USER MOD reduce.3.24.130724 H: found=0, std=0, add=1080, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1082 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 24 CYS SG : rot -96:sc= -2.12! USER MOD Set 1.2: A 150 TYR OH : rot 180:sc= 0.0877 USER MOD Set 2.1: A 103 MET CE :methyl 155:sc= -3.8! (180deg=-4.56!) USER MOD Set 2.2: A 117 MET CE :methyl 153:sc= -0.273 (180deg=-1.39) USER MOD Set 3.1: A 104 LYS NZ :NH3+ 141:sc= 1.05 (180deg=-2.92!) USER MOD Set 3.2: A 105 SER OG : rot 140:sc= 0.302 USER MOD Set 4.1: A 79 TYR OH : rot -169:sc= 1.32 USER MOD Set 4.2: A 106 HIS : no HD1:sc= -0.815 K(o=1.2,f=-9.8!) USER MOD Set 4.3: A 110 ASN :FLIP amide:sc= 0.693 F(o=-2.5!,f=1.2) USER MOD Set 5.1: A 72 LYS NZ :NH3+ -165:sc= -0.0248 (180deg=-0.259) USER MOD Set 5.2: A 77 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 16 TYR OH : rot 180:sc= 1.38 USER MOD Set 6.2: A 133 SER OG : rot 141:sc= 0.289 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 179:sc= 1.33 (180deg=1.26) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0585 USER MOD Single : A 29 SER OG : rot 180:sc= 0.22 USER MOD Single : A 32 HIS : no HD1:sc= -0.0826 K(o=-0.083,f=-1) USER MOD Single : A 33 CYS SG : rot 180:sc= 0.0778 USER MOD Single : A 35 SER OG : rot -141:sc= 0.159 USER MOD Single : A 38 CYS SG : rot -110:sc= -0.0577 USER MOD Single : A 40 MET CE :methyl -161:sc= 0 (180deg=-0.378) USER MOD Single : A 49 LYS NZ :NH3+ -135:sc= 1.29 (180deg=0.717) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 176:sc= 0.649 (180deg=0.641) USER MOD Single : A 56 GLN : amide:sc= -0.664 X(o=-0.66,f=-0.66) USER MOD Single : A 60 ASN : amide:sc= -0.051 K(o=-0.051,f=-1.1) USER MOD Single : A 61 GLN : amide:sc= 0.703 K(o=0.7,f=-3) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0985) USER MOD Single : A 65 SER OG : rot 23:sc= 1.1 USER MOD Single : A 80 TYR OH : rot -106:sc= 0.229 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= -0.249 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -2.28! C(o=-3.2!,f=-2.3!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 143:sc= -0.826 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.779 K(o=0.78,f=-2.7!) USER MOD Single : A 97 GLN : amide:sc=-0.00516 K(o=-0.0052,f=-0.9) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -28:sc= 1.31 USER MOD Single : A 107 CYS SG : rot -68:sc= -6.28! USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 84:sc= 0.977 USER MOD Single : A 116 SER OG : rot -40:sc= 1.04 USER MOD Single : A 128 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 131 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 135 MET CE :methyl -167:sc= -0.833 (180deg=-1.1) USER MOD Single : A 143 THR OG1 : rot 30:sc= -0.324 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 40:sc= 0.137 USER MOD ----------------------------------------------------------------- ATOM 155 N ARG A 13 -7.412 2.248 -14.150 1.00 2.24 N ATOM 156 CA ARG A 13 -6.499 1.545 -13.276 1.00 33.34 C ATOM 157 C ARG A 13 -7.070 1.610 -11.901 1.00 3.25 C ATOM 158 O ARG A 13 -7.307 0.597 -11.253 1.00 54.22 O ATOM 159 CB ARG A 13 -5.129 2.213 -13.255 1.00 64.33 C ATOM 160 CG ARG A 13 -4.240 1.967 -14.453 1.00 0.21 C ATOM 161 CD ARG A 13 -3.566 0.583 -14.399 1.00 12.22 C ATOM 162 NE ARG A 13 -4.487 -0.551 -14.536 1.00 34.32 N ATOM 163 CZ ARG A 13 -4.331 -1.558 -15.404 1.00 32.12 C ATOM 164 NH1 ARG A 13 -3.316 -1.550 -16.269 1.00 12.22 N ATOM 165 NH2 ARG A 13 -5.193 -2.565 -15.402 1.00 43.10 N ATOM 0 HA ARG A 13 -6.377 0.521 -13.628 1.00 33.34 H new ATOM 0 HB2 ARG A 13 -5.275 3.288 -13.154 1.00 64.33 H new ATOM 0 HB3 ARG A 13 -4.600 1.878 -12.363 1.00 64.33 H new ATOM 0 HG2 ARG A 13 -4.831 2.047 -15.365 1.00 0.21 H new ATOM 0 HG3 ARG A 13 -3.474 2.741 -14.501 1.00 0.21 H new ATOM 0 HD2 ARG A 13 -2.820 0.526 -15.191 1.00 12.22 H new ATOM 0 HD3 ARG A 13 -3.034 0.489 -13.452 1.00 12.22 H new ATOM 0 HE ARG A 13 -5.304 -0.574 -13.926 1.00 34.32 H new ATOM 0 HH11 ARG A 13 -2.654 -0.774 -16.271 1.00 12.22 H new ATOM 0 HH12 ARG A 13 -3.202 -2.320 -16.928 1.00 12.22 H new ATOM 0 HH21 ARG A 13 -5.970 -2.570 -14.741 1.00 43.10 H new ATOM 0 HH22 ARG A 13 -5.079 -3.335 -16.061 1.00 43.10 H new ATOM 179 N ILE A 14 -7.317 2.820 -11.491 1.00 62.12 N ATOM 180 CA ILE A 14 -7.833 3.126 -10.209 1.00 74.12 C ATOM 181 C ILE A 14 -9.324 3.006 -10.204 1.00 21.43 C ATOM 182 O ILE A 14 -10.012 3.461 -11.120 1.00 61.32 O ATOM 183 CB ILE A 14 -7.426 4.555 -9.784 1.00 44.24 C ATOM 184 CG1 ILE A 14 -5.901 4.681 -9.743 1.00 63.52 C ATOM 185 CG2 ILE A 14 -8.040 4.925 -8.445 1.00 53.03 C ATOM 186 CD1 ILE A 14 -5.405 6.061 -9.392 1.00 31.30 C ATOM 0 H ILE A 14 -7.155 3.644 -12.070 1.00 62.12 H new ATOM 0 HA ILE A 14 -7.415 2.414 -9.498 1.00 74.12 H new ATOM 0 HB ILE A 14 -7.811 5.256 -10.525 1.00 44.24 H new ATOM 0 HG12 ILE A 14 -5.508 3.970 -9.016 1.00 63.52 H new ATOM 0 HG13 ILE A 14 -5.498 4.398 -10.715 1.00 63.52 H new ATOM 0 HG21 ILE A 14 -7.736 5.936 -8.172 1.00 53.03 H new ATOM 0 HG22 ILE A 14 -9.127 4.880 -8.518 1.00 53.03 H new ATOM 0 HG23 ILE A 14 -7.699 4.225 -7.682 1.00 53.03 H new ATOM 0 HD11 ILE A 14 -4.315 6.065 -9.384 1.00 31.30 H new ATOM 0 HD12 ILE A 14 -5.765 6.776 -10.132 1.00 31.30 H new ATOM 0 HD13 ILE A 14 -5.776 6.341 -8.406 1.00 31.30 H new ATOM 198 N THR A 15 -9.794 2.354 -9.211 1.00 70.03 N ATOM 199 CA THR A 15 -11.171 2.217 -8.958 1.00 34.21 C ATOM 200 C THR A 15 -11.395 2.735 -7.549 1.00 33.52 C ATOM 201 O THR A 15 -10.650 2.372 -6.633 1.00 70.24 O ATOM 202 CB THR A 15 -11.564 0.747 -9.053 1.00 21.13 C ATOM 203 OG1 THR A 15 -11.073 0.227 -10.305 1.00 52.02 O ATOM 204 CG2 THR A 15 -13.072 0.600 -9.010 1.00 32.42 C ATOM 0 H THR A 15 -9.204 1.883 -8.525 1.00 70.03 H new ATOM 0 HA THR A 15 -11.774 2.769 -9.679 1.00 34.21 H new ATOM 0 HB THR A 15 -11.136 0.200 -8.213 1.00 21.13 H new ATOM 0 HG1 THR A 15 -11.315 -0.719 -10.384 1.00 52.02 H new ATOM 0 HG21 THR A 15 -13.337 -0.455 -9.079 1.00 32.42 H new ATOM 0 HG22 THR A 15 -13.451 1.009 -8.073 1.00 32.42 H new ATOM 0 HG23 THR A 15 -13.514 1.140 -9.847 1.00 32.42 H new ATOM 212 N TYR A 16 -12.356 3.599 -7.379 1.00 64.25 N ATOM 213 CA TYR A 16 -12.574 4.221 -6.099 1.00 65.23 C ATOM 214 C TYR A 16 -13.662 3.518 -5.314 1.00 10.15 C ATOM 215 O TYR A 16 -14.751 3.228 -5.841 1.00 62.24 O ATOM 216 CB TYR A 16 -12.930 5.696 -6.270 1.00 61.30 C ATOM 217 CG TYR A 16 -11.892 6.508 -7.020 1.00 31.32 C ATOM 218 CD1 TYR A 16 -10.718 6.916 -6.403 1.00 32.15 C ATOM 219 CD2 TYR A 16 -12.099 6.882 -8.344 1.00 71.31 C ATOM 220 CE1 TYR A 16 -9.786 7.668 -7.081 1.00 44.24 C ATOM 221 CE2 TYR A 16 -11.165 7.631 -9.030 1.00 13.41 C ATOM 222 CZ TYR A 16 -10.011 8.023 -8.393 1.00 64.22 C ATOM 223 OH TYR A 16 -9.071 8.781 -9.072 1.00 50.24 O ATOM 0 H TYR A 16 -13.003 3.891 -8.111 1.00 64.25 H new ATOM 0 HA TYR A 16 -11.643 4.140 -5.537 1.00 65.23 H new ATOM 0 HB2 TYR A 16 -13.881 5.769 -6.797 1.00 61.30 H new ATOM 0 HB3 TYR A 16 -13.077 6.138 -5.285 1.00 61.30 H new ATOM 0 HD1 TYR A 16 -10.533 6.639 -5.376 1.00 32.15 H new ATOM 0 HD2 TYR A 16 -13.008 6.581 -8.844 1.00 71.31 H new ATOM 0 HE1 TYR A 16 -8.879 7.980 -6.585 1.00 44.24 H new ATOM 0 HE2 TYR A 16 -11.339 7.907 -10.059 1.00 13.41 H new ATOM 0 HH TYR A 16 -9.381 8.944 -9.987 1.00 50.24 H new ATOM 233 N VAL A 17 -13.366 3.224 -4.071 1.00 64.24 N ATOM 234 CA VAL A 17 -14.305 2.616 -3.146 1.00 34.34 C ATOM 235 C VAL A 17 -14.109 3.293 -1.808 1.00 1.43 C ATOM 236 O VAL A 17 -13.000 3.597 -1.447 1.00 32.35 O ATOM 237 CB VAL A 17 -14.029 1.089 -2.937 1.00 21.32 C ATOM 238 CG1 VAL A 17 -15.102 0.441 -2.065 1.00 13.33 C ATOM 239 CG2 VAL A 17 -13.900 0.352 -4.244 1.00 11.21 C ATOM 0 H VAL A 17 -12.449 3.402 -3.662 1.00 64.24 H new ATOM 0 HA VAL A 17 -15.311 2.731 -3.548 1.00 34.34 H new ATOM 0 HB VAL A 17 -13.073 1.015 -2.419 1.00 21.32 H new ATOM 0 HG11 VAL A 17 -14.879 -0.619 -1.941 1.00 13.33 H new ATOM 0 HG12 VAL A 17 -15.119 0.925 -1.089 1.00 13.33 H new ATOM 0 HG13 VAL A 17 -16.075 0.553 -2.542 1.00 13.33 H new ATOM 0 HG21 VAL A 17 -13.709 -0.703 -4.049 1.00 11.21 H new ATOM 0 HG22 VAL A 17 -14.824 0.455 -4.812 1.00 11.21 H new ATOM 0 HG23 VAL A 17 -13.073 0.771 -4.818 1.00 11.21 H new ATOM 249 N LYS A 18 -15.151 3.566 -1.099 1.00 24.22 N ATOM 250 CA LYS A 18 -14.986 4.099 0.218 1.00 31.04 C ATOM 251 C LYS A 18 -15.085 2.953 1.222 1.00 32.24 C ATOM 252 O LYS A 18 -16.067 2.199 1.215 1.00 51.30 O ATOM 253 CB LYS A 18 -16.000 5.222 0.513 1.00 62.23 C ATOM 254 CG LYS A 18 -17.468 4.830 0.418 1.00 52.23 C ATOM 255 CD LYS A 18 -18.392 6.002 0.743 1.00 20.31 C ATOM 256 CE LYS A 18 -18.153 6.541 2.153 1.00 22.22 C ATOM 257 NZ LYS A 18 -19.089 7.637 2.495 1.00 31.13 N ATOM 0 H LYS A 18 -16.116 3.433 -1.400 1.00 24.22 H new ATOM 0 HA LYS A 18 -14.003 4.562 0.302 1.00 31.04 H new ATOM 0 HB2 LYS A 18 -15.809 5.604 1.516 1.00 62.23 H new ATOM 0 HB3 LYS A 18 -15.817 6.043 -0.181 1.00 62.23 H new ATOM 0 HG2 LYS A 18 -17.682 4.466 -0.587 1.00 52.23 H new ATOM 0 HG3 LYS A 18 -17.669 4.008 1.104 1.00 52.23 H new ATOM 0 HD2 LYS A 18 -18.235 6.800 0.018 1.00 20.31 H new ATOM 0 HD3 LYS A 18 -19.430 5.684 0.647 1.00 20.31 H new ATOM 0 HE2 LYS A 18 -18.264 5.731 2.874 1.00 22.22 H new ATOM 0 HE3 LYS A 18 -17.128 6.902 2.234 1.00 22.22 H new ATOM 0 HZ1 LYS A 18 -18.892 7.973 3.459 1.00 31.13 H new ATOM 0 HZ2 LYS A 18 -18.966 8.421 1.823 1.00 31.13 H new ATOM 0 HZ3 LYS A 18 -20.067 7.287 2.443 1.00 31.13 H new ATOM 271 N GLY A 19 -14.070 2.790 2.044 1.00 25.23 N ATOM 272 CA GLY A 19 -14.061 1.692 2.983 1.00 30.34 C ATOM 273 C GLY A 19 -12.745 1.574 3.725 1.00 41.24 C ATOM 274 O GLY A 19 -12.026 2.571 3.887 1.00 43.22 O ATOM 0 H GLY A 19 -13.251 3.396 2.081 1.00 25.23 H new ATOM 0 HA2 GLY A 19 -14.869 1.826 3.702 1.00 30.34 H new ATOM 0 HA3 GLY A 19 -14.259 0.762 2.451 1.00 30.34 H new ATOM 278 N ASP A 20 -12.416 0.368 4.141 1.00 30.22 N ATOM 279 CA ASP A 20 -11.218 0.110 4.948 1.00 1.02 C ATOM 280 C ASP A 20 -10.266 -0.851 4.224 1.00 54.23 C ATOM 281 O ASP A 20 -10.716 -1.769 3.532 1.00 24.15 O ATOM 282 CB ASP A 20 -11.639 -0.479 6.299 1.00 64.31 C ATOM 283 CG ASP A 20 -10.479 -0.784 7.198 1.00 2.43 C ATOM 284 OD1 ASP A 20 -9.950 -1.889 7.122 1.00 51.05 O ATOM 285 OD2 ASP A 20 -10.088 0.080 8.008 1.00 23.22 O ATOM 0 H ASP A 20 -12.964 -0.467 3.935 1.00 30.22 H new ATOM 0 HA ASP A 20 -10.688 1.049 5.106 1.00 1.02 H new ATOM 0 HB2 ASP A 20 -12.305 0.222 6.802 1.00 64.31 H new ATOM 0 HB3 ASP A 20 -12.208 -1.393 6.128 1.00 64.31 H new ATOM 290 N LEU A 21 -8.956 -0.656 4.408 1.00 0.51 N ATOM 291 CA LEU A 21 -7.934 -1.452 3.720 1.00 54.41 C ATOM 292 C LEU A 21 -7.687 -2.816 4.351 1.00 21.44 C ATOM 293 O LEU A 21 -7.166 -3.739 3.694 1.00 13.41 O ATOM 294 CB LEU A 21 -6.644 -0.698 3.624 1.00 62.11 C ATOM 295 CG LEU A 21 -6.685 0.573 2.808 1.00 43.33 C ATOM 296 CD1 LEU A 21 -5.318 1.105 2.688 1.00 63.24 C ATOM 297 CD2 LEU A 21 -7.236 0.306 1.433 1.00 34.03 C ATOM 0 H LEU A 21 -8.576 0.054 5.034 1.00 0.51 H new ATOM 0 HA LEU A 21 -8.332 -1.636 2.722 1.00 54.41 H new ATOM 0 HB2 LEU A 21 -6.314 -0.449 4.633 1.00 62.11 H new ATOM 0 HB3 LEU A 21 -5.890 -1.358 3.196 1.00 62.11 H new ATOM 0 HG LEU A 21 -7.332 1.294 3.307 1.00 43.33 H new ATOM 0 HD11 LEU A 21 -5.335 2.023 2.101 1.00 63.24 H new ATOM 0 HD12 LEU A 21 -4.922 1.317 3.681 1.00 63.24 H new ATOM 0 HD13 LEU A 21 -4.683 0.370 2.193 1.00 63.24 H new ATOM 0 HD21 LEU A 21 -7.257 1.235 0.863 1.00 34.03 H new ATOM 0 HD22 LEU A 21 -6.603 -0.420 0.922 1.00 34.03 H new ATOM 0 HD23 LEU A 21 -8.248 -0.091 1.517 1.00 34.03 H new ATOM 309 N PHE A 22 -8.043 -2.964 5.599 1.00 64.10 N ATOM 310 CA PHE A 22 -7.899 -4.241 6.276 1.00 14.31 C ATOM 311 C PHE A 22 -9.140 -5.070 6.043 1.00 40.34 C ATOM 312 O PHE A 22 -9.124 -6.287 6.179 1.00 73.45 O ATOM 313 CB PHE A 22 -7.635 -4.078 7.786 1.00 13.14 C ATOM 314 CG PHE A 22 -6.337 -3.403 8.126 1.00 23.43 C ATOM 315 CD1 PHE A 22 -5.146 -4.089 8.009 1.00 24.35 C ATOM 316 CD2 PHE A 22 -6.308 -2.093 8.566 1.00 44.55 C ATOM 317 CE1 PHE A 22 -3.948 -3.485 8.317 1.00 34.12 C ATOM 318 CE2 PHE A 22 -5.111 -1.485 8.876 1.00 11.51 C ATOM 319 CZ PHE A 22 -3.930 -2.179 8.750 1.00 41.44 C ATOM 0 H PHE A 22 -8.436 -2.220 6.175 1.00 64.10 H new ATOM 0 HA PHE A 22 -7.029 -4.747 5.859 1.00 14.31 H new ATOM 0 HB2 PHE A 22 -8.452 -3.506 8.224 1.00 13.14 H new ATOM 0 HB3 PHE A 22 -7.650 -5.063 8.252 1.00 13.14 H new ATOM 0 HD1 PHE A 22 -5.154 -5.115 7.671 1.00 24.35 H new ATOM 0 HD2 PHE A 22 -7.231 -1.542 8.668 1.00 44.55 H new ATOM 0 HE1 PHE A 22 -3.024 -4.035 8.219 1.00 34.12 H new ATOM 0 HE2 PHE A 22 -5.100 -0.461 9.219 1.00 11.51 H new ATOM 0 HZ PHE A 22 -2.992 -1.701 8.990 1.00 41.44 H new ATOM 329 N ALA A 23 -10.214 -4.395 5.667 1.00 42.00 N ATOM 330 CA ALA A 23 -11.475 -5.052 5.363 1.00 53.40 C ATOM 331 C ALA A 23 -11.520 -5.462 3.893 1.00 3.24 C ATOM 332 O ALA A 23 -12.548 -5.920 3.391 1.00 13.44 O ATOM 333 CB ALA A 23 -12.643 -4.134 5.692 1.00 63.33 C ATOM 0 H ALA A 23 -10.237 -3.380 5.564 1.00 42.00 H new ATOM 0 HA ALA A 23 -11.555 -5.950 5.976 1.00 53.40 H new ATOM 0 HB1 ALA A 23 -13.580 -4.640 5.459 1.00 63.33 H new ATOM 0 HB2 ALA A 23 -12.620 -3.882 6.752 1.00 63.33 H new ATOM 0 HB3 ALA A 23 -12.566 -3.222 5.101 1.00 63.33 H new ATOM 339 N CYS A 24 -10.410 -5.301 3.216 1.00 61.40 N ATOM 340 CA CYS A 24 -10.292 -5.684 1.830 1.00 65.31 C ATOM 341 C CYS A 24 -9.929 -7.162 1.741 1.00 12.41 C ATOM 342 O CYS A 24 -9.461 -7.748 2.733 1.00 31.30 O ATOM 343 CB CYS A 24 -9.198 -4.858 1.162 1.00 71.43 C ATOM 344 SG CYS A 24 -9.480 -3.091 1.200 1.00 42.21 