 1.00 52.34 H new ATOM 0 HG CYS A 24 1.081 9.343 -6.911 1.00 22.23 H new ATOM 303 N PRO A 25 -2.519 11.205 -6.679 1.00 32.21 N ATOM 304 CA PRO A 25 -2.371 12.544 -6.079 1.00 73.20 C ATOM 305 C PRO A 25 -1.468 12.479 -4.833 1.00 1.45 C ATOM 306 O PRO A 25 -1.299 11.417 -4.260 1.00 41.13 O ATOM 307 CB PRO A 25 -3.798 12.904 -5.651 1.00 73.00 C ATOM 308 CG PRO A 25 -4.681 12.067 -6.506 1.00 74.10 C ATOM 309 CD PRO A 25 -3.934 10.789 -6.750 1.00 22.15 C ATOM 0 HA PRO A 25 -1.923 13.264 -6.764 1.00 73.20 H new ATOM 0 HB2 PRO A 25 -3.958 12.693 -4.594 1.00 73.00 H new ATOM 0 HB3 PRO A 25 -3.998 13.965 -5.798 1.00 73.00 H new ATOM 0 HG2 PRO A 25 -5.633 11.874 -6.011 1.00 74.10 H new ATOM 0 HG3 PRO A 25 -4.907 12.572 -7.445 1.00 74.10 H new ATOM 0 HD2 PRO A 25 -4.170 10.035 -5.999 1.00 22.15 H new ATOM 0 HD3 PRO A 25 -4.179 10.359 -7.721 1.00 22.15 H new ATOM 317 N LYS A 26 -0.916 13.606 -4.398 1.00 13.31 N ATOM 318 CA LYS A 26 0.032 13.608 -3.258 1.00 10.24 C ATOM 319 C LYS A 26 -0.646 13.234 -1.937 1.00 35.43 C ATOM 320 O LYS A 26 0.004 12.851 -0.971 1.00 12.41 O ATOM 321 CB LYS A 26 0.747 14.948 -3.131 1.00 1.12 C ATOM 322 CG LYS A 26 -0.149 16.130 -2.767 1.00 41.01 C ATOM 323 CD LYS A 26 0.649 17.429 -2.628 1.00 70.42 C ATOM 324 CE LYS A 26 1.739 17.310 -1.566 1.00 2.04 C ATOM 325 NZ LYS A 26 2.447 18.584 -1.354 1.00 50.15 N ATOM 0 H LYS A 26 -1.096 14.525 -4.802 1.00 13.31 H new ATOM 0 HA LYS A 26 0.775 12.840 -3.473 1.00 10.24 H new ATOM 0 HB2 LYS A 26 1.526 14.856 -2.374 1.00 1.12 H new ATOM 0 HB3 LYS A 26 1.245 15.167 -4.076 1.00 1.12 H new ATOM 0 HG2 LYS A 26 -0.915 16.254 -3.533 1.00 41.01 H new ATOM 0 HG3 LYS A 26 -0.666 15.919 -1.831 1.00 41.01 H new ATOM 0 HD2 LYS A 26 1.101 17.683 -3.587 1.00 70.42 H new ATOM 0 HD3 LYS A 26 -0.026 18.245 -2.368 1.00 70.42 H new ATOM 0 HE2 LYS A 26 1.295 16.982 -0.626 1.00 2.04 H new ATOM 0 HE3 LYS A 26 2.454 16.544 -1.865 1.00 2.04 H new ATOM 0 HZ1 LYS A 26 3.178 18.458 -0.625 1.00 50.15 H new ATOM 0 HZ2 LYS A 26 2.893 18.885 -2.244 1.00 50.15 H new ATOM 0 HZ3 LYS A 26 1.770 19.310 -1.043 1.00 50.15 H new ATOM 339 N THR A 27 -1.932 13.370 -1.909 1.00 12.14 N ATOM 340 CA THR A 27 -2.727 13.011 -0.750 1.00 71.11 C ATOM 341 C THR A 27 -2.954 11.484 -0.723 1.00 43.54 C ATOM 342 O THR A 27 -3.121 10.872 0.338 1.00 65.24 O ATOM 343 CB THR A 27 -4.079 13.724 -0.844 1.00 34.11 C ATOM 344 OG1 THR A 27 -3.853 15.133 -1.054 1.00 2.10 O ATOM 345 CG2 THR A 27 -4.904 13.526 0.416 1.00 54.42 C ATOM 0 H THR A 27 -2.477 13.735 -2.690 1.00 12.14 H new ATOM 0 HA THR A 27 -2.207 13.309 0.160 1.00 71.11 H new ATOM 0 HB THR A 27 -4.635 13.297 -1.679 1.00 34.11 H new ATOM 0 HG1 THR A 27 -4.714 15.597 -1.117 1.00 2.10 H new ATOM 0 HG21 THR A 27 -5.856 14.046 0.313 1.00 54.42 H new ATOM 0 HG22 THR A 27 -5.086 12.462 0.568 1.00 54.42 H new ATOM 0 HG23 THR A 27 -4.362 13.928 1.272 1.00 54.42 H new ATOM 351 N ASP A 28 -2.895 10.905 -1.892 1.00 3.15 N ATOM 352 CA ASP A 28 -3.175 9.505 -2.112 1.00 0.32 C ATOM 353 C ASP A 28 -1.891 8.711 -1.812 1.00 34.40 C ATOM 354 O ASP A 28 -0.916 8.758 -2.573 1.00 34.15 O ATOM 355 CB ASP A 28 -3.635 9.374 -3.575 1.00 63.30 C ATOM 356 CG ASP A 28 -4.202 8.046 -3.986 1.00 64.54 C ATOM 357 OD1 ASP A 28 -5.291 7.666 -3.475 1.00 64.23 O ATOM 358 OD2 ASP A 28 -3.643 7.419 -4.894 1.00 20.31 O ATOM 0 H ASP A 28 -2.644 11.406 -2.744 1.00 3.15 H new ATOM 0 HA ASP A 28 -3.958 9.110 -1.464 1.00 0.32 H new ATOM 0 HB2 ASP A 28 -4.388 10.139 -3.765 1.00 63.30 H new ATOM 0 HB3 ASP A 28 -2.785 9.596 -4.220 1.00 63.30 H new ATOM 363 N SER A 29 -1.880 8.051 -0.668 1.00 11.42 N ATOM 364 CA SER A 29 -0.686 7.389 -0.148 1.00 32.43 C ATOM 365 C SER A 29 -0.460 5.996 -0.743 1.00 64.31 C ATOM 366 O SER A 29 -1.324 5.146 -0.684 1.00 15.22 O ATOM 367 CB SER A 29 -0.771 7.336 1.367 1.00 33.54 C ATOM 368 OG SER A 29 -0.883 8.658 1.892 1.00 25.32 O ATOM 0 H SER A 29 -2.699 7.956 -0.068 1.00 11.42 H new ATOM 0 HA SER A 29 0.181 7.976 -0.451 1.00 32.43 H new ATOM 0 HB2 SER A 29 -1.631 6.740 1.671 1.00 33.54 H new ATOM 0 HB3 SER A 29 0.115 6.848 1.773 1.00 33.54 H new ATOM 0 HG SER A 29 -1.829 8.905 1.957 1.00 25.32 H new ATOM 374 N LEU A 30 0.741 5.788 -1.252 1.00 13.35 N ATOM 375 CA LEU A 30 1.138 4.569 -1.959 1.00 32.01 C ATOM 376 C LEU A 30 1.560 3.467 -0.998 1.00 23.41 C ATOM 377 O LEU A 30 2.344 3.699 -0.085 1.00 52.30 O ATOM 378 CB LEU A 30 2.305 4.912 -2.890 1.00 61.32 C ATOM 379 CG LEU A 30 1.974 5.915 -3.987 1.00 4.24 C ATOM 380 CD1 LEU A 30 3.239 6.514 -4.592 1.00 43.41 C ATOM 381 CD2 LEU A 30 1.221 5.192 -5.058 1.00 22.31 C ATOM 0 H LEU A 30 1.491 6.476 -1.187 1.00 13.35 H new ATOM 0 HA LEU A 30 0.282 4.199 -2.523 1.00 32.01 H new ATOM 0 HB2 LEU A 30 3.125 5.308 -2.291 1.00 61.32 H new ATOM 0 HB3 LEU A 30 2.664 3.993 -3.354 1.00 61.32 H new ATOM 0 HG LEU A 30 1.385 6.727 -3.561 1.00 4.24 H new ATOM 0 HD11 LEU A 30 2.968 7.226 -5.372 1.00 43.41 H new ATOM 0 HD12 LEU A 30 3.807 7.026 -3.815 1.00 43.41 H new ATOM 0 HD13 LEU A 30 3.848 5.719 -5.022 1.00 43.41 H new ATOM 0 HD21 LEU A 30 0.970 5.887 -5.859 1.00 22.31 H new ATOM 0 HD22 LEU A 30 1.838 4.387 -5.457 1.00 22.31 H new ATOM 0 HD23 LEU A 30 0.305 4.774 -4.640 1.00 22.31 H new ATOM 389 N ALA A 31 1.047 2.281 -1.206 1.00 51.25 N ATOM 390 CA ALA A 31 1.392 1.143 -0.386 1.00 72.22 C ATOM 391 C ALA A 31 1.710 -0.071 -1.234 1.00 2.01 C ATOM 392 O ALA A 31 1.285 -0.167 -2.387 1.00 73.03 O ATOM 393 CB ALA A 31 0.262 0.819 0.564 1.00 14.12 C ATOM 0 H ALA A 31 0.378 2.075 -1.948 1.00 51.25 H new ATOM 0 HA ALA A 31 2.282 1.404 0.186 1.00 72.22 H new ATOM 0 HB1 ALA A 31 0.536 -0.041 1.176 1.00 14.12 H new ATOM 0 HB2 ALA A 31 0.071 1.677 1.209 1.00 14.12 H new ATOM 0 HB3 ALA A 31 -0.637 0.587 -0.006 1.00 14.12 H new ATOM 399 N HIS A 32 2.486 -0.981 -0.666 1.00 2.11 N ATOM 400 CA HIS A 32 2.825 -2.259 -1.285 1.00 71.55 C ATOM 401 C HIS A 32 3.489 -3.168 -0.273 1.00 35.52 C ATOM 402 O HIS A 32 3.912 -2.712 0.788 1.00 10.31 O ATOM 403 CB HIS A 32 3.671 -2.122 -2.581 1.00 44.25 C ATOM 404 CG HIS A 32 4.983 -1.416 -2.434 1.00 61.11 C ATOM 405 ND1 HIS A 32 6.201 -2.029 -2.666 1.00 44.11 N ATOM 406 CD2 HIS A 32 5.262 -0.121 -2.157 1.00 22.35 C ATOM 407 CE1 HIS A 32 7.161 -1.143 -2.546 1.00 5.13 C ATOM 408 NE2 HIS A 32 6.617 0.022 -2.236 1.00 22.22 N ATOM 0 H HIS A 32 2.907 -0.853 0.254 1.00 2.11 H new ATOM 0 HA HIS A 32 1.888 -2.712 -1.608 1.00 71.55 H new ATOM 0 HB2 HIS A 32 3.860 -3.120 -2.976 1.00 44.25 H new ATOM 0 HB3 HIS A 32 3.077 -1.592 -3.325 1.00 44.25 H new ATOM 0 HD2 HIS A 32 4.547 0.653 -1.919 1.00 22.35 H new ATOM 0 HE1 HIS A 32 8.216 -1.333 -2.678 1.00 5.13 H new ATOM 0 HE2 HIS A 32 7.129 0.890 -2.081 1.00 22.22 H new ATOM 417 N CYS A 33 3.595 -4.418 -0.600 1.00 71.10 N ATOM 418 CA CYS A 33 4.082 -5.413 0.317 1.00 10.14 C ATOM 419 C CYS A 33 5.494 -5.880 -0.077 1.00 50.52 C ATOM 420 O CYS A 33 5.796 -5.986 -1.252 1.00 0.22 O ATOM 421 CB CYS A 33 3.087 -6.572 0.293 1.00 72.44 C ATOM 422 SG CYS A 33 3.407 -7.886 1.448 1.00 0.23 S ATOM 0 H CYS A 33 3.345 -4.785 -1.518 1.00 71.10 H new ATOM 0 HA CYS A 33 4.162 -5.003 1.324 1.00 10.14 H new ATOM 0 HB2 CYS A 33 2.091 -6.176 0.489 1.00 72.44 H new ATOM 0 HB3 CYS A 33 3.071 -6.993 -0.712 1.00 72.44 H new ATOM 0 HG CYS A 33 4.677 -8.162 1.451 1.00 0.23 H new ATOM 428 N ILE A 34 6.354 -6.107 0.913 1.00 34.01 N ATOM 429 CA ILE A 34 7.728 -6.609 0.704 1.00 43.10 C ATOM 430 C ILE A 34 8.190 -7.428 1.913 1.00 20.31 C ATOM 431 O ILE A 34 7.472 -7.559 2.903 1.00 70.43 O ATOM 432 CB ILE A 34 8.801 -5.505 0.400 1.00 25.21 C ATOM 433 CG1 ILE A 34 8.822 -4.421 1.477 1.00 71.33 C ATOM 434 CG2 ILE A 34 8.658 -4.906 -1.006 1.00 24.23 C ATOM 435 CD1 ILE A 34 9.901 -3.390 1.260 1.00 1.11 C ATOM 0 H ILE A 34 6.124 -5.949 1.894 1.00 34.01 H new ATOM 0 HA ILE A 34 7.660 -7.227 -0.191 1.00 43.10 H new ATOM 0 HB ILE A 34 9.768 -6.007 0.422 1.00 25.21 H new ATOM 0 HG12 ILE A 34 7.853 -3.923 1.502 1.00 71.33 H new ATOM 0 HG13 ILE A 34 8.965 -4.888 2.451 1.00 71.33 H new ATOM 0 HG21 ILE A 34 9.427 -4.149 -1.159 1.00 24.23 H new ATOM 0 HG22 ILE A 34 8.772 -5.694 -1.750 1.00 24.23 H new ATOM 0 HG23 ILE A 34 7.674 -4.450 -1.109 1.00 24.23 H new ATOM 0 HD11 ILE A 34 9.862 -2.649 2.058 1.00 1.11 H new ATOM 0 HD12 ILE A 34 10.876 -3.877 1.264 1.00 1.11 H new ATOM 0 HD13 ILE A 34 9.746 -2.897 0.300 1.00 1.11 H new ATOM 442 N SER A 35 9.345 -8.017 1.812 1.00 53.43 N ATOM 443 CA SER A 35 9.908 -8.775 2.895 1.00 61.13 C ATOM 444 C SER A 35 10.794 -7.845 3.778 1.00 32.23 C ATOM 445 O SER A 35 11.055 -6.697 3.394 1.00 53.32 O ATOM 446 CB SER A 35 10.742 -9.906 2.300 1.00 53.13 C ATOM 447 OG SER A 35 11.748 -9.391 1.442 1.00 72.02 O ATOM 0 H SER A 35 9.926 -7.986 0.975 1.00 53.43 H new ATOM 0 HA SER A 35 9.121 -9.192 3.523 1.00 61.13 H new ATOM 0 HB2 SER A 35 11.202 -10.485 3.101 1.00 53.13 H new ATOM 0 HB3 SER A 35 10.097 -10.587 1.744 1.00 53.13 H new ATOM 0 HG SER A 35 12.614 -9.782 1.681 1.00 72.02 H new ATOM 453 N GLU A 36 11.271 -8.352 4.932 1.00 13.54 N ATOM 454 CA GLU A 36 12.111 -7.566 5.863 1.00 42.31 C ATOM 455 C GLU A 36 13.402 -7.130 5.180 1.00 53.11 C ATOM 456 O GLU A 36 13.897 -6.027 5.417 1.00 2.11 O ATOM 457 CB GLU A 36 12.475 -8.364 7.144 1.00 3.31 C ATOM 458 CG GLU A 36 11.290 -8.980 7.886 1.00 71.11 C ATOM 459 CD GLU A 36 11.688 -9.721 9.159 1.00 70.25 C ATOM 460 OE1 GLU A 36 12.410 -10.708 9.076 1.00 71.03 O ATOM 461 OE2 GLU A 36 11.229 -9.338 10.258 1.00 12.30 O ATOM 0 H GLU A 36 11.089 -9.306 5.244 1.00 13.54 H new ATOM 0 HA GLU A 36 11.522 -6.696 6.152 1.00 42.31 H new ATOM 0 HB2 GLU A 36 13.167 -9.161 6.872 1.00 3.31 H new ATOM 0 HB3 GLU A 36 13.006 -7.701 7.827 1.00 3.31 H new ATOM 0 HG2 GLU A 36 10.581 -8.192 8.140 1.00 71.11 H new ATOM 0 HG3 GLU A 36 10.773 -9.671 7.219 1.00 71.11 H new ATOM 468 N ASP A 37 13.934 -7.995 4.319 1.00 30.12 N ATOM 469 CA ASP A 37 15.189 -7.700 3.614 1.00 21.12 C ATOM 470 C ASP A 37 14.983 -6.852 2.383 1.00 71.15 C ATOM 471 O ASP A 37 15.962 -6.454 1.736 1.00 53.00 O ATOM 472 CB ASP A 37 15.988 -8.966 3.248 1.00 53.32 C ATOM 473 CG ASP A 37 16.614 -9.661 4.440 1.00 45.31 C ATOM 474 OD1 ASP A 37 16.745 -9.033 5.498 1.00 52.44 O ATOM 475 OD2 ASP A 37 17.050 -10.839 4.307 1.00 20.53 O ATOM 0 H ASP A 37 13.523 -8.900 4.091 1.00 30.12 H new ATOM 0 HA ASP A 37 15.778 -7.126 4.329 1.00 21.12 H new ATOM 0 HB2 ASP A 37 15.327 -9.666 2.737 1.00 53.32 H new ATOM 0 HB3 ASP A 37 16.774 -8.697 2.542 1.00 53.32 H new ATOM 480 N CYS A 38 13.716 -6.572 2.065 1.00 52.43 N ATOM 481 CA CYS A 38 13.327 -5.756 0.911 1.00 75.33 C ATOM 482 C CYS A 38 13.695 -6.429 -0.424 1.00 45.20 C ATOM 483 O CYS A 38 14.859 -6.494 -0.814 1.00 73.05 O ATOM 484 CB CYS A 38 13.934 -4.349 1.004 1.00 52.02 C ATOM 485 SG CYS A 38 13.468 -3.433 2.493 1.00 75.10 S ATOM 0 H CYS A 38 12.922 -6.910 2.608 1.00 52.43 H new ATOM 0 HA CYS A 38 12.241 -5.663 0.934 1.00 75.33 H new ATOM 0 HB2 CYS A 38 15.020 -4.432 0.968 1.00 52.02 H new ATOM 0 HB3 CYS A 38 13.629 -3.776 0.129 1.00 52.02 H new ATOM 0 HG CYS A 38 14.033 -2.262 2.477 1.00 75.10 H new ATOM 491 N ARG A 39 12.710 -6.961 -1.103 1.00 44.03 N ATOM 492 CA ARG A 39 12.934 -7.602 -2.376 1.00 10.12 C ATOM 493 C ARG A 39 12.223 -6.847 -3.484 1.00 25.24 C ATOM 494 O ARG A 39 11.039 -7.052 -3.728 1.00 41.43 O ATOM 495 CB ARG A 39 12.481 -9.062 -2.343 1.00 72.24 C ATOM 496 CG ARG A 39 13.241 -9.977 -1.367 1.00 54.54 C ATOM 497 CD ARG A 39 14.706 -10.233 -1.770 1.00 31.03 C ATOM 498 NE ARG A 39 15.575 -9.048 -1.737 1.00 72.12 N ATOM 499 CZ ARG A 39 16.864 -9.043 -2.122 1.00 24.15 C ATOM 500 NH1 ARG A 39 17.433 -10.153 -2.597 1.00 24.33 N ATOM 501 NH2 ARG A 39 17.574 -7.932 -2.033 1.00 21.41 N ATOM 0 H ARG A 39 11.738 -6.963 -0.793 1.00 44.03 H new ATOM 0 HA ARG A 39 14.005 -7.587 -2.578 1.00 10.12 H new ATOM 0 HB2 ARG A 39 11.422 -9.088 -2.086 1.00 72.24 H new ATOM 0 HB3 ARG A 39 12.576 -9.475 -3.347 1.00 72.24 H new ATOM 0 HG2 ARG A 39 13.220 -9.530 -0.373 1.00 54.54 H new ATOM 0 HG3 ARG A 39 12.720 -10.932 -1.298 1.00 54.54 H new ATOM 0 HD2 ARG A 39 15.123 -10.990 -1.105 1.00 31.03 H new ATOM 0 HD3 ARG A 39 14.723 -10.649 -2.777 1.00 31.03 H new ATOM 0 HE ARG A 39 15.175 -8.172 -1.400 1.00 72.12 H new ATOM 0 HH11 ARG A 39 16.890 -11.013 -2.670 1.00 24.33 H new ATOM 0 HH12 ARG A 39 18.411 -10.141 -2.887 1.00 24.33 H new ATOM 0 HH21 ARG A 39 17.145 -7.080 -1.673 1.00 21.41 H new ATOM 0 HH22 ARG A 39 18.551 -7.927 -2.325 1.00 21.41 H new ATOM 513 N MET A 40 12.934 -5.931 -4.096 1.00 41.11 N ATOM 514 CA MET A 40 12.403 -5.137 -5.194 1.00 4.34 C ATOM 515 C MET A 40 12.770 -5.725 -6.548 1.00 43.02 C ATOM 516 O MET A 40 12.597 -5.084 -7.560 1.00 22.42 O ATOM 517 CB MET A 40 12.876 -3.677 -5.145 1.00 63.22 C ATOM 518 CG MET A 40 12.375 -2.838 -3.975 1.00 52.15 C ATOM 519 SD MET A 40 13.089 -3.257 -2.383 1.00 71.11 S ATOM 520 CE MET A 40 12.379 -1.942 -1.402 1.00 74.21 C ATOM 0 H MET A 40 13.899 -5.710 -3.852 1.00 41.11 H new ATOM 0 HA MET A 40 11.320 -5.159 -5.071 1.00 4.34 H new ATOM 0 HB2 MET A 40 13.966 -3.672 -5.126 1.00 63.22 H new ATOM 0 HB3 MET A 40 12.571 -3.188 -6.070 1.00 63.22 H new ATOM 0 HG2 MET A 40 12.582 -1.789 -4.185 1.00 52.15 H new ATOM 0 HG3 MET A 40 11.292 -2.942 -3.910 1.00 52.15 H new ATOM 0 HE1 MET A 40 12.993 -1.777 -0.517 1.00 74.21 H new ATOM 0 HE2 MET A 40 12.341 -1.027 -1.993 1.00 74.21 H new ATOM 0 HE3 MET A 40 11.370 -2.220 -1.097 1.00 74.21 H new ATOM 530 N GLY A 41 13.248 -6.952 -6.559 1.00 25.44 N ATOM 531 CA GLY A 41 13.730 -7.576 -7.795 1.00 65.12 C ATOM 532 C GLY A 41 12.657 -7.855 -8.859 1.00 54.41 C ATOM 533 O GLY A 41 12.973 -8.392 -9.930 1.00 62.14 O ATOM 0 H GLY A 41 13.317 -7.545 -5.732 1.00 25.44 H new ATOM 0 HA2 GLY A 41 14.492 -6.931 -8.233 1.00 65.12 H new ATOM 0 HA3 GLY A 41 14.217 -8.517 -7.540 1.00 65.12 H new ATOM 537 N ALA A 42 11.424 -7.482 -8.595 1.00 33.04 N ATOM 538 CA ALA A 42 10.334 -7.714 -9.515 1.00 35.43 C ATOM 539 C ALA A 42 9.161 -6.835 -9.155 1.00 12.34 C ATOM 540 O ALA A 42 9.141 -6.230 -8.070 1.00 54.34 O ATOM 541 CB ALA A 42 9.914 -9.185 -9.500 1.00 12.00 C ATOM 0 H ALA A 42 11.149 -7.008 -7.734 1.00 33.04 H new ATOM 0 HA ALA A 42 10.672 -7.465 -10.521 1.00 35.43 H new ATOM 0 HB1 ALA A 42 9.092 -9.336 -10.200 1.00 12.00 H new ATOM 0 HB2 ALA A 42 10.759 -9.808 -9.793 1.00 12.00 H new ATOM 0 HB3 ALA A 42 9.591 -9.461 -8.496 1.00 12.00 H new ATOM 547 N GLY A 43 8.210 -6.742 -10.060 1.00 0.33 N ATOM 548 CA GLY A 43 6.995 -6.017 -9.809 1.00 61.40 C ATOM 549 C GLY A 43 7.185 -4.526 -9.748 1.00 1.12 C ATOM 550 O GLY A 43 