S ATOM 0 H CYS A 24 -9.560 -4.899 3.612 1.00 61.40 H new ATOM 0 HA CYS A 24 -11.242 -5.508 1.325 1.00 65.31 H new ATOM 0 HB2 CYS A 24 -8.248 -5.073 1.651 1.00 71.43 H new ATOM 0 HB3 CYS A 24 -9.102 -5.176 0.124 1.00 71.43 H new ATOM 0 HG CYS A 24 -10.037 -2.716 0.087 1.00 42.21 H new ATOM 350 N PRO A 25 -10.155 -7.804 0.582 1.00 11.43 N ATOM 351 CA PRO A 25 -9.755 -9.190 0.381 1.00 61.42 C ATOM 352 C PRO A 25 -8.240 -9.333 0.524 1.00 13.24 C ATOM 353 O PRO A 25 -7.470 -8.457 0.087 1.00 12.20 O ATOM 354 CB PRO A 25 -10.190 -9.493 -1.060 1.00 72.33 C ATOM 355 CG PRO A 25 -11.228 -8.474 -1.363 1.00 10.12 C ATOM 356 CD PRO A 25 -10.822 -7.250 -0.614 1.00 61.21 C ATOM 0 HA PRO A 25 -10.200 -9.869 1.108 1.00 61.42 H new ATOM 0 HB2 PRO A 25 -9.350 -9.420 -1.751 1.00 72.33 H new ATOM 0 HB3 PRO A 25 -10.589 -10.503 -1.149 1.00 72.33 H new ATOM 0 HG2 PRO A 25 -11.283 -8.278 -2.434 1.00 10.12 H new ATOM 0 HG3 PRO A 25 -12.215 -8.815 -1.050 1.00 10.12 H new ATOM 0 HD2 PRO A 25 -10.149 -6.623 -1.198 1.00 61.21 H new ATOM 0 HD3 PRO A 25 -11.682 -6.634 -0.349 1.00 61.21 H new ATOM 364 N LYS A 26 -7.813 -10.421 1.127 1.00 11.23 N ATOM 365 CA LYS A 26 -6.403 -10.659 1.376 1.00 24.12 C ATOM 366 C LYS A 26 -5.623 -10.935 0.105 1.00 62.43 C ATOM 367 O LYS A 26 -4.410 -10.877 0.099 1.00 65.32 O ATOM 368 CB LYS A 26 -6.204 -11.764 2.394 1.00 0.22 C ATOM 369 CG LYS A 26 -6.778 -11.419 3.759 1.00 32.12 C ATOM 370 CD LYS A 26 -6.415 -12.457 4.788 1.00 2.33 C ATOM 371 CE LYS A 26 -7.018 -13.824 4.482 1.00 35.25 C ATOM 372 NZ LYS A 26 -6.588 -14.846 5.463 1.00 50.42 N ATOM 0 H LYS A 26 -8.428 -11.164 1.458 1.00 11.23 H new ATOM 0 HA LYS A 26 -6.001 -9.736 1.793 1.00 24.12 H new ATOM 0 HB2 LYS A 26 -6.673 -12.677 2.028 1.00 0.22 H new ATOM 0 HB3 LYS A 26 -5.139 -11.971 2.495 1.00 0.22 H new ATOM 0 HG2 LYS A 26 -6.406 -10.445 4.076 1.00 32.12 H new ATOM 0 HG3 LYS A 26 -7.863 -11.338 3.689 1.00 32.12 H new ATOM 0 HD2 LYS A 26 -5.330 -12.547 4.841 1.00 2.33 H new ATOM 0 HD3 LYS A 26 -6.756 -12.125 5.769 1.00 2.33 H new ATOM 0 HE2 LYS A 26 -8.106 -13.751 4.486 1.00 35.25 H new ATOM 0 HE3 LYS A 26 -6.723 -14.135 3.480 1.00 35.25 H new ATOM 0 HZ1 LYS A 26 -7.032 -15.758 5.232 1.00 50.42 H new ATOM 0 HZ2 LYS A 26 -5.553 -14.946 5.429 1.00 50.42 H new ATOM 0 HZ3 LYS A 26 -6.876 -14.553 6.418 1.00 50.42 H new ATOM 386 N THR A 27 -6.330 -11.219 -0.968 1.00 24.33 N ATOM 387 CA THR A 27 -5.708 -11.456 -2.252 1.00 33.03 C ATOM 388 C THR A 27 -5.262 -10.145 -2.906 1.00 24.43 C ATOM 389 O THR A 27 -4.470 -10.134 -3.850 1.00 22.34 O ATOM 390 CB THR A 27 -6.681 -12.197 -3.160 1.00 24.41 C ATOM 391 OG1 THR A 27 -7.997 -11.600 -3.041 1.00 55.02 O ATOM 392 CG2 THR A 27 -6.739 -13.676 -2.821 1.00 32.14 C ATOM 0 H THR A 27 -7.347 -11.292 -0.975 1.00 24.33 H new ATOM 0 HA THR A 27 -4.818 -12.066 -2.097 1.00 33.03 H new ATOM 0 HB THR A 27 -6.331 -12.110 -4.189 1.00 24.41 H new ATOM 0 HG1 THR A 27 -8.625 -12.074 -3.625 1.00 55.02 H new ATOM 0 HG21 THR A 27 -7.443 -14.175 -3.488 1.00 32.14 H new ATOM 0 HG22 THR A 27 -5.749 -14.116 -2.943 1.00 32.14 H new ATOM 0 HG23 THR A 27 -7.067 -13.800 -1.789 1.00 32.14 H new ATOM 400 N ASP A 28 -5.774 -9.058 -2.389 1.00 72.11 N ATOM 401 CA ASP A 28 -5.383 -7.728 -2.807 1.00 62.43 C ATOM 402 C ASP A 28 -4.288 -7.284 -1.893 1.00 11.43 C ATOM 403 O ASP A 28 -4.369 -7.533 -0.698 1.00 45.10 O ATOM 404 CB ASP A 28 -6.566 -6.745 -2.701 1.00 62.34 C ATOM 405 CG ASP A 28 -7.698 -7.045 -3.661 1.00 52.22 C ATOM 406 OD1 ASP A 28 -8.454 -8.018 -3.444 1.00 13.12 O ATOM 407 OD2 ASP A 28 -7.844 -6.320 -4.654 1.00 51.45 O ATOM 0 H ASP A 28 -6.484 -9.067 -1.656 1.00 72.11 H new ATOM 0 HA ASP A 28 -5.057 -7.745 -3.847 1.00 62.43 H new ATOM 0 HB2 ASP A 28 -6.952 -6.764 -1.682 1.00 62.34 H new ATOM 0 HB3 ASP A 28 -6.204 -5.734 -2.886 1.00 62.34 H new ATOM 412 N SER A 29 -3.271 -6.626 -2.406 1.00 41.12 N ATOM 413 CA SER A 29 -2.197 -6.225 -1.560 1.00 41.13 C ATOM 414 C SER A 29 -2.446 -4.811 -1.110 1.00 62.12 C ATOM 415 O SER A 29 -3.466 -4.241 -1.463 1.00 5.25 O ATOM 416 CB SER A 29 -0.856 -6.427 -2.254 1.00 44.41 C ATOM 417 OG SER A 29 -0.644 -7.804 -2.524 1.00 31.34 O ATOM 0 H SER A 29 -3.176 -6.367 -3.388 1.00 41.12 H new ATOM 0 HA SER A 29 -2.151 -6.850 -0.668 1.00 41.13 H new ATOM 0 HB2 SER A 29 -0.831 -5.859 -3.184 1.00 44.41 H new ATOM 0 HB3 SER A 29 -0.052 -6.045 -1.625 1.00 44.41 H new ATOM 0 HG SER A 29 0.220 -7.920 -2.971 1.00 31.34 H new ATOM 423 N LEU A 30 -1.575 -4.233 -0.350 1.00 42.35 N ATOM 424 CA LEU A 30 -1.883 -2.941 0.169 1.00 42.22 C ATOM 425 C LEU A 30 -0.645 -2.067 0.082 1.00 32.23 C ATOM 426 O LEU A 30 0.450 -2.535 0.326 1.00 3.21 O ATOM 427 CB LEU A 30 -2.356 -3.142 1.619 1.00 52.51 C ATOM 428 CG LEU A 30 -3.177 -2.041 2.280 1.00 11.43 C ATOM 429 CD1 LEU A 30 -3.645 -2.509 3.630 1.00 52.11 C ATOM 430 CD2 LEU A 30 -2.408 -0.754 2.399 1.00 13.34 C ATOM 0 H LEU A 30 -0.670 -4.620 -0.080 1.00 42.35 H new ATOM 0 HA LEU A 30 -2.669 -2.441 -0.397 1.00 42.22 H new ATOM 0 HB2 LEU A 30 -2.946 -4.058 1.650 1.00 52.51 H new ATOM 0 HB3 LEU A 30 -1.472 -3.310 2.235 1.00 52.51 H new ATOM 0 HG LEU A 30 -4.039 -1.833 1.646 1.00 11.43 H new ATOM 0 HD11 LEU A 30 -4.232 -1.723 4.104 1.00 52.11 H new ATOM 0 HD12 LEU A 30 -4.260 -3.401 3.513 1.00 52.11 H new ATOM 0 HD13 LEU A 30 -2.782 -2.743 4.253 1.00 52.11 H new ATOM 0 HD21 LEU A 30 -3.033 0.001 2.876 1.00 13.34 H new ATOM 0 HD22 LEU A 30 -1.515 -0.918 3.001 1.00 13.34 H new ATOM 0 HD23 LEU A 30 -2.118 -0.410 1.406 1.00 13.34 H new ATOM 442 N ALA A 31 -0.831 -0.810 -0.258 1.00 20.12 N ATOM 443 CA ALA A 31 0.274 0.120 -0.404 1.00 72.34 C ATOM 444 C ALA A 31 -0.058 1.503 0.185 1.00 45.34 C ATOM 445 O ALA A 31 -1.205 1.930 0.179 1.00 33.30 O ATOM 446 CB ALA A 31 0.643 0.245 -1.875 1.00 14.32 C ATOM 0 H ALA A 31 -1.748 -0.402 -0.441 1.00 20.12 H new ATOM 0 HA ALA A 31 1.123 -0.273 0.155 1.00 72.34 H new ATOM 0 HB1 ALA A 31 1.473 0.943 -1.984 1.00 14.32 H new ATOM 0 HB2 ALA A 31 0.937 -0.731 -2.260 1.00 14.32 H new ATOM 0 HB3 ALA A 31 -0.216 0.612 -2.436 1.00 14.32 H new ATOM 452 N HIS A 32 0.956 2.159 0.745 1.00 72.05 N ATOM 453 CA HIS A 32 0.868 3.542 1.273 1.00 10.40 C ATOM 454 C HIS A 32 2.276 4.042 1.565 1.00 1.40 C ATOM 455 O HIS A 32 3.207 3.257 1.533 1.00 24.31 O ATOM 456 CB HIS A 32 -0.031 3.670 2.538 1.00 72.11 C ATOM 457 CG HIS A 32 0.420 2.858 3.706 1.00 54.11 C ATOM 458 ND1 HIS A 32 1.354 3.297 4.625 1.00 75.20 N ATOM 459 CD2 HIS A 32 0.077 1.613 4.086 1.00 73.52 C ATOM 460 CE1 HIS A 32 1.569 2.349 5.505 1.00 50.12 C ATOM 461 NE2 HIS A 32 0.812 1.317 5.204 1.00 32.54 N ATOM 0 H HIS A 32 1.883 1.748 0.852 1.00 72.05 H new ATOM 0 HA HIS A 32 0.389 4.156 0.510 1.00 10.40 H new ATOM 0 HB2 HIS A 32 -0.071 4.718 2.835 1.00 72.11 H new ATOM 0 HB3 HIS A 32 -1.047 3.374 2.277 1.00 72.11 H new ATOM 0 HD2 HIS A 32 -0.642 0.969 3.601 1.00 73.52 H new ATOM 0 HE1 HIS A 32 2.254 2.406 6.338 1.00 50.12 H new ATOM 0 HE2 HIS A 32 0.777 0.438 5.720 1.00 32.54 H new ATOM 470 N CYS A 33 2.423 5.307 1.884 1.00 51.01 N ATOM 471 CA CYS A 33 3.744 5.891 2.103 1.00 31.43 C ATOM 472 C CYS A 33 4.089 6.009 3.589 1.00 13.15 C ATOM 473 O CYS A 33 3.190 6.161 4.432 1.00 42.15 O ATOM 474 CB CYS A 33 3.797 7.263 1.439 1.00 5.41 C ATOM 475 SG CYS A 33 2.481 8.381 1.986 1.00 73.21 S ATOM 0 H CYS A 33 1.648 5.960 2.000 1.00 51.01 H new ATOM 0 HA CYS A 33 4.485 5.227 1.659 1.00 31.43 H new ATOM 0 HB2 CYS A 33 4.763 7.722 1.648 1.00 5.41 H new ATOM 0 HB3 CYS A 33 3.731 7.138 0.358 1.00 5.41 H new ATOM 0 HG CYS A 33 2.600 9.523 1.376 1.00 73.21 H new ATOM 481 N ILE A 34 5.388 5.876 3.899 1.00 71.13 N ATOM 482 CA ILE A 34 5.941 6.024 5.246 1.00 60.40 C ATOM 483 C ILE A 34 7.330 6.645 5.122 1.00 3.31 C ATOM 484 O ILE A 34 7.849 6.801 4.009 1.00 31.24 O ATOM 485 CB ILE A 34 6.094 4.701 6.045 1.00 32.13 C ATOM 486 CG1 ILE A 34 7.104 3.786 5.379 1.00 52.21 C ATOM 487 CG2 ILE A 34 4.760 4.006 6.227 1.00 42.15 C ATOM 488 CD1 ILE A 34 7.480 2.590 6.213 1.00 43.53 C ATOM 0 H ILE A 34 6.097 5.657 3.199 1.00 71.13 H new ATOM 0 HA ILE A 34 5.229 6.640 5.796 1.00 60.40 H new ATOM 0 HB ILE A 34 6.467 4.951 7.038 1.00 32.13 H new ATOM 0 HG12 ILE A 34 6.697 3.441 4.428 1.00 52.21 H new ATOM 0 HG13 ILE A 34 8.004 4.357 5.152 1.00 52.21 H new ATOM 0 HG21 ILE A 34 4.904 3.084 6.790 1.00 42.15 H new ATOM 0 HG22 ILE A 34 4.080 4.661 6.771 1.00 42.15 H new ATOM 0 HG23 ILE A 34 4.335 3.772 5.251 1.00 42.15 H new ATOM 0 HD11 ILE A 34 8.205 1.983 5.672 1.00 43.53 H new ATOM 0 HD12 ILE A 34 7.917 2.925 7.154 1.00 43.53 H new ATOM 0 HD13 ILE A 34 6.590 1.995 6.418 1.00 43.53 H new ATOM 500 N SER A 35 7.912 7.015 6.230 1.00 65.34 N ATOM 501 CA SER A 35 9.243 7.553 6.220 1.00 43.14 C ATOM 502 C SER A 35 10.281 6.423 6.363 1.00 54.41 C ATOM 503 O SER A 35 9.988 5.372 6.951 1.00 10.04 O ATOM 504 CB SER A 35 9.396 8.563 7.348 1.00 25.32 C ATOM 505 OG SER A 35 9.123 7.981 8.620 1.00 65.44 O ATOM 0 H SER A 35 7.483 6.953 7.153 1.00 65.34 H new ATOM 0 HA SER A 35 9.416 8.056 5.268 1.00 43.14 H new ATOM 0 HB2 SER A 35 10.409 8.964 7.342 1.00 25.32 H new ATOM 0 HB3 SER A 35 8.720 9.401 7.179 1.00 25.32 H new ATOM 0 HG SER A 35 8.630 8.622 9.174 1.00 65.44 H new ATOM 511 N GLU A 36 11.488 6.644 5.845 1.00 2.02 N ATOM 512 CA GLU A 36 12.577 5.656 5.930 1.00 13.22 C ATOM 513 C GLU A 36 13.084 5.469 7.346 1.00 32.23 C ATOM 514 O GLU A 36 13.730 4.471 7.654 1.00 43.32 O ATOM 515 CB GLU A 36 13.739 6.009 5.007 1.00 70.23 C ATOM 516 CG GLU A 36 14.251 7.406 5.136 1.00 2.22 C ATOM 517 CD GLU A 36 15.475 7.629 4.310 1.00 43.31 C ATOM 518 OE1 GLU A 36 15.355 8.009 3.130 1.00 54.43 O ATOM 519 OE2 GLU A 36 16.588 7.423 4.835 1.00 2.43 O ATOM 0 H GLU A 36 11.743 7.503 5.358 1.00 2.02 H new ATOM 0 HA GLU A 36 12.144 4.711 5.601 1.00 13.22 H new ATOM 0 HB2 GLU A 36 14.560 5.319 5.202 1.00 70.23 H new ATOM 0 HB3 GLU A 36 13.425 5.848 3.976 1.00 70.23 H new ATOM 0 HG2 GLU A 36 13.474 8.107 4.831 1.00 2.22 H new ATOM 0 HG3 GLU A 36 14.476 7.615 6.182 1.00 2.22 H new ATOM 526 N ASP A 37 12.804 6.429 8.194 1.00 74.54 N ATOM 527 CA ASP A 37 13.214 6.347 9.584 1.00 75.25 C ATOM 528 C ASP A 37 12.071 5.733 10.399 1.00 3.32 C ATOM 529 O ASP A 37 12.208 5.428 11.580 1.00 22.33 O ATOM 530 CB ASP A 37 13.582 7.749 10.096 1.00 4.43 C ATOM 531 CG ASP A 37 14.204 7.753 11.472 1.00 4.12 C ATOM 532 OD1 ASP A 37 15.426 7.476 11.580 1.00 33.02 O ATOM 533 OD2 ASP A 37 13.501 8.046 12.462 1.00 44.20 O ATOM 0 H ASP A 37 12.294 7.278 7.951 1.00 74.54 H new ATOM 0 HA ASP A 37 14.095 5.713 9.687 1.00 75.25 H new ATOM 0 HB2 ASP A 37 14.275 8.212 9.393 1.00 4.43 H new ATOM 0 HB3 ASP A 37 12.684 8.367 10.112 1.00 4.43 H new ATOM 538 N CYS A 38 10.933 5.554 9.721 1.00 13.13 N ATOM 539 CA CYS A 38 9.715 4.961 10.273 1.00 13.21 C ATOM 540 C CYS A 38 9.095 5.757 11.422 1.00 14.43 C ATOM 541 O CYS A 38 8.164 5.280 12.078 1.00 75.52 O ATOM 542 CB CYS A 38 9.916 3.491 10.640 1.00 41.02 C ATOM 543 SG CYS A 38 10.306 2.444 9.223 1.00 21.32 S ATOM 0 H CYS A 38 10.833 5.827 8.743 1.00 13.13 H new ATOM 0 HA CYS A 38 8.982 5.008 9.467 1.00 13.21 H new ATOM 0 HB2 CYS A 38 10.720 3.414 11.371 1.00 41.02 H new ATOM 0 HB3 CYS A 38 9.012 3.117 11.120 1.00 41.02 H new ATOM 0 HG CYS A 38 9.299 1.662 8.971 1.00 21.32 H new ATOM 549 N ARG A 39 9.601 6.956 11.675 1.00 34.53 N ATOM 550 CA ARG A 39 8.972 7.812 12.634 1.00 32.35 C ATOM 551 C ARG A 39 7.668 8.368 12.066 1.00 44.52 C ATOM 552 O ARG A 39 7.659 9.103 11.060 1.00 30.23 O ATOM 553 CB ARG A 39 9.941 8.849 13.251 1.00 44.23 C ATOM 554 CG ARG A 39 10.712 9.730 12.301 1.00 13.24 C ATOM 555 CD ARG A 39 9.865 10.814 11.672 1.00 14.53 C ATOM 556 NE ARG A 39 9.379 11.796 12.645 1.00 74.43 N ATOM 557 CZ ARG A 39 8.136 12.301 12.676 1.00 32.23 C ATOM 558 NH1 ARG A 39 7.180 11.782 11.906 1.00 35.01 N ATOM 559 NH2 ARG A 39 7.842 13.281 13.518 1.00 30.13 N ATOM 0 H ARG A 39 10.434 7.342 11.230 1.00 34.53 H new ATOM 0 HA ARG A 39 8.685 7.222 13.505 1.00 32.35 H new ATOM 0 HB2 ARG A 39 9.366 9.493 13.916 1.00 44.23 H new ATOM 0 HB3 ARG A 39 10.659 8.312 13.870 1.00 44.23 H new ATOM 0 HG2 ARG A 39 11.542 10.191 12.836 1.00 13.24 H new ATOM 0 HG3 ARG A 39 11.144 9.113 11.513 1.00 13.24 H new ATOM 0 HD2 ARG A 39 10.449 11.326 10.907 1.00 14.53 H new ATOM 0 HD3 ARG A 39 9.013 10.356 11.169 1.00 14.53 H new ATOM 0 HE ARG A 39 10.037 12.121 13.354 1.00 74.43 H new ATOM 0 HH11 ARG A 39 7.392 10.997 11.290 1.00 35.01 H new ATOM 0 HH12 ARG A 39 6.237 12.169 11.933 1.00 35.01 H new ATOM 0 HH21 ARG A 39 8.560 13.650 14.141 1.00 30.13 H new ATOM 0 HH22 ARG A 39 6.898 13.666 13.543 1.00 30.13 H new ATOM 573 N MET A 40 6.580 7.958 12.650 1.00 55.13 N ATOM 574 CA MET A 40 5.260 8.298 12.155 1.00 15.12 C ATOM 575 C MET A 40 4.214 8.147 13.250 1.00 42.42 C ATOM 576 O MET A 40 3.953 7.046 13.737 1.00 5.21 O ATOM 577 CB MET A 40 4.936 7.428 10.917 1.00 14.33 C ATOM 578 CG MET A 40 5.118 5.969 11.127 1.00 34.44 C ATOM 579 SD MET A 40 4.921 5.068 9.606 1.00 62.04 S ATOM 580 CE MET A 40 5.318 3.458 10.189 1.00 52.11 C ATOM 0 H MET A 40 6.574 7.375 13.487 1.00 55.13 H new ATOM 0 HA MET A 40 5.244 9.344 11.850 1.00 15.12 H new ATOM 0 HB2 MET A 40 3.904 7.614 10.618 1.00 14.33 H new ATOM 0 HB3 MET A 40 5.570 7.745 10.089 1.00 14.33 H new ATOM 0 HG2 MET A 40 6.109 5.779 11.539 1.00 34.44 H new ATOM 0 HG3 MET A 40 4.395 5.612 11.860 1.00 34.44 H new ATOM 0 HE1 MET A 40 5.579 2.820 9.345 1.00 52.11 H new ATOM 0 HE2 MET A 40 6.164 3.517 10.874 1.00 52.11 H new ATOM 0 HE3 MET A 40 4.458 3.037 10.710 1.00 52.11 H new ATOM 590 N GLY