8.212 -3.992 -10.169 1.00 74.43 O ATOM 0 H GLY A 43 8.262 -7.167 -10.986 1.00 0.33 H new ATOM 0 HA2 GLY A 43 6.274 -6.251 -10.592 1.00 61.40 H new ATOM 0 HA3 GLY A 43 6.566 -6.359 -8.867 1.00 61.40 H new ATOM 554 N ILE A 44 6.199 -3.859 -9.221 1.00 71.12 N ATOM 555 CA ILE A 44 6.210 -2.414 -9.086 1.00 50.44 C ATOM 556 C ILE A 44 7.207 -1.971 -7.986 1.00 5.10 C ATOM 557 O ILE A 44 7.579 -0.805 -7.893 1.00 64.24 O ATOM 558 CB ILE A 44 4.779 -1.846 -8.847 1.00 72.52 C ATOM 559 CG1 ILE A 44 4.768 -0.317 -8.868 1.00 44.10 C ATOM 560 CG2 ILE A 44 4.217 -2.357 -7.545 1.00 62.50 C ATOM 561 CD1 ILE A 44 3.395 0.285 -8.718 1.00 53.33 C ATOM 0 H ILE A 44 5.350 -4.300 -8.866 1.00 71.12 H new ATOM 0 HA ILE A 44 6.556 -1.991 -10.029 1.00 50.44 H new ATOM 0 HB ILE A 44 4.147 -2.194 -9.664 1.00 72.52 H new ATOM 0 HG12 ILE A 44 5.406 0.052 -8.065 1.00 44.10 H new ATOM 0 HG13 ILE A 44 5.205 0.027 -9.806 1.00 44.10 H new ATOM 0 HG21 ILE A 44 3.217 -1.950 -7.395 1.00 62.50 H new ATOM 0 HG22 ILE A 44 4.165 -3.445 -7.573 1.00 62.50 H new ATOM 0 HG23 ILE A 44 4.862 -2.046 -6.723 1.00 62.50 H new ATOM 0 HD11 ILE A 44 3.470 1.372 -8.742 1.00 53.33 H new ATOM 0 HD12 ILE A 44 2.758 -0.053 -9.535 1.00 53.33 H new ATOM 0 HD13 ILE A 44 2.962 -0.028 -7.768 1.00 53.33 H new ATOM 568 N ALA A 45 7.605 -2.921 -7.140 1.00 65.33 N ATOM 569 CA ALA A 45 8.547 -2.656 -6.055 1.00 74.44 C ATOM 570 C ALA A 45 9.855 -2.055 -6.583 1.00 62.23 C ATOM 571 O ALA A 45 10.406 -1.134 -5.974 1.00 64.03 O ATOM 572 CB ALA A 45 8.804 -3.920 -5.242 1.00 53.44 C ATOM 0 H ALA A 45 7.286 -3.889 -7.187 1.00 65.33 H new ATOM 0 HA ALA A 45 8.096 -1.917 -5.393 1.00 74.44 H new ATOM 0 HB1 ALA A 45 9.508 -3.700 -4.440 1.00 53.44 H new ATOM 0 HB2 ALA A 45 7.866 -4.275 -4.815 1.00 53.44 H new ATOM 0 HB3 ALA A 45 9.222 -4.691 -5.890 1.00 53.44 H new ATOM 578 N VAL A 46 10.325 -2.552 -7.730 1.00 45.21 N ATOM 579 CA VAL A 46 11.542 -2.030 -8.356 1.00 52.53 C ATOM 580 C VAL A 46 11.302 -0.595 -8.861 1.00 54.22 C ATOM 581 O VAL A 46 12.209 0.240 -8.859 1.00 73.34 O ATOM 582 CB VAL A 46 12.077 -2.961 -9.495 1.00 54.44 C ATOM 583 CG1 VAL A 46 11.136 -3.057 -10.673 1.00 42.40 C ATOM 584 CG2 VAL A 46 13.478 -2.571 -9.922 1.00 12.35 C ATOM 0 H VAL A 46 9.882 -3.314 -8.243 1.00 45.21 H new ATOM 0 HA VAL A 46 12.323 -2.007 -7.596 1.00 52.53 H new ATOM 0 HB VAL A 46 12.128 -3.964 -9.071 1.00 54.44 H new ATOM 0 HG11 VAL A 46 11.564 -3.717 -11.428 1.00 42.40 H new ATOM 0 HG12 VAL A 46 10.178 -3.458 -10.342 1.00 42.40 H new ATOM 0 HG13 VAL A 46 10.986 -2.066 -11.101 1.00 42.40 H new ATOM 0 HG21 VAL A 46 13.816 -3.239 -10.714 1.00 12.35 H new ATOM 0 HG22 VAL A 46 13.474 -1.545 -10.290 1.00 12.35 H new ATOM 0 HG23 VAL A 46 14.153 -2.648 -9.070 1.00 12.35 H new ATOM 590 N LEU A 47 10.071 -0.314 -9.266 1.00 1.41 N ATOM 591 CA LEU A 47 9.689 1.026 -9.679 1.00 44.14 C ATOM 592 C LEU A 47 9.777 1.985 -8.503 1.00 0.53 C ATOM 593 O LEU A 47 10.425 3.011 -8.608 1.00 3.23 O ATOM 594 CB LEU A 47 8.283 1.033 -10.308 1.00 24.12 C ATOM 595 CG LEU A 47 8.171 0.419 -11.709 1.00 62.02 C ATOM 596 CD1 LEU A 47 6.714 0.236 -12.097 1.00 41.32 C ATOM 597 CD2 LEU A 47 8.825 1.345 -12.710 1.00 25.42 C ATOM 0 H LEU A 47 9.318 -1.000 -9.317 1.00 1.41 H new ATOM 0 HA LEU A 47 10.387 1.364 -10.445 1.00 44.14 H new ATOM 0 HB2 LEU A 47 7.606 0.497 -9.643 1.00 24.12 H new ATOM 0 HB3 LEU A 47 7.933 2.064 -10.356 1.00 24.12 H new ATOM 0 HG LEU A 47 8.665 -0.553 -11.705 1.00 62.02 H new ATOM 0 HD11 LEU A 47 6.655 -0.201 -13.094 1.00 41.32 H new ATOM 0 HD12 LEU A 47 6.227 -0.427 -11.381 1.00 41.32 H new ATOM 0 HD13 LEU A 47 6.213 1.204 -12.095 1.00 41.32 H new ATOM 0 HD21 LEU A 47 8.749 0.914 -13.708 1.00 25.42 H new ATOM 0 HD22 LEU A 47 8.323 2.312 -12.693 1.00 25.42 H new ATOM 0 HD23 LEU A 47 9.876 1.477 -12.451 1.00 25.42 H new ATOM 605 N PHE A 48 9.173 1.617 -7.362 1.00 14.21 N ATOM 606 CA PHE A 48 9.247 2.455 -6.140 1.00 3.00 C ATOM 607 C PHE A 48 10.690 2.608 -5.665 1.00 43.35 C ATOM 608 O PHE A 48 11.061 3.623 -5.049 1.00 51.33 O ATOM 609 CB PHE A 48 8.413 1.887 -4.988 1.00 0.41 C ATOM 610 CG PHE A 48 6.913 1.952 -5.130 1.00 10.22 C ATOM 611 CD1 PHE A 48 6.224 3.136 -4.885 1.00 0.24 C ATOM 612 CD2 PHE A 48 6.183 0.827 -5.450 1.00 10.51 C ATOM 613 CE1 PHE A 48 4.865 3.180 -4.962 1.00 51.45 C ATOM 614 CE2 PHE A 48 4.807 0.878 -5.512 1.00 22.44 C ATOM 615 CZ PHE A 48 4.156 2.064 -5.265 1.00 60.21 C ATOM 0 H PHE A 48 8.634 0.758 -7.253 1.00 14.21 H new ATOM 0 HA PHE A 48 8.839 3.427 -6.419 1.00 3.00 H new ATOM 0 HB2 PHE A 48 8.695 0.843 -4.849 1.00 0.41 H new ATOM 0 HB3 PHE A 48 8.690 2.417 -4.076 1.00 0.41 H new ATOM 0 HD1 PHE A 48 6.773 4.030 -4.631 1.00 0.24 H new ATOM 0 HD2 PHE A 48 6.694 -0.102 -5.654 1.00 10.51 H new ATOM 0 HE1 PHE A 48 4.348 4.111 -4.780 1.00 51.45 H new ATOM 0 HE2 PHE A 48 4.242 -0.010 -5.754 1.00 22.44 H new ATOM 0 HZ PHE A 48 3.078 2.107 -5.312 1.00 60.21 H new ATOM 625 N LYS A 49 11.485 1.589 -5.941 1.00 42.52 N ATOM 626 CA LYS A 49 12.897 1.570 -5.627 1.00 55.22 C ATOM 627 C LYS A 49 13.569 2.762 -6.332 1.00 31.52 C ATOM 628 O LYS A 49 14.338 3.497 -5.716 1.00 52.41 O ATOM 629 CB LYS A 49 13.458 0.196 -6.069 1.00 13.01 C ATOM 630 CG LYS A 49 14.904 -0.154 -5.720 1.00 23.32 C ATOM 631 CD LYS A 49 15.919 0.662 -6.502 1.00 11.00 C ATOM 632 CE LYS A 49 17.322 0.127 -6.316 1.00 31.44 C ATOM 633 NZ LYS A 49 17.785 0.180 -4.919 1.00 1.32 N ATOM 0 H LYS A 49 11.158 0.738 -6.398 1.00 42.52 H new ATOM 0 HA LYS A 49 13.094 1.681 -4.561 1.00 55.22 H new ATOM 0 HB2 LYS A 49 12.819 -0.575 -5.640 1.00 13.01 H new ATOM 0 HB3 LYS A 49 13.354 0.130 -7.152 1.00 13.01 H new ATOM 0 HG2 LYS A 49 15.063 0.005 -4.653 1.00 23.32 H new ATOM 0 HG3 LYS A 49 15.072 -1.214 -5.913 1.00 23.32 H new ATOM 0 HD2 LYS A 49 15.661 0.648 -7.561 1.00 11.00 H new ATOM 0 HD3 LYS A 49 15.879 1.702 -6.178 1.00 11.00 H new ATOM 0 HE2 LYS A 49 17.359 -0.905 -6.665 1.00 31.44 H new ATOM 0 HE3 LYS A 49 18.008 0.700 -6.941 1.00 31.44 H new ATOM 0 HZ1 LYS A 49 18.820 0.080 -4.892 1.00 1.32 H new ATOM 0 HZ2 LYS A 49 17.515 1.092 -4.498 1.00 1.32 H new ATOM 0 HZ3 LYS A 49 17.348 -0.594 -4.379 1.00 1.32 H new ATOM 647 N LYS A 50 13.261 2.948 -7.608 1.00 62.10 N ATOM 648 CA LYS A 50 13.716 4.124 -8.337 1.00 51.44 C ATOM 649 C LYS A 50 13.036 5.401 -7.826 1.00 50.04 C ATOM 650 O LYS A 50 13.698 6.398 -7.564 1.00 43.23 O ATOM 651 CB LYS A 50 13.464 4.021 -9.853 1.00 23.41 C ATOM 652 CG LYS A 50 14.484 3.252 -10.699 1.00 21.31 C ATOM 653 CD LYS A 50 14.561 1.771 -10.411 1.00 1.24 C ATOM 654 CE LYS A 50 15.519 1.115 -11.400 1.00 73.04 C ATOM 655 NZ LYS A 50 15.637 -0.342 -11.207 1.00 34.15 N ATOM 0 H LYS A 50 12.698 2.300 -8.160 1.00 62.10 H new ATOM 0 HA LYS A 50 14.791 4.173 -8.161 1.00 51.44 H new ATOM 0 HB2 LYS A 50 12.489 3.555 -9.999 1.00 23.41 H new ATOM 0 HB3 LYS A 50 13.396 5.034 -10.250 1.00 23.41 H new ATOM 0 HG2 LYS A 50 14.239 3.390 -11.752 1.00 21.31 H new ATOM 0 HG3 LYS A 50 15.470 3.690 -10.541 1.00 21.31 H new ATOM 0 HD2 LYS A 50 14.904 1.605 -9.390 1.00 1.24 H new ATOM 0 HD3 LYS A 50 13.572 1.321 -10.492 1.00 1.24 H new ATOM 0 HE2 LYS A 50 15.177 1.315 -12.416 1.00 73.04 H new ATOM 0 HE3 LYS A 50 16.504 1.570 -11.300 1.00 73.04 H new ATOM 0 HZ1 LYS A 50 16.574 -0.660 -11.526 1.00 34.15 H new ATOM 0 HZ2 LYS A 50 15.519 -0.569 -10.199 1.00 34.15 H new ATOM 0 HZ3 LYS A 50 14.901 -0.826 -11.760 1.00 34.15 H new ATOM 669 N LYS A 51 11.714 5.338 -7.667 1.00 24.32 N ATOM 670 CA LYS A 51 10.889 6.519 -7.347 1.00 70.41 C ATOM 671 C LYS A 51 11.290 7.196 -6.051 1.00 12.24 C ATOM 672 O LYS A 51 11.385 8.416 -5.997 1.00 61.43 O ATOM 673 CB LYS A 51 9.396 6.147 -7.235 1.00 61.24 C ATOM 674 CG LYS A 51 8.793 5.475 -8.451 1.00 12.14 C ATOM 675 CD LYS A 51 8.884 6.324 -9.687 1.00 50.44 C ATOM 676 CE LYS A 51 8.303 5.592 -10.885 1.00 12.32 C ATOM 677 NZ LYS A 51 8.450 6.358 -12.137 1.00 63.35 N ATOM 0 H LYS A 51 11.180 4.474 -7.755 1.00 24.32 H new ATOM 0 HA LYS A 51 11.057 7.210 -8.173 1.00 70.41 H new ATOM 0 HB2 LYS A 51 9.269 5.487 -6.377 1.00 61.24 H new ATOM 0 HB3 LYS A 51 8.829 7.054 -7.026 1.00 61.24 H new ATOM 0 HG2 LYS A 51 9.302 4.528 -8.628 1.00 12.14 H new ATOM 0 HG3 LYS A 51 7.747 5.242 -8.251 1.00 12.14 H new ATOM 0 HD2 LYS A 51 8.348 7.260 -9.531 1.00 50.44 H new ATOM 0 HD3 LYS A 51 9.925 6.581 -9.882 1.00 50.44 H new ATOM 0 HE2 LYS A 51 8.798 4.627 -10.993 1.00 12.32 H new ATOM 0 HE3 LYS A 51 7.247 5.391 -10.707 1.00 12.32 H new ATOM 0 HZ1 LYS A 51 8.039 5.818 -12.925 1.00 63.35 H new ATOM 0 HZ2 LYS A 51 7.956 7.269 -12.047 1.00 63.35 H new ATOM 0 HZ3 LYS A 51 9.459 6.528 -12.323 1.00 63.35 H new ATOM 691 N PHE A 52 11.511 6.430 -5.007 1.00 13.00 N ATOM 692 CA PHE A 52 11.778 7.047 -3.721 1.00 33.12 C ATOM 693 C PHE A 52 13.077 6.566 -3.086 1.00 23.31 C ATOM 694 O PHE A 52 13.665 7.271 -2.263 1.00 24.43 O ATOM 695 CB PHE A 52 10.589 6.827 -2.768 1.00 24.21 C ATOM 696 CG PHE A 52 9.262 7.296 -3.335 1.00 41.34 C ATOM 697 CD1 PHE A 52 9.000 8.649 -3.505 1.00 33.41 C ATOM 698 CD2 PHE A 52 8.286 6.383 -3.699 1.00 24.34 C ATOM 699 CE1 PHE A 52 7.793 9.080 -4.025 1.00 74.44 C ATOM 700 CE2 PHE A 52 7.077 6.811 -4.220 1.00 42.42 C ATOM 701 CZ PHE A 52 6.832 8.160 -4.381 1.00 34.02 C ATOM 0 H PHE A 52 11.513 5.410 -5.015 1.00 13.00 H new ATOM 0 HA PHE A 52 11.903 8.115 -3.902 1.00 33.12 H new ATOM 0 HB2 PHE A 52 10.518 5.766 -2.528 1.00 24.21 H new ATOM 0 HB3 PHE A 52 10.781 7.353 -1.833 1.00 24.21 H new ATOM 0 HD1 PHE A 52 9.750 9.375 -3.227 1.00 33.41 H new ATOM 0 HD2 PHE A 52 8.470 5.326 -3.575 1.00 24.34 H new ATOM 0 HE1 PHE A 52 7.605 10.136 -4.152 1.00 74.44 H new ATOM 0 HE2 PHE A 52 6.325 6.089 -4.501 1.00 42.42 H new ATOM 0 HZ PHE A 52 5.888 8.493 -4.786 1.00 34.02 H new ATOM 711 N GLY A 53 13.532 5.382 -3.472 1.00 44.23 N ATOM 712 CA GLY A 53 14.730 4.822 -2.855 1.00 62.50 C ATOM 713 C GLY A 53 14.452 4.412 -1.428 1.00 60.32 C ATOM 714 O GLY A 53 15.300 4.537 -0.549 1.00 41.34 O ATOM 0 H GLY A 53 13.103 4.801 -4.192 1.00 44.23 H new ATOM 0 HA2 GLY A 53 15.071 3.959 -3.427 1.00 62.50 H new ATOM 0 HA3 GLY A 53 15.535 5.557 -2.878 1.00 62.50 H new ATOM 718 N GLY A 54 13.247 3.905 -1.223 1.00 42.52 N ATOM 719 CA GLY A 54 12.775 3.531 0.089 1.00 71.11 C ATOM 720 C GLY A 54 13.575 2.440 0.756 1.00 62.54 C ATOM 721 O GLY A 54 13.628 2.389 1.974 1.00 52.05 O ATOM 0 H GLY A 54 12.570 3.743 -1.969 1.00 42.52 H new ATOM 0 HA2 GLY A 54 12.784 4.413 0.729 1.00 71.11 H new ATOM 0 HA3 GLY A 54 11.738 3.206 0.009 1.00 71.11 H new ATOM 725 N VAL A 55 14.205 1.584 -0.043 1.00 64.13 N ATOM 726 CA VAL A 55 14.943 0.426 0.467 1.00 10.21 C ATOM 727 C VAL A 55 15.941 0.792 1.586 1.00 70.02 C ATOM 728 O VAL A 55 15.912 0.190 2.657 1.00 71.41 O ATOM 729 CB VAL A 55 15.637 -0.383 -0.679 1.00 50.30 C ATOM 730 CG1 VAL A 55 16.603 0.474 -1.489 1.00 61.40 C ATOM 731 CG2 VAL A 55 16.331 -1.626 -0.132 1.00 54.25 C ATOM 0 H VAL A 55 14.220 1.670 -1.059 1.00 64.13 H new ATOM 0 HA VAL A 55 14.196 -0.225 0.920 1.00 10.21 H new ATOM 0 HB VAL A 55 14.850 -0.705 -1.361 1.00 50.30 H new ATOM 0 HG11 VAL A 55 17.059 -0.132 -2.272 1.00 61.40 H new ATOM 0 HG12 VAL A 55 16.061 1.304 -1.942 1.00 61.40 H new ATOM 0 HG13 VAL A 55 17.381 0.864 -0.833 1.00 61.40 H new ATOM 0 HG21 VAL A 55 16.804 -2.168 -0.950 1.00 54.25 H new ATOM 0 HG22 VAL A 55 17.089 -1.330 0.593 1.00 54.25 H new ATOM 0 HG23 VAL A 55 15.597 -2.269 0.353 1.00 54.25 H new ATOM 737 N GLN A 56 16.776 1.800 1.361 1.00 42.21 N ATOM 738 CA GLN A 56 17.737 2.191 2.365 1.00 5.22 C ATOM 739 C GLN A 56 17.087 2.725 3.591 1.00 32.12 C ATOM 740 O GLN A 56 17.504 2.398 4.698 1.00 14.12 O ATOM 741 CB GLN A 56 18.733 3.175 1.853 1.00 11.51 C ATOM 742 CG GLN A 56 19.675 3.631 2.935 1.00 64.24 C ATOM 743 CD GLN A 56 20.832 4.311 2.377 1.00 74.32 C ATOM 744 OE1 GLN A 56 20.850 5.527 2.192 1.00 12.43 O ATOM 745 NE2 GLN A 56 21.808 3.540 2.099 1.00 34.13 N ATOM 0 H GLN A 56 16.802 2.350 0.502 1.00 42.21 H new ATOM 0 HA GLN A 56 18.268 1.276 2.627 1.00 5.22 H new ATOM 0 HB2 GLN A 56 19.303 2.725 1.040 1.00 11.51 H new ATOM 0 HB3 GLN A 56 18.212 4.037 1.438 1.00 11.51 H new ATOM 0 HG2 GLN A 56 19.151 4.300 3.617 1.00 64.24 H new ATOM 0 HG3 GLN A 56 20.003 2.772 3.520 1.00 64.24 H new ATOM 0 HE21 GLN A 56 21.733 2.538 2.276 1.00 34.13 H new ATOM 0 HE22 GLN A 56 22.664 3.925 1.700 1.00 34.13 H new ATOM 753 N GLU A 57 16.069 3.540 3.406 1.00 2.44 N ATOM 754 CA GLU A 57 15.352 4.115 4.516 1.00 53.12 C ATOM 755 C GLU A 57 14.864 3.014 5.428 1.00 75.40 C ATOM 756 O GLU A 57 15.091 3.054 6.617 1.00 12.44 O ATOM 757 CB GLU A 57 14.171 4.951 4.031 1.00 42.24 C ATOM 758 CG GLU A 57 14.549 6.132 3.155 1.00 23.24 C ATOM 759 CD GLU A 57 15.481 7.090 3.851 1.00 33.01 C ATOM 760 OE1 GLU A 57 15.041 7.793 4.784 1.00 1.41 O ATOM 761 OE2 GLU A 57 16.671 7.141 3.488 1.00 11.33 O ATOM 0 H GLU A 57 15.721 3.818 2.489 1.00 2.44 H new ATOM 0 HA GLU A 57 16.029 4.770 5.063 1.00 53.12 H new ATOM 0 HB2 GLU A 57 13.491 4.306 3.475 1.00 42.24 H new ATOM 0 HB3 GLU A 57 13.623 5.320 4.898 1.00 42.24 H new ATOM 0 HG2 GLU A 57 15.022 5.768 2.243 1.00 23.24 H new ATOM 0 HG3 GLU A 57 13.645 6.662 2.855 1.00 23.24 H new ATOM 768 N LEU A 58 14.280 1.997 4.832 1.00 50.22 N ATOM 769 CA LEU A 58 13.687 0.883 5.568 1.00 5.12 C ATOM 770 C LEU A 58 14.772 0.080 6.289 1.00 24.21 C ATOM 771 O LEU A 58 14.605 -0.311 7.450 1.00 2.43 O ATOM 772 CB LEU A 58 12.944 -0.036 4.602 1.00 21.00 C ATOM 773 CG LEU A 58 11.900 0.625 3.705 1.00 11.04 C ATOM 774 CD1 LEU A 58 11.280 -0.388 2.786 1.00 62.32 C ATOM 775 CD2 LEU A 58 10.838 1.321 4.518 1.00 60.14 C ATOM 0 H LEU A 58 14.199 1.912 3.819 1.00 50.22 H new ATOM 0 HA LEU A 58 12.992 1.286 6.304 1.00 5.12 H new ATOM 0 HB2 LEU A 58 13.679 -0.529 3.965 1.00 21.00 H new ATOM 0 HB3 LEU A 58 12.451 -0.816 5.183 1.00 21.00 H new ATOM 0 HG LEU A 58 12.407 1.380 3.103 1.00 11.04 H new ATOM 0 HD11 LEU A 58 10.538 0.100 2.154 1.00 62.32 H new ATOM 0 HD12 LEU A 58 12.054 -0.833 2.160 1.00 62.32 H new ATOM 0 HD13 LEU A 58 10.798 -1.167 3.376 1.00 62.32 H new ATOM 0 HD21 LEU A 58 10.111 1.781 3.849 1.00 60.14 H new ATOM 0 HD22 LEU A 58 10.335 0.595 5.157 1.00 60.14 H new ATOM 0 HD23 LEU A 58 11.299 2.091 5.137 1.00 60.14 H new ATOM 783 N LEU A 59 15.884 -0.169 5.592 1.00 23.13 N ATOM 784 CA LEU A 59 17.028 -0.912 6.155 1.00 4.35 C ATOM 785 C LEU A 59 17.624 -0.149 7.328 1.00 40.41 C ATOM 786 O LEU A 59 18.073 -0.731 8.315 1.00 72.32 O ATOM 787 CB LEU A 59 18.113 -1.142 5.080 1.00 33.23 C ATOM 788 CG LEU A 59 17.698 -1.969 3.855 1.00 1.21 C ATOM 789 CD1 LEU A 59 18.850 -2.084 2.873 1.00 11.20 C ATOM 790 CD2 LEU A 59 17.209 -3.354 4.268 1.00 22.14 C ATOM 0 H LEU A 59 16.022 0.134 4.628 1.00 23.13 H new ATOM 0 HA LEU A 59 16.667 -1.880 6.501 1.00 4.35 H new ATOM 0 HB2 LEU A 59 18.461 -0.169 4.733 1.00 33.23 H new ATOM 0 HB3 LEU A 59 18.963 -1.635 5.553 1.00 33.23 H new ATOM 0 HG LEU A 59 16.874 -1.452 3.364 1.00 1.21 H new ATOM 0 HD11 LEU A 59 18.536 -2.674 2.012 1.00 11.20 H new ATOM 0 HD12 LEU A 59 19.147 -1.089 2.543 1.00 11.20 H new ATOM 0 HD13 LEU A 59 19.695 -2.572 3.359 1.00 11.20 H new ATOM 0 HD21 LEU A 59 16.922 -3.918 3.381 1.00 22.14 H new ATOM 0 HD22 LEU A 59 18.008 -3.881 4.790 1.00 22.14 H new ATOM 0 HD23 LEU A 59 16.348 -3.254 4.929 1.00 22.14 H new ATOM 798 N ASN A 60 17.607 1.148 7.203 1.00 11.34 N ATOM 799 CA ASN A 60 18.126 2.058 8.203 1.00 14.05 C ATOM 800 C ASN A 60 17.153 2.184 9.393 1.00 22.15 C ATOM 801 O ASN A 60 17.579 2.282 10.548 1.00 53.41 O ATOM 802 CB ASN A 60 18.423 3.410 7.517 1.00 72.42 C ATOM 803 CG ASN A 60 18.914 4.519 8.419 1.00 34.43 C ATOM 804 OD1 ASN A 60 19.513 4.291 9.468 1.00 11.43 O ATOM 805 ND2 ASN A 60 18.719 5.729 7.972 1.00 72.23 N ATOM 0 H ASN A 60 17.224 1.621 6.384 1.00 11.34 H new ATOM 0 HA ASN A 60 19.055 1.675 8.626 1.00 14.05 H new ATOM 0 HB2 ASN A 60 19.169 3.244 6.740 1.00 72.42 H new ATOM 0 HB3 ASN A 60 17.515 3.749 7.019 1.00 72.42 H new ATOM 0 HD21 ASN A 60 19.069 6.530 8.498 1.00 72.23 H new ATOM 0 HD22 ASN A 60 18.217 5.874 7.096 1.00 72.23 H new ATOM 811 N GLN A 61 15.854 2.157 9.105 1.00 43.01 N ATOM 812 CA GLN A 61 14.807 2.194 10.142 1.00 1.45 C ATOM 813 C GLN A 61 14.792 0.908 10.948 1.00 34.40 C ATOM 814 O GLN A 61 14.619 0.936 12.166 1.00 50.35 O ATOM 815 CB GLN A 61 13.427 2.341 9.510 1.00 3.52 C ATOM 816 CG GLN A 61 13.178 3.624 8.772 1.00 4.34 C ATOM 817 CD GLN A 61 11.883 3.571 8.003 1.00 63.15 C ATOM 818 OE1 GLN A 61 11.860 3.169 6.870 1.00 5.41 O ATOM 819 NE2 GLN A 61 10.812 3.967 8.612 1.00 21.51 N ATOM 0 H GLN A 61 15.491 2.109 8.153 1.00 43.01 H new ATOM 0 HA GLN A 61 15.031 3.045 10.785 1.00 1.45 H new ATOM 0 HB2 GLN A 61 13.275 1.512 8.819 1.00 3.52 H new ATOM 0 HB3 GLN A 61 12.677 2.244 10.295 1.00 3.52 H new ATOM 0 HG2 GLN A 61 13.150 4.453 9.479 1.00 4.34 H new ATOM 0 HG3 GLN A 61 14.003 3.818 8.086 1.00 4.34 H new ATOM 0 HE21 GLN A 61 10.867 4.302 9.574 1.00 21.51 H new ATOM 0 HE22 GLN A 61 9.913 3.944 8.130 1.00 21.51 H new ATOM 827 N GLN A 62 14.960 -0.207 10.243 1.00 53.41 N ATOM 828 CA GLN A 62 14.892 -1.562 10.797 1.00 54.04 C ATOM 829 C GLN A 62 13.456 -1.932 11.126 1.00 32.32 C ATOM 830 O GLN A 62 13.005 -1.821 12.277 1.00 44.30 O ATOM 831 CB GLN A 62 15.816 -1.789 12.005 1.00 40.52 C ATOM 832 CG GLN A 62 17.275 -1.541 11.722 1.00 44.40 C ATOM 833 CD GLN A 62 18.152 -1.791 12.933 1.00 52.14 C ATOM 834 OE1 GLN A 62 17.851 -2.636 13.783 1.00 23.42 O ATOM 835 NE2 GLN A 62 19.223 -1.060 13.035 1.00 24.13 N ATOM 0 H GLN A 62 15.153 -0.196 9.241 1.00 53.41 H new ATOM 0 HA GLN A 62 15.264 -2.228 10.018 1.00 54.04 H new ATOM 0 HB2 GLN A 62 15.499 -1.136 12.818 1.00 40.52 H new ATOM 0 HB3 GLN A 62 15.694 -2.815 12.354 1.00 40.52 H new ATOM 0 HG2 GLN A 62 17.598 -2.186 10.904 1.00 44.40 H new ATOM 0 HG3 GLN A 62 17.407 -0.512 11.388 1.00 44.40 H new ATOM 0 HE21 GLN A 62 19.441 -0.372 12.315 1.00 24.13 H new ATOM 0 HE22 GLN A 62 19.845 -1.175 13.835 1.00 24.13 H new ATOM 843 N LYS A 63 12.724 -2.292 10.105 1.00 30.23 N ATOM 844 CA LYS A 63 11.352 -2.689 10.239 1.00 22.21 C ATOM 845 C LYS A 63 11.230 -4.171 10.037 1.00 14.44 C ATOM 846 O LYS A 63 11.912 -4.748 9.179 1.00 45.35 O ATOM 847 CB LYS A 63 10.475 -1.911 9.275 1.00 53.23 C ATOM 848 CG LYS A 63 10.493 -0.413 9.538 1.00 44.11 C ATOM 849 CD LYS A 63 10.075 -0.122 10.963 1.00 14.22 C ATOM 850 CE LYS A 63 9.926 1.362 11.210 1.00 22.33 C ATOM 851 NZ LYS A 63 9.490 1.659 12.594 1.00 1.14 N ATOM 0 H LYS A 63 13.070 -2.317 9.146 1.00 30.23 H new ATOM 0 HA LYS A 63 11.005 -2.458 11.246 1.00 22.21 H new ATOM 0 HB2 LYS A 63 10.808 -2.100 8.255 1.00 53.23 H new ATOM 0 HB3 LYS A 63 9.450 -2.276 9.348 1.00 53.23 H new ATOM 0 HG2 LYS A 63 11.493 -0.018 9.358 1.00 44.11 H new ATOM 0 HG3 LYS A 63 9.821 0.092 8.845 1.00 44.11 H new ATOM 0 HD2 LYS A 63 9.130 -0.623 11.175 1.00 14.22 H new ATOM 0 HD3 LYS A 63 10.815 -0.533 11.650 1.00 14.22 H new ATOM 0 HE2 LYS A 63 10.877 1.858 11.016 1.00 22.33 H new ATOM 0 HE3 LYS A 63 9.203 1.775 10.507 1.00 22.33 H new ATOM 0 HZ1 LYS A 63 9.401 2.688 12.717 1.00 1.14 H new ATOM 0 HZ2 LYS A 63 8.570 1.209 12.772 1.00 1.14 H new ATOM 0 HZ3 LYS A 63 10.192 1.289 13.266 1.00 1.14 H new ATOM 865 N LYS A 64 10.377 -4.786 10.809 1.00 41.25 N ATOM 866 CA LYS A 64 10.310 -6.226 10.842 1.00 10.41 C ATOM 867 C LYS A 64 8.936 -6.776 10.507 1.00 45.33 C ATOM 868 O LYS A 64 7.961 -6.050 10.427 1.00 24.34 O ATOM 869 CB LYS A 64 10.787 -6.727 12.201 1.00 72.34 C ATOM 870 CG LYS A 64 12.230 -6.365 12.482 1.00 22.21 C ATOM 871 CD LYS A 64 12.674 -6.803 13.850 1.00 40.33 C ATOM 872 CE LYS A 64 14.120 -6.418 14.068 1.00 11.33 C ATOM 873 NZ LYS A 64 14.598 -6.782 15.407 1.00 21.14 N ATOM 0 H LYS A 64 9.716 -4.314 11.426 1.00 41.25 H new ATOM 0 HA LYS A 64 10.971 -6.598 10.059 1.00 10.41 H new ATOM 0 HB2 LYS A 64 10.153 -6.308 12.982 1.00 72.34 H new ATOM 0 HB3 LYS A 64 10.673 -7.810 12.245 1.00 72.34 H new ATOM 0 HG2 LYS A 64 12.871 -6.826 11.730 1.00 22.21 H new ATOM 0 HG3 LYS A 64 12.356 -5.286 12.390 1.00 22.21 H new ATOM 0 HD2 LYS A 64 12.046 -6.340 14.611 1.00 40.33 H new ATOM 0 HD3 LYS A 64 12.556 -7.882 13.952 1.00 40.33 H new ATOM 0 HE2 LYS A 64 14.741 -6.907 13.318 1.00 11.33 H new ATOM 0 HE3 LYS A 64 14.233 -5.344 13.924 1.00 11.33 H new ATOM 0 HZ1 LYS A 64 15.593 -6.498 15.509 1.00 21.14 H new ATOM 0 HZ2 LYS A 64 14.024 -6.295 16.125 1.00 21.14 H new ATOM 0 HZ3 LYS A 64 14.516 -7.811 15.537 1.00 21.14 H new ATOM 887 N SER A 65 8.905 -8.069 10.313 1.00 22.20 N ATOM 888 CA SER A 65 7.733 -8.844 9.944 1.00 23.31 C ATOM 889 C SER A 65 6.522 -8.628 10.871 1.00 61.41 C ATOM 890 O SER A 65 6.651 -8.636 12.104 1.00 13.22 O ATOM 891 CB SER A 65 8.146 -10.317 9.885 1.00 62.04 C ATOM 892 OG SER A 65 8.872 -10.704 11.056 1.00 51.23 O ATOM 0 H SER A 65 9.739 -8.648 10.412 1.00 22.20 H new ATOM 0 HA SER A 65 7.387 -8.500 8.969 1.00 23.31 H new ATOM 0 HB2 SER A 65 7.258 -10.941 9.783 1.00 62.04 H new ATOM 0 HB3 SER A 65 8.760 -10.489 9.001 1.00 62.04 H new ATOM 0 HG SER A 65 9.815 -10.458 10.953 1.00 51.23 H new ATOM 898 N GLY A 66 5.349 -8.414 10.262 1.00 14.11 N ATOM 899 CA GLY A 66 4.121 -8.212 11.029 1.00 50.14 C ATOM 900 C GLY A 66 3.947 -6.764 11.432 1.00 10.33 C ATOM 901 O GLY A 66 3.116 -6.433 12.282 1.00 11.40 O ATOM 0 H GLY A 66 5.228 -8.377 9.250 1.00 14.11 H new ATOM 0 HA2 GLY A 66 3.264 -8.530 10.435 1.00 50.14 H new ATOM 0 HA3 GLY A 66 4.141 -8.838 11.921 1.00 50.14 H new ATOM 905 N GLU A 67 4.729 -5.922 10.815 1.00 43.40 N ATOM 906 CA GLU A 67 4.775 -4.538 11.061 1.00 74.32 C ATOM 907 C GLU A 67 4.780 -3.831 9.699 1.00 2.15 C ATOM 908 O GLU A 67 4.945 -4.487 8.661 1.00 11.45 O ATOM 909 CB GLU A 67 6.060 -4.292 11.862 1.00 15.21 C ATOM 910 CG GLU A 67 6.485 -2.883 12.025 1.00 24.52 C ATOM 911 CD GLU A 67 7.744 -2.771 12.849 1.00 30.11 C ATOM 912 OE1 GLU A 67 8.847 -2.984 12.314 1.00 44.32 O ATOM 913 OE2 GLU A 67 7.642 -2.484 14.062 1.00 24.31 O ATOM 0 H GLU A 67 5.382 -6.217 10.089 1.00 43.40 H new ATOM 0 HA GLU A 67 3.926 -4.157 11.629 1.00 74.32 H new ATOM 0 HB2 GLU A 67 5.930 -4.725 12.854 1.00 15.21 H new ATOM 0 HB3 GLU A 67 6.871 -4.838 11.380 1.00 15.21 H new ATOM 0 HG2 GLU A 67 6.651 -2.437 11.044 1.00 24.52 H new ATOM 0 HG3 GLU A 67 5.686 -2.315 12.502 1.00 24.52 H new ATOM 920 N VAL A 68 4.584 -2.540 9.687 1.00 21.11 N ATOM 921 CA VAL A 68 4.574 -1.802 8.458 1.00 73.44 C ATOM 922 C VAL A 68 5.595 -0.687 8.546 1.00 52.30 C ATOM 923 O VAL A 68 5.811 -0.106 9.624 1.00 71.54 O ATOM 924 CB VAL A 68 3.159 -1.201 8.149 1.00 15.22 C ATOM 925 CG1 VAL A 68 2.757 -0.141 9.169 1.00 42.32 C ATOM 926 CG2 VAL A 68 3.095 -0.637 6.743 1.00 31.52 C ATOM 0 H VAL A 68 4.428 -1.976 10.523 1.00 21.11 H new ATOM 0 HA VAL A 68 4.824 -2.485 7.646 1.00 73.44 H new ATOM 0 HB VAL A 68 2.444 -2.020 8.223 1.00 15.22 H new ATOM 0 HG11 VAL A 68 1.771 0.250 8.918 1.00 42.32 H new ATOM 0 HG12 VAL A 68 2.729 -0.585 10.164 1.00 42.32 H new ATOM 0 HG13 VAL A 68 3.483 0.672 9.155 1.00 42.32 H new ATOM 0 HG21 VAL A 68 2.101 -0.228 6.560 1.00 31.52 H new ATOM 0 HG22 VAL A 68 3.838 0.153 6.634 1.00 31.52 H new ATOM 0 HG23 VAL A 68 3.299 -1.430 6.023 1.00 31.52 H new ATOM 932 N ALA A 69 6.241 -0.422 7.464 1.00 32.04 N ATOM 933 CA ALA A 69 7.168 0.660 7.390 1.00 43.44 C ATOM 934 C ALA A 69 6.545 1.763 6.579 1.00 32.42 C ATOM 935 O ALA A 69 5.942 1.496 5.547 1.00 11.14 O ATOM 936 CB ALA A 69 8.460 0.199 6.764 1.00 11.20 C ATOM 0 H ALA A 69 6.142 -0.952 6.598 1.00 32.04 H new ATOM 0 HA ALA A 69 7.398 1.027 8.390 1.00 43.44 H new ATOM 0 HB1 ALA A 69 9.158 1.034 6.714 1.00 11.20 H new ATOM 0 HB2 ALA A 69 8.892 -0.599 7.367 1.00 11.20 H new ATOM 0 HB3 ALA A 69 8.265 -0.172 5.758 1.00 11.20 H new ATOM 942 N VAL A 70 6.647 2.976 7.040 1.00 72.14 N ATOM 943 CA VAL A 70 6.060 4.084 6.330 1.00 3.52 C ATOM 944 C VAL A 70 7.113 5.131 6.127 1.00 53.42 C ATOM 945 O VAL A 70 7.943 5.361 7.014 1.00 63.43 O ATOM 946 CB VAL A 70 4.883 4.743 7.111 1.00 64.43 C ATOM 947 CG1 VAL A 70 4.120 5.739 6.246 1.00 73.13 C ATOM 948 CG2 VAL A 70 3.961 3.719 7.758 1.00 20.21 C ATOM 0 H VAL A 70 7.130 3.227 7.903 1.00 72.14 H new ATOM 0 HA VAL A 70 5.671 3.697 5.388 1.00 3.52 H new ATOM 0 HB VAL A 70 5.330 5.306 7.930 1.00 64.43 H new ATOM 0 HG11 VAL A 70 3.308 6.177 6.826 1.00 73.13 H new ATOM 0 HG12 VAL A 70 4.796 6.527 5.916 1.00 73.13 H new ATOM 0 HG13 VAL A 70 3.709 5.226 5.376 1.00 73.13 H new ATOM 0 HG21 VAL A 70 3.160 4.234 8.288 1.00 20.21 H new ATOM 0 HG22 VAL A 70 3.533 3.077 6.988 1.00 20.21 H new ATOM 0 HG23 VAL A 70 4.529 3.111 8.462 1.00 20.21 H new ATOM 954 N LEU A 71 7.102 5.746 4.994 1.00 32.34 N ATOM 955 CA LEU A 71 8.017 6.804 4.705 1.00 10.53 C ATOM 956 C LEU A 71 7.246 8.024 4.309 1.00 74.24 C ATOM 957 O LEU A 71 6.345 7.939 3.468 1.00 73.42 O ATOM 958 CB LEU A 71 8.937 6.417 3.542 1.00 42.01 C ATOM 959 CG LEU A 71 9.805 5.177 3.727 1.00 43.10 C ATOM 960 CD1 LEU A 71 10.620 4.924 2.481 1.00 63.41 C ATOM 961 CD2 LEU A 71 10.716 5.339 4.921 1.00 5.40 C ATOM 0 H LEU A 71 6.455 5.530 4.235 1.00 32.34 H new ATOM 0 HA LEU A 71 8.618 6.997 5.594 1.00 10.53 H new ATOM 0 HB2 LEU A 71 8.319 6.268 2.657 1.00 42.01 H new ATOM 0 HB3 LEU A 71 9.594 7.262 3.334 1.00 42.01 H new ATOM 0 HG LEU A 71 9.153 4.321 3.904 1.00 43.10 H new ATOM 0 HD11 LEU A 71 11.236 4.036 2.623 1.00 63.41 H new ATOM 0 HD12 LEU A 71 9.951 4.769 1.634 1.00 63.41 H new ATOM 0 HD13 LEU A 71 11.261 5.783 2.285 1.00 63.41 H new ATOM 0 HD21 LEU A 71 11.327 4.444 5.036 1.00 5.40 H new ATOM 0 HD22 LEU A 71 11.363 6.203 4.770 1.00 5.40 H new ATOM 0 HD23 LEU A 71 10.116 5.487 5.819 1.00 5.40 H new ATOM 969 N LYS A 72 7.546 9.144 4.915 1.00 53.21 N ATOM 970 CA LYS A 72 6.974 10.363 4.458 1.00 73.12 C ATOM 971 C LYS A 72 7.898 10.875 3.393 1.00 71.23 C ATOM 972 O LYS A 72 9.043 11.254 3.674 1.00 34.14 O ATOM 973 CB LYS A 72 6.882 11.367 5.592 1.00 72.24 C ATOM 974 CG LYS A 72 6.331 12.729 5.189 1.00 2.10 C ATOM 975 CD LYS A 72 6.239 13.649 6.393 1.00 2.23 C ATOM 976 CE LYS A 72 5.771 15.044 6.010 1.00 11.33 C ATOM 977 NZ LYS A 72 6.717 15.735 5.096 1.00 52.45 N ATOM 0 H LYS A 72 8.175 9.228 5.714 1.00 53.21 H new ATOM 0 HA LYS A 72 5.963 10.209 4.079 1.00 73.12 H new ATOM 0 HB2 LYS A 72 6.250 10.952 6.377 1.00 72.24 H new ATOM 0 HB3 LYS A 72 7.875 11.504 6.021 1.00 72.24 H new ATOM 0 HG2 LYS A 72 6.974 13.177 4.431 1.00 2.10 H new ATOM 0 HG3 LYS A 72 5.345 12.609 4.740 1.00 2.10 H new ATOM 0 HD2 LYS A 72 5.550 13.223 7.123 1.00 2.23 H new ATOM 0 HD3 LYS A 72 7.214 13.714 6.875 1.00 2.23 H new ATOM 0 HE2 LYS A 72 4.794 14.976 5.532 1.00 11.33 H new ATOM 0 HE3 LYS A 72 5.643 15.641 6.913 1.00 11.33 H new ATOM 0 HZ1 LYS A 72 6.452 16.737 5.015 1.00 52.45 H new ATOM 0 HZ2 LYS A 72 7.682 15.662 5.476 1.00 52.45 H new ATOM 0 HZ3 LYS A 72 6.680 15.290 4.157 1.00 52.45 H new ATOM 991 N ARG A 73 7.446 10.834 2.201 1.00 12.14 N ATOM 992 CA ARG A 73 8.236 11.247 1.066 1.00 0.34 C ATOM 993 C ARG A 73 7.335 11.972 0.098 1.00 45.41 C ATOM 994 O ARG A 73 6.220 11.547 -0.093 1.00 1.34 O ATOM 995 CB ARG A 73 8.844 10.008 0.394 1.00 30.32 C ATOM 996 CG ARG A 73 9.847 10.284 -0.722 1.00 40.35 C ATOM 997 CD ARG A 73 11.137 10.909 -0.208 1.00 11.01 C ATOM 998 NE ARG A 73 12.118 11.096 -1.292 1.00 31.01 N ATOM 999 CZ ARG A 73 13.452 10.892 -1.180 1.00 25.43 C ATOM 1000 NH1 ARG A 73 13.984 10.509 -0.014 1.00 61.52 N ATOM 1001 NH2 ARG A 73 14.243 11.074 -2.240 1.00 65.32 N ATOM 0 H ARG A 73 6.508 10.512 1.962 1.00 12.14 H new ATOM 0 HA ARG A 73 9.043 11.908 1.382 1.00 0.34 H new ATOM 0 HB2 ARG A 73 9.336 9.408 1.159 1.00 30.32 H new ATOM 0 HB3 ARG A 73 8.033 9.404 -0.013 1.00 30.32 H new ATOM 0 HG2 ARG A 73 10.079 9.351 -1.236 1.00 40.35 H new ATOM 0 HG3 ARG A 73 9.393 10.949 -1.457 1.00 40.35 H new ATOM 0 HD2 ARG A 73 10.917 11.871 0.254 1.00 11.01 H new ATOM 0 HD3 ARG A 73 11.566 10.274 0.567 1.00 11.01 H new ATOM 0 HE ARG A 73 11.764 11.403 -2.198 1.00 31.01 H new ATOM 0 HH11 ARG A 73 13.384 10.369 0.799 1.00 61.52 H new ATOM 0 HH12 ARG A 73 14.990 10.357 0.062 1.00 61.52 H new ATOM 0 HH21 ARG A 73 13.842 11.366 -3.131 1.00 65.32 H new ATOM 0 HH22 ARG A 73 15.248 10.921 -2.159 1.00 65.32 H new ATOM 1013 N ASP A 74 7.795 13.063 -0.484 1.00 2.31 N ATOM 1014 CA ASP A 74 7.038 13.799 -1.538 1.00 30.31 C ATOM 1015 C ASP A 74 5.651 14.270 -1.010 1.00 21.50 C ATOM 1016 O ASP A 74 4.698 14.492 -1.758 1.00 41.44 O ATOM 1017 CB ASP A 74 6.902 12.870 -2.795 1.00 30.43 C ATOM 1018 CG ASP A 74 6.191 13.493 -3.986 1.00 32.34 C ATOM 1019 OD1 ASP A 74 6.787 14.394 -4.652 1.00 70.33 O ATOM 1020 OD2 ASP A 74 5.035 13.107 -4.279 1.00 0.15 O ATOM 0 H ASP A 74 8.697 13.481 -0.257 1.00 2.31 H new ATOM 0 HA ASP A 74 7.580 14.702 -1.820 1.00 30.31 H new ATOM 0 HB2 ASP A 74 7.899 12.561 -3.108 1.00 30.43 H new ATOM 0 HB3 ASP A 74 6.366 11.967 -2.503 1.00 30.43 H new ATOM 1025 N GLY A 75 5.586 14.503 0.284 1.00 51.32 N ATOM 1026 CA GLY A 75 4.364 14.962 0.909 1.00 64.43 C ATOM 1027 C GLY A 75 3.317 13.874 1.043 1.00 14.24 C ATOM 1028 O GLY A 75 2.196 14.137 1.499 1.00 73.11 O ATOM 0 H GLY A 75 6.369 14.381 0.926 1.00 51.32 H new ATOM 0 HA2 GLY A 75 4.596 15.358 