A 41 3.635 9.253 13.642 1.00 13.24 N ATOM 591 CA GLY A 41 2.677 9.248 14.723 1.00 62.24 C ATOM 592 C GLY A 41 1.257 9.388 14.241 1.00 35.13 C ATOM 593 O GLY A 41 0.310 9.238 15.023 1.00 21.31 O ATOM 0 H GLY A 41 3.809 10.170 13.230 1.00 13.24 H new ATOM 0 HA2 GLY A 41 2.775 8.320 15.286 1.00 62.24 H new ATOM 0 HA3 GLY A 41 2.906 10.063 15.409 1.00 62.24 H new ATOM 597 N ALA A 42 1.098 9.673 12.973 1.00 70.42 N ATOM 598 CA ALA A 42 -0.216 9.819 12.386 1.00 71.14 C ATOM 599 C ALA A 42 -0.226 9.257 10.983 1.00 54.24 C ATOM 600 O ALA A 42 0.822 9.182 10.320 1.00 20.41 O ATOM 601 CB ALA A 42 -0.653 11.280 12.389 1.00 42.13 C ATOM 0 H ALA A 42 1.869 9.810 12.319 1.00 70.42 H new ATOM 0 HA ALA A 42 -0.929 9.257 12.989 1.00 71.14 H new ATOM 0 HB1 ALA A 42 -1.644 11.364 11.943 1.00 42.13 H new ATOM 0 HB2 ALA A 42 -0.684 11.648 13.414 1.00 42.13 H new ATOM 0 HB3 ALA A 42 0.056 11.873 11.812 1.00 42.13 H new ATOM 607 N GLY A 43 -1.379 8.841 10.548 1.00 32.43 N ATOM 608 CA GLY A 43 -1.520 8.278 9.242 1.00 72.53 C ATOM 609 C GLY A 43 -2.048 6.884 9.332 1.00 42.41 C ATOM 610 O GLY A 43 -2.102 6.304 10.431 1.00 71.53 O ATOM 0 H GLY A 43 -2.244 8.883 11.088 1.00 32.43 H new ATOM 0 HA2 GLY A 43 -2.195 8.892 8.645 1.00 72.53 H new ATOM 0 HA3 GLY A 43 -0.556 8.277 8.733 1.00 72.53 H new ATOM 614 N ILE A 44 -2.423 6.313 8.204 1.00 64.13 N ATOM 615 CA ILE A 44 -2.960 4.963 8.186 1.00 1.12 C ATOM 616 C ILE A 44 -1.867 3.959 8.584 1.00 21.51 C ATOM 617 O ILE A 44 -2.145 2.849 9.037 1.00 60.13 O ATOM 618 CB ILE A 44 -3.555 4.601 6.801 1.00 44.22 C ATOM 619 CG1 ILE A 44 -4.273 3.255 6.869 1.00 14.34 C ATOM 620 CG2 ILE A 44 -2.475 4.586 5.719 1.00 25.23 C ATOM 621 CD1 ILE A 44 -4.919 2.862 5.594 1.00 73.22 C ATOM 0 H ILE A 44 -2.367 6.760 7.289 1.00 64.13 H new ATOM 0 HA ILE A 44 -3.772 4.914 8.911 1.00 1.12 H new ATOM 0 HB ILE A 44 -4.280 5.370 6.532 1.00 44.22 H new ATOM 0 HG12 ILE A 44 -3.557 2.485 7.156 1.00 14.34 H new ATOM 0 HG13 ILE A 44 -5.030 3.295 7.653 1.00 14.34 H new ATOM 0 HG21 ILE A 44 -2.924 4.329 4.760 1.00 25.23 H new ATOM 0 HG22 ILE A 44 -2.014 5.571 5.651 1.00 25.23 H new ATOM 0 HG23 ILE A 44 -1.715 3.847 5.973 1.00 25.23 H new ATOM 0 HD11 ILE A 44 -5.409 1.896 5.717 1.00 73.22 H new ATOM 0 HD12 ILE A 44 -5.659 3.612 5.315 1.00 73.22 H new ATOM 0 HD13 ILE A 44 -4.164 2.789 4.811 1.00 73.22 H new ATOM 633 N ALA A 45 -0.611 4.392 8.446 1.00 13.24 N ATOM 634 CA ALA A 45 0.549 3.595 8.798 1.00 55.41 C ATOM 635 C ALA A 45 0.553 3.224 10.279 1.00 11.04 C ATOM 636 O ALA A 45 1.145 2.216 10.669 1.00 63.31 O ATOM 637 CB ALA A 45 1.815 4.342 8.447 1.00 4.44 C ATOM 0 H ALA A 45 -0.377 5.316 8.083 1.00 13.24 H new ATOM 0 HA ALA A 45 0.502 2.669 8.225 1.00 55.41 H new ATOM 0 HB1 ALA A 45 2.681 3.736 8.715 1.00 4.44 H new ATOM 0 HB2 ALA A 45 1.832 4.546 7.376 1.00 4.44 H new ATOM 0 HB3 ALA A 45 1.847 5.283 8.996 1.00 4.44 H new ATOM 643 N VAL A 46 -0.123 4.026 11.098 1.00 35.42 N ATOM 644 CA VAL A 46 -0.204 3.765 12.522 1.00 52.35 C ATOM 645 C VAL A 46 -0.930 2.437 12.786 1.00 45.12 C ATOM 646 O VAL A 46 -0.543 1.679 13.668 1.00 24.21 O ATOM 647 CB VAL A 46 -0.856 4.948 13.303 1.00 25.33 C ATOM 648 CG1 VAL A 46 -0.992 4.627 14.785 1.00 52.31 C ATOM 649 CG2 VAL A 46 -0.012 6.194 13.131 1.00 30.25 C ATOM 0 H VAL A 46 -0.622 4.862 10.794 1.00 35.42 H new ATOM 0 HA VAL A 46 0.814 3.675 12.900 1.00 52.35 H new ATOM 0 HB VAL A 46 -1.854 5.113 12.898 1.00 25.33 H new ATOM 0 HG11 VAL A 46 -1.450 5.472 15.300 1.00 52.31 H new ATOM 0 HG12 VAL A 46 -1.618 3.744 14.910 1.00 52.31 H new ATOM 0 HG13 VAL A 46 -0.006 4.436 15.208 1.00 52.31 H new ATOM 0 HG21 VAL A 46 -0.468 7.020 13.677 1.00 30.25 H new ATOM 0 HG22 VAL A 46 0.990 6.011 13.519 1.00 30.25 H new ATOM 0 HG23 VAL A 46 0.050 6.448 12.073 1.00 30.25 H new ATOM 659 N LEU A 47 -1.929 2.141 11.966 1.00 13.44 N ATOM 660 CA LEU A 47 -2.680 0.885 12.067 1.00 2.12 C ATOM 661 C LEU A 47 -1.777 -0.312 11.781 1.00 31.31 C ATOM 662 O LEU A 47 -1.953 -1.390 12.340 1.00 72.42 O ATOM 663 CB LEU A 47 -3.864 0.886 11.096 1.00 21.30 C ATOM 664 CG LEU A 47 -4.953 1.925 11.352 1.00 41.34 C ATOM 665 CD1 LEU A 47 -5.984 1.895 10.237 1.00 4.43 C ATOM 666 CD2 LEU A 47 -5.634 1.647 12.676 1.00 71.20 C ATOM 0 H LEU A 47 -2.244 2.756 11.216 1.00 13.44 H new ATOM 0 HA LEU A 47 -3.058 0.802 13.086 1.00 2.12 H new ATOM 0 HB2 LEU A 47 -3.478 1.037 10.088 1.00 21.30 H new ATOM 0 HB3 LEU A 47 -4.323 -0.102 11.117 1.00 21.30 H new ATOM 0 HG LEU A 47 -4.490 2.911 11.383 1.00 41.34 H new ATOM 0 HD11 LEU A 47 -6.754 2.641 10.433 1.00 4.43 H new ATOM 0 HD12 LEU A 47 -5.498 2.116 9.286 1.00 4.43 H new ATOM 0 HD13 LEU A 47 -6.440 0.906 10.190 1.00 4.43 H new ATOM 0 HD21 LEU A 47 -6.409 2.393 12.850 1.00 71.20 H new ATOM 0 HD22 LEU A 47 -6.084 0.655 12.652 1.00 71.20 H new ATOM 0 HD23 LEU A 47 -4.899 1.693 13.480 1.00 71.20 H new ATOM 678 N PHE A 48 -0.797 -0.104 10.927 1.00 15.44 N ATOM 679 CA PHE A 48 0.144 -1.148 10.572 1.00 42.11 C ATOM 680 C PHE A 48 1.132 -1.374 11.692 1.00 35.22 C ATOM 681 O PHE A 48 1.559 -2.505 11.942 1.00 4.44 O ATOM 682 CB PHE A 48 0.849 -0.828 9.257 1.00 15.33 C ATOM 683 CG PHE A 48 -0.081 -0.831 8.082 1.00 65.25 C ATOM 684 CD1 PHE A 48 -0.913 0.241 7.839 1.00 51.54 C ATOM 685 CD2 PHE A 48 -0.136 -1.916 7.234 1.00 34.21 C ATOM 686 CE1 PHE A 48 -1.776 0.232 6.773 1.00 32.40 C ATOM 687 CE2 PHE A 48 -1.000 -1.930 6.165 1.00 4.51 C ATOM 688 CZ PHE A 48 -1.820 -0.849 5.939 1.00 42.14 C ATOM 0 H PHE A 48 -0.630 0.788 10.461 1.00 15.44 H new ATOM 0 HA PHE A 48 -0.411 -2.075 10.424 1.00 42.11 H new ATOM 0 HB2 PHE A 48 1.326 0.149 9.334 1.00 15.33 H new ATOM 0 HB3 PHE A 48 1.642 -1.557 9.089 1.00 15.33 H new ATOM 0 HD1 PHE A 48 -0.885 1.098 8.496 1.00 51.54 H new ATOM 0 HD2 PHE A 48 0.507 -2.765 7.411 1.00 34.21 H new ATOM 0 HE1 PHE A 48 -2.421 1.080 6.593 1.00 32.40 H new ATOM 0 HE2 PHE A 48 -1.035 -2.785 5.506 1.00 4.51 H new ATOM 0 HZ PHE A 48 -2.500 -0.855 5.100 1.00 42.14 H new ATOM 698 N LYS A 49 1.490 -0.299 12.381 1.00 75.34 N ATOM 699 CA LYS A 49 2.336 -0.411 13.548 1.00 73.45 C ATOM 700 C LYS A 49 1.588 -1.144 14.635 1.00 41.01 C ATOM 701 O LYS A 49 2.144 -1.974 15.344 1.00 32.43 O ATOM 702 CB LYS A 49 2.733 0.940 14.073 1.00 22.54 C ATOM 703 CG LYS A 49 3.481 1.802 13.093 1.00 54.32 C ATOM 704 CD LYS A 49 4.130 2.947 13.815 1.00 33.12 C ATOM 705 CE LYS A 49 3.112 3.828 14.537 1.00 24.43 C ATOM 706 NZ LYS A 49 3.762 4.867 15.352 1.00 15.33 N ATOM 0 H LYS A 49 1.207 0.653 12.149 1.00 75.34 H new ATOM 0 HA LYS A 49 3.237 -0.952 13.259 1.00 73.45 H new ATOM 0 HB2 LYS A 49 1.835 1.470 14.390 1.00 22.54 H new ATOM 0 HB3 LYS A 49 3.351 0.802 14.960 1.00 22.54 H new ATOM 0 HG2 LYS A 49 4.237 1.210 12.577 1.00 54.32 H new ATOM 0 HG3 LYS A 49 2.798 2.180 12.332 1.00 54.32 H new ATOM 0 HD2 LYS A 49 4.848 2.558 14.537 1.00 33.12 H new ATOM 0 HD3 LYS A 49 4.691 3.552 13.103 1.00 33.12 H new ATOM 0 HE2 LYS A 49 2.456 4.299 13.805 1.00 24.43 H new ATOM 0 HE3 LYS A 49 2.483 3.207 15.175 1.00 24.43 H new ATOM 0 HZ1 LYS A 49 3.304 4.914 16.285 1.00 15.33 H new ATOM 0 HZ2 LYS A 49 4.769 4.635 15.472 1.00 15.33 H new ATOM 0 HZ3 LYS A 49 3.673 5.788 14.876 1.00 15.33 H new ATOM 720 N LYS A 50 0.314 -0.827 14.741 1.00 51.13 N ATOM 721 CA LYS A 50 -0.559 -1.428 15.706 1.00 71.22 C ATOM 722 C LYS A 50 -0.788 -2.905 15.470 1.00 33.02 C ATOM 723 O LYS A 50 -0.609 -3.712 16.377 1.00 74.23 O ATOM 724 CB LYS A 50 -1.858 -0.681 15.743 1.00 21.02 C ATOM 725 CG LYS A 50 -1.687 0.648 16.419 1.00 11.11 C ATOM 726 CD LYS A 50 -2.880 1.518 16.273 1.00 72.30 C ATOM 727 CE LYS A 50 -4.150 0.882 16.813 1.00 33.04 C ATOM 728 NZ LYS A 50 -5.302 1.804 16.731 1.00 13.42 N ATOM 0 H LYS A 50 -0.142 -0.134 14.147 1.00 51.13 H new ATOM 0 HA LYS A 50 -0.066 -1.358 16.676 1.00 71.22 H new ATOM 0 HB2 LYS A 50 -2.227 -0.533 14.728 1.00 21.02 H new ATOM 0 HB3 LYS A 50 -2.607 -1.270 16.272 1.00 21.02 H new ATOM 0 HG2 LYS A 50 -1.484 0.490 17.478 1.00 11.11 H new ATOM 0 HG3 LYS A 50 -0.818 1.156 16.001 1.00 11.11 H new ATOM 0 HD2 LYS A 50 -2.702 2.459 16.793 1.00 72.30 H new ATOM 0 HD3 LYS A 50 -3.021 1.758 15.219 1.00 72.30 H new ATOM 0 HE2 LYS A 50 -4.370 -0.025 16.251 1.00 33.04 H new ATOM 0 HE3 LYS A 50 -3.995 0.585 17.850 1.00 33.04 H new ATOM 0 HZ1 LYS A 50 -6.150 1.335 17.109 1.00 13.42 H new ATOM 0 HZ2 LYS A 50 -5.103 2.659 17.288 1.00 13.42 H new ATOM 0 HZ3 LYS A 50 -5.465 2.068 15.738 1.00 13.42 H new ATOM 742 N LYS A 51 -1.153 -3.273 14.251 1.00 50.33 N ATOM 743 CA LYS A 51 -1.449 -4.647 13.960 1.00 5.41 C ATOM 744 C LYS A 51 -0.225 -5.507 13.668 1.00 15.31 C ATOM 745 O LYS A 51 -0.117 -6.619 14.188 1.00 24.23 O ATOM 746 CB LYS A 51 -2.445 -4.770 12.826 1.00 11.35 C ATOM 747 CG LYS A 51 -3.797 -4.156 13.118 1.00 51.35 C ATOM 748 CD LYS A 51 -4.764 -4.489 12.016 1.00 63.55 C ATOM 749 CE LYS A 51 -6.132 -3.870 12.255 1.00 14.42 C ATOM 750 NZ LYS A 51 -7.139 -4.314 11.269 1.00 2.03 N ATOM 0 H LYS A 51 -1.248 -2.636 13.460 1.00 50.33 H new ATOM 0 HA LYS A 51 -1.887 -5.036 14.879 1.00 5.41 H new ATOM 0 HB2 LYS A 51 -2.027 -4.296 11.938 1.00 11.35 H new ATOM 0 HB3 LYS A 51 -2.581 -5.825 12.590 1.00 11.35 H new ATOM 0 HG2 LYS A 51 -4.176 -4.528 14.070 1.00 51.35 H new ATOM 0 HG3 LYS A 51 -3.701 -3.074 13.214 1.00 51.35 H new ATOM 0 HD2 LYS A 51 -4.366 -4.135 11.065 1.00 63.55 H new ATOM 0 HD3 LYS A 51 -4.864 -5.571 11.936 1.00 63.55 H new ATOM 0 HE2 LYS A 51 -6.473 -4.128 13.258 1.00 14.42 H new ATOM 0 HE3 LYS A 51 -6.047 -2.784 12.217 1.00 14.42 H new ATOM 0 HZ1 LYS A 51 -8.067 -3.916 11.518 1.00 2.03 H new ATOM 0 HZ2 LYS A 51 -6.865 -3.986 10.321 1.00 2.03 H new ATOM 0 HZ3 LYS A 51 -7.195 -5.352 11.274 1.00 2.03 H new ATOM 764 N PHE A 52 0.705 -5.018 12.863 1.00 61.53 N ATOM 765 CA PHE A 52 1.808 -5.876 12.448 1.00 51.13 C ATOM 766 C PHE A 52 3.080 -5.620 13.232 1.00 11.42 C ATOM 767 O PHE A 52 3.918 -6.520 13.355 1.00 54.41 O ATOM 768 CB PHE A 52 2.095 -5.701 10.948 1.00 52.10 C ATOM 769 CG PHE A 52 0.911 -5.952 10.058 1.00 3.01 C ATOM 770 CD1 PHE A 52 0.321 -7.198 9.998 1.00 45.24 C ATOM 771 CD2 PHE A 52 0.386 -4.932 9.284 1.00 72.24 C ATOM 772 CE1 PHE A 52 -0.771 -7.425 9.183 1.00 3.10 C ATOM 773 CE2 PHE A 52 -0.702 -5.152 8.468 1.00 41.24 C ATOM 774 CZ PHE A 52 -1.283 -6.400 8.417 1.00 72.23 C ATOM 0 H PHE A 52 0.723 -4.067 12.494 1.00 61.53 H new ATOM 0 HA PHE A 52 1.492 -6.899 12.652 1.00 51.13 H new ATOM 0 HB2 PHE A 52 2.456 -4.687 10.775 1.00 52.10 H new ATOM 0 HB3 PHE A 52 2.899 -6.379 10.663 1.00 52.10 H new ATOM 0 HD1 PHE A 52 0.718 -8.005 10.595 1.00 45.24 H new ATOM 0 HD2 PHE A 52 0.835 -3.950 9.320 1.00 72.24 H new ATOM 0 HE1 PHE A 52 -1.223 -8.405 9.146 1.00 3.10 H new ATOM 0 HE2 PHE A 52 -1.099 -4.346 7.868 1.00 41.24 H new ATOM 0 HZ PHE A 52 -2.137 -6.575 7.779 1.00 72.23 H new ATOM 784 N GLY A 53 3.213 -4.414 13.785 1.00 12.14 N ATOM 785 CA GLY A 53 4.418 -4.048 14.543 1.00 23.50 C ATOM 786 C GLY A 53 5.703 -4.301 13.755 1.00 64.11 C ATOM 787 O GLY A 53 6.714 -4.733 14.309 1.00 14.32 O ATOM 0 H GLY A 53 2.510 -3.677 13.725 1.00 12.14 H new ATOM 0 HA2 GLY A 53 4.365 -2.994 14.817 1.00 23.50 H new ATOM 0 HA3 GLY A 53 4.447 -4.618 15.472 1.00 23.50 H new ATOM 791 N GLY A 54 5.666 -4.015 12.468 1.00 42.35 N ATOM 792 CA GLY A 54 6.791 -4.315 11.612 1.00 34.02 C ATOM 793 C GLY A 54 7.717 -3.148 11.405 1.00 51.00 C ATOM 794 O GLY A 54 8.361 -3.052 10.379 1.00 52.14 O ATOM 0 H GLY A 54 4.874 -3.578 11.997 1.00 42.35 H new ATOM 0 HA2 GLY A 54 7.354 -5.143 12.043 1.00 34.02 H new ATOM 0 HA3 GLY A 54 6.421 -4.651 10.643 1.00 34.02 H new ATOM 798 N VAL A 55 7.802 -2.271 12.388 1.00 34.44 N ATOM 799 CA VAL A 55 8.655 -1.091 12.298 1.00 31.21 C ATOM 800 C VAL A 55 10.130 -1.507 12.181 1.00 73.33 C ATOM 801 O VAL A 55 10.875 -0.982 11.352 1.00 54.24 O ATOM 802 CB VAL A 55 8.455 -0.167 13.526 1.00 14.45 C ATOM 803 CG1 VAL A 55 9.343 1.055 13.427 1.00 42.54 C ATOM 804 CG2 VAL A 55 6.999 0.253 13.645 1.00 14.00 C ATOM 0 H VAL A 55 7.288 -2.351 13.266 1.00 34.44 H new ATOM 0 HA VAL A 55 8.372 -0.535 11.404 1.00 31.21 H new ATOM 0 HB VAL A 55 8.733 -0.726 14.420 1.00 14.45 H new ATOM 0 HG11 VAL A 55 9.187 1.690 14.299 1.00 42.54 H new ATOM 0 HG12 VAL A 55 10.387 0.744 13.387 1.00 42.54 H new ATOM 0 HG13 VAL A 55 9.096 1.612 12.523 1.00 42.54 H new ATOM 0 HG21 VAL A 55 6.877 0.901 14.513 1.00 14.00 H new ATOM 0 HG22 VAL A 55 6.701 0.791 12.745 1.00 14.00 H new ATOM 0 HG23 VAL A 55 6.374 -0.632 13.763 1.00 14.00 H new ATOM 814 N GLN A 56 10.521 -2.473 12.994 1.00 71.30 N ATOM 815 CA GLN A 56 11.861 -3.010 12.975 1.00 24.21 C ATOM 816 C GLN A 56 12.122 -3.693 11.667 1.00 3.44 C ATOM 817 O GLN A 56 13.167 -3.516 11.085 1.00 62.43 O ATOM 818 CB GLN A 56 12.071 -3.976 14.145 1.00 50.02 C ATOM 819 CG GLN A 56 12.190 -3.357 15.552 1.00 54.43 C ATOM 820 CD GLN A 56 11.041 -2.443 15.941 1.00 22.23 C ATOM 821 OE1 GLN A 56 10.030 -2.885 16.476 1.00 32.03 O ATOM 822 NE2 GLN A 56 11.207 -1.163 15.706 1.00 71.04 N ATOM 0 H GLN A 56 9.911 -2.906 13.688 1.00 71.30 H new ATOM 0 HA GLN A 56 12.570 -2.189 13.085 1.00 24.21 H new ATOM 0 HB2 GLN A 56 11.240 -4.682 14.155 1.00 50.02 H new ATOM 0 HB3 GLN A 56 12.976 -4.552 13.951 1.00 50.02 H new ATOM 0 HG2 GLN A 56 12.260 -4.162 16.284 1.00 54.43 H new ATOM 0 HG3 GLN A 56 13.121 -2.793 15.609 1.00 54.43 H new ATOM 0 HE21 GLN A 56 12.062 -0.833 15.259 1.00 71.04 H new ATOM 0 HE22 GLN A 56 10.481 -0.498 15.971 1.00 71.04 H new ATOM 831 N GLU A 57 11.138 -4.435 11.194 1.00 63.34 N ATOM 832 CA GLU A 57 11.226 -5.138 9.921 1.00 75.20 C ATOM 833 