1.898 1.00 64.43 H new ATOM 0 HA3 GLY A 75 3.951 15.784 0.325 1.00 64.43 H new ATOM 1032 N ARG A 76 3.672 12.674 0.664 1.00 65.31 N ATOM 1033 CA ARG A 76 2.776 11.559 0.722 1.00 24.01 C ATOM 1034 C ARG A 76 3.369 10.491 1.623 1.00 12.21 C ATOM 1035 O ARG A 76 4.535 10.588 2.039 1.00 54.34 O ATOM 1036 CB ARG A 76 2.541 10.996 -0.695 1.00 53.24 C ATOM 1037 CG ARG A 76 3.800 10.469 -1.361 1.00 62.24 C ATOM 1038 CD ARG A 76 3.548 9.947 -2.755 1.00 35.04 C ATOM 1039 NE ARG A 76 3.170 10.994 -3.722 1.00 72.25 N ATOM 1040 CZ ARG A 76 2.092 10.925 -4.514 1.00 75.21 C ATOM 1041 NH1 ARG A 76 1.146 10.022 -4.268 1.00 43.44 N ATOM 1042 NH2 ARG A 76 1.931 11.792 -5.516 1.00 40.03 N ATOM 0 H ARG A 76 4.599 12.446 0.304 1.00 65.31 H new ATOM 0 HA ARG A 76 1.817 11.881 1.128 1.00 24.01 H new ATOM 0 HB2 ARG A 76 1.807 10.192 -0.639 1.00 53.24 H new ATOM 0 HB3 ARG A 76 2.111 11.778 -1.320 1.00 53.24 H new ATOM 0 HG2 ARG A 76 4.543 11.265 -1.405 1.00 62.24 H new ATOM 0 HG3 ARG A 76 4.223 9.671 -0.750 1.00 62.24 H new ATOM 0 HD2 ARG A 76 4.446 9.442 -3.112 1.00 35.04 H new ATOM 0 HD3 ARG A 76 2.756 9.199 -2.715 1.00 35.04 H new ATOM 0 HE ARG A 76 3.765 11.820 -3.792 1.00 72.25 H new ATOM 0 HH11 ARG A 76 1.243 9.384 -3.478 1.00 43.44 H new ATOM 0 HH12 ARG A 76 0.324 9.968 -4.870 1.00 43.44 H new ATOM 0 HH21 ARG A 76 2.632 12.514 -5.683 1.00 40.03 H new ATOM 0 HH22 ARG A 76 1.107 11.732 -6.114 1.00 40.03 H new ATOM 1054 N TYR A 77 2.591 9.502 1.942 1.00 11.04 N ATOM 1055 CA TYR A 77 3.066 8.405 2.727 1.00 4.23 C ATOM 1056 C TYR A 77 3.227 7.180 1.896 1.00 63.51 C ATOM 1057 O TYR A 77 2.466 6.957 0.951 1.00 30.45 O ATOM 1058 CB TYR A 77 2.189 8.148 3.941 1.00 40.03 C ATOM 1059 CG TYR A 77 2.366 9.188 4.999 1.00 12.44 C ATOM 1060 CD1 TYR A 77 3.513 9.186 5.754 1.00 13.24 C ATOM 1061 CD2 TYR A 77 1.416 10.169 5.241 1.00 11.43 C ATOM 1062 CE1 TYR A 77 3.733 10.107 6.723 1.00 35.14 C ATOM 1063 CE2 TYR A 77 1.622 11.120 6.226 1.00 25.02 C ATOM 1064 CZ TYR A 77 2.789 11.084 6.965 1.00 30.01 C ATOM 1065 OH TYR A 77 3.004 12.014 7.961 1.00 54.24 O ATOM 0 H TYR A 77 1.611 9.433 1.666 1.00 11.04 H new ATOM 0 HA TYR A 77 4.050 8.681 3.105 1.00 4.23 H new ATOM 0 HB2 TYR A 77 1.144 8.121 3.632 1.00 40.03 H new ATOM 0 HB3 TYR A 77 2.424 7.168 4.355 1.00 40.03 H new ATOM 0 HD1 TYR A 77 4.261 8.429 5.570 1.00 13.24 H new ATOM 0 HD2 TYR A 77 0.508 10.191 4.656 1.00 11.43 H new ATOM 0 HE1 TYR A 77 4.643 10.077 7.303 1.00 35.14 H new ATOM 0 HE2 TYR A 77 0.879 11.881 6.415 1.00 25.02 H new ATOM 0 HH TYR A 77 2.245 12.632 8.001 1.00 54.24 H new ATOM 1075 N ILE A 78 4.222 6.400 2.221 1.00 54.53 N ATOM 1076 CA ILE A 78 4.509 5.202 1.480 1.00 22.43 C ATOM 1077 C ILE A 78 4.511 4.056 2.459 1.00 54.20 C ATOM 1078 O ILE A 78 5.302 4.053 3.397 1.00 12.20 O ATOM 1079 CB ILE A 78 5.904 5.268 0.773 1.00 14.41 C ATOM 1080 CG1 ILE A 78 6.069 6.565 -0.055 1.00 2.14 C ATOM 1081 CG2 ILE A 78 6.085 4.051 -0.135 1.00 63.31 C ATOM 1082 CD1 ILE A 78 5.070 6.731 -1.181 1.00 31.43 C ATOM 0 H ILE A 78 4.854 6.575 3.003 1.00 54.53 H new ATOM 0 HA ILE A 78 3.755 5.077 0.703 1.00 22.43 H new ATOM 0 HB ILE A 78 6.668 5.268 1.550 1.00 14.41 H new ATOM 0 HG12 ILE A 78 5.985 7.420 0.615 1.00 2.14 H new ATOM 0 HG13 ILE A 78 7.075 6.586 -0.474 1.00 2.14 H new ATOM 0 HG21 ILE A 78 7.058 4.103 -0.624 1.00 63.31 H new ATOM 0 HG22 ILE A 78 6.027 3.140 0.461 1.00 63.31 H new ATOM 0 HG23 ILE A 78 5.299 4.041 -0.890 1.00 63.31 H new ATOM 0 HD11 ILE A 78 5.264 7.667 -1.704 1.00 31.43 H new ATOM 0 HD12 ILE A 78 5.166 5.899 -1.879 1.00 31.43 H new ATOM 0 HD13 ILE A 78 4.060 6.746 -0.772 1.00 31.43 H new ATOM 1089 N TYR A 79 3.624 3.121 2.267 1.00 50.32 N ATOM 1090 CA TYR A 79 3.489 2.003 3.173 1.00 25.51 C ATOM 1091 C TYR A 79 4.135 0.748 2.623 1.00 54.32 C ATOM 1092 O TYR A 79 3.929 0.374 1.455 1.00 11.43 O ATOM 1093 CB TYR A 79 2.019 1.730 3.488 1.00 13.12 C ATOM 1094 CG TYR A 79 1.308 2.857 4.196 1.00 65.33 C ATOM 1095 CD1 TYR A 79 1.292 2.916 5.577 1.00 31.23 C ATOM 1096 CD2 TYR A 79 0.646 3.857 3.488 1.00 4.15 C ATOM 1097 CE1 TYR A 79 0.649 3.931 6.240 1.00 22.41 C ATOM 1098 CE2 TYR A 79 -0.002 4.883 4.149 1.00 10.51 C ATOM 1099 CZ TYR A 79 0.004 4.914 5.529 1.00 72.33 C ATOM 1100 OH TYR A 79 -0.639 5.937 6.207 1.00 74.23 O ATOM 0 H TYR A 79 2.973 3.107 1.482 1.00 50.32 H new ATOM 0 HA TYR A 79 4.007 2.277 4.092 1.00 25.51 H new ATOM 0 HB2 TYR A 79 1.495 1.516 2.556 1.00 13.12 H new ATOM 0 HB3 TYR A 79 1.954 0.833 4.104 1.00 13.12 H new ATOM 0 HD1 TYR A 79 1.796 2.148 6.145 1.00 31.23 H new ATOM 0 HD2 TYR A 79 0.639 3.830 2.408 1.00 4.15 H new ATOM 0 HE1 TYR A 79 0.650 3.957 7.320 1.00 22.41 H new ATOM 0 HE2 TYR A 79 -0.510 5.655 3.590 1.00 10.51 H new ATOM 0 HH TYR A 79 -1.609 5.816 6.138 1.00 74.23 H new ATOM 1110 N TYR A 80 4.926 0.125 3.446 1.00 31.04 N ATOM 1111 CA TYR A 80 5.569 -1.119 3.132 1.00 42.43 C ATOM 1112 C TYR A 80 5.129 -2.179 4.101 1.00 53.23 C ATOM 1113 O TYR A 80 5.495 -2.137 5.281 1.00 55.52 O ATOM 1114 CB TYR A 80 7.085 -0.986 3.203 1.00 53.24 C ATOM 1115 CG TYR A 80 7.678 -0.041 2.205 1.00 34.51 C ATOM 1116 CD1 TYR A 80 7.840 1.306 2.493 1.00 70.31 C ATOM 1117 CD2 TYR A 80 8.081 -0.497 0.974 1.00 43.41 C ATOM 1118 CE1 TYR A 80 8.389 2.161 1.569 1.00 15.31 C ATOM 1119 CE2 TYR A 80 8.631 0.343 0.048 1.00 64.40 C ATOM 1120 CZ TYR A 80 8.787 1.669 0.344 1.00 22.35 C ATOM 1121 OH TYR A 80 9.324 2.513 -0.594 1.00 24.10 O ATOM 0 H TYR A 80 5.148 0.476 4.378 1.00 31.04 H new ATOM 0 HA TYR A 80 5.286 -1.396 2.117 1.00 42.43 H new ATOM 0 HB2 TYR A 80 7.360 -0.655 4.204 1.00 53.24 H new ATOM 0 HB3 TYR A 80 7.530 -1.971 3.059 1.00 53.24 H new ATOM 0 HD1 TYR A 80 7.531 1.687 3.455 1.00 70.31 H new ATOM 0 HD2 TYR A 80 7.960 -1.543 0.733 1.00 43.41 H new ATOM 0 HE1 TYR A 80 8.508 3.209 1.800 1.00 15.31 H new ATOM 0 HE2 TYR A 80 8.941 -0.038 -0.914 1.00 64.40 H new ATOM 0 HH TYR A 80 9.552 2.004 -1.400 1.00 24.10 H new ATOM 1131 N LEU A 81 4.333 -3.095 3.628 1.00 62.43 N ATOM 1132 CA LEU A 81 3.881 -4.201 4.439 1.00 22.45 C ATOM 1133 C LEU A 81 5.019 -5.188 4.545 1.00 52.23 C ATOM 1134 O LEU A 81 5.440 -5.752 3.537 1.00 44.20 O ATOM 1135 CB LEU A 81 2.663 -4.872 3.786 1.00 43.21 C ATOM 1136 CG LEU A 81 1.453 -3.971 3.511 1.00 64.43 C ATOM 1137 CD1 LEU A 81 0.392 -4.735 2.753 1.00 41.01 C ATOM 1138 CD2 LEU A 81 0.875 -3.437 4.809 1.00 51.42 C ATOM 0 H LEU A 81 3.977 -3.101 2.672 1.00 62.43 H new ATOM 0 HA LEU A 81 3.586 -3.851 5.428 1.00 22.45 H new ATOM 0 HB2 LEU A 81 2.982 -5.313 2.842 1.00 43.21 H new ATOM 0 HB3 LEU A 81 2.340 -5.692 4.428 1.00 43.21 H new ATOM 0 HG LEU A 81 1.787 -3.129 2.905 1.00 64.43 H new ATOM 0 HD11 LEU A 81 -0.461 -4.083 2.565 1.00 41.01 H new ATOM 0 HD12 LEU A 81 0.801 -5.081 1.804 1.00 41.01 H new ATOM 0 HD13 LEU A 81 0.070 -5.593 3.343 1.00 41.01 H new ATOM 0 HD21 LEU A 81 0.018 -2.800 4.591 1.00 51.42 H new ATOM 0 HD22 LEU A 81 0.558 -4.270 5.436 1.00 51.42 H new ATOM 0 HD23 LEU A 81 1.634 -2.856 5.334 1.00 51.42 H new ATOM 1146 N ILE A 82 5.549 -5.363 5.738 1.00 44.23 N ATOM 1147 CA ILE A 82 6.669 -6.249 5.931 1.00 1.41 C ATOM 1148 C ILE A 82 6.162 -7.655 6.285 1.00 33.31 C ATOM 1149 O ILE A 82 5.565 -7.871 7.354 1.00 1.44 O ATOM 1150 CB ILE A 82 7.623 -5.741 7.044 1.00 13.54 C ATOM 1151 CG1 ILE A 82 8.063 -4.277 6.796 1.00 71.44 C ATOM 1152 CG2 ILE A 82 8.845 -6.635 7.109 1.00 50.53 C ATOM 1153 CD1 ILE A 82 8.850 -4.054 5.514 1.00 41.34 C ATOM 0 H ILE A 82 5.219 -4.902 6.586 1.00 44.23 H new ATOM 0 HA ILE A 82 7.233 -6.280 4.999 1.00 1.41 H new ATOM 0 HB ILE A 82 7.084 -5.773 7.991 1.00 13.54 H new ATOM 0 HG12 ILE A 82 7.175 -3.645 6.775 1.00 71.44 H new ATOM 0 HG13 ILE A 82 8.669 -3.947 7.640 1.00 71.44 H new ATOM 0 HG21 ILE A 82 9.516 -6.278 7.891 1.00 50.53 H new ATOM 0 HG22 ILE A 82 8.537 -7.656 7.333 1.00 50.53 H new ATOM 0 HG23 ILE A 82 9.362 -6.614 6.150 1.00 50.53 H new ATOM 0 HD11 ILE A 82 9.113 -3.000 5.428 1.00 41.34 H new ATOM 0 HD12 ILE A 82 9.759 -4.655 5.536 1.00 41.34 H new ATOM 0 HD13 ILE A 82 8.242 -4.347 4.658 1.00 41.34 H new ATOM 1160 N THR A 83 6.397 -8.581 5.389 1.00 14.24 N ATOM 1161 CA THR A 83 5.925 -9.951 5.522 1.00 2.24 C ATOM 1162 C THR A 83 6.824 -10.835 6.373 1.00 42.52 C ATOM 1163 O THR A 83 6.549 -11.071 7.540 1.00 63.25 O ATOM 1164 CB THR A 83 5.753 -10.576 4.145 1.00 53.12 C ATOM 1165 OG1 THR A 83 6.917 -10.295 3.334 1.00 64.23 O ATOM 1166 CG2 THR A 83 4.525 -10.055 3.483 1.00 42.53 C ATOM 0 H THR A 83 6.927 -8.410 4.534 1.00 14.24 H new ATOM 0 HA THR A 83 4.969 -9.891 6.042 1.00 2.24 H new ATOM 0 HB THR A 83 5.648 -11.655 4.259 1.00 53.12 H new ATOM 0 HG1 THR A 83 7.301 -11.136 3.010 1.00 64.23 H new ATOM 0 HG21 THR A 83 4.419 -10.513 2.500 1.00 42.53 H new ATOM 0 HG22 THR A 83 3.653 -10.296 4.091 1.00 42.53 H new ATOM 0 HG23 THR A 83 4.602 -8.973 3.373 1.00 42.53 H new ATOM 1172 N LYS A 84 7.873 -11.326 5.760 1.00 14.31 N ATOM 1173 CA LYS A 84 8.863 -12.171 6.383 1.00 63.44 C ATOM 1174 C LYS A 84 10.203 -11.713 5.906 1.00 61.24 C ATOM 1175 O LYS A 84 10.263 -10.799 5.127 1.00 52.12 O ATOM 1176 CB LYS A 84 8.636 -13.656 6.057 1.00 72.44 C ATOM 1177 CG LYS A 84 7.363 -14.228 6.655 1.00 11.13 C ATOM 1178 CD LYS A 84 7.245 -15.717 6.399 1.00 73.31 C ATOM 1179 CE LYS A 84 5.995 -16.296 7.047 1.00 22.32 C ATOM 1180 NZ LYS A 84 5.992 -16.113 8.518 1.00 73.11 N ATOM 0 H LYS A 84 8.068 -11.141 4.776 1.00 14.31 H new ATOM 0 HA LYS A 84 8.792 -12.088 7.467 1.00 63.44 H new ATOM 0 HB2 LYS A 84 8.605 -13.780 4.975 1.00 72.44 H new ATOM 0 HB3 LYS A 84 9.487 -14.232 6.420 1.00 72.44 H new ATOM 0 HG2 LYS A 84 7.349 -14.041 7.729 1.00 11.13 H new ATOM 0 HG3 LYS A 84 6.499 -13.716 6.231 1.00 11.13 H new ATOM 0 HD2 LYS A 84 7.219 -15.902 5.325 1.00 73.31 H new ATOM 0 HD3 LYS A 84 8.127 -16.225 6.788 1.00 73.31 H new ATOM 0 HE2 LYS A 84 5.112 -15.819 6.621 1.00 22.32 H new ATOM 0 HE3 LYS A 84 5.926 -17.359 6.814 1.00 22.32 H new ATOM 0 HZ1 LYS A 84 5.556 -16.942 8.970 1.00 73.11 H new ATOM 0 HZ2 LYS A 84 6.970 -16.008 8.857 1.00 73.11 H new ATOM 0 HZ3 LYS A 84 5.448 -15.261 8.761 1.00 73.11 H new ATOM 1194 N LYS A 85 11.264 -12.334 6.338 1.00 40.54 N ATOM 1195 CA LYS A 85 12.588 -11.823 6.020 1.00 14.43 C ATOM 1196 C LYS A 85 12.975 -11.943 4.545 1.00 20.21 C ATOM 1197 O LYS A 85 13.387 -10.955 3.932 1.00 5.51 O ATOM 1198 CB LYS A 85 13.652 -12.431 6.940 1.00 42.43 C ATOM 1199 CG LYS A 85 15.050 -11.847 6.754 1.00 35.04 C ATOM 1200 CD LYS A 85 16.024 -12.329 7.821 1.00 50.23 C ATOM 1201 CE LYS A 85 15.589 -11.867 9.209 1.00 2.12 C ATOM 1202 NZ LYS A 85 16.529 -12.292 10.261 1.00 61.12 N ATOM 0 H LYS A 85 11.251 -13.183 6.904 1.00 40.54 H new ATOM 0 HA LYS A 85 12.540 -10.750 6.208 1.00 14.43 H new ATOM 0 HB2 LYS A 85 13.345 -12.287 7.976 1.00 42.43 H new ATOM 0 HB3 LYS A 85 13.694 -13.506 6.767 1.00 42.43 H new ATOM 0 HG2 LYS A 85 15.428 -12.122 5.769 1.00 35.04 H new ATOM 0 HG3 LYS A 85 14.993 -10.759 6.782 1.00 35.04 H new ATOM 0 HD2 LYS A 85 16.084 -13.417 7.798 1.00 50.23 H new ATOM 0 HD3 LYS A 85 17.023 -11.950 7.604 1.00 50.23 H new ATOM 0 HE2 LYS A 85 15.505 -10.780 9.218 1.00 2.12 H new ATOM 0 HE3 LYS A 85 14.598 -12.265 9.428 1.00 2.12 H new ATOM 0 HZ1 LYS A 85 16.191 -11.955 11.185 1.00 61.12 H new ATOM 0 HZ2 LYS A 85 16.591 -13.330 10.273 1.00 61.12 H new ATOM 0 HZ3 LYS A 85 17.469 -11.891 10.069 1.00 61.12 H new ATOM 1216 N ARG A 86 12.788 -13.105 3.953 1.00 33.01 N ATOM 1217 CA ARG A 86 13.263 -13.317 2.591 1.00 54.12 C ATOM 1218 C ARG A 86 12.206 -13.949 1.722 1.00 14.32 C ATOM 1219 O ARG A 86 11.254 -14.532 2.230 1.00 75.43 O ATOM 1220 CB ARG A 86 14.546 -14.167 2.599 1.00 33.52 C ATOM 1221 CG ARG A 86 15.647 -13.532 3.410 1.00 74.32 C ATOM 1222 CD ARG A 86 16.947 -14.286 3.362 1.00 63.51 C ATOM 1223 NE ARG A 86 17.956 -13.615 4.185 1.00 64.13 N ATOM 1224 CZ ARG A 86 19.120 -14.156 4.560 1.00 72.34 C ATOM 1225 NH1 ARG A 86 19.467 -15.364 4.123 1.00 60.01 N ATOM 1226 NH2 ARG A 86 19.940 -13.482 5.356 1.00 10.01 N ATOM 0 H ARG A 86 12.321 -13.906 4.379 1.00 33.01 H new ATOM 0 HA ARG A 86 13.491 -12.341 2.162 1.00 54.12 H new ATOM 0 HB2 ARG A 86 14.323 -15.154 3.003 1.00 33.52 H new ATOM 0 HB3 ARG A 86 14.889 -14.312 1.575 1.00 33.52 H new ATOM 0 HG2 ARG A 86 15.813 -12.517 3.049 1.00 74.32 H new ATOM 0 HG3 ARG A 86 15.322 -13.452 4.447 1.00 74.32 H new ATOM 0 HD2 ARG A 86 16.797 -15.305 3.718 1.00 63.51 H new ATOM 0 HD3 ARG A 86 17.296 -14.356 2.332 1.00 63.51 H new ATOM 0 HE ARG A 86 17.756 -12.664 4.495 1.00 64.13 H new ATOM 0 HH11 ARG A 86 18.845 -15.879 3.501 1.00 60.01 H new ATOM 0 HH12 ARG A 86 20.355 -15.775 4.410 1.00 60.01 H new ATOM 0 HH21 ARG A 86 19.683 -12.551 5.682 1.00 10.01 H new ATOM 0 HH22 ARG A 86 20.828 -13.895 5.642 1.00 10.01 H new ATOM 1238 N ALA A 87 12.403 -13.858 0.413 1.00 22.34 N ATOM 1239 CA ALA A 87 11.464 -14.372 -0.592 1.00 11.15 C ATOM 1240 C ALA A 87 11.347 -15.891 -0.528 1.00 0.32 C ATOM 1241 O ALA A 87 10.367 -16.470 -0.984 1.00 12.03 O ATOM 1242 CB ALA A 87 11.888 -13.930 -1.987 1.00 42.24 C ATOM 0 H ALA A 87 13.230 -13.420 0.007 1.00 22.34 H new ATOM 0 HA ALA A 87 10.481 -13.956 -0.371 1.00 11.15 H new ATOM 0 HB1 ALA A 87 11.183 -14.318 -2.722 1.00 42.24 H new ATOM 0 HB2 ALA A 87 11.900 -12.841 -2.036 1.00 42.24 H new ATOM 0 HB3 ALA A 87 12.885 -14.314 -2.203 1.00 42.24 H new ATOM 1248 N SER A 88 12.343 -16.528 0.061 1.00 54.12 N ATOM 1249 CA SER A 88 12.347 -17.970 0.218 1.00 41.31 C ATOM 1250 C SER A 88 11.364 -18.392 1.318 1.00 43.35 C ATOM 1251 O SER A 88 11.135 -19.570 1.551 1.00 41.31 O ATOM 1252 CB SER A 88 13.757 -18.426 0.555 1.00 13.41 C ATOM 1253 OG SER A 88 14.659 -17.977 -0.445 1.00 43.04 O ATOM 0 H SER A 88 13.167 -16.063 0.442 1.00 54.12 H new ATOM 0 HA SER A 88 12.028 -18.440 -0.713 1.00 41.31 H new ATOM 0 HB2 SER A 88 14.053 -18.034 1.528 1.00 13.41 H new ATOM 0 HB3 SER A 88 13.790 -19.513 0.626 1.00 13.41 H new ATOM 0 HG SER A 88 15.567 -18.272 -0.223 1.00 43.04 H new ATOM 1259 N HIS A 89 10.801 -17.411 1.988 1.00 11.23 N ATOM 1260 CA HIS A 89 9.816 -17.639 3.013 1.00 15.21 C ATOM 1261 C HIS A 89 8.521 -17.146 2.412 1.00 10.10 C ATOM 1262 O HIS A 89 8.498 -16.039 1.866 1.00 2.15 O ATOM 1263 CB HIS A 89 10.118 -16.780 4.283 1.00 2.42 C ATOM 1264 CG HIS A 89 11.518 -16.887 4.866 1.00 22.11 C ATOM 1265 ND1 HIS A 89 11.907 -16.208 6.005 1.00 74.31 N ATOM 1266 CD2 HIS A 89 12.635 -17.511 4.421 1.00 5.03 C ATOM 1267 CE1 HIS A 89 13.194 -16.401 6.215 1.00 13.20 C ATOM 1268 NE2 HIS A 89 13.654 -17.190 5.272 1.00 71.34 N ATOM 0 H HIS A 89 11.018 -16.426 1.833 1.00 11.23 H new ATOM 0 HA HIS A 89 9.796 -18.686 3.314 1.00 15.21 H new ATOM 0 HB2 HIS A 89 9.931 -15.734 4.038 1.00 2.42 H new ATOM 0 HB3 HIS A 89 9.405 -17.058 5.059 1.00 2.42 H new ATOM 0 HD2 HIS A 89 12.707 -18.147 3.551 1.00 5.03 H new ATOM 0 HE1 HIS A 89 13.772 -15.981 7.025 1.00 13.20 H new ATOM 0 HE2 HIS A 89 14.618 -17.512 5.188 1.00 71.34 H new ATOM 1277 N LYS A 90 7.473 -17.918 2.461 1.00 34.00 N ATOM 1278 CA LYS A 90 6.225 -17.454 1.880 1.00 2.35 C ATOM 1279 C LYS A 90 5.449 -16.665 2.915 1.00 11.51 C ATOM 1280 O LYS A 90 5.456 -17.017 4.092 1.00 31.20 O ATOM 1281 CB LYS A 90 5.369 -18.604 1.321 1.00 40.52 C ATOM 1282 CG LYS A 90 4.891 -19.611 2.351 1.00 52.04 C ATOM 1283 CD LYS A 90 3.992 -20.643 1.707 1.00 13.10 C ATOM 1284 CE LYS A 90 3.521 -21.680 2.710 1.00 4.31 C ATOM 1285 NZ LYS A 90 2.671 -22.706 2.073 1.00 3.31 N ATOM 0 H LYS A 90 7.445 -18.847 2.882 1.00 34.00 H new ATOM 0 HA LYS A 90 6.471 -16.812 1.034 1.00 2.35 H new ATOM 0 HB2 LYS A 90 4.499 -18.179 0.821 1.00 40.52 H new ATOM 0 HB3 LYS A 90 5.947 -19.131 0.562 1.00 40.52 H new ATOM 0 HG2 LYS A 90 5.748 -20.103 2.811 1.00 52.04 H new ATOM 0 HG3 LYS A 90 4.352 -19.097 3.147 1.00 52.04 H new ATOM 0 HD2 LYS A 90 3.129 -20.147 1.263 1.00 13.10 H new ATOM 0 HD3 LYS A 90 4.527 -21.137 0.896 1.00 13.10 H new ATOM 0 HE2 LYS A 90 4.384 -22.158 3.173 1.00 4.31 H new ATOM 0 HE3 LYS A 90 2.963 -21.189 3.507 1.00 4.31 H new ATOM 0 HZ1 LYS A 90 2.367 -23.398 2.788 1.00 3.31 H new ATOM 0 HZ2 LYS A 90 1.835 -22.252 1.653 1.00 3.31 H new ATOM 0 HZ3 LYS A 90 3.212 -23.191 1.329 1.00 3.31 H new ATOM 1299 N PRO A 91 4.800 -15.573 2.514 1.00 3.44 N ATOM 1300 CA PRO A 91 4.042 -14.767 3.438 1.00 71.40 C ATOM 1301 C PRO A 91 2.714 -15.414 3.777 1.00 22.25 C ATOM 1302 O PRO A 91 2.063 -16.016 2.922 1.00 3.13 O ATOM 1303 CB PRO A 91 3.824 -13.465 2.681 1.00 33.51 C ATOM 1304 CG PRO A 91 3.827 -13.854 1.251 1.00 23.31 C ATOM 1305 CD PRO A 91 4.735 -15.048 1.130 1.00 71.00 C ATOM 0 HA PRO A 91 4.556 -14.631 4.390 1.00 71.40 H new ATOM 0 HB2 PRO A 91 2.880 -12.997 2.962 1.00 33.51 H new ATOM 0 HB3 PRO A 91 4.613 -12.745 2.897 1.00 33.51 H new ATOM 0 HG2 PRO A 91 2.820 -14.098 0.914 1.00 23.31 H new ATOM 0 HG3 PRO A 91 4.181 -13.033 0.627 1.00 23.31 H new ATOM 0 HD2 PRO A 91 4.334 -15.789 0.438 1.00 71.00 H new ATOM 0 HD3 PRO A 91 5.721 -14.767 0.760 1.00 71.00 H new ATOM 1313 N THR A 92 2.328 -15.304 5.005 1.00 11.51 N ATOM 1314 CA THR A 92 1.115 -15.827 5.439 1.00 1.55 C ATOM 1315 C THR A 92 0.090 -14.718 5.497 1.00 12.44 C ATOM 1316 O THR A 92 0.452 -13.523 5.563 1.00 63.55 O ATOM 1317 CB THR A 92 1.308 -16.424 6.832 1.00 52.34 C ATOM 1318 OG1 THR A 92 1.912 -15.441 7.694 1.00 73.11 O ATOM 1319 CG2 THR A 92 2.172 -17.673 6.776 1.00 32.51 C ATOM 0 H THR A 92 2.870 -14.837 5.732 1.00 11.51 H new ATOM 0 HA THR A 92 0.770 -16.601 4.753 1.00 1.55 H new ATOM 0 HB THR A 92 0.333 -16.709 7.228 1.00 52.34 H new ATOM 0 HG1 THR A 92 2.035 -15.822 8.589 1.00 73.11 H new ATOM 0 HG21 THR A 92 2.293 -18.077 7.781 1.00 32.51 H new ATOM 0 HG22 THR A 92 1.694 -18.418 6.140 1.00 32.51 H new ATOM 0 HG23 THR A 92 3.150 -17.421 6.366 1.00 32.51 H new ATOM 1325 N TYR A 93 -1.170 -15.085 5.469 1.00 71.12 N ATOM 1326 CA TYR A 93 -2.245 -14.124 5.596 1.00 75.41 C ATOM 1327 C TYR A 93 -2.179 -13.431 6.944 1.00 4.31 C ATOM 1328 O TYR A 93 -2.551 -12.277 7.078 1.00 41.44 O ATOM 1329 CB TYR A 93 -3.606 -14.778 5.362 1.00 54.34 C ATOM 1330 CG TYR A 93 -3.819 -15.205 3.929 1.00 31.24 C ATOM 1331 CD1 TYR A 93 -4.212 -14.278 2.979 1.00 51.42 C ATOM 1332 CD2 TYR A 93 -3.634 -16.520 3.523 1.00 5.12 C ATOM 1333 CE1 TYR A 93 -4.416 -14.637 1.672 1.00 61.15 C ATOM 1334 CE2 TYR A 93 -3.838 -16.890 2.206 1.00 24.23 C ATOM 1335 CZ TYR A 93 -4.229 -15.940 1.288 1.00 2.04 C ATOM 1336 OH TYR A 93 -4.436 -16.292 -0.024 1.00 4.45 O ATOM 0 H TYR A 93 -1.479 -16.051 5.358 1.00 71.12 H new ATOM 0 HA TYR A 93 -2.120 -13.366 4.823 1.00 75.41 H new ATOM 0 HB2 TYR A 93 -3.701 -15.648 6.012 1.00 54.34 H new ATOM 0 HB3 TYR A 93 -4.392 -14.079 5.647 1.00 54.34 H new ATOM 0 HD1 TYR A 93 -4.361 -13.250 3.274 1.00 51.42 H new ATOM 0 HD2 TYR A 93 -3.327 -17.263 4.244 1.00 5.12 H new ATOM 0 HE1 TYR A 93 -4.723 -13.897 0.948 1.00 61.15 H new ATOM 0 HE2 TYR A 93 -3.692 -17.915 1.900 1.00 24.23 H new ATOM 0 HH TYR A 93 -4.130 -17.212 -0.168 1.00 4.45 H new ATOM 1346 N GLU A 94 -1.685 -14.157 7.921 1.00 23.45 N ATOM 1347 CA GLU A 94 -1.486 -13.663 9.270 1.00 53.02 C ATOM 1348 C GLU A 94 -0.562 -12.435 9.254 1.00 32.31 C ATOM 1349 O GLU A 94 -0.889 -11.379 9.825 1.00 42.12 O ATOM 1350 CB GLU A 94 -0.878 -14.765 10.170 1.00 22.30 C ATOM 1351 CG GLU A 94 -1.730 -16.040 10.347 1.00 31.31 C ATOM 1352 CD GLU A 94 -1.962 -16.828 9.062 1.00 3.25 C ATOM 1353 OE1 GLU A 94 -1.076 -17.592 8.653 1.00 4.14 O ATOM 1354 OE2 GLU A 94 -3.031 -16.672 8.435 1.00 74.31 O ATOM 0 H GLU A 94 -1.403 -15.130 7.800 1.00 23.45 H new ATOM 0 HA GLU A 94 -2.456 -13.376 9.676 1.00 53.02 H new ATOM 0 HB2 GLU A 94 0.089 -15.052 9.756 1.00 22.30 H new ATOM 0 HB3 GLU A 94 -0.689 -14.339 11.155 1.00 22.30 H new ATOM 0 HG2 GLU A 94 -1.242 -16.690 11.074 1.00 31.31 H new ATOM 0 HG3 GLU A 94 -2.696 -15.761 10.767 1.00 31.31 H new ATOM 1361 N ASN A 95 0.585 -12.569 8.571 1.00 20.32 N ATOM 1362 CA ASN A 95 1.551 -11.465 8.460 1.00 24.13 C ATOM 1363 C ASN A 95 0.969 -10.319 7.664 1.00 55.41 C ATOM 1364 O ASN A 95 1.236 -9.147 7.953 1.00 11.15 O ATOM 1365 CB ASN A 95 2.872 -11.907 7.801 1.00 74.03 C ATOM 1366 CG ASN A 95 3.686 -12.915 8.603 1.00 4.12 C ATOM 1367 OD1 ASN A 95 4.393 -13.735 8.031 1.00 22.04 O ATOM 1368 ND2 ASN A 95 3.612 -12.859 9.914 1.00 52.03 N ATOM 0 H ASN A 95 0.865 -13.424 8.090 1.00 20.32 H new ATOM 0 HA ASN A 95 1.765 -11.141 9.479 1.00 24.13 H new ATOM 0 HB2 ASN A 95 2.647 -12.338 6.825 1.00 74.03 H new ATOM 0 HB3 ASN A 95 3.486 -11.024 7.626 1.00 74.03 H new ATOM 0 HD21 ASN A 95 4.153 -13.510 10.484 1.00 52.03 H new ATOM 0 HD22 ASN A 95 3.014 -12.165 10.362 1.00 52.03 H new ATOM 1374 N LEU A 96 0.167 -10.652 6.669 1.00 51.31 N ATOM 1375 CA LEU A 96 -0.440 -9.654 5.823 1.00 44.33 C ATOM 1376 C LEU A 96 -1.464 -8.848 6.605 1.00 51.50 C ATOM 1377 O LEU A 96 -1.475 -7.627 6.545 1.00 3.43 O ATOM 1378 CB LEU A 96 -1.090 -10.299 4.603 1.00 2.31 C ATOM 1379 CG LEU A 96 -1.751 -9.340 3.616 1.00 33.10 C ATOM 1380 CD1 LEU A 96 -0.729 -8.378 3.022 1.00 14.34 C ATOM 1381 CD2 LEU A 96 -2.463 -10.108 2.528 1.00 64.14 C ATOM 0 H LEU A 96 -0.077 -11.613 6.430 1.00 51.31 H new ATOM 0 HA LEU A 96 0.343 -8.980 5.476 1.00 44.33 H new ATOM 0 HB2 LEU A 96 -0.331 -10.872 4.071 1.00 2.31 H new ATOM 0 HB3 LEU A 96 -1.841 -11.009 4.948 1.00 2.31 H new ATOM 0 HG LEU A 96 -2.490 -8.749 4.158 1.00 33.10 H new ATOM 0 HD11 LEU A 96 -1.226 -7.706 2.322 1.00 14.34 H new ATOM 0 HD12 LEU A 96 -0.270 -7.796 3.821 1.00 14.34 H new ATOM 0 HD13 LEU A 96 0.041 -8.944 2.497 1.00 14.34 H new ATOM 0 HD21 LEU A 96 -2.928 -9.408 1.834 1.00 64.14 H new ATOM 0 HD22 LEU A 96 -1.745 -10.729 1.991 1.00 64.14 H new ATOM 0 HD23 LEU A 96 -3.230 -10.742 2.973 1.00 64.14 H new ATOM 1389 N GLN A 97 -2.300 -9.539 7.356 1.00 44.24 N ATOM 1390 CA GLN A 97 -3.322 -8.897 8.148 1.00 34.12 C ATOM 1391 C GLN A 97 -2.707 -7.906 9.115 1.00 0.44 C ATOM 1392 O GLN A 97 -3.129 -6.766 9.192 1.00 32.12 O ATOM 1393 CB GLN A 97 -4.130 -9.926 8.933 1.00 73.01 C ATOM 1394 CG GLN A 97 -5.208 -9.320 9.770 1.00 51.12 C ATOM 1395 CD GLN A 97 -5.968 -10.350 10.529 1.00 24.43 C ATOM 1396 OE1 GLN A 97 -6.117 -11.493 10.085 1.00 11.12 O ATOM 1397 NE2 GLN A 97 -6.429 -9.990 11.669 1.00 3.42 N ATOM 0 H GLN A 97 -2.287 -10.556 7.432 1.00 44.24 H new ATOM 0 HA GLN A 97 -3.985 -8.369 7.462 1.00 34.12 H new ATOM 0 HB2 GLN A 97 -4.577 -10.635 8.236 1.00 73.01 H new ATOM 0 HB3 GLN A 97 -3.456 -10.493 9.576 1.00 73.01 H new ATOM 0 HG2 GLN A 97 -4.768 -8.607 10.467 1.00 51.12 H new ATOM 0 HG3 GLN A 97 -5.892 -8.761 9.131 1.00 51.12 H new ATOM 0 HE21 GLN A 97 -6.284 -9.036 11.999 1.00 3.42 H new ATOM 0 HE22 GLN A 97 -6.941 -10.657 12.246 1.00 3.42 H new ATOM 1405 N LYS A 98 -1.681 -8.339 9.819 1.00 3.13 N ATOM 1406 CA LYS A 98 -1.066 -7.509 10.833 1.00 73.25 C ATOM 1407 C LYS A 98 -0.317 -6.325 10.262 1.00 22.24 C ATOM 1408 O LYS A 98 -0.165 -5.301 10.936 1.00 43.15 O ATOM 1409 CB LYS A 98 -0.225 -8.332 11.802 1.00 2.01 C ATOM 1410 CG LYS A 98 -1.050 -9.376 12.545 1.00 13.23 C ATOM 1411 CD LYS A 98 -2.214 -8.716 13.274 1.00 31.00 C ATOM 1412 CE LYS A 98 -3.129 -9.714 13.942 1.00 75.32 C ATOM 1413 NZ LYS A 98 -4.272 -9.025 14.580 1.00 31.41 N ATOM 0 H LYS A 98 -1.256 -9.260 9.707 1.00 3.13 H new ATOM 0 HA LYS A 98 -1.881 -7.076 11.413 1.00 73.25 H new ATOM 0 HB2 LYS A 98 0.575 -8.829 11.253 1.00 2.01 H new ATOM 0 HB3 LYS A 98 0.249 -7.666 12.524 1.00 2.01 H new ATOM 0 HG2 LYS A 98 -1.428 -10.118 11.841 1.00 13.23 H new ATOM 0 HG3 LYS A 98 -0.419 -9.906 13.259 1.00 13.23 H new ATOM 0 HD2 LYS A 98 -1.824 -8.029 14.025 1.00 31.00 H new ATOM 0 HD3 LYS A 98 -2.789 -8.120 12.565 1.00 31.00 H new ATOM 0 HE2 LYS A 98 -3.494 -10.431 13.206 1.00 75.32 H new ATOM 0 HE3 LYS A 98 -2.574 -10.280 14.690 1.00 75.32 H new ATOM 0 HZ1 LYS A 98 -4.997 -9.724 14.840 1.00 31.41 H new ATOM 0 HZ2 LYS A 98 -3.946 -8.530 15.435 1.00 31.41 H new ATOM 0 HZ3 LYS A 98 -4.677 -8.336 13.915 1.00 31.41 H new ATOM 1427 N SER A 99 0.127 -6.436 9.042 1.00 13.52 N ATOM 1428 CA SER A 99 0.749 -5.325 8.406 1.00 30.42 C ATOM 1429 C SER A 99 -0.333 -4.345 7.887 1.00 4.44 C ATOM 1430 O SER A 99 -0.180 -3.119 7.995 1.00 14.35 O ATOM 1431 CB SER A 99 1.753 -5.795 7.334 1.00 72.01 C ATOM 1432 OG SER A 99 1.180 -6.739 6.464 1.00 22.21 O ATOM 0 H SER A 99 0.067 -7.282 8.476 1.00 13.52 H new ATOM 0 HA SER A 99 1.347 -4.766 9.126 1.00 30.42 H new ATOM 0 HB2 SER A 99 2.102 -4.936 6.761 1.00 72.01 H new ATOM 0 HB3 SER A 99 2.627 -6.230 7.819 1.00 72.01 H new ATOM 0 HG SER A 99 1.188 -7.622 6.889 1.00 22.21 H new ATOM 1438 N LEU A 100 -1.449 -4.897 7.376 1.00 61.34 N ATOM 1439 CA LEU A 100 -2.601 -4.084 6.937 1.00 1.04 C ATOM 1440 C LEU A 100 -3.190 -3.332 8.124 1.00 22.25 C ATOM 1441 O LEU A 100 -3.513 -2.134 8.038 1.00 30.55 O ATOM 1442 CB LEU A 100 -3.703 -4.964 6.319 1.00 11.32 C ATOM 1443 CG LEU A 100 -3.360 -5.741 5.045 1.00 14.33 C ATOM 1444 CD1 LEU A 100 -4.537 -6.587 4.623 1.00 55.24 C ATOM 1445 CD2 LEU A 100 -2.974 -4.800 3.926 1.00 63.33 C ATOM 0 H LEU A 100 -1.578 -5.902 7.257 1.00 61.34 H new ATOM 0 HA LEU A 100 -2.242 -3.383 6.184 1.00 1.04 H new ATOM 0 HB2 LEU A 100 -4.022 -5.682 7.074 1.00 11.32 H new ATOM 0 HB3 LEU A 100 -4.560 -4.326 6.103 1.00 11.32 H new ATOM 0 HG LEU A 100 -2.509 -6.388 5.258 1.00 14.33 H new ATOM 0 HD11 LEU A 100 -4.284 -7.136 3.716 1.00 55.24 H new ATOM 0 HD12 LEU A 100 -4.782 -7.292 5.417 1.00 55.24 H new ATOM 0 HD13 LEU A 100 -5.396 -5.945 4.430 1.00 55.24 H new ATOM 0 HD21 LEU A 100 -2.735 -5.376 3.032 1.00 63.33 H new ATOM 0 HD22 LEU A 100 -3.805 -4.128 3.713 1.00 63.33 H new ATOM 0 HD23 LEU A 100 -2.103 -4.217 4.225 1.00 63.33 H new ATOM 1453 N GLU A 101 -3.311 -4.040 9.235 1.00 12.24 N ATOM 1454 CA GLU A 101 -3.853 -3.477 10.469 1.00 2.30 C ATOM 1455 C GLU A 101 -2.951 -2.385 11.022 1.00 30.14 C ATOM 1456 O GLU A 101 -3.409 -1.461 11.701 1.00 65.11 O ATOM 1457 CB GLU A 101 -4.165 -4.542 11.544 1.00 63.43 C ATOM 1458 CG GLU A 101 -5.259 -5.535 11.157 1.00 62.40 C ATOM 1459 CD GLU A 101 -5.717 -6.397 12.320 1.00 64.21 C ATOM 1460 OE1 GLU A 101 -6.630 -5.956 13.065 1.00 12.24 O ATOM 1461 OE2 GLU A 101 -5.201 -7.518 12.512 1.00 64.34 O ATOM 0 H GLU A 101 -3.038 -5.020 9.311 1.00 12.24 H new ATOM 0 HA GLU A 101 -4.810 -3.030 10.200 1.00 2.30 H new ATOM 0 HB2 GLU A 101 -3.252 -5.095 11.764 1.00 63.43 H new ATOM 0 HB3 GLU A 101 -4.461 -4.036 12.463 1.00 63.43 H new ATOM 0 HG2 GLU A 101 -6.114 -4.988 10.759 1.00 62.40 H new ATOM 0 HG3 GLU A 101 -4.892 -6.179 10.358 1.00 62.40 H new ATOM 1468 N ALA A 102 -1.680 -2.492 10.745 1.00 72.33 N ATOM 1469 CA ALA A 102 -0.745 -1.486 11.165 1.00 1.44 C ATOM 1470 C ALA A 102 -0.901 -0.216 10.309 1.00 63.13 C ATOM 1471 O ALA A 102 -0.745 0.905 10.810 1.00 15.42 O ATOM 1472 CB ALA A 102 0.675 -2.022 11.118 1.00 10.35 C ATOM 0 H ALA A 102 -1.268 -3.269 10.228 1.00 72.33 H new ATOM 0 HA ALA A 102 -0.960 -1.217 12.199 1.00 1.44 H new ATOM 0 HB1 ALA A 102 1.368 -1.245 11.440 1.00 10.35 H new ATOM 0 HB2 ALA A 102 0.761 -2.882 11.782 1.00 10.35 H new ATOM 0 HB3 ALA A 102 0.916 -2.324 10.099 1.00 10.35 H new ATOM 1478 N MET A 103 -1.248 -0.393 9.017 1.00 45.31 N ATOM 1479 CA MET A 103 -1.452 0.756 8.124 1.00 10.24 C ATOM 1480 C MET A 103 -2.615 1.590 8.564 1.00 64.21 C ATOM 1481 O MET A 103 -2.504 2.812 8.638 1.00 60.54 O ATOM 1482 CB MET A 103 -1.672 0.381 6.649 1.00 25.11 C ATOM 1483 CG MET A 103 -0.512 -0.293 5.971 1.00 35.22 C ATOM 1484 SD MET A 103 -0.721 -0.400 4.173 1.00 41.42 S ATOM 1485 CE MET A 103 -2.275 -1.267 4.025 1.00 55.50 C ATOM 0 H MET A 103 -1.389 -1.304 8.580 1.00 45.31 H new ATOM 0 HA MET A 103 -0.519 1.316 8.193 1.00 10.24 H new ATOM 0 HB2 MET A 103 -2.539 -0.276 6.585 1.00 25.11 H new ATOM 0 HB3 MET A 103 -1.917 1.287 6.095 1.00 25.11 H new ATOM 0 HG2 MET A 103 0.403 0.255 6.195 1.00 35.22 H new ATOM 0 HG3 MET A 103 -0.390 -1.296 6.379 1.00 35.22 H new ATOM 0 HE1 MET A 103 -2.176 -2.069 3.293 1.00 55.50 H new ATOM 0 HE2 MET A 103 -2.549 -1.690 4.991 1.00 55.50 H new ATOM 0 HE3 MET A 103 -3.050 -0.572 3.700 1.00 55.50 H new ATOM 1495 N LYS A 104 -3.741 0.935 8.854 1.00 31.43 N ATOM 1496 CA LYS A 104 -4.953 1.642 9.244 1.00 32.35 C ATOM 1497 C LYS A 104 -4.732 2.517 10.458 1.00 70.33 C ATOM 1498 O LYS A 104 -5.165 3.657 10.482 1.00 12.31 O ATOM 1499 CB LYS A 104 -6.121 0.698 9.472 1.00 20.32 C ATOM 1500 CG LYS A 104 -5.941 -0.283 10.602 1.00 22.43 C ATOM 1501 CD LYS A 104 -7.207 -1.048 10.874 1.00 63.51 C ATOM 1502 CE LYS A 104 -8.333 -0.091 11.132 1.00 72.34 C ATOM 1503 NZ LYS A 104 -9.559 -0.777 11.584 1.00 52.01 N ATOM 0 H LYS A 104 -3.834 -0.080 8.825 1.00 31.43 H new ATOM 0 HA LYS A 104 -5.209 2.289 8.405 1.00 32.35 H new ATOM 0 HB2 LYS A 104 -7.015 1.291 9.666 1.00 20.32 H new ATOM 0 HB3 LYS A 104 -6.302 0.140 8.553 1.00 20.32 H new ATOM 0 HG2 LYS A 104 -5.139 -0.979 10.356 1.00 22.43 H new ATOM 0 HG3 LYS A 104 -5.636 0.250 11.503 1.00 22.43 H new ATOM 0 HD2 LYS A 104 -7.447 -1.686 10.023 1.00 63.51 H new ATOM 0 HD3 LYS A 104 -7.069 -1.703 11.735 1.00 63.51 H new ATOM 0 HE2 LYS A 104 -8.026 0.633 11.886 1.00 72.34 H new ATOM 0 HE3 LYS A 104 -8.547 0.469 10.221 1.00 72.34 H new ATOM 0 HZ1 LYS A 104 -10.257 -0.071 11.894 1.00 52.01 H new ATOM 0 HZ2 LYS A 104 -9.954 -1.334 10.800 1.00 52.01 H new ATOM 0 HZ3 LYS A 104 -9.330 -1.410 12.377 1.00 52.01 H new ATOM 1517 N SER A 105 -4.037 1.987 11.446 1.00 74.31 N ATOM 1518 CA SER A 105 -3.741 2.735 12.648 1.00 34.44 C ATOM 1519 C SER A 105 -2.932 4.002 12.307 1.00 33.03 C ATOM 1520 O SER A 105 -3.309 5.100 12.712 1.00 23.33 O ATOM 1521 CB SER A 105 -3.008 1.852 13.671 1.00 22.22 C ATOM 1522 OG SER A 105 -2.780 2.544 14.896 1.00 50.15 O ATOM 0 H SER A 105 -3.666 1.037 11.437 1.00 74.31 H new ATOM 0 HA SER A 105 -4.679 3.052 13.103 1.00 34.44 H new ATOM 0 HB2 SER A 105 -3.595 0.954 13.864 1.00 22.22 H new ATOM 0 HB3 SER A 105 -2.055 1.526 13.254 1.00 22.22 H new ATOM 0 HG SER A 105 -2.314 1.953 15.524 1.00 50.15 H new ATOM 1528 N HIS A 106 -1.858 3.848 11.517 1.00 34.23 N ATOM 1529 CA HIS A 106 -1.030 4.993 11.100 1.00 53.14 C ATOM 1530 C HIS A 106 -1.863 6.018 10.330 1.00 2.30 C ATOM 1531 O HIS A 106 -1.690 7.239 10.502 1.00 23.31 O ATOM 1532 CB HIS A 106 0.170 4.539 10.232 1.00 32.43 C ATOM 1533 CG HIS A 106 1.006 5.690 9.715 1.00 12.31 C ATOM 1534 ND1 HIS A 106 0.722 6.346 8.528 1.00 61.55 N ATOM 1535 CD2 HIS A 106 2.076 6.328 10.237 1.00 31.00 C ATOM 1536 CE1 HIS A 106 1.559 7.328 8.356 1.00 64.33 C ATOM 1537 NE2 HIS A 106 2.396 7.345 9.371 1.00 74.34 N ATOM 0 H HIS A 106 -1.543 2.948 11.155 1.00 34.23 H new ATOM 0 HA HIS A 106 -0.644 5.458 12.007 1.00 53.14 H new ATOM 0 HB2 HIS A 106 0.803 3.875 10.820 1.00 32.43 H new ATOM 0 HB3 HIS A 106 -0.201 3.960 9.386 1.00 32.43 H new ATOM 0 HD1 HIS A 106 -0.030 6.097 7.885 1.00 61.55 H new ATOM 0 HD2 HIS A 106 2.583 6.085 11.159 1.00 31.00 H new ATOM 0 HE1 HIS A 106 1.565 8.013 7.521 1.00 64.33 H new ATOM 1546 N CYS A 107 -2.738 5.528 9.480 1.00 64.43 N ATOM 1547 CA CYS A 107 -3.589 6.381 8.693 1.00 13.35 C ATOM 1548 C CYS A 107 -4.504 7.199 9.592 1.00 4.33 C ATOM 1549 O CYS A 107 -4.554 8.415 9.472 1.00 72.22 O ATOM 1550 CB CYS A 107 -4.395 5.564 7.689 1.00 2.15 C ATOM 1551 SG CYS A 107 -3.391 4.646 6.506 1.00 31.43 S ATOM 0 H CYS A 107 -2.877 4.531 9.318 1.00 64.43 H new ATOM 0 HA CYS A 107 -2.959 7.072 8.133 1.00 13.35 H new ATOM 0 HB2 CYS A 107 -5.027 4.862 8.233 1.00 2.15 H new ATOM 0 HB3 CYS A 107 -5.059 6.234 7.142 1.00 2.15 H new ATOM 0 HG CYS A 107 -2.803 3.657 7.111 1.00 31.43 H new ATOM 1557 N LEU A 108 -5.168 6.529 10.524 1.00 71.43 N ATOM 1558 CA LEU A 108 -6.098 7.183 11.449 1.00 13.51 C ATOM 1559 C LEU A 108 -5.395 8.227 12.313 1.00 24.24 C ATOM 1560 O LEU A 108 -5.961 9.279 12.598 1.00 32.42 O ATOM 1561 CB LEU A 108 -6.794 6.152 12.341 1.00 34.20 C ATOM 1562 CG LEU A 108 -7.620 5.081 11.621 1.00 32.10 C ATOM 1563 CD1 LEU A 108 -8.217 4.113 12.621 1.00 51.44 C ATOM 1564 CD2 LEU A 108 -8.715 5.712 10.774 1.00 51.22 C ATOM 0 H LEU A 108 -5.082 5.522 10.664 1.00 71.43 H new ATOM 0 HA LEU A 108 -6.847 7.693 10.843 1.00 13.51 H new ATOM 0 HB2 LEU A 108 -6.035 5.652 12.943 1.00 34.20 H new ATOM 0 HB3 LEU A 108 -7.449 6.683 13.031 1.00 34.20 H new ATOM 0 HG LEU A 108 -6.954 4.531 10.956 1.00 32.10 H new ATOM 0 HD11 LEU A 108 -8.801 3.359 12.093 1.00 51.44 H new ATOM 0 HD12 LEU A 108 -7.417 3.627 13.180 1.00 51.44 H new ATOM 0 HD13 LEU A 108 -8.864 4.655 13.311 1.00 51.44 H new ATOM 0 HD21 LEU A 108 -9.285 4.929 10.274 1.00 51.22 H new ATOM 0 HD22 LEU A 108 -9.380 6.294 11.413 1.00 51.22 H new ATOM 0 HD23 LEU A 108 -8.266 6.366 10.027 1.00 51.22 H new ATOM 1572 N LYS A 109 -4.156 7.926 12.719 1.00 42.24 N ATOM 1573 CA LYS A 109 -3.356 8.852 13.537 1.00 43.35 C ATOM 1574 C LYS A 109 -3.102 10.157 12.801 1.00 63.23 C ATOM 1575 O LYS A 109 -3.158 11.237 13.381 1.00 12.22 O ATOM 1576 CB LYS A 109 -1.990 8.248 13.879 1.00 52.34 C ATOM 1577 CG LYS A 109 -2.009 6.972 14.683 1.00 40.42 C ATOM 1578 CD LYS A 109 -2.666 7.149 16.035 1.00 0.45 C ATOM 1579 CE LYS A 109 -2.568 5.874 16.846 1.00 3.13 C ATOM 1580 NZ LYS A 109 -1.157 5.498 17.108 1.00 12.25 N ATOM 0 H LYS A 109 -3.684 7.050 12.496 1.00 42.24 H new ATOM 0 HA LYS A 109 -3.929 9.035 14.446 1.00 43.35 H new ATOM 0 HB2 LYS A 109 -1.456 8.058 12.948 1.00 52.34 H new ATOM 0 HB3 LYS A 109 -1.415 8.992 14.430 1.00 52.34 H new ATOM 0 HG2 LYS A 109 -2.539 6.201 14.123 1.00 40.42 H new ATOM 0 HG3 LYS A 109 -0.987 6.619 14.822 1.00 40.42 H new ATOM 0 HD2 LYS A 109 -2.187 7.967 16.574 1.00 0.45 H new ATOM 0 HD3 LYS A 109 -3.713 7.423 15.904 1.00 0.45 H new ATOM 0 HE2 LYS A 109 -3.092 6.004 17.793 1.00 3.13 H new ATOM 0 HE3 LYS A 109 -3.068 5.065 16.314 1.00 3.13 H new ATOM 0 HZ1 LYS A 109 -1.047 5.239 18.109 1.00 12.25 H new ATOM 0 HZ2 LYS A 109 -0.897 4.687 16.510 1.00 12.25 H new ATOM 0 HZ3 LYS A 109 -0.537 6.303 16.888 1.00 12.25 H new ATOM 1594 N ASN A 110 -2.811 10.048 11.534 1.00 21.25 N ATOM 1595 CA ASN A 110 -2.442 11.213 10.740 1.00 74.32 C ATOM 1596 C ASN A 110 -3.612 11.827 9.999 1.00 15.53 C ATOM 1597 O ASN A 110 -3.527 12.962 9.536 1.00 24.41 O ATOM 1598 CB ASN A 110 -1.299 10.874 9.776 1.00 44.11 C ATOM 1599 CG ASN A 110 0.006 10.583 10.492 1.00 41.23 C ATOM 1600 OD1 ASN A 110 0.814 11.480 10.725 1.00 64.34 O ATOM 1601 ND2 ASN A 110 0.219 9.340 10.854 1.00 31.21 N ATOM 0 H ASN A 110 -2.819 9.168 11.018 1.00 21.25 H new ATOM 0 HA ASN A 110 -2.098 11.970 11.445 1.00 74.32 H new ATOM 0 HB2 ASN A 110 -1.580 10.008 9.176 1.00 44.11 H new ATOM 0 HB3 ASN A 110 -1.152 11.705 9.087 1.00 44.11 H new ATOM 0 HD21 ASN A 110 1.078 9.092 11.346 1.00 31.21 H new ATOM 0 HD22 ASN A 110 -0.474 8.622 10.644 1.00 31.21 H new ATOM 1607 N GLY A 111 -4.696 11.107 9.896 1.00 45.04 N ATOM 1608 CA GLY A 111 -5.845 11.614 9.179 1.00 23.24 C ATOM 1609 C GLY A 111 -5.764 11.281 7.706 1.00 44.12 C ATOM 1610 O GLY A 111 -6.393 11.936 6.867 1.00 62.53 O ATOM 0 H GLY A 111 -4.813 10.175 10.294 1.00 45.04 H new ATOM 0 HA2 GLY A 111 -6.756 11.189 9.601 1.00 23.24 H new ATOM 0 HA3 GLY A 111 -5.908 12.695 9.307 1.00 23.24 H new ATOM 1614 N VAL A 112 -4.987 10.258 7.400 1.00 74.34 N ATOM 1615 CA VAL A 112 -4.789 9.812 6.036 1.00 24.12 C ATOM 1616 C VAL A 112 -5.902 8.842 5.670 1.00 15.33 C ATOM 1617 O VAL A 112 -5.939 7.720 6.152 1.00 15.14 O ATOM 1618 CB VAL A 112 -3.389 9.126 5.844 1.00 41.40 C ATOM 1619 CG1 VAL A 112 -3.202 8.650 4.410 1.00 40.45 C ATOM 1620 CG2 VAL A 112 -2.272 10.091 6.223 1.00 13.14 C ATOM 0 H VAL A 112 -4.475 9.713 8.093 1.00 74.34 H new ATOM 0 HA VAL A 112 -4.815 10.682 5.379 1.00 24.12 H new ATOM 0 HB VAL A 112 -3.348 8.256 6.500 1.00 41.40 H new ATOM 0 HG11 VAL A 112 -2.224 8.179 4.307 1.00 40.45 H new ATOM 0 HG12 VAL A 112 -3.980 7.928 4.162 1.00 40.45 H new ATOM 0 HG13 VAL A 112 -3.268 9.501 3.733 1.00 40.45 H new ATOM 0 HG21 VAL A 112 -1.307 9.603 6.085 1.00 13.14 H new ATOM 0 HG22 VAL A 112 -2.325 10.976 5.589 1.00 13.14 H new ATOM 0 HG23 VAL A 112 -2.384 10.385 7.266 1.00 13.14 H new ATOM 1626 N THR A 113 -6.814 9.289 4.860 1.00 11.23 N ATOM 1627 CA THR A 113 -7.950 8.490 4.486 1.00 3.50 C ATOM 1628 C THR A 113 -7.925 8.102 3.012 1.00 30.13 C ATOM 1629 O THR A 113 -8.884 7.537 2.493 1.00 15.21 O ATOM 1630 CB THR A 113 -9.253 9.216 4.841 1.00 51.11 C ATOM 1631 OG1 THR A 113 -9.198 10.574 4.369 1.00 63.53 O ATOM 1632 CG2 THR A 113 -9.486 9.206 6.342 1.00 21.43 C ATOM 0 H THR A 113 -6.795 10.217 4.438 1.00 11.23 H new ATOM 0 HA THR A 113 -7.898 7.562 5.056 1.00 3.50 H new ATOM 0 HB THR A 113 -10.080 8.694 4.359 1.00 51.11 H new ATOM 0 HG1 THR A 113 -10.033 11.033 4.596 1.00 63.53 H new ATOM 0 HG21 THR A 113 -10.416 9.727 6.569 1.00 21.43 H new ATOM 0 HG22 THR A 113 -9.552 8.176 6.693 1.00 21.43 H new ATOM 0 HG23 THR A 113 -8.658 9.708 6.842 1.00 21.43 H new ATOM 1638 N ASP A 114 -6.833 8.385 2.357 1.00 73.14 N ATOM 1639 CA ASP A 114 -6.679 8.048 0.950 1.00 45.03 C ATOM 1640 C ASP A 114 -5.453 7.207 0.757 1.00 35.34 C ATOM 1641 O ASP A 114 -4.323 7.699 0.878 1.00 12.33 O ATOM 1642 CB ASP A 114 -6.597 9.307 0.082 1.00 33.42 C ATOM 1643 CG ASP A 114 -7.883 10.100 0.061 1.00 50.34 C ATOM 1644 OD1 ASP A 114 -8.118 10.915 0.990 1.00 64.33 O ATOM 1645 OD2 ASP A 114 -8.691 9.925 -0.893 1.00 15.30 O ATOM 0 H ASP A 114 -6.025 8.852 2.770 1.00 73.14 H new ATOM 0 HA ASP A 114 -7.557 7.483 0.638 1.00 45.03 H new ATOM 0 HB2 ASP A 114 -5.792 9.943 0.450 1.00 33.42 H new ATOM 0 HB3 ASP A 114 -6.337 9.022 -0.937 1.00 33.42 H new ATOM 1650 N LEU A 115 -5.651 5.940 0.484 1.00 25.13 N ATOM 1651 CA LEU A 115 -4.540 5.036 0.340 1.00 71.00 C ATOM 1652 C LEU A 115 -4.665 4.321 -1.005 1.00 0.33 C ATOM 1653 O LEU A 115 -5.755 3.853 -1.377 1.00 20.25 O ATOM 1654 CB LEU A 115 -4.537 4.038 1.540 1.00 14.21 C ATOM 1655 CG LEU A 115 -3.231 3.277 1.851 1.00 12.02 C ATOM 1656 CD1 LEU A 115 -3.354 2.556 3.179 1.00 72.34 C ATOM 1657 CD2 LEU A 115 -2.904 2.274 0.778 1.00 20.54 C ATOM 0 H LEU A 115 -6.569 5.514 0.358 1.00 25.13 H new ATOM 0 HA LEU A 115 -3.590 5.571 0.352 1.00 71.00 H new ATOM 0 HB2 LEU A 115 -4.821 4.592 2.435 1.00 14.21 H new ATOM 0 HB3 LEU A 115 -5.318 3.299 1.361 1.00 14.21 H new ATOM 0 HG LEU A 115 -2.427 4.012 1.895 1.00 12.02 H new ATOM 0 HD11 LEU A 115 -2.428 2.022 3.390 1.00 72.34 H new ATOM 0 HD12 LEU A 115 -3.543 3.281 3.971 1.00 72.34 H new ATOM 0 HD13 LEU A 115 -4.180 1.846 3.132 1.00 72.34 H new ATOM 0 HD21 LEU A 115 -1.978 1.758 1.032 1.00 20.54 H new ATOM 0 HD22 LEU A 115 -3.714 1.548 0.699 1.00 20.54 H new ATOM 0 HD23 LEU A 115 -2.783 2.788 -0.176 1.00 20.54 H new ATOM 1665 N SER A 116 -3.589 4.263 -1.724 1.00 41.41 N ATOM 1666 CA SER A 116 -3.541 3.628 -2.990 1.00 13.03 C ATOM 1667 C SER A 116 -2.550 2.496 -3.010 1.00 32.33 C ATOM 1668 O SER A 116 -1.487 2.549 -2.387 1.00 15.13 O ATOM 1669 CB SER A 116 -3.250 4.631 -4.073 1.00 54.45 C ATOM 1670 OG SER A 116 -2.122 5.419 -3.767 1.00 53.32 O ATOM 0 H SER A 116 -2.699 4.669 -1.433 1.00 41.41 H new ATOM 0 HA SER A 116 -4.522 3.193 -3.182 1.00 13.03 H new ATOM 0 HB2 SER A 116 -3.084 4.110 -5.016 1.00 54.45 H new ATOM 0 HB3 SER A 116 -4.117 5.276 -4.213 1.00 54.45 H new ATOM 0 HG SER A 116 -2.248 6.323 -4.124 1.00 53.32 H new ATOM 1676 N MET A 117 -2.907 1.473 -3.695 1.00 72.30 N ATOM 1677 CA MET A 117 -2.096 0.318 -3.815 1.00 22.43 C ATOM 1678 C MET A 117 -2.319 -0.266 -5.190 1.00 31.55 C ATOM 1679 O MET A 117 -3.344 0.003 -5.811 1.00 13.34 O ATOM 1680 CB MET A 117 -2.444 -0.690 -2.697 1.00 74.12 C ATOM 1681 CG MET A 117 -3.900 -1.139 -2.680 1.00 1.13 C ATOM 1682 SD MET A 117 -4.295 -2.210 -1.275 1.00 34.42 S ATOM 1683 CE MET A 117 -3.955 -1.112 0.116 1.00 53.14 C ATOM 0 H MET A 117 -3.791 1.414 -4.200 1.00 72.30 H new ATOM 0 HA MET A 117 -1.041 0.567 -3.701 1.00 22.43 H new ATOM 0 HB2 MET A 117 -1.808 -1.568 -2.806 1.00 74.12 H new ATOM 0 HB3 MET A 117 -2.204 -0.241 -1.733 1.00 74.12 H new ATOM 0 HG2 MET A 117 -4.545 -0.261 -2.652 1.00 1.13 H new ATOM 0 HG3 MET A 117 -4.122 -1.668 -3.607 1.00 1.13 H new ATOM 0 HE1 MET A 117 -4.287 -1.583 1.041 1.00 53.14 H new ATOM 0 HE2 MET A 117 -2.884 -0.917 0.172 1.00 53.14 H new ATOM 0 HE3 MET A 117 -4.488 -0.172 -0.024 1.00 53.14 H new ATOM 1693 N PRO A 118 -1.377 -1.019 -5.716 1.00 62.43 N ATOM 1694 CA PRO A 118 -1.536 -1.632 -7.001 1.00 3.23 C ATOM 1695 C PRO A 118 -2.230 -2.979 -6.860 1.00 44.02 C ATOM 1696 O PRO A 118 -2.783 -3.298 -5.801 1.00 30.23 O ATOM 1697 CB PRO A 118 -0.096 -1.811 -7.490 1.00 72.01 C ATOM 1698 CG PRO A 118 0.762 -1.805 -6.255 1.00 50.32 C ATOM 1699 CD PRO A 118 -0.085 -1.338 -5.103 1.00 0.33 C ATOM 0 HA PRO A 118 -2.146 -1.044 -7.687 1.00 3.23 H new ATOM 0 HB2 PRO A 118 0.017 -2.746 -8.039 1.00 72.01 H new ATOM 0 HB3 PRO A 118 0.189 -1.006 -8.168 1.00 72.01 H new ATOM 0 HG2 PRO A 118 1.155 -2.803 -6.059 1.00 50.32 H new ATOM 0 HG3 PRO A 118 1.619 -1.145 -6.390 1.00 50.32 H new ATOM 0 HD2 PRO A 118 -0.185 -2.112 -4.342 1.00 0.33 H new ATOM 0 HD3 PRO A 118 0.351 -0.466 -4.615 1.00 0.33 H new ATOM 1707 N ARG A 119 -2.216 -3.755 -7.907 1.00 70.14 N ATOM 1708 CA ARG A 119 -2.792 -5.078 -7.863 1.00 21.14 C ATOM 1709 C ARG A 119 -1.874 -6.051 -7.133 1.00 63.44 C ATOM 1710 O ARG A 119 -1.079 -6.775 -7.738 1.00 34.14 O ATOM 1711 CB ARG A 119 -3.165 -5.557 -9.265 1.00 34.25 C ATOM 1712 CG ARG A 119 -4.328 -4.783 -9.869 1.00 50.45 C ATOM 1713 CD ARG A 119 -5.637 -5.162 -9.200 1.00 63.42 C ATOM 1714 NE ARG A 119 -5.941 -6.580 -9.424 1.00 4.13 N ATOM 1715 CZ ARG A 119 -6.943 -7.265 -8.875 1.00 32.20 C ATOM 1716 NH1 ARG A 119 -7.763 -6.681 -8.019 1.00 65.43 N ATOM 1717 NH2 ARG A 119 -7.111 -8.538 -9.188 1.00 2.21 N ATOM 0 H ARG A 119 -1.811 -3.497 -8.807 1.00 70.14 H new ATOM 0 HA ARG A 119 -3.718 -5.035 -7.289 1.00 21.14 H new ATOM 0 HB2 ARG A 119 -2.297 -5.465 -9.917 1.00 34.25 H new ATOM 0 HB3 ARG A 119 -3.422 -6.615 -9.225 1.00 34.25 H new ATOM 0 HG2 ARG A 119 -4.155 -3.713 -9.758 1.00 50.45 H new ATOM 0 HG3 ARG A 119 -4.389 -4.986 -10.938 1.00 50.45 H new ATOM 0 HD2 ARG A 119 -5.576 -4.962 -8.130 1.00 63.42 H new ATOM 0 HD3 ARG A 119 -6.445 -4.545 -9.594 1.00 63.42 H new ATOM 0 HE ARG A 119 -5.327 -7.089 -10.060 1.00 4.13 H new ATOM 0 HH11 ARG A 119 -7.631 -5.700 -7.775 1.00 65.43 H new ATOM 0 HH12 ARG A 119 -8.528 -7.212 -7.603 1.00 65.43 H new ATOM 0 HH21 ARG A 119 -6.476 -8.990 -9.846 1.00 2.21 H new ATOM 0 HH22 ARG A 119 -7.876 -9.069 -8.772 1.00 2.21 H new ATOM 1729 N ILE A 120 -1.925 -5.965 -5.827 1.00 51.44 N ATOM 1730 CA ILE A 120 -1.160 -6.813 -4.946 1.00 64.24 C ATOM 1731 C ILE A 120 -1.999 -8.004 -4.557 1.00 62.53 C ATOM 1732 O ILE A 120 -3.020 -8.273 -5.193 1.00 20.53 O ATOM 1733 CB ILE A 120 -0.710 -6.051 -3.659 1.00 0.01 C ATOM 1734 CG1 ILE A 120 -1.921 -5.451 -2.911 1.00 4.31 C ATOM 1735 CG2 ILE A 120 0.315 -4.975 -4.001 1.00 53.22 C ATOM 1736 CD1 ILE A 120 -1.564 -4.732 -1.623 1.00 13.24 C ATOM 0 H ILE A 120 -2.511 -5.290 -5.336 1.00 51.44 H new ATOM 0 HA ILE A 120 -0.263 -7.134 -5.475 1.00 64.24 H new ATOM 0 HB ILE A 120 -0.236 -6.770 -2.990 1.00 0.01 H new ATOM 0 HG12 ILE A 120 -2.433 -4.753 -3.573 1.00 4.31 H new ATOM 0 HG13 ILE A 120 -2.626 -6.251 -2.684 1.00 4.31 H new ATOM 0 HG21 ILE A 120 0.615 -4.456 -3.091 1.00 53.22 H new ATOM 0 HG22 ILE A 120 1.189 -5.438 -4.460 1.00 53.22 H new ATOM 0 HG23 ILE A 120 -0.125 -4.261 -4.697 1.00 53.22 H new ATOM 0 HD11 ILE A 120 -2.471 -4.341 -1.161 1.00 13.24 H new ATOM 0 HD12 ILE A 120 -1.080 -5.429 -0.939 1.00 13.24 H new ATOM 0 HD13 ILE A 120 -0.884 -3.908 -1.842 1.00 13.24 H new ATOM 1743 N GLY A 121 -1.549 -8.732 -3.562 1.00 2.21 N ATOM 1744 CA GLY A 121 -2.277 -9.865 -3.058 1.00 60.21 C ATOM 1745 C GLY A 121 -2.406 -10.968 -4.074 1.00 1.32 C ATOM 1746 O GLY A 121 -3.366 -11.728 -4.042 1.00 13.44 O ATOM 0 