C GLU A 57 11.531 -4.162 8.794 1.00 31.32 C ATOM 834 O GLU A 57 12.427 -4.397 7.990 1.00 32.23 O ATOM 835 CB GLU A 57 9.925 -5.891 9.637 1.00 25.41 C ATOM 836 CG GLU A 57 9.631 -6.998 10.627 1.00 23.11 C ATOM 837 CD GLU A 57 8.313 -7.681 10.377 1.00 61.45 C ATOM 838 OE1 GLU A 57 8.163 -8.364 9.336 1.00 21.12 O ATOM 839 OE2 GLU A 57 7.408 -7.578 11.241 1.00 35.32 O ATOM 0 H GLU A 57 10.252 -4.570 11.681 1.00 63.34 H new ATOM 0 HA GLU A 57 12.039 -5.861 9.981 1.00 75.20 H new ATOM 0 HB2 GLU A 57 9.097 -5.182 9.643 1.00 25.41 H new ATOM 0 HB3 GLU A 57 9.974 -6.316 8.635 1.00 25.41 H new ATOM 0 HG2 GLU A 57 10.430 -7.738 10.583 1.00 23.11 H new ATOM 0 HG3 GLU A 57 9.634 -6.585 11.636 1.00 23.11 H new ATOM 846 N LEU A 58 10.799 -3.066 8.772 1.00 63.42 N ATOM 847 CA LEU A 58 10.975 -2.014 7.777 1.00 25.31 C ATOM 848 C LEU A 58 12.368 -1.396 7.878 1.00 41.33 C ATOM 849 O LEU A 58 13.103 -1.319 6.879 1.00 34.24 O ATOM 850 CB LEU A 58 9.907 -0.942 7.978 1.00 73.34 C ATOM 851 CG LEU A 58 8.466 -1.418 7.834 1.00 32.10 C ATOM 852 CD1 LEU A 58 7.497 -0.307 8.174 1.00 52.33 C ATOM 853 CD2 LEU A 58 8.218 -1.935 6.432 1.00 73.44 C ATOM 0 H LEU A 58 10.059 -2.874 9.447 1.00 63.42 H new ATOM 0 HA LEU A 58 10.871 -2.450 6.783 1.00 25.31 H new ATOM 0 HB2 LEU A 58 10.032 -0.511 8.971 1.00 73.34 H new ATOM 0 HB3 LEU A 58 10.081 -0.141 7.259 1.00 73.34 H new ATOM 0 HG LEU A 58 8.303 -2.235 8.537 1.00 32.10 H new ATOM 0 HD11 LEU A 58 6.475 -0.669 8.064 1.00 52.33 H new ATOM 0 HD12 LEU A 58 7.659 0.015 9.203 1.00 52.33 H new ATOM 0 HD13 LEU A 58 7.658 0.535 7.500 1.00 52.33 H new ATOM 0 HD21 LEU A 58 7.185 -2.271 6.346 1.00 73.44 H new ATOM 0 HD22 LEU A 58 8.402 -1.137 5.712 1.00 73.44 H new ATOM 0 HD23 LEU A 58 8.889 -2.769 6.228 1.00 73.44 H new ATOM 865 N LEU A 59 12.734 -0.978 9.082 1.00 32.43 N ATOM 866 CA LEU A 59 14.041 -0.380 9.329 1.00 72.45 C ATOM 867 C LEU A 59 15.174 -1.332 9.011 1.00 44.44 C ATOM 868 O LEU A 59 16.179 -0.931 8.441 1.00 13.44 O ATOM 869 CB LEU A 59 14.159 0.147 10.763 1.00 4.03 C ATOM 870 CG LEU A 59 13.294 1.360 11.102 1.00 3.10 C ATOM 871 CD1 LEU A 59 13.426 1.722 12.567 1.00 13.43 C ATOM 872 CD2 LEU A 59 13.701 2.543 10.248 1.00 5.21 C ATOM 0 H LEU A 59 12.140 -1.042 9.909 1.00 32.43 H new ATOM 0 HA LEU A 59 14.127 0.468 8.650 1.00 72.45 H new ATOM 0 HB2 LEU A 59 13.902 -0.661 11.448 1.00 4.03 H new ATOM 0 HB3 LEU A 59 15.201 0.405 10.950 1.00 4.03 H new ATOM 0 HG LEU A 59 12.254 1.105 10.897 1.00 3.10 H new ATOM 0 HD11 LEU A 59 12.802 2.588 12.785 1.00 13.43 H new ATOM 0 HD12 LEU A 59 13.106 0.880 13.180 1.00 13.43 H new ATOM 0 HD13 LEU A 59 14.466 1.959 12.791 1.00 13.43 H new ATOM 0 HD21 LEU A 59 13.079 3.403 10.497 1.00 5.21 H new ATOM 0 HD22 LEU A 59 14.747 2.785 10.437 1.00 5.21 H new ATOM 0 HD23 LEU A 59 13.571 2.294 9.195 1.00 5.21 H new ATOM 884 N ASN A 60 15.018 -2.589 9.365 1.00 52.04 N ATOM 885 CA ASN A 60 16.044 -3.592 9.084 1.00 34.53 C ATOM 886 C ASN A 60 16.252 -3.852 7.589 1.00 73.13 C ATOM 887 O ASN A 60 17.328 -4.306 7.188 1.00 32.33 O ATOM 888 CB ASN A 60 15.812 -4.883 9.866 1.00 3.13 C ATOM 889 CG ASN A 60 15.972 -4.677 11.366 1.00 21.42 C ATOM 890 OD1 ASN A 60 16.762 -3.835 11.813 1.00 44.40 O ATOM 891 ND2 ASN A 60 15.216 -5.391 12.141 1.00 41.04 N ATOM 0 H ASN A 60 14.195 -2.949 9.848 1.00 52.04 H new ATOM 0 HA ASN A 60 16.981 -3.162 9.439 1.00 34.53 H new ATOM 0 HB2 ASN A 60 14.811 -5.259 9.656 1.00 3.13 H new ATOM 0 HB3 ASN A 60 16.515 -5.644 9.527 1.00 3.13 H new ATOM 0 HD21 ASN A 60 15.261 -5.267 13.152 1.00 41.04 H new ATOM 0 HD22 ASN A 60 14.576 -6.076 11.739 1.00 41.04 H new ATOM 898 N GLN A 61 15.241 -3.580 6.756 1.00 3.31 N ATOM 899 CA GLN A 61 15.427 -3.681 5.304 1.00 21.24 C ATOM 900 C GLN A 61 16.250 -2.491 4.835 1.00 64.22 C ATOM 901 O GLN A 61 16.989 -2.579 3.855 1.00 52.20 O ATOM 902 CB GLN A 61 14.095 -3.644 4.572 1.00 65.13 C ATOM 903 CG GLN A 61 13.088 -4.642 5.061 1.00 30.14 C ATOM 904 CD GLN A 61 11.800 -4.584 4.286 1.00 54.43 C ATOM 905 OE1 GLN A 61 11.423 -3.555 3.750 1.00 24.33 O ATOM 906 NE2 GLN A 61 11.121 -5.669 4.238 1.00 4.22 N ATOM 0 H GLN A 61 14.307 -3.295 7.052 1.00 3.31 H new ATOM 0 HA GLN A 61 15.925 -4.626 5.088 1.00 21.24 H new ATOM 0 HB2 GLN A 61 13.671 -2.644 4.665 1.00 65.13 H new ATOM 0 HB3 GLN A 61 14.273 -3.817 3.511 1.00 65.13 H new ATOM 0 HG2 GLN A 61 13.509 -5.645 4.987 1.00 30.14 H new ATOM 0 HG3 GLN A 61 12.883 -4.460 6.116 1.00 30.14 H new ATOM 0 HE21 GLN A 61 11.470 -6.510 4.699 1.00 4.22 H new ATOM 0 HE22 GLN A 61 10.232 -5.692 3.739 1.00 4.22 H new ATOM 915 N GLN A 62 16.125 -1.392 5.583 1.00 51.40 N ATOM 916 CA GLN A 62 16.747 -0.150 5.350 1.00 43.33 C ATOM 917 C GLN A 62 16.510 0.373 3.947 1.00 64.33 C ATOM 918 O GLN A 62 17.324 0.179 3.043 1.00 21.12 O ATOM 919 CB GLN A 62 18.205 -0.179 5.698 1.00 62.41 C ATOM 920 CG GLN A 62 18.763 1.179 5.770 1.00 4.22 C ATOM 921 CD GLN A 62 20.240 1.202 6.076 1.00 41.50 C ATOM 922 OE1 GLN A 62 21.069 1.171 5.169 1.00 1.31 O ATOM 923 NE2 GLN A 62 20.587 1.279 7.333 1.00 4.53 N ATOM 0 H GLN A 62 15.539 -1.379 6.418 1.00 51.40 H new ATOM 0 HA GLN A 62 16.269 0.560 6.024 1.00 43.33 H new ATOM 0 HB2 GLN A 62 18.343 -0.683 6.655 1.00 62.41 H new ATOM 0 HB3 GLN A 62 18.748 -0.759 4.952 1.00 62.41 H new ATOM 0 HG2 GLN A 62 18.588 1.687 4.822 1.00 4.22 H new ATOM 0 HG3 GLN A 62 18.231 1.743 6.537 1.00 4.22 H new ATOM 0 HE21 GLN A 62 19.871 1.303 8.059 1.00 4.53 H new ATOM 0 HE22 GLN A 62 21.574 1.316 7.588 1.00 4.53 H new ATOM 932 N LYS A 63 15.368 0.971 3.752 1.00 71.52 N ATOM 933 CA LYS A 63 15.046 1.556 2.496 1.00 35.45 C ATOM 934 C LYS A 63 15.394 3.008 2.502 1.00 24.51 C ATOM 935 O LYS A 63 15.611 3.606 3.565 1.00 62.33 O ATOM 936 CB LYS A 63 13.582 1.353 2.182 1.00 24.53 C ATOM 937 CG LYS A 63 13.192 -0.098 2.100 1.00 34.44 C ATOM 938 CD LYS A 63 13.961 -0.813 1.006 1.00 43.01 C ATOM 939 CE LYS A 63 13.603 -2.277 0.926 1.00 61.34 C ATOM 940 NZ LYS A 63 14.439 -2.990 -0.061 1.00 32.31 N ATOM 0 H LYS A 63 14.641 1.063 4.462 1.00 71.52 H new ATOM 0 HA LYS A 63 15.630 1.066 1.717 1.00 35.45 H new ATOM 0 HB2 LYS A 63 12.981 1.842 2.949 1.00 24.53 H new ATOM 0 HB3 LYS A 63 13.349 1.840 1.235 1.00 24.53 H new ATOM 0 HG2 LYS A 63 13.382 -0.583 3.058 1.00 34.44 H new ATOM 0 HG3 LYS A 63 12.122 -0.179 1.908 1.00 34.44 H new ATOM 0 HD2 LYS A 63 13.755 -0.337 0.048 1.00 43.01 H new ATOM 0 HD3 LYS A 63 15.031 -0.711 1.189 1.00 43.01 H new ATOM 0 HE2 LYS A 63 13.726 -2.736 1.907 1.00 61.34 H new ATOM 0 HE3 LYS A 63 12.552 -2.381 0.656 1.00 61.34 H new ATOM 0 HZ1 LYS A 63 14.165 -3.993 -0.088 1.00 32.31 H new ATOM 0 HZ2 LYS A 63 14.302 -2.568 -1.001 1.00 32.31 H new ATOM 0 HZ3 LYS A 63 15.440 -2.912 0.211 1.00 32.31 H new ATOM 954 N LYS A 64 15.470 3.572 1.339 1.00 11.23 N ATOM 955 CA LYS A 64 15.817 4.954 1.195 1.00 44.42 C ATOM 956 C LYS A 64 14.691 5.667 0.488 1.00 32.30 C ATOM 957 O LYS A 64 13.753 5.021 0.003 1.00 23.05 O ATOM 958 CB LYS A 64 17.101 5.101 0.377 1.00 15.13 C ATOM 959 CG LYS A 64 18.286 4.286 0.889 1.00 12.54 C ATOM 960 CD LYS A 64 18.629 4.612 2.332 1.00 23.41 C ATOM 961 CE LYS A 64 19.772 3.743 2.843 1.00 0.01 C ATOM 962 NZ LYS A 64 21.032 3.971 2.103 1.00 63.53 N ATOM 0 H LYS A 64 15.293 3.088 0.459 1.00 11.23 H new ATOM 0 HA LYS A 64 15.980 5.387 2.182 1.00 44.42 H new ATOM 0 HB2 LYS A 64 16.894 4.808 -0.652 1.00 15.13 H new ATOM 0 HB3 LYS A 64 17.384 6.154 0.358 1.00 15.13 H new ATOM 0 HG2 LYS A 64 18.058 3.224 0.803 1.00 12.54 H new ATOM 0 HG3 LYS A 64 19.155 4.477 0.259 1.00 12.54 H new ATOM 0 HD2 LYS A 64 18.905 5.663 2.413 1.00 23.41 H new ATOM 0 HD3 LYS A 64 17.750 4.464 2.959 1.00 23.41 H new ATOM 0 HE2 LYS A 64 19.934 3.947 3.901 1.00 0.01 H new ATOM 0 HE3 LYS A 64 19.491 2.693 2.760 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 21.810 3.475 2.582 1.00 63.53 H new ATOM 0 HZ2 LYS A 64 20.935 3.609 1.133 1.00 63.53 H new ATOM 0 HZ3 LYS A 64 21.238 4.990 2.073 1.00 63.53 H new ATOM 976 N SER A 65 14.789 6.967 0.427 1.00 24.25 N ATOM 977 CA SER A 65 13.805 7.799 -0.230 1.00 2.30 C ATOM 978 C SER A 65 13.675 7.412 -1.724 1.00 51.04 C ATOM 979 O SER A 65 14.676 7.393 -2.466 1.00 23.43 O ATOM 980 CB SER A 65 14.219 9.267 -0.090 1.00 53.22 C ATOM 981 OG SER A 65 14.371 9.642 1.294 1.00 21.22 O ATOM 0 H SER A 65 15.563 7.490 0.836 1.00 24.25 H new ATOM 0 HA SER A 65 12.833 7.649 0.240 1.00 2.30 H new ATOM 0 HB2 SER A 65 15.157 9.434 -0.619 1.00 53.22 H new ATOM 0 HB3 SER A 65 13.470 9.904 -0.561 1.00 53.22 H new ATOM 0 HG SER A 65 14.534 8.841 1.834 1.00 21.22 H new ATOM 987 N GLY A 66 12.463 7.084 -2.145 1.00 4.10 N ATOM 988 CA GLY A 66 12.228 6.695 -3.520 1.00 44.20 C ATOM 989 C GLY A 66 12.182 5.187 -3.691 1.00 53.40 C ATOM 990 O GLY A 66 12.077 4.678 -4.811 1.00 22.43 O ATOM 0 H GLY A 66 11.632 7.080 -1.554 1.00 4.10 H new ATOM 0 HA2 GLY A 66 11.287 7.126 -3.862 1.00 44.20 H new ATOM 0 HA3 GLY A 66 13.015 7.106 -4.152 1.00 44.20 H new ATOM 994 N GLU A 67 12.271 4.478 -2.593 1.00 64.13 N ATOM 995 CA GLU A 67 12.245 3.038 -2.583 1.00 61.41 C ATOM 996 C GLU A 67 11.078 2.531 -1.775 1.00 23.14 C ATOM 997 O GLU A 67 10.452 3.285 -1.049 1.00 5.15 O ATOM 998 CB GLU A 67 13.563 2.440 -2.120 1.00 65.13 C ATOM 999 CG GLU A 67 14.716 2.799 -3.029 1.00 23.22 C ATOM 1000 CD GLU A 67 15.983 2.109 -2.658 1.00 12.23 C ATOM 1001 OE1 GLU A 67 16.219 0.994 -3.163 1.00 72.43 O ATOM 1002 OE2 GLU A 67 16.771 2.664 -1.869 1.00 33.33 O ATOM 0 H GLU A 67 12.365 4.893 -1.666 1.00 64.13 H new ATOM 0 HA GLU A 67 12.108 2.705 -3.612 1.00 61.41 H new ATOM 0 HB2 GLU A 67 13.780 2.787 -1.110 1.00 65.13 H new ATOM 0 HB3 GLU A 67 13.468 1.355 -2.071 1.00 65.13 H new ATOM 0 HG2 GLU A 67 14.456 2.543 -4.056 1.00 23.22 H new ATOM 0 HG3 GLU A 67 14.873 3.877 -3.000 1.00 23.22 H new ATOM 1009 N VAL A 68 10.760 1.290 -1.933 1.00 45.34 N ATOM 1010 CA VAL A 68 9.612 0.730 -1.274 1.00 13.20 C ATOM 1011 C VAL A 68 10.033 -0.417 -0.349 1.00 21.10 C ATOM 1012 O VAL A 68 10.933 -1.204 -0.672 1.00 24.42 O ATOM 1013 CB VAL A 68 8.565 0.222 -2.324 1.00 71.34 C ATOM 1014 CG1 VAL A 68 9.100 -0.946 -3.148 1.00 22.43 C ATOM 1015 CG2 VAL A 68 7.251 -0.142 -1.677 1.00 71.22 C ATOM 0 H VAL A 68 11.279 0.634 -2.516 1.00 45.34 H new ATOM 0 HA VAL A 68 9.148 1.512 -0.673 1.00 13.20 H new ATOM 0 HB VAL A 68 8.385 1.054 -3.005 1.00 71.34 H new ATOM 0 HG11 VAL A 68 8.341 -1.265 -3.862 1.00 22.43 H new ATOM 0 HG12 VAL A 68 9.995 -0.632 -3.685 1.00 22.43 H new ATOM 0 HG13 VAL A 68 9.347 -1.776 -2.486 1.00 22.43 H new ATOM 0 HG21 VAL A 68 6.554 -0.489 -2.440 1.00 71.22 H new ATOM 0 HG22 VAL A 68 7.413 -0.934 -0.946 1.00 71.22 H new ATOM 0 HG23 VAL A 68 6.836 0.734 -1.178 1.00 71.22 H new ATOM 1025 N ALA A 69 9.427 -0.459 0.810 1.00 13.23 N ATOM 1026 CA ALA A 69 9.636 -1.520 1.760 1.00 74.23 C ATOM 1027 C ALA A 69 8.463 -2.472 1.647 1.00 32.02 C ATOM 1028 O ALA A 69 7.329 -2.030 1.431 1.00 52.10 O ATOM 1029 CB ALA A 69 9.755 -0.959 3.172 1.00 43.13 C ATOM 0 H ALA A 69 8.766 0.252 1.124 1.00 13.23 H new ATOM 0 HA ALA A 69 10.566 -2.047 1.548 1.00 74.23 H new ATOM 0 HB1 ALA A 69 9.913 -1.776 3.876 1.00 43.13 H new ATOM 0 HB2 ALA A 69 10.599 -0.271 3.220 1.00 43.13 H new ATOM 0 HB3 ALA A 69 8.839 -0.428 3.431 1.00 43.13 H new ATOM 1035 N VAL A 70 8.709 -3.755 1.768 1.00 45.34 N ATOM 1036 CA VAL A 70 7.660 -4.729 1.560 1.00 54.11 C ATOM 1037 C VAL A 70 7.594 -5.685 2.737 1.00 4.32 C ATOM 1038 O VAL A 70 8.625 -6.188 3.189 1.00 13.13 O ATOM 1039 CB VAL A 70 7.901 -5.574 0.261 1.00 23.23 C ATOM 1040 CG1 VAL A 70 6.740 -6.520 -0.003 1.00 33.22 C ATOM 1041 CG2 VAL A 70 8.182 -4.705 -0.970 1.00 4.35 C ATOM 0 H VAL A 70 9.619 -4.148 2.008 1.00 45.34 H new ATOM 0 HA VAL A 70 6.727 -4.176 1.458 1.00 54.11 H new ATOM 0 HB VAL A 70 8.798 -6.165 0.442 1.00 23.23 H new ATOM 0 HG11 VAL A 70 6.936 -7.092 -0.910 1.00 33.22 H new ATOM 0 HG12 VAL A 70 6.628 -7.202 0.840 1.00 33.22 H new ATOM 0 HG13 VAL A 70 5.823 -5.944 -0.128 1.00 33.22 H new ATOM 0 HG21 VAL A 70 8.341 -5.345 -1.838 1.00 4.35 H new ATOM 0 HG22 VAL A 70 7.332 -4.048 -1.154 1.00 4.35 H new ATOM 0 HG23 VAL A 70 9.074 -4.103 -0.795 1.00 4.35 H new ATOM 1051 N LEU A 71 6.406 -5.937 3.216 1.00 74.32 N ATOM 1052 CA LEU A 71 6.192 -6.901 4.283 1.00 23.30 C ATOM 1053 C LEU A 71 5.292 -7.997 3.783 1.00 52.21 C ATOM 1054 O LEU A 71 4.391 -7.750 2.974 1.00 35.53 O ATOM 1055 CB LEU A 71 5.588 -6.271 5.553 1.00 24.33 C ATOM 1056 CG LEU A 71 6.435 -5.214 6.276 1.00 25.31 C ATOM 1057 CD1 LEU A 71 5.744 -4.771 7.556 1.00 71.15 C ATOM 1058 CD2 LEU A 71 7.830 -5.741 6.587 1.00 21.34 C ATOM 0 H LEU A 71 5.554 -5.485 2.884 1.00 74.32 H new ATOM 0 HA LEU A 71 7.168 -7.298 4.563 1.00 23.30 H new ATOM 0 HB2 LEU A 71 4.634 -5.816 5.285 1.00 24.33 H new ATOM 0 HB3 LEU A 71 5.371 -7.073 6.259 1.00 24.33 H new ATOM 0 HG LEU A 71 6.539 -4.356 5.612 1.00 25.31 H new ATOM 0 HD11 LEU A 71 6.355 -4.022 8.059 1.00 71.15 H new ATOM 0 HD12 LEU A 71 4.771 -4.343 7.315 1.00 71.15 H new ATOM 0 HD13 LEU A 71 5.610 -5.630 8.213 1.00 71.15 H new ATOM 0 HD21 LEU A 71 8.405 -4.969 7.099 1.00 21.34 H new ATOM 0 HD22 LEU A 71 7.753 -6.620 7.227 1.00 21.34 H new ATOM 0 HD23 LEU A 71 8.332 -6.011 5.658 1.00 21.34 H new ATOM 1070 N LYS A 72 5.528 -9.189 4.246 1.00 54.42 N ATOM 1071 CA LYS A 72 4.773 -10.332 3.800 1.00 72.14 C ATOM 1072 C LYS A 72 3.648 -10.656 4.756 1.00 63.13 C ATOM 1073 O LYS A 72 3.824 -10.660 5.974 1.00 4.43 O ATOM 1074 CB LYS A 72 5.691 -11.543 3.637 1.00 60.00 C ATOM 1075 CG LYS A 72 5.007 -12.835 3.184 1.00 74.34 C ATOM 1076 CD LYS A 72 4.330 -12.677 1.838 1.00 62.00 C ATOM 1077 CE LYS A 72 3.715 -13.982 1.360 1.00 30.23 C ATOM 1078 NZ LYS A 72 4.735 -15.033 1.148 1.00 60.30 N ATOM 0 H LYS A 72 6.245 -9.400 4.940 1.00 54.42 H new ATOM 0 HA LYS A 72 4.333 -10.085 2.834 1.00 72.14 H new ATOM 0 HB2 LYS A 72 6.469 -11.292 2.915 1.00 60.00 H new ATOM 0 HB3 LYS A 72 6.188 -11.731 4.589 1.00 60.00 H new ATOM 0 HG2 LYS A 72 5.745 -13.635 3.127 1.00 74.34 H new ATOM 0 HG3 LYS A 72 4.269 -13.135 3.928 1.00 74.34 H new ATOM 0 HD2 LYS A 72 3.555 -11.914 1.908 1.00 62.00 H new ATOM 0 HD3 LYS A 72 5.056 -12.327 1.104 1.00 62.00 H new ATOM 0 HE2 LYS A 72 2.985 -14.328 2.092 1.00 30.23 H new ATOM 0 HE3 LYS A 72 3.175 -13.808 0.429 1.00 30.23 H new ATOM 0 HZ1 LYS A 72 4.323 -15.809 0.591 1.00 60.30 H new ATOM 0 HZ2 LYS A 72 5.546 -14.631 0.636 1.00 60.30 H new ATOM 0 HZ3 LYS A 72 5.053 -15.398 2.068 1.00 60.30 H new ATOM 1092 N ARG A 73 2.513 -10.905 4.199 1.00 12.53 N ATOM 1093 CA ARG A 73 1.349 -11.318 4.916 1.00 0.35 C ATOM 1094 C ARG A 73 0.759 -12.457 4.089 1.00 35.25 C ATOM 1095 O ARG A 73 1.239 -12.707 2.982 1.00 1.32 O ATOM 1096 CB ARG A 73 0.353 -10.141 5.025 1.00 72.15 C ATOM 1097 CG ARG A 73 -0.876 -10.366 5.930 1.00 14.24 C ATOM 1098 CD ARG A 73 -0.518 -10.423 7.428 1.00 13.53 C ATOM 1099 NE ARG A 73 0.366 -11.539 7.804 1.00 62.33 N ATOM 1100 CZ ARG A 73 1.152 -11.561 8.895 1.00 61.42 C ATOM 1101 NH1 ARG A 73 1.181 -10.522 9.721 1.00 54.52 N ATOM 1102 NH2 ARG A 73 1.900 -12.624 9.151 1.00 51.11 N ATOM 0 H ARG A 73 2.361 -10.824 3.194 1.00 12.53 H new ATOM 0 HA ARG A 73 1.575 -11.636 5.934 1.00 0.35 H new ATOM 0 HB2 ARG A 73 0.893 -9.269 5.393 1.00 72.15 H new ATOM 0 HB3 ARG A 73 -0.000 -9.898 4.023 1.00 72.15 H new ATOM 0 HG2 ARG A 73 -1.594 -9.563 5.764 1.00 14.24 H new ATOM 0 HG3 ARG A 73 -1.366 -11.297 5.643 1.00 14.24 H new ATOM 0 HD2 ARG A 73 -0.038 -9.486 7.710 1.00 13.53 H new ATOM 0 HD3 ARG A 73 -1.439 -10.496 8.006 1.00 13.53 H new ATOM 0 HE ARG A 73 0.383 -12.355 7.192 1.00 62.33 H new ATOM 0 HH11 ARG A 73 0.605 -9.702 9.529 1.00 54.52 H new ATOM 0 HH12 ARG A 73 1.779 -10.544 10.547 1.00 54.52 H new ATOM 0 HH21 ARG A 73 1.880 -13.426 8.521 1.00 51.11 H new ATOM 0 HH22 ARG A 73 2.496 -12.641 9.978 1.00 51.11 H new ATOM 1116 N ASP A 74 -0.235 -13.135 4.587 1.00 12.53 N ATOM 1117 CA ASP A 74 -0.833 -14.214 3.841 1.00 74.23 C ATOM 1118 C ASP A 74 -1.681 -13.662 2.717 1.00 2.25 C ATOM 1119 O ASP A 74 -2.628 -12.906 2.942 1.00 24.33 O ATOM 1120 CB ASP A 74 -1.633 -15.167 4.751 1.00 31.11 C ATOM 1121 CG ASP A 74 -2.755 -14.495 5.510 1.00 73.44 C ATOM 1122 OD1 ASP A 74 -2.461 -13.689 6.443 1.00 20.32 O ATOM 1123 OD2 ASP A 74 -3.936 -14.762 5.199 1.00 34.11 O ATOM 0 H ASP A 74 -0.650 -12.964 5.503 1.00 12.53 H new ATOM 0 HA ASP A 74 -0.033 -14.810 3.402 1.00 74.23 H new ATOM 0 HB2 ASP A 74 -2.050 -15.970 4.142 1.00 31.11 H new ATOM 0 HB3 ASP A 74 -0.951 -15.629 5.465 1.00 31.11 H new ATOM 1128 N GLY A 75 -1.281 -13.978 1.506 1.00 13.41 N ATOM 1129 CA GLY A 75 -2.007 -13.544 0.329 1.00 24.41 C ATOM 1130 C GLY A 75 -1.568 -12.176 -0.183 1.00 34.31 C ATOM 1131 O GLY A 75 -1.474 -11.961 -1.400 1.00 73.03 O ATOM 0 H GLY A 75 -0.452 -14.538 1.308 1.00 13.41 H new ATOM 0 HA2 GLY A 75 -1.873 -14.280 -0.463 1.00 24.41 H new ATOM 0 HA3 GLY A 75 -3.072 -13.513 0.559 1.00 24.41 H new ATOM 1135 N ARG A 76 -1.268 -11.269 0.728 1.00 53.00 N ATOM 1136 CA ARG A 76 -0.936 -9.911 0.363 1.00 62.33 C ATOM 1137 C ARG A 76 0.437 -9.484 0.804 1.00 43.04 C ATOM 1138 O ARG A 76 0.991 -9.984 1.787 1.00 50.24 O ATOM 1139 CB ARG A 76 -1.971 -8.896 0.880 1.00 43.34 C ATOM 1140 CG ARG A 76 -2.374 -9.060 2.343 1.00 15.43 C ATOM 1141 CD ARG A 76 -3.125 -7.830 2.871 1.00 65.30 C ATOM 1142 NE ARG A 76 -4.227 -7.397 1.996 1.00 31.12 N ATOM 1143 CZ ARG A 76 -5.057 -6.354 2.229 1.00 23.35 C ATOM 1144 NH1 ARG A 76 -5.095 -5.760 3.422 1.00 1.42 N ATOM 1145 NH2 ARG A 76 -5.880 -5.951 1.274 1.00 71.14 N ATOM 0 H ARG A 76 -1.248 -11.453 1.731 1.00 53.00 H new ATOM 0 HA ARG A 76 -0.949 -9.915 -0.727 1.00 62.33 H new ATOM 0 HB2 ARG A 76 -1.571 -7.892 0.741 1.00 43.34 H new ATOM 0 HB3 ARG A 76 -2.867 -8.970 0.263 1.00 43.34 H new ATOM 0 HG2 ARG A 76 -3.004 -9.943 2.449 1.00 15.43 H new ATOM 0 HG3 ARG A 76 -1.483 -9.229 2.948 1.00 15.43 H new ATOM 0 HD2 ARG A 76 -3.523 -8.054 3.861 1.00 65.30 H new ATOM 0 HD3 ARG A 76 -2.420 -7.007 2.990 1.00 65.30 H new ATOM 0 HE ARG A 76 -4.378 -7.930 1.139 1.00 31.12 H new ATOM 0 HH11 ARG A 76 -4.493 -6.091 4.176 1.00 1.42 H new ATOM 0 HH12 ARG A 76 -5.726 -4.975 3.581 1.00 1.42 H new ATOM 0 HH21 ARG A 76 -5.885 -6.426 0.371 1.00 71.14 H new ATOM 0 HH22 ARG A 76 -6.509 -5.166 1.441 1.00 71.14 H new ATOM 1159 N TYR A 77 0.973 -8.558 0.065 1.00 70.44 N ATOM 1160 CA TYR A 77 2.217 -7.921 0.379 1.00 71.32 C ATOM 1161 C TYR A 77 1.926 -6.498 0.776 1.00 3.34 C ATOM 1162 O TYR A 77 1.072 -5.837 0.163 1.00 13.35 O ATOM 1163 CB TYR A 77 3.177 -7.967 -0.816 1.00 72.23 C ATOM 1164 CG TYR A 77 3.645 -9.360 -1.169 1.00 51.01 C ATOM 1165 CD1 TYR A 77 2.903 -10.184 -2.009 1.00 13.42 C ATOM 1166 CD2 TYR A 77 4.828 -9.853 -0.649 1.00 35.24 C ATOM 1167 CE1 TYR A 77 3.333 -11.461 -2.312 1.00 21.01 C ATOM 1168 CE2 TYR A 77 5.265 -11.120 -0.950 1.00 23.23 C ATOM 1169 CZ TYR A 77 4.516 -11.923 -1.779 1.00 21.34 C ATOM 1170 OH TYR A 77 4.953 -13.198 -2.066 1.00 62.03 O ATOM 0 H TYR A 77 0.545 -8.216 -0.796 1.00 70.44 H new ATOM 0 HA TYR A 77 2.704 -8.447 1.200 1.00 71.32 H new ATOM 0 HB2 TYR A 77 2.684 -7.529 -1.684 1.00 72.23 H new ATOM 0 HB3 TYR A 77 4.046 -7.347 -0.596 1.00 72.23 H new ATOM 0 HD1 TYR A 77 1.978 -9.820 -2.430 1.00 13.42 H new ATOM 0 HD2 TYR A 77 5.419 -9.230 0.006 1.00 35.24 H new ATOM 0 HE1 TYR A 77 2.746 -12.093 -2.962 1.00 21.01 H new ATOM 0 HE2 TYR A 77 6.194 -11.485 -0.537 1.00 23.23 H new ATOM 0 HH TYR A 77 5.805 -13.362 -1.610 1.00 62.03 H new ATOM 1180 N ILE A 78 2.577 -6.029 1.796 1.00 75.45 N ATOM 1181 CA ILE A 78 2.337 -4.696 2.262 1.00 61.40 C ATOM 1182 C ILE A 78 3.422 -3.792 1.697 1.00 21.12 C ATOM 1183 O ILE A 78 4.609 -4.054 1.891 1.00 42.21 O ATOM 1184 CB ILE A 78 2.388 -4.604 3.805 1.00 40.12 C ATOM 1185 CG1 ILE A 78 1.628 -5.768 4.483 1.00 63.53 C ATOM 1186 CG2 ILE A 78 1.773 -3.280 4.235 1.00 44.12 C ATOM 1187 CD1 ILE A 78 0.148 -5.826 4.189 1.00 54.23 C ATOM 0 H ILE A 78 3.279 -6.549 2.323 1.00 75.45 H new ATOM 0 HA ILE A 78 1.342 -4.395 1.934 1.00 61.40 H new ATOM 0 HB ILE A 78 3.431 -4.669 4.116 1.00 40.12 H new ATOM 0 HG12 ILE A 78 2.082 -6.708 4.170 1.00 63.53 H new ATOM 0 HG13 ILE A 78 1.765 -5.691 5.562 1.00 63.53 H new ATOM 0 HG21 ILE A 78 1.802 -3.201 5.322 1.00 44.12 H new ATOM 0 HG22 ILE A 78 2.337 -2.457 3.796 1.00 44.12 H new ATOM 0 HG23 ILE A 78 0.738 -3.232 3.895 1.00 44.12 H new ATOM 0 HD11 ILE A 78 -0.293 -6.676 4.710 1.00 54.23 H new ATOM 0 HD12 ILE A 78 -0.327 -4.906 4.529 1.00 54.23 H new ATOM 0 HD13 ILE A 78 -0.006 -5.939 3.116 1.00 54.23 H new ATOM 1199 N TYR A 79 3.020 -2.763 1.000 1.00 34.51 N ATOM 1200 CA TYR A 79 3.937 -1.834 0.392 1.00 73.52 C ATOM 1201 C TYR A 79 4.029 -0.551 1.158 1.00 3.10 C ATOM 1202 O TYR A 79 3.017 0.130 1.418 1.00 62.23 O ATOM 1203 CB TYR A 79 3.561 -1.552 -1.055 1.00 14.33 C ATOM 1204 CG TYR A 79 3.682 -2.747 -1.934 1.00 1.55 C ATOM 1205 CD1 TYR A 79 2.644 -3.654 -2.065 1.00 52.15 C ATOM 1206 CD2 TYR A 79 4.850 -2.984 -2.614 1.00 43.20 C ATOM 1207 CE1 TYR A 79 2.776 -4.762 -2.858 1.00 34.04 C ATOM 1208 CE2 TYR A 79 4.996 -4.082 -3.399 1.00 60.43 C ATOM 1209 CZ TYR A 79 3.960 -4.973 -3.525 1.00 50.34 C ATOM 1210 OH TYR A 79 4.129 -6.095 -4.301 1.00 63.44 O ATOM 0 H TYR A 79 2.038 -2.543 0.836 1.00 34.51 H new ATOM 0 HA TYR A 79 4.918 -2.308 0.413 1.00 73.52 H new ATOM 0 HB2 TYR A 79 2.536 -1.183 -1.092 1.00 14.33 H new ATOM 0 HB3 TYR A 79 4.200 -0.758 -1.442 1.00 14.33 H new ATOM 0 HD1 TYR A 79 1.718 -3.485 -1.535 1.00 52.15 H new ATOM 0 HD2 TYR A 79 5.668 -2.285 -2.523 1.00 43.20 H new ATOM 0 HE1 TYR A 79 1.960 -5.462 -2.959 1.00 34.04 H new ATOM 0 HE2 TYR A 79 5.925 -4.254 -3.923 1.00 60.43 H new ATOM 0 HH TYR A 79 5.073 -6.181 -4.550 1.00 63.44 H new ATOM 1220 N TYR A 80 5.219 -0.230 1.528 1.00 32.33 N ATOM 1221 CA TYR A 80 5.516 0.975 2.213 1.00 23.45 C ATOM 1222 C TYR A 80 6.376 1.844 1.330 1.00 72.02 C ATOM 1223 O TYR A 80 7.572 1.595 1.172 1.00 33.51 O ATOM 1224 CB TYR A 80 6.233 0.680 3.513 1.00 71.51 C ATOM 1225 CG TYR A 80 5.427 -0.092 4.524 1.00 34.35 C ATOM 1226 CD1 TYR A 80 5.399 -1.473 4.510 1.00 42.11 C ATOM 1227 CD2 TYR A 80 4.707 0.567 5.503 1.00 5.42 C ATOM 1228 CE1 TYR A 80 4.675 -2.171 5.442 1.00 31.44 C ATOM 1229 CE2 TYR A 80 3.979 -0.125 6.440 1.00 61.34 C ATOM 1230 CZ TYR A 80 3.967 -1.493 6.407 1.00 52.50 C ATOM 1231 OH TYR A 80 3.243 -2.191 7.338 1.00 43.42 O ATOM 0 H TYR A 80 6.035 -0.817 1.356 1.00 32.33 H new ATOM 0 HA TYR A 80 4.588 1.496 2.446 1.00 23.45 H new ATOM 0 HB2 TYR A 80 7.141 0.120 3.290 1.00 71.51 H new ATOM 0 HB3 TYR A 80 6.543 1.624 3.962 1.00 71.51 H new ATOM 0 HD1 TYR A 80 5.955 -2.010 3.755 1.00 42.11 H new ATOM 0 HD2 TYR A 80 4.717 1.647 5.532 1.00 5.42 H new ATOM 0 HE1 TYR A 80 4.661 -3.251 5.419 1.00 31.44 H new ATOM 0 HE2 TYR A 80 3.421 0.406 7.197 1.00 61.34 H new ATOM 0 HH TYR A 80 2.288 -2.117 7.132 1.00 43.42 H new ATOM 1241 N LEU A 81 5.757 2.814 0.729 1.00 65.03 N ATOM 1242 CA LEU A 81 6.421 3.734 -0.159 1.00 35.15 C ATOM 1243 C LEU A 81 7.235 4.686 0.677 1.00 60.35 C ATOM 1244 O LEU A 81 6.688 5.388 1.525 1.00 62.22 O ATOM 1245 CB LEU A 81 5.362 4.523 -0.949 1.00 13.11 C ATOM 1246 CG LEU A 81 4.334 3.690 -1.719 1.00 22.23 C ATOM 1247 CD1 LEU A 81 3.353 4.592 -2.446 1.00 22.25 C ATOM 1248 CD2 LEU A 81 5.013 2.736 -2.687 1.00 65.31 C ATOM 0 H LEU A 81 4.760 2.996 0.840 1.00 65.03 H new ATOM 0 HA LEU A 81 7.065 3.198 -0.856 1.00 35.15 H new ATOM 0 HB2 LEU A 81 4.827 5.170 -0.254 1.00 13.11 H new ATOM 0 HB3 LEU A 81 5.876 5.173 -1.657 1.00 13.11 H new ATOM 0 HG LEU A 81 3.779 3.090 -0.998 1.00 22.23 H new ATOM 0 HD11 LEU A 81 2.630 3.982 -2.988 1.00 22.25 H new ATOM 0 HD12 LEU A 81 2.830 5.218 -1.723 1.00 22.25 H new ATOM 0 HD13 LEU A 81 3.893 5.225 -3.150 1.00 22.25 H new ATOM 0 HD21 LEU A 81 4.257 2.158 -3.219 1.00 65.31 H new ATOM 0 HD22 LEU A 81 5.605 3.305 -3.403 1.00 65.31 H new ATOM 0 HD23 LEU A 81 5.664 2.059 -2.134 1.00 65.31 H new ATOM 1260 N ILE A 82 8.508 4.700 0.475 1.00 42.12 N ATOM 1261 CA ILE A 82 9.354 5.561 1.243 1.00 31.22 C ATOM 1262 C ILE A 82 9.531 6.854 0.519 1.00 2.40 C ATOM 1263 O ILE A 82 10.200 6.918 -0.519 1.00 32.10 O ATOM 1264 CB ILE A 82 10.737 4.949 1.500 1.00 30.44 C ATOM 1265 CG1 ILE A 82 10.633 3.574 2.191 1.00 4.33 C ATOM 1266 CG2 ILE A 82 11.552 5.895 2.341 1.00 62.15 C ATOM 1267 CD1 ILE A 82 9.984 3.595 3.557 1.00 0.51 C ATOM 0 H ILE A 82 8.991 4.126 -0.216 1.00 42.12 H new ATOM 0 HA ILE A 82 8.870 5.713 2.208 1.00 31.22 H new ATOM 0 HB ILE A 82 11.227 4.793 0.539 1.00 30.44 H new ATOM 0 HG12 ILE A 82 10.067 2.902 1.546 1.00 4.33 H new ATOM 0 HG13 ILE A 82 11.635 3.155 2.287 1.00 4.33 H new ATOM 0 HG21 ILE A 82 12.536 5.463 2.525 1.00 62.15 H new ATOM 0 HG22 ILE A 82 11.665 6.843 1.816 1.00 62.15 H new ATOM 0 HG23 ILE A 82 11.046 6.065 3.292 1.00 62.15 H new ATOM 0 HD11 ILE A 82 9.956 2.583 3.962 1.00 0.51 H new ATOM 0 HD12 ILE A 82 10.560 4.237 4.224 1.00 0.51 H new ATOM 0 HD13 ILE A 82 8.968 3.979 3.471 1.00 0.51 H new ATOM 1279 N THR A 83 8.926 7.860 1.036 1.00 74.51 N ATOM 1280 CA THR A 83 9.024 9.151 0.474 1.00 71.22 C ATOM 1281 C THR A 83 10.231 9.894 1.036 1.00 40.14 C ATOM 1282 O THR A 83 11.139 10.261 0.306 1.00 32.05 O ATOM 1283 CB THR A 83 7.725 9.941 0.737 1.00 52.34 C ATOM 1284 OG1 THR A 83 7.399 9.885 2.144 1.00 50.12 O ATOM 1285 CG2 THR A 83 6.572 9.366 -0.077 1.00 40.10 C ATOM 0 H THR A 83 8.343 7.807 1.871 1.00 74.51 H new ATOM 0 HA THR A 83 9.162 9.054 -0.603 1.00 71.22 H new ATOM 0 HB THR A 83 7.882 10.977 0.437 1.00 52.34 H new ATOM 0 HG1 THR A 83 6.575 10.389 2.309 1.00 50.12 H new ATOM 0 HG21 THR A 83 5.665 9.937 0.123 1.00 40.10 H new ATOM 0 HG22 THR A 83 6.811 9.425 -1.139 1.00 40.10 H new ATOM 0 HG23 THR A 83 6.414 8.324 0.202 1.00 40.10 H new ATOM 1293 N LYS A 84 10.264 10.072 2.327 1.00 33.10 N ATOM 1294 CA LYS A 84 11.297 10.881 2.945 1.00 35.41 C ATOM 1295 C LYS A 84 11.795 10.267 4.239 1.00 74.42 C ATOM 1296 O LYS A 84 11.289 9.238 4.689 1.00 1.32 O ATOM 1297 CB LYS A 84 10.745 12.282 3.226 1.00 44.14 C ATOM 1298 CG LYS A 84 10.382 13.111 1.990 1.00 31.04 C ATOM 1299 CD LYS A 84 11.615 13.497 1.188 1.00 25.42 C ATOM 1300 CE LYS A 84 11.255 14.380 0.010 1.00 31.03 C ATOM 1301 NZ LYS A 84 12.449 14.807 -0.729 1.00 22.00 N ATOM 0 H LYS A 84 9.590 9.671 2.979 1.00 33.10 H new ATOM 0 HA LYS A 84 12.139 10.935 2.254 1.00 35.41 H new ATOM 0 HB2 LYS A 84 9.856 12.184 3.850 1.00 44.14 H new ATOM 0 HB3 LYS A 84 11.483 12.834 3.807 1.00 44.14 H new ATOM 0 HG2 LYS A 84 9.700 12.542 1.358 1.00 31.04 H new ATOM 0 HG3 LYS A 84 9.852 14.012 2.299 1.00 31.04 H new ATOM 0 HD2 LYS A 84 12.322 14.019 1.833 1.00 25.42 H new ATOM 0 HD3 LYS A 84 12.115 12.597 0.830 1.00 25.42 H new ATOM 0 HE2 LYS A 84 10.586 13.840 -0.660 1.00 31.03 H new ATOM 0 HE3 LYS A 84 10.712 15.257 0.364 1.00 31.03 H new ATOM 0 HZ1 LYS A 84 12.166 15.409 -1.528 1.00 22.00 H new ATOM 0 HZ2 LYS A 84 13.076 15.344 -0.096 1.00 22.00 H new ATOM 0 HZ3 LYS A 84 12.953 13.971 -1.088 1.00 22.00 H new ATOM 1315 N LYS A 85 12.787 10.919 4.846 1.00 33.12 N ATOM 1316 CA LYS A 85 13.350 10.468 6.120 1.00 54.32 C ATOM 1317 C LYS A 85 12.341 10.685 7.225 1.00 65.52 C