H GLY A 121 -0.667 -8.553 -3.081 1.00 2.21 H new ATOM 0 HA2 GLY A 121 -1.774 -10.250 -2.171 1.00 60.21 H new ATOM 0 HA3 GLY A 121 -3.271 -9.544 -2.747 1.00 60.21 H new ATOM 1750 N CYS A 122 -1.445 -11.064 -4.977 1.00 74.51 N ATOM 1751 CA CYS A 122 -1.510 -12.054 -6.014 1.00 31.24 C ATOM 1752 C CYS A 122 -0.135 -12.461 -6.556 1.00 61.43 C ATOM 1753 O CYS A 122 0.395 -13.512 -6.176 1.00 41.32 O ATOM 1754 CB CYS A 122 -2.458 -11.591 -7.138 1.00 32.25 C ATOM 1755 SG CYS A 122 -2.112 -9.922 -7.766 1.00 14.00 S ATOM 0 H CYS A 122 -0.618 -10.467 -5.005 1.00 74.51 H new ATOM 0 HA CYS A 122 -1.919 -12.959 -5.564 1.00 31.24 H new ATOM 0 HB2 CYS A 122 -2.395 -12.298 -7.965 1.00 32.25 H new ATOM 0 HB3 CYS A 122 -3.483 -11.623 -6.769 1.00 32.25 H new ATOM 0 HG CYS A 122 -2.437 -9.043 -6.865 1.00 14.00 H new ATOM 1761 N GLY A 123 0.445 -11.609 -7.393 1.00 75.35 N ATOM 1762 CA GLY A 123 1.687 -11.914 -8.098 1.00 15.24 C ATOM 1763 C GLY A 123 2.867 -12.232 -7.207 1.00 74.13 C ATOM 1764 O GLY A 123 3.146 -13.399 -6.917 1.00 62.55 O ATOM 0 H GLY A 123 0.068 -10.685 -7.603 1.00 75.35 H new ATOM 0 HA2 GLY A 123 1.512 -12.762 -8.760 1.00 15.24 H new ATOM 0 HA3 GLY A 123 1.947 -11.064 -8.730 1.00 15.24 H new ATOM 1768 N LEU A 124 3.564 -11.206 -6.773 1.00 50.12 N ATOM 1769 CA LEU A 124 4.755 -11.380 -5.938 1.00 60.04 C ATOM 1770 C LEU A 124 4.365 -11.857 -4.558 1.00 50.33 C ATOM 1771 O LEU A 124 5.162 -12.468 -3.841 1.00 3.11 O ATOM 1772 CB LEU A 124 5.561 -10.069 -5.786 1.00 50.14 C ATOM 1773 CG LEU A 124 6.215 -9.440 -7.032 1.00 42.42 C ATOM 1774 CD1 LEU A 124 5.188 -8.927 -8.036 1.00 43.52 C ATOM 1775 CD2 LEU A 124 7.147 -8.325 -6.608 1.00 52.34 C ATOM 0 H LEU A 124 3.334 -10.234 -6.980 1.00 50.12 H new ATOM 0 HA LEU A 124 5.380 -12.119 -6.439 1.00 60.04 H new ATOM 0 HB2 LEU A 124 4.895 -9.323 -5.353 1.00 50.14 H new ATOM 0 HB3 LEU A 124 6.351 -10.252 -5.058 1.00 50.14 H new ATOM 0 HG LEU A 124 6.782 -10.222 -7.538 1.00 42.42 H new ATOM 0 HD11 LEU A 124 5.703 -8.494 -8.894 1.00 43.52 H new ATOM 0 HD12 LEU A 124 4.560 -9.753 -8.369 1.00 43.52 H new ATOM 0 HD13 LEU A 124 4.566 -8.166 -7.564 1.00 43.52 H new ATOM 0 HD21 LEU A 124 7.609 -7.881 -7.490 1.00 52.34 H new ATOM 0 HD22 LEU A 124 6.582 -7.563 -6.072 1.00 52.34 H new ATOM 0 HD23 LEU A 124 7.923 -8.727 -5.956 1.00 52.34 H new ATOM 1783 N ASP A 125 3.143 -11.572 -4.214 1.00 65.11 N ATOM 1784 CA ASP A 125 2.573 -11.831 -2.907 1.00 61.24 C ATOM 1785 C ASP A 125 2.417 -13.311 -2.663 1.00 65.34 C ATOM 1786 O ASP A 125 2.561 -13.761 -1.547 1.00 61.14 O ATOM 1787 CB ASP A 125 1.207 -11.189 -2.831 1.00 74.03 C ATOM 1788 CG ASP A 125 1.209 -9.774 -3.334 1.00 23.54 C ATOM 1789 OD1 ASP A 125 1.093 -9.593 -4.579 1.00 32.21 O ATOM 1790 OD2 ASP A 125 1.294 -8.847 -2.539 1.00 1.34 O ATOM 0 H ASP A 125 2.483 -11.135 -4.857 1.00 65.11 H new ATOM 0 HA ASP A 125 3.244 -11.418 -2.153 1.00 61.24 H new ATOM 0 HB2 ASP A 125 0.499 -11.778 -3.414 1.00 74.03 H new ATOM 0 HB3 ASP A 125 0.859 -11.204 -1.798 1.00 74.03 H new ATOM 1795 N ARG A 126 2.111 -14.066 -3.735 1.00 62.54 N ATOM 1796 CA ARG A 126 1.899 -15.522 -3.663 1.00 73.52 C ATOM 1797 C ARG A 126 0.618 -15.911 -2.930 1.00 61.02 C ATOM 1798 O ARG A 126 0.407 -17.083 -2.583 1.00 64.14 O ATOM 1799 CB ARG A 126 3.111 -16.217 -3.087 1.00 70.25 C ATOM 1800 CG ARG A 126 4.266 -16.109 -4.019 1.00 65.40 C ATOM 1801 CD ARG A 126 5.480 -16.746 -3.480 1.00 73.41 C ATOM 1802 NE ARG A 126 6.036 -15.997 -2.355 1.00 2.54 N ATOM 1803 CZ ARG A 126 7.100 -16.356 -1.634 1.00 55.15 C ATOM 1804 NH1 ARG A 126 7.702 -17.519 -1.844 1.00 51.50 N ATOM 1805 NH2 ARG A 126 7.553 -15.544 -0.702 1.00 23.43 N ATOM 0 H ARG A 126 2.004 -13.683 -4.674 1.00 62.54 H new ATOM 0 HA ARG A 126 1.764 -15.867 -4.688 1.00 73.52 H new ATOM 0 HB2 ARG A 126 3.369 -15.773 -2.126 1.00 70.25 H new ATOM 0 HB3 ARG A 126 2.882 -17.267 -2.902 1.00 70.25 H new ATOM 0 HG2 ARG A 126 4.007 -16.573 -4.971 1.00 65.40 H new ATOM 0 HG3 ARG A 126 4.469 -15.058 -4.222 1.00 65.40 H new ATOM 0 HD2 ARG A 126 5.245 -17.761 -3.160 1.00 73.41 H new ATOM 0 HD3 ARG A 126 6.229 -16.826 -4.268 1.00 73.41 H new ATOM 0 HE ARG A 126 5.571 -15.126 -2.099 1.00 2.54 H new ATOM 0 HH11 ARG A 126 7.353 -18.151 -2.564 1.00 51.50 H new ATOM 0 HH12 ARG A 126 8.514 -17.781 -1.286 1.00 51.50 H new ATOM 0 HH21 ARG A 126 7.091 -14.650 -0.536 1.00 23.43 H new ATOM 0 HH22 ARG A 126 8.366 -15.809 -0.146 1.00 23.43 H new ATOM 1817 N LEU A 127 -0.251 -14.945 -2.749 1.00 52.12 N ATOM 1818 CA LEU A 127 -1.520 -15.143 -2.075 1.00 63.41 C ATOM 1819 C LEU A 127 -2.658 -14.955 -3.079 1.00 24.42 C ATOM 1820 O LEU A 127 -2.415 -14.554 -4.222 1.00 44.40 O ATOM 1821 CB LEU A 127 -1.655 -14.128 -0.925 1.00 14.05 C ATOM 1822 CG LEU A 127 -0.559 -14.174 0.157 1.00 3.13 C ATOM 1823 CD1 LEU A 127 -0.780 -13.094 1.197 1.00 61.45 C ATOM 1824 CD2 LEU A 127 -0.509 -15.539 0.819 1.00 73.01 C ATOM 0 H LEU A 127 -0.099 -13.988 -3.067 1.00 52.12 H new ATOM 0 HA LEU A 127 -1.567 -16.151 -1.664 1.00 63.41 H new ATOM 0 HB2 LEU A 127 -1.671 -13.126 -1.353 1.00 14.05 H new ATOM 0 HB3 LEU A 127 -2.620 -14.284 -0.442 1.00 14.05 H new ATOM 0 HG LEU A 127 0.398 -13.992 -0.331 1.00 3.13 H new ATOM 0 HD11 LEU A 127 0.007 -13.147 1.950 1.00 61.45 H new ATOM 0 HD12 LEU A 127 -0.757 -12.116 0.716 1.00 61.45 H new ATOM 0 HD13 LEU A 127 -1.749 -13.241 1.674 1.00 61.45 H new ATOM 0 HD21 LEU A 127 0.272 -15.546 1.579 1.00 73.01 H new ATOM 0 HD22 LEU A 127 -1.471 -15.753 1.285 1.00 73.01 H new ATOM 0 HD23 LEU A 127 -0.293 -16.300 0.069 1.00 73.01 H new ATOM 1832 N GLN A 128 -3.881 -15.274 -2.679 1.00 63.52 N ATOM 1833 CA GLN A 128 -5.046 -15.074 -3.542 1.00 54.51 C ATOM 1834 C GLN A 128 -5.777 -13.792 -3.181 1.00 31.21 C ATOM 1835 O GLN A 128 -6.110 -13.571 -2.004 1.00 31.53 O ATOM 1836 CB GLN A 128 -6.038 -16.253 -3.499 1.00 43.54 C ATOM 1837 CG GLN A 128 -5.559 -17.563 -4.107 1.00 24.42 C ATOM 1838 CD GLN A 128 -4.413 -18.224 -3.362 1.00 12.43 C ATOM 1839 OE1 GLN A 128 -4.286 -18.100 -2.151 1.00 61.23 O ATOM 1840 NE2 GLN A 128 -3.579 -18.929 -4.076 1.00 25.12 N ATOM 0 H GLN A 128 -4.096 -15.672 -1.765 1.00 63.52 H new ATOM 0 HA GLN A 128 -4.656 -15.005 -4.557 1.00 54.51 H new ATOM 0 HB2 GLN A 128 -6.305 -16.437 -2.458 1.00 43.54 H new ATOM 0 HB3 GLN A 128 -6.950 -15.951 -4.014 1.00 43.54 H new ATOM 0 HG2 GLN A 128 -6.398 -18.258 -4.147 1.00 24.42 H new ATOM 0 HG3 GLN A 128 -5.248 -17.379 -5.135 1.00 24.42 H new ATOM 0 HE21 GLN A 128 -3.714 -19.012 -5.084 1.00 25.12 H new ATOM 0 HE22 GLN A 128 -2.792 -19.397 -3.627 1.00 25.12 H new ATOM 1848 N TRP A 129 -6.068 -12.982 -4.194 1.00 52.01 N ATOM 1849 CA TRP A 129 -6.733 -11.682 -4.022 1.00 41.42 C ATOM 1850 C TRP A 129 -8.108 -11.825 -3.424 1.00 32.51 C ATOM 1851 O TRP A 129 -8.559 -10.940 -2.703 1.00 60.41 O ATOM 1852 CB TRP A 129 -6.764 -10.890 -5.350 1.00 73.20 C ATOM 1853 CG TRP A 129 -7.474 -9.552 -5.285 1.00 31.54 C ATOM 1854 CD1 TRP A 129 -8.732 -9.264 -5.744 1.00 5.42 C ATOM 1855 CD2 TRP A 129 -6.965 -8.334 -4.724 1.00 71.54 C ATOM 1856 NE1 TRP A 129 -9.028 -7.938 -5.512 1.00 12.45 N ATOM 1857 CE2 TRP A 129 -7.959 -7.349 -4.885 1.00 31.21 C ATOM 1858 CE3 TRP A 129 -5.771 -7.981 -4.108 1.00 41.15 C ATOM 1859 CZ2 TRP A 129 -7.784 -6.038 -4.450 1.00 72.25 C ATOM 1860 CZ3 TRP A 129 -5.599 -6.684 -3.674 1.00 25.42 C ATOM 1861 CH2 TRP A 129 -6.598 -5.727 -3.848 1.00 43.30 C ATOM 0 H TRP A 129 -5.850 -13.205 -5.165 1.00 52.01 H new ATOM 0 HA TRP A 129 -6.141 -11.107 -3.310 1.00 41.42 H new ATOM 0 HB2 TRP A 129 -5.738 -10.724 -5.680 1.00 73.20 H new ATOM 0 HB3 TRP A 129 -7.248 -11.504 -6.110 1.00 73.20 H new ATOM 0 HD1 TRP A 129 -9.395 -9.972 -6.218 1.00 5.42 H new ATOM 0 HE1 TRP A 129 -9.899 -7.471 -5.765 1.00 12.45 H new ATOM 0 HE3 TRP A 129 -4.988 -8.713 -3.971 1.00 41.15 H new ATOM 0 HZ2 TRP A 129 -8.557 -5.295 -4.583 1.00 72.25 H new ATOM 0 HZ3 TRP A 129 -4.674 -6.404 -3.191 1.00 25.42 H new ATOM 0 HH2 TRP A 129 -6.431 -4.719 -3.499 1.00 43.30 H new ATOM 1872 N GLU A 130 -8.761 -12.933 -3.699 1.00 40.15 N ATOM 1873 CA GLU A 130 -10.064 -13.210 -3.126 1.00 71.01 C ATOM 1874 C GLU A 130 -9.998 -13.110 -1.593 1.00 55.22 C ATOM 1875 O GLU A 130 -10.871 -12.515 -0.955 1.00 32.24 O ATOM 1876 CB GLU A 130 -10.543 -14.596 -3.557 1.00 74.13 C ATOM 1877 CG GLU A 130 -11.906 -14.970 -3.018 1.00 54.53 C ATOM 1878 CD GLU A 130 -12.362 -16.316 -3.488 1.00 14.40 C ATOM 1879 OE1 GLU A 130 -12.053 -17.331 -2.814 1.00 31.41 O ATOM 1880 OE2 GLU A 130 -13.048 -16.382 -4.521 1.00 43.11 O ATOM 0 H GLU A 130 -8.410 -13.662 -4.320 1.00 40.15 H new ATOM 0 HA GLU A 130 -10.778 -12.471 -3.489 1.00 71.01 H new ATOM 0 HB2 GLU A 130 -10.570 -14.638 -4.646 1.00 74.13 H new ATOM 0 HB3 GLU A 130 -9.817 -15.339 -3.228 1.00 74.13 H new ATOM 0 HG2 GLU A 130 -11.877 -14.961 -1.928 1.00 54.53 H new ATOM 0 HG3 GLU A 130 -12.633 -14.217 -3.324 1.00 54.53 H new ATOM 1887 N ASN A 131 -8.953 -13.671 -1.019 1.00 63.02 N ATOM 1888 CA ASN A 131 -8.762 -13.612 0.428 1.00 61.14 C ATOM 1889 C ASN A 131 -8.275 -12.235 0.836 1.00 62.12 C ATOM 1890 O ASN A 131 -8.805 -11.626 1.761 1.00 2.44 O ATOM 1891 CB ASN A 131 -7.734 -14.636 0.886 1.00 3.15 C ATOM 1892 CG ASN A 131 -8.060 -16.032 0.466 1.00 72.44 C ATOM 1893 OD1 ASN A 131 -7.566 -16.406 -0.686 1.00 52.30 O flip ATOM 1894 ND2 ASN A 131 -8.736 -16.773 1.174 1.00 44.44 N flip ATOM 0 H ASN A 131 -8.222 -14.172 -1.524 1.00 63.02 H new ATOM 0 HA ASN A 131 -9.723 -13.828 0.895 1.00 61.14 H new ATOM 0 HB2 ASN A 131 -6.757 -14.363 0.487 1.00 3.15 H new ATOM 0 HB3 ASN A 131 -7.656 -14.600 1.973 1.00 3.15 H new ATOM 0 HD21 ASN A 131 -9.099 -16.435 2.065 1.00 44.44 H new ATOM 0 HD22 ASN A 131 -8.934 -17.727 0.871 1.00 44.44 H new ATOM 1900 N VAL A 132 -7.269 -11.746 0.114 1.00 2.31 N ATOM 1901 CA VAL A 132 -6.618 -10.468 0.411 1.00 4.42 C ATOM 1902 C VAL A 132 -7.603 -9.301 0.405 1.00 50.43 C ATOM 1903 O VAL A 132 -7.702 -8.570 1.381 1.00 31.10 O ATOM 1904 CB VAL A 132 -5.440 -10.184 -0.566 1.00 71.34 C ATOM 1905 CG1 VAL A 132 -4.788 -8.837 -0.272 1.00 31.11 C ATOM 1906 CG2 VAL A 132 -4.412 -11.299 -0.492 1.00 21.21 C ATOM 0 H VAL A 132 -6.879 -12.226 -0.697 1.00 2.31 H new ATOM 0 HA VAL A 132 -6.216 -10.558 1.420 1.00 4.42 H new ATOM 0 HB VAL A 132 -5.845 -10.145 -1.577 1.00 71.34 H new ATOM 0 HG11 VAL A 132 -3.969 -8.669 -0.972 1.00 31.11 H new ATOM 0 HG12 VAL A 132 -5.527 -8.043 -0.381 1.00 31.11 H new ATOM 0 HG13 VAL A 132 -4.401 -8.835 0.747 1.00 31.11 H new ATOM 0 HG21 VAL A 132 -3.594 -11.086 -1.181 1.00 21.21 H new ATOM 0 HG22 VAL A 132 -4.022 -11.368 0.524 1.00 21.21 H new ATOM 0 HG23 VAL A 132 -4.880 -12.244 -0.766 1.00 21.21 H new ATOM 1912 N SER A 133 -8.345 -9.158 -0.667 1.00 63.14 N ATOM 1913 CA SER A 133 -9.293 -8.078 -0.812 1.00 12.51 C ATOM 1914 C SER A 133 -10.371 -8.123 0.271 1.00 72.24 C ATOM 1915 O SER A 133 -10.796 -7.075 0.756 1.00 14.33 O ATOM 1916 CB SER A 133 -9.909 -8.101 -2.210 1.00 4.13 C ATOM 1917 OG SER A 133 -10.891 -7.089 -2.380 1.00 72.11 O ATOM 0 H SER A 133 -8.308 -9.790 -1.467 1.00 63.14 H new ATOM 0 HA SER A 133 -8.756 -7.138 -0.686 1.00 12.51 H new ATOM 0 HB2 SER A 133 -9.123 -7.971 -2.954 1.00 4.13 H new ATOM 0 HB3 SER A 133 -10.360 -9.077 -2.390 1.00 4.13 H new ATOM 0 HG SER A 133 -11.258 -7.138 -3.287 1.00 72.11 H new ATOM 1923 N ALA A 134 -10.791 -9.326 0.658 1.00 51.13 N ATOM 1924 CA ALA A 134 -11.791 -9.483 1.708 1.00 54.30 C ATOM 1925 C ALA A 134 -11.208 -9.034 3.033 1.00 33.53 C ATOM 1926 O ALA A 134 -11.851 -8.329 3.804 1.00 61.41 O ATOM 1927 CB ALA A 134 -12.256 -10.925 1.792 1.00 33.12 C ATOM 0 H ALA A 134 -10.454 -10.203 0.260 1.00 51.13 H new ATOM 0 HA ALA A 134 -12.656 -8.864 1.471 1.00 54.30 H new ATOM 0 HB1 ALA A 134 -13.002 -11.021 2.581 1.00 33.12 H new ATOM 0 HB2 ALA A 134 -12.695 -11.222 0.840 1.00 33.12 H new ATOM 0 HB3 ALA A 134 -11.406 -11.569 2.016 1.00 33.12 H new ATOM 1933 N MET A 135 -9.968 -9.436 3.269 1.00 50.15 N ATOM 1934 CA MET A 135 -9.235 -9.050 4.461 1.00 53.22 C ATOM 1935 C MET A 135 -9.132 -7.528 4.532 1.00 32.51 C ATOM 1936 O MET A 135 -9.483 -6.920 5.536 1.00 42.11 O ATOM 1937 CB MET A 135 -7.826 -9.652 4.429 1.00 64.23 C ATOM 1938 CG MET A 135 -6.969 -9.304 5.636 1.00 72.02 C ATOM 1939 SD MET A 135 -5.259 -9.863 5.468 1.00 23.21 S ATOM 1940 CE MET A 135 -5.460 -11.626 5.321 1.00 22.11 C ATOM 0 H MET A 135 -9.443 -10.040 2.637 1.00 50.15 H new ATOM 0 HA MET A 135 -9.766 -9.422 5.337 1.00 53.22 H new ATOM 0 HB2 MET A 135 -7.909 -10.737 4.357 1.00 64.23 H new ATOM 0 HB3 MET A 135 -7.318 -9.311 3.527 1.00 64.23 H new ATOM 0 HG2 MET A 135 -6.980 -8.224 5.784 1.00 72.02 H new ATOM 0 HG3 MET A 135 -7.407 -9.753 6.528 1.00 72.02 H new ATOM 0 HE1 MET A 135 -4.481 -12.105 5.319 1.00 22.11 H new ATOM 0 HE2 MET A 135 -6.043 -11.997 6.164 1.00 22.11 H new ATOM 0 HE3 MET A 135 -5.979 -11.857 4.391 1.00 22.11 H new ATOM 1950 N ILE A 136 -8.672 -6.929 3.440 1.00 12.11 N ATOM 1951 CA ILE A 136 -8.494 -5.495 3.343 1.00 43.42 C ATOM 1952 C ILE A 136 -9.812 -4.749 3.596 1.00 23.32 C ATOM 1953 O ILE A 136 -9.858 -3.824 4.416 1.00 5.34 O ATOM 1954 CB ILE A 136 -7.934 -5.087 1.947 1.00 63.42 C ATOM 1955 CG1 ILE A 136 -6.567 -5.736 1.695 1.00 15.21 C ATOM 1956 CG2 ILE A 136 -7.816 -3.580 1.846 1.00 22.10 C ATOM 1957 CD1 ILE A 136 -5.990 -5.448 0.320 1.00 2.31 C ATOM 0 H ILE A 136 -8.411 -7.434 2.593 1.00 12.11 H new ATOM 0 HA ILE A 136 -7.774 -5.214 4.112 1.00 43.42 H new ATOM 0 HB ILE A 136 -8.631 -5.441 1.187 1.00 63.42 H new ATOM 0 HG12 ILE A 136 -5.865 -5.387 2.452 1.00 15.21 H new ATOM 0 HG13 ILE A 136 -6.660 -6.815 1.820 1.00 15.21 H new ATOM 0 HG21 ILE A 136 -7.424 -3.311 0.865 1.00 22.10 H new ATOM 0 HG22 ILE A 136 -8.799 -3.128 1.980 1.00 22.10 H new ATOM 0 HG23 ILE A 136 -7.141 -3.215 2.620 1.00 22.10 H new ATOM 0 HD11 ILE A 136 -5.023 -5.942 0.220 1.00 2.31 H new ATOM 0 HD12 ILE A 136 -6.669 -5.823 -0.445 1.00 2.31 H new ATOM 0 HD13 ILE A 136 -5.862 -4.373 0.197 1.00 2.31 H new ATOM 1964 N GLU A 137 -10.879 -5.172 2.931 1.00 1.15 N ATOM 1965 CA GLU A 137 -12.134 -4.461 3.031 1.00 74.22 C ATOM 1966 C GLU A 137 -12.736 -4.570 4.430 1.00 2.22 C ATOM 1967 O GLU A 137 -13.418 -3.672 4.871 1.00 31.50 O ATOM 1968 CB GLU A 137 -13.118 -4.845 1.882 1.00 55.13 C ATOM 1969 CG GLU A 137 -13.753 -6.236 1.917 1.00 30.14 C ATOM 1970 CD GLU A 137 -14.949 -6.320 2.849 1.00 72.55 C ATOM 1971 OE1 GLU A 137 -16.033 -5.837 2.461 1.00 21.33 O ATOM 1972 OE2 GLU A 137 -14.841 -6.866 3.951 1.00 40.10 O ATOM 0 H GLU A 137 -10.896 -5.993 2.326 1.00 1.15 H new ATOM 0 HA GLU A 137 -11.929 -3.400 