ATOM 1318 O LYS A 85 12.194 9.870 8.125 1.00 62.33 O ATOM 1319 CB LYS A 85 14.607 11.261 6.478 1.00 53.12 C ATOM 1320 CG LYS A 85 15.670 11.304 5.410 1.00 14.10 C ATOM 1321 CD LYS A 85 16.887 12.058 5.902 1.00 22.32 C ATOM 1322 CE LYS A 85 17.923 12.213 4.811 1.00 24.41 C ATOM 1323 NZ LYS A 85 19.110 12.943 5.289 1.00 42.25 N ATOM 0 H LYS A 85 13.219 11.765 4.474 1.00 33.12 H new ATOM 0 HA LYS A 85 13.600 9.412 6.017 1.00 54.32 H new ATOM 0 HB2 LYS A 85 14.315 12.283 6.718 1.00 53.12 H new ATOM 0 HB3 LYS A 85 15.041 10.833 7.382 1.00 53.12 H new ATOM 0 HG2 LYS A 85 15.953 10.289 5.129 1.00 14.10 H new ATOM 0 HG3 LYS A 85 15.275 11.784 4.515 1.00 14.10 H new ATOM 0 HD2 LYS A 85 16.586 13.042 6.261 1.00 22.32 H new ATOM 0 HD3 LYS A 85 17.325 11.530 6.749 1.00 22.32 H new ATOM 0 HE2 LYS A 85 18.222 11.229 4.450 1.00 24.41 H new ATOM 0 HE3 LYS A 85 17.485 12.744 3.966 1.00 24.41 H new ATOM 0 HZ1 LYS A 85 19.799 13.030 4.515 1.00 42.25 H new ATOM 0 HZ2 LYS A 85 18.828 13.891 5.611 1.00 42.25 H new ATOM 0 HZ3 LYS A 85 19.542 12.423 6.080 1.00 42.25 H new ATOM 1337 N ARG A 86 11.629 11.792 7.146 1.00 21.51 N ATOM 1338 CA ARG A 86 10.668 12.134 8.160 1.00 45.21 C ATOM 1339 C ARG A 86 9.297 12.077 7.548 1.00 22.21 C ATOM 1340 O ARG A 86 9.115 12.523 6.427 1.00 71.54 O ATOM 1341 CB ARG A 86 10.922 13.552 8.690 1.00 13.20 C ATOM 1342 CG ARG A 86 12.309 13.803 9.277 1.00 31.34 C ATOM 1343 CD ARG A 86 12.551 12.975 10.502 1.00 41.53 C ATOM 1344 NE ARG A 86 13.873 13.229 11.084 1.00 42.14 N ATOM 1345 CZ ARG A 86 14.532 12.422 11.944 1.00 1.53 C ATOM 1346 NH1 ARG A 86 13.998 11.262 12.342 1.00 43.24 N ATOM 1347 NH2 ARG A 86 15.726 12.780 12.389 1.00 15.24 N ATOM 0 H ARG A 86 11.703 12.468 6.385 1.00 21.51 H new ATOM 0 HA ARG A 86 10.753 11.433 8.990 1.00 45.21 H new ATOM 0 HB2 ARG A 86 10.759 14.258 7.876 1.00 13.20 H new ATOM 0 HB3 ARG A 86 10.179 13.772 9.456 1.00 13.20 H new ATOM 0 HG2 ARG A 86 13.068 13.575 8.528 1.00 31.34 H new ATOM 0 HG3 ARG A 86 12.413 14.859 9.525 1.00 31.34 H new ATOM 0 HD2 ARG A 86 11.781 13.190 11.243 1.00 41.53 H new ATOM 0 HD3 ARG A 86 12.463 11.918 10.249 1.00 41.53 H new ATOM 0 HE ARG A 86 14.338 14.096 10.814 1.00 42.14 H new ATOM 0 HH11 ARG A 86 13.082 10.977 11.996 1.00 43.24 H new ATOM 0 HH12 ARG A 86 14.507 10.663 12.992 1.00 43.24 H new ATOM 0 HH21 ARG A 86 16.142 13.659 12.082 1.00 15.24 H new ATOM 0 HH22 ARG A 86 16.230 12.176 13.039 1.00 15.24 H new ATOM 1361 N ALA A 87 8.336 11.533 8.267 1.00 4.34 N ATOM 1362 CA ALA A 87 6.964 11.458 7.760 1.00 71.23 C ATOM 1363 C ALA A 87 6.324 12.838 7.768 1.00 31.14 C ATOM 1364 O ALA A 87 5.289 13.061 7.157 1.00 43.22 O ATOM 1365 CB ALA A 87 6.144 10.467 8.567 1.00 3.41 C ATOM 0 H ALA A 87 8.469 11.137 9.198 1.00 4.34 H new ATOM 0 HA ALA A 87 6.992 11.101 6.730 1.00 71.23 H new ATOM 0 HB1 ALA A 87 5.129 10.428 8.172 1.00 3.41 H new ATOM 0 HB2 ALA A 87 6.598 9.478 8.499 1.00 3.41 H new ATOM 0 HB3 ALA A 87 6.116 10.782 9.610 1.00 3.41 H new ATOM 1371 N SER A 88 6.966 13.749 8.473 1.00 60.42 N ATOM 1372 CA SER A 88 6.566 15.118 8.556 1.00 2.11 C ATOM 1373 C SER A 88 7.121 15.917 7.361 1.00 34.23 C ATOM 1374 O SER A 88 6.894 17.126 7.234 1.00 43.13 O ATOM 1375 CB SER A 88 7.075 15.657 9.875 1.00 73.43 C ATOM 1376 OG SER A 88 8.441 15.283 10.046 1.00 3.45 O ATOM 0 H SER A 88 7.804 13.539 9.016 1.00 60.42 H new ATOM 0 HA SER A 88 5.481 15.211 8.514 1.00 2.11 H new ATOM 0 HB2 SER A 88 6.978 16.742 9.898 1.00 73.43 H new ATOM 0 HB3 SER A 88 6.474 15.266 10.696 1.00 73.43 H new ATOM 0 HG SER A 88 8.772 15.633 10.899 1.00 3.45 H new ATOM 1382 N HIS A 89 7.853 15.224 6.496 1.00 71.02 N ATOM 1383 CA HIS A 89 8.389 15.812 5.284 1.00 73.51 C ATOM 1384 C HIS A 89 7.379 15.738 4.182 1.00 53.24 C ATOM 1385 O HIS A 89 6.451 14.903 4.212 1.00 43.41 O ATOM 1386 CB HIS A 89 9.680 15.118 4.810 1.00 41.24 C ATOM 1387 CG HIS A 89 10.934 15.473 5.524 1.00 62.23 C ATOM 1388 ND1 HIS A 89 11.152 16.143 6.664 1.00 23.30 N flip ATOM 1389 CD2 HIS A 89 12.177 15.099 5.060 1.00 72.53 C flip ATOM 1390 CE1 HIS A 89 12.511 16.158 6.868 1.00 33.12 C flip ATOM 1391 NE2 HIS A 89 13.098 15.514 5.881 1.00 63.14 N flip ATOM 0 H HIS A 89 8.089 14.239 6.619 1.00 71.02 H new ATOM 0 HA HIS A 89 8.625 16.849 5.522 1.00 73.51 H new ATOM 0 HB2 HIS A 89 9.536 14.041 4.892 1.00 41.24 H new ATOM 0 HB3 HIS A 89 9.817 15.342 3.752 1.00 41.24 H new ATOM 0 HD2 HIS A 89 12.359 14.545 4.151 1.00 72.53 H new ATOM 0 HE1 HIS A 89 13.015 16.623 7.702 1.00 33.12 H new ATOM 0 HE2 HIS A 89 14.102 15.366 5.777 1.00 63.14 H new ATOM 1400 N LYS A 90 7.554 16.590 3.226 1.00 72.02 N ATOM 1401 CA LYS A 90 6.699 16.621 2.064 1.00 33.41 C ATOM 1402 C LYS A 90 7.217 15.638 1.010 1.00 5.21 C ATOM 1403 O LYS A 90 8.430 15.490 0.829 1.00 44.32 O ATOM 1404 CB LYS A 90 6.651 18.030 1.436 1.00 62.03 C ATOM 1405 CG LYS A 90 8.005 18.518 0.909 1.00 75.35 C ATOM 1406 CD LYS A 90 7.900 19.821 0.138 1.00 61.33 C ATOM 1407 CE LYS A 90 7.359 20.953 0.986 1.00 61.34 C ATOM 1408 NZ LYS A 90 7.347 22.228 0.239 1.00 22.31 N ATOM 0 H LYS A 90 8.295 17.291 3.220 1.00 72.02 H new ATOM 0 HA LYS A 90 5.696 16.343 2.387 1.00 33.41 H new ATOM 0 HB2 LYS A 90 5.932 18.028 0.617 1.00 62.03 H new ATOM 0 HB3 LYS A 90 6.285 18.737 2.180 1.00 62.03 H new ATOM 0 HG2 LYS A 90 8.690 18.651 1.747 1.00 75.35 H new ATOM 0 HG3 LYS A 90 8.436 17.753 0.263 1.00 75.35 H new ATOM 0 HD2 LYS A 90 8.884 20.095 -0.243 1.00 61.33 H new ATOM 0 HD3 LYS A 90 7.252 19.677 -0.727 1.00 61.33 H new ATOM 0 HE2 LYS A 90 6.348 20.712 1.314 1.00 61.34 H new ATOM 0 HE3 LYS A 90 7.968 21.061 1.883 1.00 61.34 H new ATOM 0 HZ1 LYS A 90 6.971 22.983 0.847 1.00 22.31 H new ATOM 0 HZ2 LYS A 90 8.316 22.468 -0.053 1.00 22.31 H new ATOM 0 HZ3 LYS A 90 6.746 22.131 -0.604 1.00 22.31 H new ATOM 1422 N PRO A 91 6.329 14.931 0.337 1.00 64.22 N ATOM 1423 CA PRO A 91 6.709 14.095 -0.769 1.00 23.32 C ATOM 1424 C PRO A 91 6.768 14.921 -2.062 1.00 42.12 C ATOM 1425 O PRO A 91 6.154 15.995 -2.161 1.00 52.42 O ATOM 1426 CB PRO A 91 5.583 13.063 -0.836 1.00 33.51 C ATOM 1427 CG PRO A 91 4.381 13.761 -0.285 1.00 42.24 C ATOM 1428 CD PRO A 91 4.884 14.863 0.620 1.00 35.11 C ATOM 0 HA PRO A 91 7.693 13.641 -0.650 1.00 23.32 H new ATOM 0 HB2 PRO A 91 5.412 12.733 -1.860 1.00 33.51 H new ATOM 0 HB3 PRO A 91 5.826 12.176 -0.251 1.00 33.51 H new ATOM 0 HG2 PRO A 91 3.771 14.172 -1.090 1.00 42.24 H new ATOM 0 HG3 PRO A 91 3.751 13.065 0.269 1.00 42.24 H new ATOM 0 HD2 PRO A 91 4.391 15.811 0.405 1.00 35.11 H new ATOM 0 HD3 PRO A 91 4.694 14.635 1.669 1.00 35.11 H new ATOM 1436 N THR A 92 7.517 14.461 -3.008 1.00 14.40 N ATOM 1437 CA THR A 92 7.603 15.097 -4.281 1.00 12.31 C ATOM 1438 C THR A 92 6.996 14.186 -5.321 1.00 24.13 C ATOM 1439 O THR A 92 6.946 12.970 -5.100 1.00 62.04 O ATOM 1440 CB THR A 92 9.074 15.440 -4.609 1.00 54.12 C ATOM 1441 OG1 THR A 92 9.916 14.356 -4.222 1.00 1.11 O ATOM 1442 CG2 THR A 92 9.519 16.720 -3.925 1.00 22.41 C ATOM 0 H THR A 92 8.093 13.624 -2.919 1.00 14.40 H new ATOM 0 HA THR A 92 7.048 16.035 -4.272 1.00 12.31 H new ATOM 0 HB THR A 92 9.152 15.600 -5.684 1.00 54.12 H new ATOM 0 HG1 THR A 92 10.639 14.253 -4.876 1.00 1.11 H new ATOM 0 HG21 THR A 92 10.558 16.927 -4.180 1.00 22.41 H new ATOM 0 HG22 THR A 92 8.892 17.547 -4.258 1.00 22.41 H new ATOM 0 HG23 THR A 92 9.427 16.606 -2.845 1.00 22.41 H new ATOM 1450 N TYR A 93 6.515 14.741 -6.431 1.00 21.12 N ATOM 1451 CA TYR A 93 5.920 13.926 -7.490 1.00 4.32 C ATOM 1452 C TYR A 93 6.946 12.947 -8.017 1.00 51.24 C ATOM 1453 O TYR A 93 6.661 11.781 -8.209 1.00 22.01 O ATOM 1454 CB TYR A 93 5.404 14.775 -8.656 1.00 42.42 C ATOM 1455 CG TYR A 93 4.325 15.770 -8.310 1.00 71.31 C ATOM 1456 CD1 TYR A 93 3.151 15.373 -7.676 1.00 72.31 C ATOM 1457 CD2 TYR A 93 4.462 17.103 -8.654 1.00 13.14 C ATOM 1458 CE1 TYR A 93 2.152 16.283 -7.397 1.00 10.31 C ATOM 1459 CE2 TYR A 93 3.475 18.016 -8.375 1.00 32.33 C ATOM 1460 CZ TYR A 93 2.323 17.605 -7.749 1.00 10.03 C ATOM 1461 OH TYR A 93 1.328 18.519 -7.494 1.00 62.12 O ATOM 0 H TYR A 93 6.525 15.743 -6.621 1.00 21.12 H new ATOM 0 HA TYR A 93 5.072 13.399 -7.053 1.00 4.32 H new ATOM 0 HB2 TYR A 93 6.246 15.315 -9.089 1.00 42.42 H new ATOM 0 HB3 TYR A 93 5.023 14.107 -9.428 1.00 42.42 H new ATOM 0 HD1 TYR A 93 3.020 14.338 -7.398 1.00 72.31 H new ATOM 0 HD2 TYR A 93 5.362 17.432 -9.151 1.00 13.14 H new ATOM 0 HE1 TYR A 93 1.244 15.963 -6.907 1.00 10.31 H new ATOM 0 HE2 TYR A 93 3.604 19.053 -8.647 1.00 32.33 H new ATOM 0 HH TYR A 93 1.610 19.405 -7.804 1.00 62.12 H new ATOM 1471 N GLU A 94 8.148 13.453 -8.209 1.00 40.42 N ATOM 1472 CA GLU A 94 9.285 12.701 -8.695 1.00 54.50 C ATOM 1473 C GLU A 94 9.535 11.479 -7.807 1.00 54.52 C ATOM 1474 O GLU A 94 9.670 10.349 -8.284 1.00 45.02 O ATOM 1475 CB GLU A 94 10.490 13.627 -8.631 1.00 43.21 C ATOM 1476 CG GLU A 94 11.789 13.041 -9.101 1.00 65.21 C ATOM 1477 CD GLU A 94 12.934 13.982 -8.850 1.00 23.42 C ATOM 1478 OE1 GLU A 94 13.090 14.960 -9.596 1.00 41.21 O ATOM 1479 OE2 GLU A 94 13.704 13.756 -7.887 1.00 64.20 O ATOM 0 H GLU A 94 8.366 14.432 -8.024 1.00 40.42 H new ATOM 0 HA GLU A 94 9.105 12.351 -9.711 1.00 54.50 H new ATOM 0 HB2 GLU A 94 10.276 14.513 -9.228 1.00 43.21 H new ATOM 0 HB3 GLU A 94 10.615 13.960 -7.600 1.00 43.21 H new ATOM 0 HG2 GLU A 94 11.972 12.097 -8.587 1.00 65.21 H new ATOM 0 HG3 GLU A 94 11.726 12.817 -10.166 1.00 65.21 H new ATOM 1486 N ASN A 95 9.567 11.730 -6.525 1.00 65.20 N ATOM 1487 CA ASN A 95 9.828 10.723 -5.525 1.00 41.22 C ATOM 1488 C ASN A 95 8.667 9.744 -5.454 1.00 2.20 C ATOM 1489 O ASN A 95 8.871 8.527 -5.403 1.00 73.54 O ATOM 1490 CB ASN A 95 10.026 11.437 -4.203 1.00 53.12 C ATOM 1491 CG ASN A 95 10.451 10.576 -3.034 1.00 44.22 C ATOM 1492 OD1 ASN A 95 10.103 9.418 -2.911 1.00 22.31 O ATOM 1493 ND2 ASN A 95 11.242 11.154 -2.192 1.00 12.45 N ATOM 0 H ASN A 95 9.409 12.660 -6.136 1.00 65.20 H new ATOM 0 HA ASN A 95 10.720 10.148 -5.773 1.00 41.22 H new ATOM 0 HB2 ASN A 95 10.775 12.217 -4.344 1.00 53.12 H new ATOM 0 HB3 ASN A 95 9.093 11.935 -3.940 1.00 53.12 H new ATOM 0 HD21 ASN A 95 11.598 10.636 -1.388 1.00 12.45 H new ATOM 0 HD22 ASN A 95 11.511 12.128 -2.331 1.00 12.45 H new ATOM 1500 N LEU A 96 7.453 10.280 -5.474 1.00 1.55 N ATOM 1501 CA LEU A 96 6.261 9.458 -5.447 1.00 23.22 C ATOM 1502 C LEU A 96 6.249 8.482 -6.628 1.00 63.04 C ATOM 1503 O LEU A 96 5.930 7.307 -6.454 1.00 22.34 O ATOM 1504 CB LEU A 96 4.999 10.322 -5.437 1.00 5.52 C ATOM 1505 CG LEU A 96 3.663 9.579 -5.310 1.00 25.15 C ATOM 1506 CD1 LEU A 96 3.590 8.811 -3.994 1.00 70.12 C ATOM 1507 CD2 LEU A 96 2.512 10.552 -5.418 1.00 15.31 C ATOM 0 H LEU A 96 7.273 11.283 -5.509 1.00 1.55 H new ATOM 0 HA LEU A 96 6.273 8.875 -4.526 1.00 23.22 H new ATOM 0 HB2 LEU A 96 5.076 11.029 -4.611 1.00 5.52 H new ATOM 0 HB3 LEU A 96 4.978 10.907 -6.357 1.00 5.52 H new ATOM 0 HG LEU A 96 3.592 8.860 -6.126 1.00 25.15 H new ATOM 0 HD11 LEU A 96 2.633 8.293 -3.928 1.00 70.12 H new ATOM 0 HD12 LEU A 96 4.401 8.083 -3.952 1.00 70.12 H new ATOM 0 HD13 LEU A 96 3.684 9.507 -3.161 1.00 70.12 H new ATOM 0 HD21 LEU A 96 1.569 10.012 -5.326 1.00 15.31 H new ATOM 0 HD22 LEU A 96 2.585 11.292 -4.621 1.00 15.31 H new ATOM 0 HD23 LEU A 96 2.550 11.054 -6.385 1.00 15.31 H new ATOM 1519 N GLN A 97 6.639 8.961 -7.819 1.00 71.54 N ATOM 1520 CA GLN A 97 6.725 8.100 -8.990 1.00 33.25 C ATOM 1521 C GLN A 97 7.633 6.941 -8.702 1.00 64.40 C ATOM 1522 O GLN A 97 7.271 5.795 -8.925 1.00 12.12 O ATOM 1523 CB GLN A 97 7.281 8.852 -10.175 1.00 34.30 C ATOM 1524 CG GLN A 97 6.444 10.004 -10.623 1.00 35.42 C ATOM 1525 CD GLN A 97 7.058 10.729 -11.781 1.00 10.32 C ATOM 1526 OE1 GLN A 97 8.279 10.771 -11.924 1.00 33.51 O ATOM 1527 NE2 GLN A 97 6.240 11.299 -12.616 1.00 12.44 N ATOM 0 H GLN A 97 6.896 9.933 -7.988 1.00 71.54 H new ATOM 0 HA GLN A 97 5.719 7.751 -9.222 1.00 33.25 H new ATOM 0 HB2 GLN A 97 8.276 9.218 -9.923 1.00 34.30 H new ATOM 0 HB3 GLN A 97 7.398 8.158 -11.008 1.00 34.30 H new ATOM 0 HG2 GLN A 97 5.454 9.645 -10.904 1.00 35.42 H new ATOM 0 HG3 GLN A 97 6.308 10.697 -9.793 1.00 35.42 H new ATOM 0 HE21 GLN A 97 5.233 11.242 -12.463 1.00 12.44 H new ATOM 0 HE22 GLN A 97 6.605 11.803 -13.424 1.00 12.44 H new ATOM 1536 N LYS A 98 8.804 7.258 -8.163 1.00 41.52 N ATOM 1537 CA LYS A 98 9.817 6.258 -7.826 1.00 62.35 C ATOM 1538 C LYS A 98 9.266 5.155 -6.921 1.00 32.12 C ATOM 1539 O LYS A 98 9.565 3.976 -7.132 1.00 75.13 O ATOM 1540 CB LYS A 98 11.044 6.889 -7.164 1.00 62.45 C ATOM 1541 CG LYS A 98 11.813 7.863 -8.031 1.00 13.24 C ATOM 1542 CD LYS A 98 13.061 8.340 -7.311 1.00 73.01 C ATOM 1543 CE LYS A 98 13.869 9.296 -8.158 1.00 1.04 C ATOM 1544 NZ LYS A 98 15.120 9.700 -7.481 1.00 50.33 N ATOM 0 H LYS A 98 9.081 8.215 -7.946 1.00 41.52 H new ATOM 0 HA LYS A 98 10.117 5.811 -8.774 1.00 62.35 H new ATOM 0 HB2 LYS A 98 10.724 7.406 -6.260 1.00 62.45 H new ATOM 0 HB3 LYS A 98 11.720 6.092 -6.853 1.00 62.45 H new ATOM 0 HG2 LYS A 98 12.088 7.384 -8.971 1.00 13.24 H new ATOM 0 HG3 LYS A 98 11.181 8.715 -8.280 1.00 13.24 H new ATOM 0 HD2 LYS A 98 12.778 8.830 -6.380 1.00 73.01 H new ATOM 0 HD3 LYS A 98 13.677 7.481 -7.045 1.00 73.01 H new ATOM 0 HE2 LYS A 98 14.107 8.826 -9.112 1.00 1.04 H new ATOM 0 HE3 LYS A 98 13.272 10.181 -8.379 1.00 1.04 H new ATOM 0 HZ1 LYS A 98 15.649 10.356 -8.091 1.00 50.33 H new ATOM 0 HZ2 LYS A 98 14.892 10.171 -6.582 1.00 50.33 H new ATOM 0 HZ3 LYS A 98 15.701 8.858 -7.293 1.00 50.33 H new ATOM 1558 N SER A 99 8.475 5.529 -5.927 1.00 2.11 N ATOM 1559 CA SER A 99 7.903 4.555 -5.017 1.00 10.02 C ATOM 1560 C SER A 99 6.885 3.622 -5.745 1.00 53.41 C ATOM 1561 O SER A 99 6.904 2.401 -5.551 1.00 54.43 O ATOM 1562 CB SER A 99 7.315 5.252 -3.780 1.00 62.10 C ATOM 1563 OG SER A 99 6.253 6.133 -4.094 1.00 40.31 O ATOM 0 H SER A 99 8.217 6.496 -5.732 1.00 2.11 H new ATOM 0 HA SER A 99 8.698 3.901 -4.659 1.00 10.02 H new ATOM 0 HB2 SER A 99 6.958 4.497 -3.080 1.00 62.10 H new ATOM 0 HB3 SER A 99 8.104 5.809 -3.274 1.00 62.10 H new ATOM 0 HG SER A 99 6.371 6.477 -5.004 1.00 40.31 H new ATOM 1569 N LEU A 100 6.034 4.203 -6.606 1.00 3.20 N ATOM 1570 CA LEU A 100 5.078 3.435 -7.454 1.00 55.32 C ATOM 1571 C LEU A 100 5.866 2.532 -8.412 1.00 33.44 C ATOM 1572 O LEU A 100 5.552 1.374 -8.547 1.00 52.13 O ATOM 1573 CB LEU A 100 4.179 4.414 -8.285 1.00 73.42 C ATOM 1574 CG LEU A 100 3.005 5.184 -7.613 1.00 22.01 C ATOM 1575 CD1 LEU A 100 1.767 4.331 -7.565 1.00 41.42 C ATOM 1576 CD2 LEU A 100 3.341 5.661 -6.211 1.00 2.51 C ATOM 0 H LEU A 100 5.981 5.213 -6.741 1.00 3.20 H new ATOM 0 HA LEU A 100 4.439 2.830 -6.811 1.00 55.32 H new ATOM 0 HB2 LEU A 100 4.841 5.160 -8.725 1.00 73.42 H new ATOM 0 HB3 LEU A 100 3.755 3.839 -9.108 1.00 73.42 H new ATOM 0 HG LEU A 100 2.825 6.065 -8.230 1.00 22.01 H new ATOM 0 HD11 LEU A 100 0.959 4.889 -7.091 1.00 41.42 H new ATOM 0 HD12 LEU A 100 1.474 4.058 -8.579 1.00 41.42 H new ATOM 0 HD13 LEU A 100 1.970 3.427 -6.990 1.00 41.42 H new ATOM 0 HD21 LEU A 100 2.486 6.191 -5.792 1.00 2.51 H new ATOM 0 HD22 LEU A 100 3.580 4.803 -5.582 1.00 2.51 H new ATOM 0 HD23 LEU A 100 4.199 6.332 -6.251 1.00 2.51 H new ATOM 1588 N GLU A 101 6.885 3.093 -9.060 1.00 33.12 N ATOM 1589 CA GLU A 101 7.782 2.342 -9.959 1.00 4.12 C ATOM 1590 C GLU A 101 8.352 1.153 -9.253 1.00 22.14 C ATOM 1591 O GLU A 101 8.273 0.032 -9.752 1.00 3.10 O ATOM 1592 CB GLU A 101 8.916 3.252 -10.398 1.00 15.14 C ATOM 1593 CG GLU A 101 8.491 4.328 -11.347 1.00 73.34 C ATOM 1594 CD GLU A 101 8.212 3.782 -12.717 1.00 0.24 C ATOM 1595 OE1 GLU A 101 7.350 2.928 -12.853 1.00 13.43 O ATOM 1596 OE2 GLU A 101 8.913 4.157 -13.672 1.00 71.32 O ATOM 0 H GLU A 101 7.119 4.083 -8.981 1.00 33.12 H new ATOM 0 HA GLU A 101 7.214 2.000 -10.824 1.00 4.12 H new ATOM 0 HB2 GLU A 101 9.362 3.713 -9.517 1.00 15.14 H new ATOM 0 HB3 GLU A 101 9.692 2.649 -10.870 1.00 15.14 H new ATOM 0 HG2 GLU A 101 7.598 4.820 -10.963 1.00 73.34 H new ATOM 0 HG3 GLU A 101 9.271 5.087 -11.410 1.00 73.34 H new ATOM 1603 N ALA A 102 8.902 1.407 -8.099 1.00 51.02 N ATOM 1604 CA ALA A 102 9.474 0.371 -7.267 1.00 53.23 C ATOM 1605 C ALA A 102 8.451 -0.717 -6.966 1.00 51.21 C ATOM 1606 O ALA A 102 8.733 -1.911 -7.123 1.00 24.10 O ATOM 1607 CB ALA A 102 10.014 0.961 -5.974 1.00 61.12 C ATOM 0 H ALA A 102 8.969 2.344 -7.701 1.00 51.02 H new ATOM 0 HA ALA A 102 10.300 -0.082 -7.816 1.00 53.23 H new ATOM 0 HB1 ALA A 102 10.440 0.166 -5.362 1.00 61.12 H new ATOM 0 HB2 ALA A 102 10.786 1.696 -6.204 1.00 61.12 H new ATOM 0 HB3 ALA A 102 9.204 1.445 -5.428 1.00 61.12 H new ATOM 1613 N MET A 103 7.247 -0.317 -6.559 1.00 62.24 N ATOM 1614 CA MET A 103 6.257 -1.291 -6.215 1.00 64.44 C ATOM 1615 C MET A 103 5.652 -2.012 -7.413 1.00 2.34 C ATOM 1616 O MET A 103 5.447 -3.223 -7.343 1.00 62.50 O ATOM 1617 CB MET A 103 5.186 -0.766 -5.265 1.00 53.11 C ATOM 1618 CG MET A 103 4.360 0.355 -5.708 1.00 31.34 C ATOM 1619 SD MET A 103 3.065 0.637 -4.508 1.00 1.14 S ATOM 1620 CE MET A 103 2.264 1.991 -5.253 1.00 11.24 C ATOM 0 H MET A 103 6.954 0.656 -6.466 1.00 62.24 H new ATOM 0 HA MET A 103 6.815 -2.047 -5.662 1.00 64.44 H new ATOM 0 HB2 MET A 103 4.521 -1.595 -5.023 1.00 53.11 H new ATOM 0 HB3 MET A 103 5.678 -0.471 -4.338 1.00 53.11 H new ATOM 0 HG2 MET A 103 4.971 1.251 -5.820 1.00 31.34 H new ATOM 0 HG3 MET A 103 3.927 0.140 -6.685 1.00 31.34 H new ATOM 0 HE1 MET A 103 1.226 2.026 -4.923 1.00 11.24 H new ATOM 0 HE2 MET A 103 2.768 2.914 -4.967 1.00 11.24 H new ATOM 0 HE3 MET A 103 2.296 1.881 -6.337 1.00 11.24 H new ATOM 1630 N LYS A 104 5.403 -1.288 -8.516 1.00 3.21 N ATOM 1631 CA LYS A 104 4.790 -1.869 -9.694 1.00 60.35 C ATOM 1632 C LYS A 104 5.662 -2.971 -10.276 1.00 12.32 C ATOM 1633 O LYS A 104 5.160 -3.998 -10.727 1.00 2.14 O ATOM 1634 CB LYS A 104 4.403 -0.775 -10.735 1.00 14.22 C ATOM 1635 CG LYS A 104 5.519 -0.043 -11.477 1.00 1.42 C ATOM 1636 CD LYS A 104 6.087 -0.855 -12.634 1.00 74.55 C ATOM 1637 CE LYS A 104 7.132 -0.080 -13.429 1.00 21.50 C ATOM 1638 NZ LYS A 104 8.267 0.348 -12.624 1.00 61.02 N ATOM 0 H LYS A 104 5.622 -0.296 -8.604 1.00 3.21 H new ATOM 0 HA LYS A 104 3.854 -2.342 -9.397 1.00 60.35 H new ATOM 0 HB2 LYS A 104 3.760 -1.241 -11.481 1.00 14.22 H new ATOM 0 HB3 LYS A 104 3.802 -0.026 -10.220 1.00 14.22 H new ATOM 0 HG2 LYS A 104 5.137 0.904 -11.857 1.00 1.42 H new ATOM 0 HG3 LYS A 104 6.320 0.194 -10.777 1.00 1.42 H new ATOM 0 HD2 LYS A 104 6.534 -1.771 -12.247 1.00 74.55 H new ATOM 0 HD3 LYS A 104 5.276 -1.153 -13.298 1.00 74.55 H new ATOM 0 HE2 LYS A 104 7.491 -0.703 -14.248 1.00 21.50 H new ATOM 0 HE3 LYS A 104 6.662 0.796 -13.877 1.00 21.50 H new ATOM 0 HZ1 LYS A 104 9.142 0.248 -13.177 1.00 61.02 H new ATOM 0 HZ2 LYS A 104 8.143 1.344 -12.350 1.00 61.02 H new ATOM 0 HZ3 LYS A 104 8.328 -0.241 -11.769 1.00 61.02 H new ATOM 1652 N SER A 105 6.973 -2.774 -10.211 1.00 1.22 N ATOM 1653 CA SER A 105 7.909 -3.756 -10.686 1.00 50.41 C ATOM 1654 C SER A 105 7.876 -4.986 -9.777 1.00 21.31 C ATOM 1655 O SER A 105 7.936 -6.119 -10.241 1.00 74.15 O ATOM 1656 CB SER A 105 9.316 -3.158 -10.730 1.00 12.31 C ATOM 1657 OG SER A 105 9.354 -1.994 -11.554 1.00 63.45 O ATOM 0 H SER A 105 7.404 -1.932 -9.829 1.00 1.22 H new ATOM 0 HA SER A 105 7.631 -4.060 -11.695 1.00 50.41 H new ATOM 0 HB2 SER A 105 9.638 -2.903 -9.720 1.00 12.31 H new ATOM 0 HB3 SER A 105 10.018 -3.900 -11.111 1.00 12.31 H new ATOM 0 HG SER A 105 9.923 -1.315 -11.135 1.00 63.45 H new ATOM 1663 N HIS A 106 7.732 -4.744 -8.486 1.00 45.03 N ATOM 1664 CA HIS A 106 7.707 -5.810 -7.504 1.00 44.44 C ATOM 1665 C HIS A 106 6.457 -6.654 -7.615 1.00 71.54 C ATOM 1666 O HIS A 106 6.540 -7.884 -7.598 1.00 23.40 O ATOM 1667 CB HIS A 106 7.830 -5.266 -6.090 1.00 22.14 C ATOM 1668 CG HIS A 106 7.825 -6.357 -5.083 1.00 15.41 C ATOM 1669 ND1 HIS A 106 6.861 -6.503 -4.131 1.00 42.34 N ATOM 1670 CD2 HIS A 106 8.677 -7.358 -4.906 1.00 60.13 C ATOM 1671 CE1 HIS A 106 7.125 -7.540 -3.399 1.00 54.32 C ATOM 1672 NE2 HIS A 106 8.233 -8.084 -3.841 1.00 14.15 N ATOM 0 H HIS A 106 7.630 -3.809 -8.092 1.00 45.03 H new ATOM 0 HA HIS A 106 8.569 -6.443 -7.716 1.00 44.44 H new ATOM 0 HB2 HIS A 106 8.751 -4.691 -6.000 1.00 22.14 H new ATOM 0 HB3 HIS A 106 7.006 -4.581 -5.890 1.00 22.14 H new ATOM 0 HD2 HIS A 106 9.559 -7.560 -5.496 1.00 60.13 H new ATOM 0 HE1 HIS A 106 6.534 -7.895 -2.568 1.00 54.32 H new ATOM 0 HE2 HIS A 106 8.687 -8.911 -3.453 1.00 14.15 H new ATOM 1681 N CYS A 107 5.312 -6.011 -7.705 1.00 42.23 N ATOM 1682 CA CYS A 107 4.063 -6.726 -7.803 1.00 13.21 C ATOM 1683 C CYS A 107 4.027 -7.664 -9.004 1.00 53.40 C ATOM 1684 O CYS A 107 3.459 -8.741 -8.933 1.00 74.43 O ATOM 1685 CB CYS A 107 2.855 -5.789 -7.688 1.00 32.42 C ATOM 1686 SG CYS A 107 2.957 -4.303 -8.668 1.00 23.42 S ATOM 0 H CYS A 107 5.223 -4.995 -7.712 1.00 42.23 H new ATOM 0 HA CYS A 107 3.990 -7.385 -6.938 1.00 13.21 H new ATOM 0 HB2 CYS A 107 1.960 -6.338 -7.980 1.00 32.42 H new ATOM 0 HB3 CYS A 107 2.730 -5.509 -6.642 1.00 32.42 H new ATOM 0 HG CYS A 107 3.897 -3.537 -8.199 1.00 23.42 H new ATOM 1692 N LEU A 108 4.688 -7.271 -10.083 1.00 21.33 N ATOM 1693 CA LEU A 108 4.819 -8.119 -11.256 1.00 34.03 C ATOM 1694 C LEU A 108 5.555 -9.400 -10.910 1.00 0.15 C ATOM 1695 O LEU A 108 5.142 -10.491 -11.289 1.00 43.53 O ATOM 1696 CB LEU A 108 5.625 -7.408 -12.328 1.00 64.55 C ATOM 1697 CG LEU A 108 5.062 -6.119 -12.857 1.00 63.02 C ATOM 1698 CD1 LEU A 108 5.999 -5.542 -13.897 1.00 63.24 C ATOM 1699 CD2 LEU A 108 3.684 -6.349 -13.427 1.00 64.33 C ATOM 0 H LEU A 108 5.145 -6.363 -10.169 1.00 21.33 H new ATOM 0 HA LEU A 108 3.814 -8.344 -11.613 1.00 34.03 H new ATOM 0 HB2 LEU A 108 6.618 -7.206 -11.928 1.00 64.55 H new ATOM 0 HB3 LEU A 108 5.753 -8.092 -13.167 1.00 64.55 H new ATOM 0 HG LEU A 108 4.970 -5.400 -12.043 1.00 63.02 H new ATOM 0 HD11 LEU A 108 5.588 -4.607 -14.279 1.00 63.24 H new ATOM 0 HD12 LEU A 108 6.972 -5.352 -13.445 1.00 63.24 H new ATOM 0 HD13 LEU A 108 6.112 -6.250 -14.718 1.00 63.24 H new ATOM 0 HD21 LEU A 108 3.286 -5.408 -13.807 1.00 64.33 H new ATOM 0 HD22 LEU A 108 3.743 -7.073 -14.240 1.00 64.33 H new ATOM 0 HD23 LEU A 108 3.027 -6.732 -12.646 1.00 64.33 H new ATOM 1711 N LYS A 109 6.623 -9.259 -10.135 1.00 63.11 N ATOM 1712 CA LYS A 109 7.517 -10.373 -9.838 1.00 20.21 C ATOM 1713 C LYS A 109 6.918 -11.293 -8.805 1.00 14.31 C ATOM 1714 O LYS A 109 7.392 -12.403 -8.572 1.00 41.10 O ATOM 1715 CB LYS A 109 8.836 -9.811 -9.362 1.00 73.11 C ATOM 1716 CG LYS A 109 9.387 -8.838 -10.354 1.00 31.45 C ATOM 1717 CD LYS A 109 10.700 -8.219 -9.923 1.00 42.44 C ATOM 1718 CE LYS A 109 11.152 -7.196 -10.951 1.00 3.53 C ATOM 1719 NZ LYS A 109 12.400 -6.527 -10.562 1.00 32.35 N ATOM 0 H LYS A 109 6.893 -8.378 -9.698 1.00 63.11 H new ATOM 0 HA LYS A 109 7.672 -10.967 -10.739 1.00 20.21 H new ATOM 0 HB2 LYS A 109 8.700 -9.318 -8.399 1.00 73.11 H new ATOM 0 HB3 LYS A 109 9.548 -10.622 -9.207 1.00 73.11 H new ATOM 0 HG2 LYS A 109 9.529 -9.345 -11.309 1.00 31.45 H new ATOM 0 HG3 LYS A 109 8.657 -8.046 -10.519 1.00 31.45 H new ATOM 0 HD2 LYS A 109 10.585 -7.743 -8.949 1.00 42.44 H new ATOM 0 HD3 LYS A 109 11.458 -8.994 -9.811 1.00 42.44 H new ATOM 0 HE2 LYS A 109 11.291 -7.689 -11.913 1.00 3.53 H new ATOM 0 HE3 LYS A 109 10.369 -6.450 -11.086 1.00 3.53 H new ATOM 0 HZ1 LYS A 109 12.668 -5.839 -11.294 1.00 32.35 H new ATOM 0 HZ2 LYS A 109 12.262 -6.034 -9.657 1.00 32.35 H new ATOM 0 HZ3 LYS A 109 13.155 -7.234 -10.459 1.00 32.35 H new ATOM 1733 N ASN A 110 5.903 -10.810 -8.165 1.00 21.14 N ATOM 1734 CA ASN A 110 5.215 -11.586 -7.133 1.00 50.14 C ATOM 1735 C ASN A 110 3.860 -12.072 -7.597 1.00 22.40 C ATOM 1736 O ASN A 110 3.157 -12.754 -6.857 1.00 4.31 O ATOM 1737 CB ASN A 110 5.078 -10.818 -5.799 1.00 65.43 C ATOM 1738 CG ASN A 110 6.403 -10.546 -5.086 1.00 52.03 C ATOM 1739 OD1 ASN A 110 7.460 -10.294 -5.826 1.00 30.44 O flip ATOM 1740 ND2 ASN A 110 6.455 -10.522 -3.867 1.00 44.04 N flip ATOM 0 H ASN A 110 5.516 -9.880 -8.325 1.00 21.14 H new ATOM 0 HA ASN A 110 5.848 -12.455 -6.950 1.00 50.14 H new ATOM 0 HB2 ASN A 110 4.581 -9.867 -5.991 1.00 65.43 H new ATOM 0 HB3 ASN A 110 4.431 -11.387 -5.132 1.00 65.43 H new ATOM 0 HD21 ASN A 110 5.620 -10.721 -3.317 1.00 44.04 H new ATOM 0 HD22 ASN A 110 7.334 -10.302 -3.398 1.00 44.04 H new ATOM 1747 N GLY A 111 3.500 -11.731 -8.822 1.00 1.45 N ATOM 1748 CA GLY A 111 2.218 -12.149 -9.366 1.00 34.11 C ATOM 1749 C GLY A 111 1.060 -11.460 -8.684 1.00 52.35 C ATOM 1750 O GLY A 111 0.034 -12.074 -8.406 1.00 54.23 O ATOM 0 H GLY A 111 4.071 -11.171 -9.455 1.00 1.45 H new ATOM 0 HA2 GLY A 111 2.190 -11.933 -10.434 1.00 34.11 H new ATOM 0 HA3 GLY A 111 2.113 -13.228 -9.256 1.00 34.11 H new ATOM 1754 N VAL A 112 1.229 -10.196 -8.410 1.00 32.21 N ATOM 1755 CA VAL A 112 0.223 -9.417 -7.756 1.00 54.10 C ATOM 1756 C VAL A 112 -0.427 -8.476 -8.754 1.00 14.31 C ATOM 1757 O VAL A 112 0.230 -7.615 -9.333 1.00 11.31 O ATOM 1758 CB VAL A 112 0.808 -8.608 -6.564 1.00 31.25 C ATOM 1759 CG1 VAL A 112 -0.258 -7.744 -5.910 1.00 53.32 C ATOM 1760 CG2 VAL A 112 1.419 -9.546 -5.538 1.00 21.23 C ATOM 0 H VAL A 112 2.077 -9.677 -8.638 1.00 32.21 H new ATOM 0 HA VAL A 112 -0.525 -10.101 -7.356 1.00 54.10 H new ATOM 0 HB VAL A 112 1.586 -7.952 -6.955 1.00 31.25 H new ATOM 0 HG11 VAL A 112 0.181 -7.190 -5.080 1.00 53.32 H new ATOM 0 HG12 VAL A 112 -0.658 -7.043 -6.643 1.00 53.32 H new ATOM 0 HG13 VAL A 112 -1.063 -8.378 -5.538 1.00 53.32 H new ATOM 0 HG21 VAL A 112 1.824 -8.965 -4.710 1.00 21.23 H new ATOM 0 HG22 VAL A 112 0.653 -10.225 -5.164 1.00 21.23 H new ATOM 0 HG23 VAL A 112 2.219 -10.122 -6.003 1.00 21.23 H new ATOM 1770 N THR A 113 -1.697 -8.670 -8.964 1.00 65.22 N ATOM 1771 CA THR A 113 -2.469 -7.858 -9.875 1.00 54.52 C ATOM 1772 C THR A 113 -3.682 -7.268 -9.123 1.00 30.52 C ATOM 1773 O THR A 113 -4.575 -6.647 -9.716 1.00 35.55 O ATOM 1774 CB THR A 113 -2.924 -8.706 -11.115 1.00 51.40 C ATOM 1775 OG1 THR A 113 -3.642 -7.899 -12.068 1.00 62.02 O ATOM 1776 CG2 THR A 113 -3.791 -9.890 -10.690 1.00 2.22 C ATOM 0 H THR A 113 -2.237 -9.404 -8.505 1.00 65.22 H new ATOM 0 HA THR A 113 -1.854 -7.039 -10.248 1.00 54.52 H new ATOM 0 HB THR A 113 -2.019 -9.086 -11.589 1.00 51.40 H new ATOM 0 HG1 THR A 113 -3.005 -7.442 -12.656 1.00 62.02 H new ATOM 0 HG21 THR A 113 -4.090 -10.457 -11.572 1.00 2.22 H new ATOM 0 HG22 THR A 113 -3.223 -10.535 -10.019 1.00 2.22 H new ATOM 0 HG23 THR A 113 -4.680 -9.524 -10.176 1.00 2.22 H new ATOM 1784 N ASP A 114 -3.693 -7.453 -7.816 1.00 54.20 N ATOM 1785 CA ASP A 114 -4.737 -6.900 -6.963 1.00 45.13 C ATOM 1786 C ASP A 114 -4.064 -6.034 -5.926 1.00 43.30 C ATOM 1787 O ASP A 114 -3.220 -6.519 -5.166 1.00 70.32 O ATOM 1788 CB ASP A 114 -5.498 -8.027 -6.247 1.00 2.35 C ATOM 1789 CG ASP A 114 -6.181 -9.001 -7.163 1.00 42.15 C ATOM 1790 OD1 ASP A 114 -7.342 -8.769 -7.537 1.00 45.12 O ATOM 1791 OD2 ASP A 114 -5.578 -10.032 -7.519 1.00 30.44 O ATOM 0 H ASP A 114 -2.984 -7.988 -7.314 1.00 54.20 H new ATOM 0 HA ASP A 114 -5.444 -6.329 -7.564 1.00 45.13 H new ATOM 0 HB2 ASP A 114 -4.800 -8.573 -5.613 1.00 2.35 H new ATOM 0 HB3 ASP A 114 -6.245 -7.582 -5.589 1.00 