2.886 1.00 74.22 H new ATOM 0 HB2 GLU A 137 -13.923 -4.110 1.872 1.00 55.13 H new ATOM 0 HB3 GLU A 137 -12.584 -4.745 0.937 1.00 55.13 H new ATOM 0 HG2 GLU A 137 -14.064 -6.512 0.910 1.00 30.14 H new ATOM 0 HG3 GLU A 137 -13.004 -6.963 2.230 1.00 30.14 H new ATOM 1979 N GLU A 138 -12.454 -5.667 5.118 1.00 51.43 N ATOM 1980 CA GLU A 138 -12.919 -5.881 6.455 1.00 11.13 C ATOM 1981 C GLU A 138 -12.101 -5.058 7.463 1.00 62.30 C ATOM 1982 O GLU A 138 -12.650 -4.447 8.391 1.00 23.14 O ATOM 1983 CB GLU A 138 -12.837 -7.366 6.779 1.00 51.43 C ATOM 1984 CG GLU A 138 -13.285 -7.700 8.163 1.00 43.12 C ATOM 1985 CD GLU A 138 -13.250 -9.167 8.455 1.00 13.02 C ATOM 1986 OE1 GLU A 138 -12.167 -9.708 8.705 1.00 42.20 O ATOM 1987 OE2 GLU A 138 -14.311 -9.808 8.440 1.00 12.35 O ATOM 0 H GLU A 138 -11.890 -6.432 4.749 1.00 51.43 H new ATOM 0 HA GLU A 138 -13.955 -5.550 6.529 1.00 11.13 H new ATOM 0 HB2 GLU A 138 -13.447 -7.920 6.065 1.00 51.43 H new ATOM 0 HB3 GLU A 138 -11.808 -7.702 6.648 1.00 51.43 H new ATOM 0 HG2 GLU A 138 -12.651 -7.178 8.879 1.00 43.12 H new ATOM 0 HG3 GLU A 138 -14.300 -7.331 8.308 1.00 43.12 H new ATOM 1994 N VAL A 139 -10.803 -5.040 7.280 1.00 0.25 N ATOM 1995 CA VAL A 139 -9.913 -4.294 8.159 1.00 52.42 C ATOM 1996 C VAL A 139 -10.175 -2.773 8.073 1.00 21.14 C ATOM 1997 O VAL A 139 -10.146 -2.061 9.087 1.00 35.50 O ATOM 1998 CB VAL A 139 -8.407 -4.623 7.852 1.00 34.14 C ATOM 1999 CG1 VAL A 139 -7.469 -3.735 8.640 1.00 43.43 C ATOM 2000 CG2 VAL A 139 -8.107 -6.082 8.176 1.00 4.34 C ATOM 0 H VAL A 139 -10.329 -5.536 6.525 1.00 0.25 H new ATOM 0 HA VAL A 139 -10.125 -4.608 9.181 1.00 52.42 H new ATOM 0 HB VAL A 139 -8.245 -4.439 6.790 1.00 34.14 H new ATOM 0 HG11 VAL A 139 -6.437 -3.993 8.401 1.00 43.43 H new ATOM 0 HG12 VAL A 139 -7.652 -2.692 8.381 1.00 43.43 H new ATOM 0 HG13 VAL A 139 -7.641 -3.880 9.707 1.00 43.43 H new ATOM 0 HG21 VAL A 139 -7.060 -6.295 7.958 1.00 4.34 H new ATOM 0 HG22 VAL A 139 -8.303 -6.268 9.232 1.00 4.34 H new ATOM 0 HG23 VAL A 139 -8.742 -6.727 7.570 1.00 4.34 H new ATOM 2006 N PHE A 140 -10.420 -2.290 6.879 1.00 22.45 N ATOM 2007 CA PHE A 140 -10.654 -0.866 6.655 1.00 32.25 C ATOM 2008 C PHE A 140 -12.154 -0.484 6.557 1.00 11.23 C ATOM 2009 O PHE A 140 -12.476 0.679 6.263 1.00 1.50 O ATOM 2010 CB PHE A 140 -9.899 -0.398 5.406 1.00 20.33 C ATOM 2011 CG PHE A 140 -8.401 -0.527 5.516 1.00 33.53 C ATOM 2012 CD1 PHE A 140 -7.772 -1.740 5.274 1.00 5.14 C ATOM 2013 CD2 PHE A 140 -7.622 0.564 5.853 1.00 45.23 C ATOM 2014 CE1 PHE A 140 -6.405 -1.863 5.366 1.00 25.22 C ATOM 2015 CE2 PHE A 140 -6.249 0.447 5.947 1.00 15.11 C ATOM 2016 CZ PHE A 140 -5.643 -0.769 5.704 1.00 23.31 C ATOM 0 H PHE A 140 -10.465 -2.860 6.034 1.00 22.45 H new ATOM 0 HA PHE A 140 -10.272 -0.351 7.536 1.00 32.25 H new ATOM 0 HB2 PHE A 140 -10.242 -0.976 4.548 1.00 20.33 H new ATOM 0 HB3 PHE A 140 -10.151 0.644 5.210 1.00 20.33 H new ATOM 0 HD1 PHE A 140 -8.366 -2.602 5.009 1.00 5.14 H new ATOM 0 HD2 PHE A 140 -8.092 1.517 6.045 1.00 45.23 H new ATOM 0 HE1 PHE A 140 -5.932 -2.815 5.174 1.00 25.22 H new ATOM 0 HE2 PHE A 140 -5.650 1.306 6.210 1.00 15.11 H new ATOM 0 HZ PHE A 140 -4.570 -0.862 5.779 1.00 23.31 H new ATOM 2026 N GLU A 141 -13.063 -1.420 6.830 1.00 61.05 N ATOM 2027 CA GLU A 141 -14.505 -1.155 6.615 1.00 1.51 C ATOM 2028 C GLU A 141 -15.068 -0.054 7.495 1.00 45.14 C ATOM 2029 O GLU A 141 -15.850 0.771 7.040 1.00 62.54 O ATOM 2030 CB GLU A 141 -15.378 -2.407 6.748 1.00 33.42 C ATOM 2031 CG GLU A 141 -15.401 -3.033 8.123 1.00 2.34 C ATOM 2032 CD GLU A 141 -16.414 -4.129 8.232 1.00 3.35 C ATOM 2033 OE1 GLU A 141 -17.621 -3.820 8.331 1.00 42.24 O ATOM 2034 OE2 GLU A 141 -16.037 -5.303 8.243 1.00 51.02 O ATOM 0 H GLU A 141 -12.846 -2.349 7.192 1.00 61.05 H new ATOM 0 HA GLU A 141 -14.546 -0.811 5.582 1.00 1.51 H new ATOM 0 HB2 GLU A 141 -16.399 -2.150 6.466 1.00 33.42 H new ATOM 0 HB3 GLU A 141 -15.028 -3.152 6.033 1.00 33.42 H new ATOM 0 HG2 GLU A 141 -14.413 -3.430 8.355 1.00 2.34 H new ATOM 0 HG3 GLU A 141 -15.618 -2.265 8.866 1.00 2.34 H new ATOM 2041 N ALA A 142 -14.659 -0.032 8.722 1.00 53.42 N ATOM 2042 CA ALA A 142 -15.206 0.898 9.693 1.00 53.12 C ATOM 2043 C ALA A 142 -14.386 2.169 9.781 1.00 50.53 C ATOM 2044 O ALA A 142 -14.592 2.994 10.674 1.00 10.04 O ATOM 2045 CB ALA A 142 -15.326 0.225 11.050 1.00 42.33 C ATOM 0 H ALA A 142 -13.938 -0.651 9.092 1.00 53.42 H new ATOM 0 HA ALA A 142 -16.202 1.188 9.358 1.00 53.12 H new ATOM 0 HB1 ALA A 142 -15.737 0.931 11.771 1.00 42.33 H new ATOM 0 HB2 ALA A 142 -15.986 -0.639 10.971 1.00 42.33 H new ATOM 0 HB3 ALA A 142 -14.341 -0.101 11.383 1.00 42.33 H new ATOM 2051 N THR A 143 -13.476 2.343 8.858 1.00 2.41 N ATOM 2052 CA THR A 143 -12.681 3.532 8.842 1.00 20.03 C ATOM 2053 C THR A 143 -13.133 4.445 7.718 1.00 5.52 C ATOM 2054 O THR A 143 -13.918 4.043 6.856 1.00 30.42 O ATOM 2055 CB THR A 143 -11.168 3.234 8.697 1.00 12.24 C ATOM 2056 OG1 THR A 143 -10.905 2.519 7.483 1.00 24.23 O ATOM 2057 CG2 THR A 143 -10.654 2.429 9.875 1.00 41.24 C ATOM 0 H THR A 143 -13.271 1.677 8.113 1.00 2.41 H new ATOM 0 HA THR A 143 -12.825 4.025 9.804 1.00 20.03 H new ATOM 0 HB THR A 143 -10.648 4.192 8.670 1.00 12.24 H new ATOM 0 HG1 THR A 143 -11.647 1.907 7.297 1.00 24.23 H new ATOM 0 HG21 THR A 143 -9.589 2.235 9.746 1.00 41.24 H new ATOM 0 HG22 THR A 143 -10.811 2.991 10.796 1.00 41.24 H new ATOM 0 HG23 THR A 143 -11.191 1.482 9.931 1.00 41.24 H new ATOM 2063 N ASP A 144 -12.629 5.652 7.717 1.00 31.20 N ATOM 2064 CA ASP A 144 -12.953 6.633 6.683 1.00 22.01 C ATOM 2065 C ASP A 144 -11.973 6.553 5.535 1.00 33.10 C ATOM 2066 O ASP A 144 -11.954 7.417 4.654 1.00 63.31 O ATOM 2067 CB ASP A 144 -12.950 8.049 7.265 1.00 13.40 C ATOM 2068 CG ASP A 144 -14.059 8.280 8.249 1.00 74.01 C ATOM 2069 OD1 ASP A 144 -15.201 8.520 7.812 1.00 3.41 O ATOM 2070 OD2 ASP A 144 -13.814 8.217 9.467 1.00 30.25 O ATOM 0 H ASP A 144 -11.982 5.994 8.427 1.00 31.20 H new ATOM 0 HA ASP A 144 -13.950 6.403 6.308 1.00 22.01 H new ATOM 0 HB2 ASP A 144 -11.993 8.233 7.754 1.00 13.40 H new ATOM 0 HB3 ASP A 144 -13.036 8.770 6.452 1.00 13.40 H new ATOM 2075 N ILE A 145 -11.184 5.507 5.540 1.00 42.25 N ATOM 2076 CA ILE A 145 -10.139 5.307 4.569 1.00 24.32 C ATOM 2077 C ILE A 145 -10.698 4.693 3.287 1.00 15.22 C ATOM 2078 O ILE A 145 -11.436 3.696 3.326 1.00 31.31 O ATOM 2079 CB ILE A 145 -9.040 4.374 5.150 1.00 74.33 C ATOM 2080 CG1 ILE A 145 -8.506 4.951 6.472 1.00 75.04 C ATOM 2081 CG2 ILE A 145 -7.893 4.197 4.146 1.00 22.33 C ATOM 2082 CD1 ILE A 145 -7.527 4.051 7.195 1.00 34.22 C ATOM 0 H ILE A 145 -11.252 4.759 6.230 1.00 42.25 H new ATOM 0 HA ILE A 145 -9.706 6.279 4.334 1.00 24.32 H new ATOM 0 HB ILE A 145 -9.481 3.396 5.342 1.00 74.33 H new ATOM 0 HG12 ILE A 145 -8.021 5.906 6.268 1.00 75.04 H new ATOM 0 HG13 ILE A 145 -9.349 5.156 7.132 1.00 75.04 H new ATOM 0 HG21 ILE A 145 -7.134 3.541 4.572 1.00 22.33 H new ATOM 0 HG22 ILE A 145 -8.279 3.757 3.227 1.00 22.33 H new ATOM 0 HG23 ILE A 145 -7.450 5.168 3.925 1.00 22.33 H new ATOM 0 HD11 ILE A 145 -7.201 4.534 8.116 1.00 34.22 H new ATOM 0 HD12 ILE A 145 -8.011 3.104 7.434 1.00 34.22 H new ATOM 0 HD13 ILE A 145 -6.663 3.866 6.557 1.00 34.22 H new ATOM 2089 N LYS A 146 -10.370 5.306 2.172 1.00 30.15 N ATOM 2090 CA LYS A 146 -10.724 4.793 0.870 1.00 12.04 C ATOM 2091 C LYS A 146 -9.504 4.146 0.275 1.00 63.34 C ATOM 2092 O LYS A 146 -8.446 4.791 0.141 1.00 61.12 O ATOM 2093 CB LYS A 146 -11.220 5.893 -0.114 1.00 31.34 C ATOM 2094 CG LYS A 146 -12.525 6.612 0.242 1.00 14.33 C ATOM 2095 CD LYS A 146 -12.377 7.505 1.449 1.00 32.44 C ATOM 2096 CE LYS A 146 -13.667 8.229 1.769 1.00 64.01 C ATOM 2097 NZ LYS A 146 -13.509 9.136 2.917 1.00 61.01 N ATOM 0 H LYS A 146 -9.846 6.181 2.144 1.00 30.15 H new ATOM 0 HA LYS A 146 -11.545 4.090 1.010 1.00 12.04 H new ATOM 0 HB2 LYS A 146 -10.435 6.643 -0.206 1.00 31.34 H new ATOM 0 HB3 LYS A 146 -11.342 5.437 -1.097 1.00 31.34 H new ATOM 0 HG2 LYS A 146 -12.853 7.208 -0.610 1.00 14.33 H new ATOM 0 HG3 LYS A 146 -13.304 5.873 0.433 1.00 14.33 H new ATOM 0 HD2 LYS A 146 -12.071 6.908 2.308 1.00 32.44 H new ATOM 0 HD3 LYS A 146 -11.586 8.233 1.269 1.00 32.44 H new ATOM 0 HE2 LYS A 146 -13.992 8.797 0.897 1.00 64.01 H new ATOM 0 HE3 LYS A 146 -14.449 7.501 1.984 1.00 64.01 H new ATOM 0 HZ1 LYS A 146 -14.445 9.378 3.300 1.00 61.01 H new ATOM 0 HZ2 LYS A 146 -12.944 8.668 3.654 1.00 61.01 H new ATOM 0 HZ3 LYS A 146 -13.026 10.004 2.610 1.00 61.01 H new ATOM 2111 N ILE A 147 -9.612 2.898 -0.049 1.00 53.20 N ATOM 2112 CA ILE A 147 -8.531 2.200 -0.674 1.00 35.02 C ATOM 2113 C ILE A 147 -8.774 2.055 -2.133 1.00 64.11 C ATOM 2114 O ILE A 147 -9.832 1.608 -2.558 1.00 5.14 O ATOM 2115 CB ILE A 147 -8.235 0.842 -0.013 1.00 51.12 C ATOM 2116 CG1 ILE A 147 -7.661 1.091 1.368 1.00 22.55 C ATOM 2117 CG2 ILE A 147 -7.287 -0.012 -0.865 1.00 2.44 C ATOM 2118 CD1 ILE A 147 -7.318 -0.157 2.124 1.00 21.12 C ATOM 0 H ILE A 147 -10.447 2.334 0.110 1.00 53.20 H new ATOM 0 HA ILE A 147 -7.636 2.806 -0.532 1.00 35.02 H new ATOM 0 HB ILE A 147 -9.163 0.277 0.072 1.00 51.12 H new ATOM 0 HG12 ILE A 147 -6.764 1.702 1.272 1.00 22.55 H new ATOM 0 HG13 ILE A 147 -8.380 1.669 1.949 1.00 22.55 H new ATOM 0 HG21 ILE A 147 -7.103 -0.962 -0.363 1.00 2.44 H new ATOM 0 HG22 ILE A 147 -7.740 -0.197 -1.839 1.00 2.44 H new ATOM 0 HG23 ILE A 147 -6.343 0.516 -0.999 1.00 2.44 H new ATOM 0 HD11 ILE A 147 -6.914 0.109 3.101 1.00 21.12 H new ATOM 0 HD12 ILE A 147 -8.216 -0.761 2.255 1.00 21.12 H new ATOM 0 HD13 ILE A 147 -6.575 -0.727 1.567 1.00 21.12 H new ATOM 2125 N THR A 148 -7.815 2.441 -2.892 1.00 12.53 N ATOM 2126 CA THR A 148 -7.932 2.408 -4.307 1.00 64.43 C ATOM 2127 C THR A 148 -6.809 1.582 -4.915 1.00 30.41 C ATOM 2128 O THR A 148 -5.626 1.821 -4.640 1.00 62.13 O ATOM 2129 CB THR A 148 -7.926 3.842 -4.871 1.00 74.41 C ATOM 2130 OG1 THR A 148 -8.955 4.608 -4.220 1.00 41.12 O ATOM 2131 CG2 THR A 148 -8.192 3.839 -6.360 1.00 35.43 C ATOM 0 H THR A 148 -6.920 2.791 -2.549 1.00 12.53 H new ATOM 0 HA THR A 148 -8.878 1.937 -4.572 1.00 64.43 H new ATOM 0 HB THR A 148 -6.945 4.281 -4.689 1.00 74.41 H new ATOM 0 HG1 THR A 148 -8.955 5.522 -4.573 1.00 41.12 H new ATOM 0 HG21 THR A 148 -8.182 4.863 -6.733 1.00 35.43 H new ATOM 0 HG22 THR A 148 -7.419 3.261 -6.867 1.00 35.43 H new ATOM 0 HG23 THR A 148 -9.166 3.391 -6.555 1.00 35.43 H new ATOM 2137 N VAL A 149 -7.176 0.599 -5.718 1.00 51.52 N ATOM 2138 CA VAL A 149 -6.206 -0.221 -6.368 1.00 4.33 C ATOM 2139 C VAL A 149 -6.106 0.231 -7.817 1.00 62.32 C ATOM 2140 O VAL A 149 -7.127 0.440 -8.497 1.00 20.54 O ATOM 2141 CB VAL A 149 -6.521 -1.771 -6.283 1.00 11.13 C ATOM 2142 CG1 VAL A 149 -6.959 -2.189 -4.897 1.00 51.21 C ATOM 2143 CG2 VAL A 149 -7.471 -2.283 -7.365 1.00 34.44 C ATOM 0 H VAL A 149 -8.145 0.360 -5.927 1.00 51.52 H new ATOM 0 HA VAL A 149 -5.255 -0.096 -5.850 1.00 4.33 H new ATOM 0 HB VAL A 149 -5.570 -2.261 -6.490 1.00 11.13 H new ATOM 0 HG11 VAL A 149 -7.164 -3.260 -4.888 1.00 51.21 H new ATOM 0 HG12 VAL A 149 -6.167 -1.965 -4.182 1.00 51.21 H new ATOM 0 HG13 VAL A 149 -7.862 -1.644 -4.621 1.00 51.21 H new ATOM 0 HG21 VAL A 149 -7.632 -3.353 -7.232 1.00 34.44 H new ATOM 0 HG22 VAL A 149 -8.425 -1.761 -7.289 1.00 34.44 H new ATOM 0 HG23 VAL A 149 -7.035 -2.101 -8.347 1.00 34.44 H new ATOM 2149 N TYR A 150 -4.922 0.443 -8.266 1.00 73.03 N ATOM 2150 CA TYR A 150 -4.707 0.848 -9.630 1.00 0.45 C ATOM 2151 C TYR A 150 -4.451 -0.368 -10.483 1.00 63.13 C ATOM 2152 O TYR A 150 -3.545 -1.168 -10.204 1.00 55.43 O ATOM 2153 CB TYR A 150 -3.583 1.882 -9.738 1.00 0.44 C ATOM 2154 CG TYR A 150 -3.914 3.253 -9.129 1.00 65.25 C ATOM 2155 CD1 TYR A 150 -4.213 3.398 -7.777 1.00 21.33 C ATOM 2156 CD2 TYR A 150 -3.920 4.397 -9.916 1.00 2.45 C ATOM 2157 CE1 TYR A 150 -4.503 4.633 -7.235 1.00 40.01 C ATOM 2158 CE2 TYR A 150 -4.204 5.640 -9.376 1.00 52.02 C ATOM 2159 CZ TYR A 150 -4.496 5.751 -8.032 1.00 15.34 C ATOM 2160 OH TYR A 150 -4.771 6.993 -7.478 1.00 65.52 O ATOM 0 H TYR A 150 -4.072 0.345 -7.712 1.00 73.03 H new ATOM 0 HA TYR A 150 -5.606 1.340 -10.001 1.00 0.45 H new ATOM 0 HB2 TYR A 150 -2.694 1.486 -9.247 1.00 0.44 H new ATOM 0 HB3 TYR A 150 -3.332 2.018 -10.790 1.00 0.44 H new ATOM 0 HD1 TYR A 150 -4.218 2.526 -7.140 1.00 21.33 H new ATOM 0 HD2 TYR A 150 -3.699 4.316 -10.970 1.00 2.45 H new ATOM 0 HE1 TYR A 150 -4.736 4.720 -6.184 1.00 40.01 H new ATOM 0 HE2 TYR A 150 -4.197 6.519 -10.004 1.00 52.02 H new ATOM 0 HH TYR A 150 -4.351 7.058 -6.595 1.00 65.52 H new ATOM 2170 N THR A 151 -5.275 -0.536 -11.475 1.00 51.13 N ATOM 2171 CA THR A 151 -5.203 -1.662 -12.346 1.00 5.34 C ATOM 2172 C THR A 151 -4.895 -1.171 -13.761 1.00 15.13 C ATOM 2173 O THR A 151 -5.667 -0.423 -14.343 1.00 74.54 O ATOM 2174 CB THR A 151 -6.547 -2.400 -12.324 1.00 31.10 C ATOM 2175 OG1 THR A 151 -6.952 -2.557 -10.952 1.00 12.41 O ATOM 2176 CG2 THR A 151 -6.407 -3.780 -12.938 1.00 10.13 C ATOM 0 H THR A 151 -6.025 0.117 -11.701 1.00 51.13 H new ATOM 0 HA THR A 151 -4.417 -2.344 -12.021 1.00 5.34 H new ATOM 0 HB THR A 151 -7.279 -1.827 -12.893 1.00 31.10 H new ATOM 0 HG1 THR A 151 -7.812 -3.026 -10.916 1.00 12.41 H new ATOM 0 HG21 THR A 151 -7.371 -4.289 -12.914 1.00 10.13 H new ATOM 0 HG22 THR A 151 -6.072 -3.686 -13.971 1.00 10.13 H new ATOM 0 HG23 THR A 151 -5.677 -4.358 -12.371 1.00 10.13 H new ATOM 2182 N LEU A 152 -3.769 -1.573 -14.277 1.00 25.24 N ATOM 2183 CA LEU A 152 -3.307 -1.146 -15.583 1.00 3.11 C ATOM 2184 C LEU A 152 -4.003 -1.936 -16.675 1.00 60.10 C ATOM 2185 O LEU A 152 -4.929 -1.400 -17.316 1.00 36.26 O ATOM 2186 CB LEU A 152 -1.771 -1.290 -15.726 1.00 4.24 C ATOM 2187 CG LEU A 152 -0.871 -0.508 -14.747 1.00 12.34 C ATOM 2188 CD1 LEU A 152 -1.018 -1.017 -13.340 1.00 40.32 C ATOM 2189 CD2 LEU A 152 0.579 -0.584 -15.176 1.00 5.24 C ATOM 2190 OXT LEU A 152 -3.645 -3.108 -16.879 1.00 36.26 O ATOM 0 H LEU A 152 -3.132 -2.214 -13.804 1.00 25.24 H new ATOM 0 HA LEU A 152 -3.556 -0.090 -15.686 1.00 3.11 H new ATOM 0 HB2 LEU A 152 -1.526 -2.348 -15.631 1.00 4.24 H new ATOM 0 HB3 LEU A 152 -1.501 -0.990 -16.738 1.00 4.24 H new ATOM 0 HG LEU A 152 -1.193 0.533 -14.768 1.00 12.34 H new ATOM 0 HD11 LEU A 152 -0.370 -0.444 -12.676 1.00 40.32 H new ATOM 0 HD12 LEU A 152 -2.054 -0.907 -13.020 1.00 40.32 H new ATOM 0 HD13 LEU A 152 -0.736 -2.069 -13.302 1.00 40.32 H new ATOM 0 HD21 LEU A 152 1.196 -0.026 -14.472 1.00 5.24 H new ATOM 0 HD22 LEU A 152 0.899 -1.626 -15.193 1.00 5.24 H new ATOM 0 HD23 LEU A 152 0.687 -0.155 -16.172 1.00 5.24 H new