2.35 H new ATOM 1796 N LEU A 115 -4.397 -4.774 -5.875 1.00 4.41 N ATOM 1797 CA LEU A 115 -3.734 -3.889 -4.955 1.00 52.33 C ATOM 1798 C LEU A 115 -4.738 -2.869 -4.360 1.00 25.21 C ATOM 1799 O LEU A 115 -5.628 -2.398 -5.066 1.00 61.11 O ATOM 1800 CB LEU A 115 -2.622 -3.174 -5.702 1.00 43.23 C ATOM 1801 CG LEU A 115 -1.570 -2.508 -4.845 1.00 13.32 C ATOM 1802 CD1 LEU A 115 -0.688 -3.540 -4.180 1.00 12.13 C ATOM 1803 CD2 LEU A 115 -0.767 -1.493 -5.629 1.00 62.21 C ATOM 0 H LEU A 115 -5.116 -4.339 -6.453 1.00 4.41 H new ATOM 0 HA LEU A 115 -3.316 -4.459 -4.125 1.00 52.33 H new ATOM 0 HB2 LEU A 115 -2.128 -3.894 -6.355 1.00 43.23 H new ATOM 0 HB3 LEU A 115 -3.071 -2.417 -6.345 1.00 43.23 H new ATOM 0 HG LEU A 115 -2.081 -1.955 -4.057 1.00 13.32 H new ATOM 0 HD11 LEU A 115 0.062 -3.038 -3.568 1.00 12.13 H new ATOM 0 HD12 LEU A 115 -1.297 -4.187 -3.549 1.00 12.13 H new ATOM 0 HD13 LEU A 115 -0.192 -4.140 -4.943 1.00 12.13 H new ATOM 0 HD21 LEU A 115 -0.022 -1.037 -4.977 1.00 62.21 H new ATOM 0 HD22 LEU A 115 -0.267 -1.989 -6.461 1.00 62.21 H new ATOM 0 HD23 LEU A 115 -1.433 -0.721 -6.014 1.00 62.21 H new ATOM 1815 N SER A 116 -4.584 -2.506 -3.088 1.00 52.12 N ATOM 1816 CA SER A 116 -5.463 -1.561 -2.474 1.00 0.52 C ATOM 1817 C SER A 116 -4.653 -0.490 -1.759 1.00 73.23 C ATOM 1818 O SER A 116 -3.621 -0.788 -1.145 1.00 74.10 O ATOM 1819 CB SER A 116 -6.453 -2.277 -1.526 1.00 40.14 C ATOM 1820 OG SER A 116 -5.776 -3.078 -0.555 1.00 32.34 O ATOM 0 H SER A 116 -3.851 -2.863 -2.476 1.00 52.12 H new ATOM 0 HA SER A 116 -6.059 -1.067 -3.242 1.00 0.52 H new ATOM 0 HB2 SER A 116 -7.070 -1.536 -1.019 1.00 40.14 H new ATOM 0 HB3 SER A 116 -7.125 -2.905 -2.110 1.00 40.14 H new ATOM 0 HG SER A 116 -5.019 -3.535 -0.978 1.00 32.34 H new ATOM 1826 N MET A 117 -5.077 0.739 -1.872 1.00 32.24 N ATOM 1827 CA MET A 117 -4.377 1.841 -1.251 1.00 72.41 C ATOM 1828 C MET A 117 -5.383 2.902 -0.813 1.00 63.35 C ATOM 1829 O MET A 117 -6.503 2.942 -1.331 1.00 44.34 O ATOM 1830 CB MET A 117 -3.315 2.422 -2.223 1.00 60.51 C ATOM 1831 CG MET A 117 -3.873 3.013 -3.502 1.00 73.30 C ATOM 1832 SD MET A 117 -2.603 3.503 -4.680 1.00 2.23 S ATOM 1833 CE MET A 117 -1.751 1.955 -4.956 1.00 40.15 C ATOM 0 H MET A 117 -5.912 1.009 -2.393 1.00 32.24 H new ATOM 0 HA MET A 117 -3.848 1.487 -0.366 1.00 72.41 H new ATOM 0 HB2 MET A 117 -2.750 3.194 -1.700 1.00 60.51 H new ATOM 0 HB3 MET A 117 -2.611 1.631 -2.483 1.00 60.51 H new ATOM 0 HG2 MET A 117 -4.532 2.284 -3.973 1.00 73.30 H new ATOM 0 HG3 MET A 117 -4.483 3.882 -3.255 1.00 73.30 H new ATOM 0 HE1 MET A 117 -1.298 1.961 -5.947 1.00 40.15 H new ATOM 0 HE2 MET A 117 -0.974 1.828 -4.202 1.00 40.15 H new ATOM 0 HE3 MET A 117 -2.461 1.131 -4.887 1.00 40.15 H new ATOM 1843 N PRO A 118 -5.030 3.745 0.167 1.00 54.41 N ATOM 1844 CA PRO A 118 -5.909 4.792 0.650 1.00 62.45 C ATOM 1845 C PRO A 118 -5.675 6.088 -0.124 1.00 32.40 C ATOM 1846 O PRO A 118 -5.178 6.067 -1.257 1.00 62.12 O ATOM 1847 CB PRO A 118 -5.440 4.946 2.096 1.00 43.20 C ATOM 1848 CG PRO A 118 -3.969 4.698 2.038 1.00 30.35 C ATOM 1849 CD PRO A 118 -3.737 3.752 0.883 1.00 72.05 C ATOM 0 HA PRO A 118 -6.970 4.566 0.544 1.00 62.45 H new ATOM 0 HB2 PRO A 118 -5.660 5.942 2.481 1.00 43.20 H new ATOM 0 HB3 PRO A 118 -5.938 4.233 2.753 1.00 43.20 H new ATOM 0 HG2 PRO A 118 -3.424 5.631 1.891 1.00 30.35 H new ATOM 0 HG3 PRO A 118 -3.612 4.264 2.972 1.00 30.35 H new ATOM 0 HD2 PRO A 118 -2.926 4.096 0.241 1.00 72.05 H new ATOM 0 HD3 PRO A 118 -3.467 2.755 1.231 1.00 72.05 H new ATOM 1857 N ARG A 119 -6.021 7.211 0.475 1.00 14.33 N ATOM 1858 CA ARG A 119 -5.802 8.475 -0.169 1.00 20.55 C ATOM 1859 C ARG A 119 -4.329 8.877 -0.015 1.00 61.03 C ATOM 1860 O ARG A 119 -3.940 9.511 0.972 1.00 13.10 O ATOM 1861 CB ARG A 119 -6.716 9.574 0.400 1.00 44.45 C ATOM 1862 CG ARG A 119 -6.589 10.902 -0.333 1.00 44.13 C ATOM 1863 CD ARG A 119 -7.367 12.036 0.342 1.00 44.05 C ATOM 1864 NE ARG A 119 -8.803 11.779 0.457 1.00 22.32 N ATOM 1865 CZ ARG A 119 -9.744 12.382 -0.290 1.00 53.15 C ATOM 1866 NH1 ARG A 119 -9.394 13.247 -1.249 1.00 4.52 N ATOM 1867 NH2 ARG A 119 -11.031 12.137 -0.057 1.00 53.43 N ATOM 0 H ARG A 119 -6.451 7.266 1.398 1.00 14.33 H new ATOM 0 HA ARG A 119 -6.047 8.365 -1.225 1.00 20.55 H new ATOM 0 HB2 ARG A 119 -7.752 9.237 0.351 1.00 44.45 H new ATOM 0 HB3 ARG A 119 -6.480 9.724 1.453 1.00 44.45 H new ATOM 0 HG2 ARG A 119 -5.536 11.178 -0.394 1.00 44.13 H new ATOM 0 HG3 ARG A 119 -6.947 10.782 -1.356 1.00 44.13 H new ATOM 0 HD2 ARG A 119 -6.956 12.204 1.338 1.00 44.05 H new ATOM 0 HD3 ARG A 119 -7.216 12.955 -0.224 1.00 44.05 H new ATOM 0 HE ARG A 119 -9.110 11.097 1.150 1.00 22.32 H new ATOM 0 HH11 ARG A 119 -8.409 13.452 -1.416 1.00 4.52 H new ATOM 0 HH12 ARG A 119 -10.112 13.702 -1.813 1.00 4.52 H new ATOM 0 HH21 ARG A 119 -11.301 11.493 0.687 1.00 53.43 H new ATOM 0 HH22 ARG A 119 -11.747 12.593 -0.622 1.00 53.43 H new ATOM 1980 N LEU A 127 0.905 18.174 -3.472 1.00 41.10 N ATOM 1981 CA LEU A 127 0.251 17.018 -4.025 1.00 61.43 C ATOM 1982 C LEU A 127 -1.212 17.034 -3.763 1.00 25.53 C ATOM 1983 O LEU A 127 -1.667 17.349 -2.658 1.00 3.22 O ATOM 1984 CB LEU A 127 0.855 15.681 -3.593 1.00 14.22 C ATOM 1985 CG LEU A 127 2.275 15.368 -4.059 1.00 20.05 C ATOM 1986 CD1 LEU A 127 3.299 16.263 -3.408 1.00 24.12 C ATOM 1987 CD2 LEU A 127 2.592 13.908 -3.851 1.00 23.05 C ATOM 0 HA LEU A 127 0.423 17.094 -5.099 1.00 61.43 H new ATOM 0 HB2 LEU A 127 0.842 15.642 -2.504 1.00 14.22 H new ATOM 0 HB3 LEU A 127 0.201 14.885 -3.949 1.00 14.22 H new ATOM 0 HG LEU A 127 2.325 15.575 -5.128 1.00 20.05 H new ATOM 0 HD11 LEU A 127 4.293 16.002 -3.771 1.00 24.12 H new ATOM 0 HD12 LEU A 127 3.083 17.302 -3.655 1.00 24.12 H new ATOM 0 HD13 LEU A 127 3.262 16.132 -2.327 1.00 24.12 H new ATOM 0 HD21 LEU A 127 3.608 13.705 -4.189 1.00 23.05 H new ATOM 0 HD22 LEU A 127 2.506 13.664 -2.792 1.00 23.05 H new ATOM 0 HD23 LEU A 127 1.891 13.299 -4.421 1.00 23.05 H new ATOM 1999 N GLN A 128 -1.919 16.673 -4.773 1.00 4.30 N ATOM 2000 CA GLN A 128 -3.321 16.632 -4.809 1.00 24.41 C ATOM 2001 C GLN A 128 -3.665 15.343 -5.515 1.00 73.34 C ATOM 2002 O GLN A 128 -2.896 14.928 -6.401 1.00 1.11 O ATOM 2003 CB GLN A 128 -3.803 17.815 -5.622 1.00 53.50 C ATOM 2004 CG GLN A 128 -5.276 17.881 -5.750 1.00 43.22 C ATOM 2005 CD GLN A 128 -5.737 19.002 -6.642 1.00 73.00 C ATOM 2006 OE1 GLN A 128 -5.903 18.822 -7.849 1.00 70.20 O ATOM 2007 NE2 GLN A 128 -5.907 20.161 -6.083 1.00 32.22 N ATOM 0 H GLN A 128 -1.495 16.380 -5.653 1.00 4.30 H new ATOM 0 HA GLN A 128 -3.778 16.676 -3.821 1.00 24.41 H new ATOM 0 HB2 GLN A 128 -3.445 18.734 -5.159 1.00 53.50 H new ATOM 0 HB3 GLN A 128 -3.361 17.766 -6.617 1.00 53.50 H new ATOM 0 HG2 GLN A 128 -5.644 16.934 -6.145 1.00 43.22 H new ATOM 0 HG3 GLN A 128 -5.716 18.006 -4.761 1.00 43.22 H new ATOM 0 HE21 GLN A 128 -5.760 20.270 -5.080 1.00 32.22 H new ATOM 0 HE22 GLN A 128 -6.188 20.963 -6.647 1.00 32.22 H new ATOM 2016 N TRP A 129 -4.790 14.726 -5.172 1.00 51.24 N ATOM 2017 CA TRP A 129 -5.137 13.414 -5.712 1.00 63.20 C ATOM 2018 C TRP A 129 -5.167 13.376 -7.245 1.00 62.11 C ATOM 2019 O TRP A 129 -4.723 12.406 -7.843 1.00 0.12 O ATOM 2020 CB TRP A 129 -6.453 12.862 -5.134 1.00 50.02 C ATOM 2021 CG TRP A 129 -6.722 11.493 -5.663 1.00 64.44 C ATOM 2022 CD1 TRP A 129 -7.560 11.147 -6.680 1.00 44.53 C ATOM 2023 CD2 TRP A 129 -6.091 10.296 -5.237 1.00 42.43 C ATOM 2024 NE1 TRP A 129 -7.480 9.803 -6.911 1.00 53.24 N ATOM 2025 CE2 TRP A 129 -6.586 9.254 -6.029 1.00 63.13 C ATOM 2026 CE3 TRP A 129 -5.153 10.006 -4.257 1.00 1.25 C ATOM 2027 CZ2 TRP A 129 -6.165 7.941 -5.872 1.00 64.22 C ATOM 2028 CZ3 TRP A 129 -4.746 8.709 -4.100 1.00 23.25 C ATOM 2029 CH2 TRP A 129 -5.246 7.690 -4.901 1.00 43.05 C ATOM 0 H TRP A 129 -5.477 15.111 -4.524 1.00 51.24 H new ATOM 0 HA TRP A 129 -4.328 12.759 -5.389 1.00 63.20 H new ATOM 0 HB2 TRP A 129 -6.395 12.833 -4.046 1.00 50.02 H new ATOM 0 HB3 TRP A 129 -7.278 13.527 -5.392 1.00 50.02 H new ATOM 0 HD1 TRP A 129 -8.193 11.833 -7.223 1.00 44.53 H new ATOM 0 HE1 TRP A 129 -8.001 9.292 -7.624 1.00 53.24 H new ATOM 0 HE3 TRP A 129 -4.752 10.789 -3.630 1.00 1.25 H new ATOM 0 HZ2 TRP A 129 -6.552 7.149 -6.496 1.00 64.22 H new ATOM 0 HZ3 TRP A 129 -4.020 8.472 -3.336 1.00 23.25 H new ATOM 0 HH2 TRP A 129 -4.898 6.679 -4.750 1.00 43.05 H new ATOM 2040 N GLU A 130 -5.672 14.434 -7.858 1.00 31.44 N ATOM 2041 CA GLU A 130 -5.768 14.541 -9.319 1.00 44.35 C ATOM 2042 C GLU A 130 -4.409 14.220 -9.987 1.00 44.23 C ATOM 2043 O GLU A 130 -4.335 13.460 -10.960 1.00 5.24 O ATOM 2044 CB GLU A 130 -6.207 15.964 -9.689 1.00 55.23 C ATOM 2045 CG GLU A 130 -6.463 16.176 -11.167 1.00 54.33 C ATOM 2046 CD GLU A 130 -7.628 15.364 -11.680 1.00 42.31 C ATOM 2047 OE1 GLU A 130 -7.451 14.184 -12.017 1.00 1.45 O ATOM 2048 OE2 GLU A 130 -8.740 15.905 -11.776 1.00 31.32 O ATOM 0 H GLU A 130 -6.030 15.250 -7.362 1.00 31.44 H new ATOM 0 HA GLU A 130 -6.501 13.819 -9.679 1.00 44.35 H new ATOM 0 HB2 GLU A 130 -7.115 16.206 -9.137 1.00 55.23 H new ATOM 0 HB3 GLU A 130 -5.439 16.665 -9.362 1.00 55.23 H new ATOM 0 HG2 GLU A 130 -6.654 17.233 -11.350 1.00 54.33 H new ATOM 0 HG3 GLU A 130 -5.567 15.912 -11.728 1.00 54.33 H new ATOM 2055 N ASN A 131 -3.345 14.764 -9.417 1.00 65.35 N ATOM 2056 CA ASN A 131 -1.996 14.571 -9.952 1.00 25.13 C ATOM 2057 C ASN A 131 -1.497 13.172 -9.644 1.00 72.20 C ATOM 2058 O ASN A 131 -0.761 12.574 -10.431 1.00 34.22 O ATOM 2059 CB ASN A 131 -1.005 15.607 -9.377 1.00 32.33 C ATOM 2060 CG ASN A 131 -1.357 17.050 -9.720 1.00 51.13 C ATOM 2061 OD1 ASN A 131 -2.105 17.696 -8.857 1.00 31.10 O flip ATOM 2062 ND2 ASN A 131 -0.939 17.582 -10.745 1.00 4.13 N flip ATOM 0 H ASN A 131 -3.385 15.346 -8.580 1.00 65.35 H new ATOM 0 HA ASN A 131 -2.052 14.708 -11.032 1.00 25.13 H new ATOM 0 HB2 ASN A 131 -0.969 15.499 -8.293 1.00 32.33 H new ATOM 0 HB3 ASN A 131 -0.005 15.387 -9.752 1.00 32.33 H new ATOM 0 HD21 ASN A 131 -0.359 17.051 -11.395 1.00 4.13 H new ATOM 0 HD22 ASN A 131 -1.171 18.555 -10.946 1.00 4.13 H new ATOM 2069 N VAL A 132 -1.916 12.650 -8.506 1.00 34.13 N ATOM 2070 CA VAL A 132 -1.499 11.330 -8.056 1.00 12.43 C ATOM 2071 C VAL A 132 -2.159 10.239 -8.900 1.00 75.52 C ATOM 2072 O VAL A 132 -1.482 9.348 -9.397 1.00 70.31 O ATOM 2073 CB VAL A 132 -1.836 11.110 -6.555 1.00 24.22 C ATOM 2074 CG1 VAL A 132 -1.393 9.731 -6.089 1.00 75.43 C ATOM 2075 CG2 VAL A 132 -1.192 12.187 -5.696 1.00 43.24 C ATOM 0 H VAL A 132 -2.553 13.126 -7.867 1.00 34.13 H new ATOM 0 HA VAL A 132 -0.417 11.270 -8.177 1.00 12.43 H new ATOM 0 HB VAL A 132 -2.918 11.176 -6.445 1.00 24.22 H new ATOM 0 HG11 VAL A 132 -1.642 9.606 -5.035 1.00 75.43 H new ATOM 0 HG12 VAL A 132 -1.904 8.967 -6.676 1.00 75.43 H new ATOM 0 HG13 VAL A 132 -0.316 9.631 -6.222 1.00 75.43 H new ATOM 0 HG21 VAL A 132 -1.441 12.014 -4.649 1.00 43.24 H new ATOM 0 HG22 VAL A 132 -0.110 12.154 -5.822 1.00 43.24 H new ATOM 0 HG23 VAL A 132 -1.563 13.166 -6.000 1.00 43.24 H new ATOM 2085 N SER A 133 -3.471 10.348 -9.072 1.00 11.42 N ATOM 2086 CA SER A 133 -4.255 9.393 -9.837 1.00 70.25 C ATOM 2087 C SER A 133 -3.679 9.236 -11.252 1.00 54.01 C ATOM 2088 O SER A 133 -3.460 8.111 -11.728 1.00 30.21 O ATOM 2089 CB SER A 133 -5.727 9.861 -9.876 1.00 11.12 C ATOM 2090 OG SER A 133 -6.568 8.955 -10.563 1.00 71.34 O ATOM 0 H SER A 133 -4.024 11.110 -8.679 1.00 11.42 H new ATOM 0 HA SER A 133 -4.211 8.415 -9.358 1.00 70.25 H new ATOM 0 HB2 SER A 133 -6.091 9.987 -8.856 1.00 11.12 H new ATOM 0 HB3 SER A 133 -5.781 10.838 -10.357 1.00 11.12 H new ATOM 0 HG SER A 133 -7.426 8.885 -10.094 1.00 71.34 H new ATOM 2096 N ALA A 134 -3.382 10.370 -11.892 1.00 5.32 N ATOM 2097 CA ALA A 134 -2.811 10.372 -13.231 1.00 44.22 C ATOM 2098 C ALA A 134 -1.460 9.678 -13.229 1.00 51.30 C ATOM 2099 O ALA A 134 -1.203 8.826 -14.055 1.00 50.11 O ATOM 2100 CB ALA A 134 -2.685 11.792 -13.755 1.00 32.43 C ATOM 0 H ALA A 134 -3.530 11.299 -11.498 1.00 5.32 H new ATOM 0 HA ALA A 134 -3.479 9.823 -13.895 1.00 44.22 H new ATOM 0 HB1 ALA A 134 -2.256 11.773 -14.757 1.00 32.43 H new ATOM 0 HB2 ALA A 134 -3.671 12.255 -13.791 1.00 32.43 H new ATOM 0 HB3 ALA A 134 -2.037 12.368 -13.094 1.00 32.43 H new ATOM 2106 N MET A 135 -0.631 10.035 -12.263 1.00 1.35 N ATOM 2107 CA MET A 135 0.705 9.461 -12.075 1.00 73.33 C ATOM 2108 C MET A 135 0.638 7.945 -11.959 1.00 71.11 C ATOM 2109 O MET A 135 1.410 7.232 -12.596 1.00 62.13 O ATOM 2110 CB MET A 135 1.328 10.021 -10.801 1.00 31.33 C ATOM 2111 CG MET A 135 2.707 9.470 -10.485 1.00 52.24 C ATOM 2112 SD MET A 135 3.345 10.065 -8.910 1.00 20.10 S ATOM 2113 CE MET A 135 3.341 11.829 -9.182 1.00 41.12 C ATOM 0 H MET A 135 -0.866 10.746 -11.570 1.00 1.35 H new ATOM 0 HA MET A 135 1.310 9.724 -12.943 1.00 73.33 H new ATOM 0 HB2 MET A 135 1.394 11.105 -10.889 1.00 31.33 H new ATOM 0 HB3 MET A 135 0.664 9.810 -9.963 1.00 31.33 H new ATOM 0 HG2 MET A 135 2.664 8.381 -10.467 1.00 52.24 H new ATOM 0 HG3 MET A 135 3.397 9.749 -11.281 1.00 52.24 H new ATOM 0 HE1 MET A 135 3.918 12.319 -8.398 1.00 41.12 H new ATOM 0 HE2 MET A 135 3.787 12.049 -10.152 1.00 41.12 H new ATOM 0 HE3 MET A 135 2.315 12.198 -9.163 1.00 41.12 H new ATOM 2123 N ILE A 136 -0.294 7.463 -11.152 1.00 30.34 N ATOM 2124 CA ILE A 136 -0.485 6.036 -10.952 1.00 51.33 C ATOM 2125 C ILE A 136 -0.836 5.372 -12.272 1.00 73.21 C ATOM 2126 O ILE A 136 -0.303 4.309 -12.611 1.00 43.41 O ATOM 2127 CB ILE A 136 -1.583 5.759 -9.888 1.00 1.34 C ATOM 2128 CG1 ILE A 136 -1.150 6.349 -8.541 1.00 61.25 C ATOM 2129 CG2 ILE A 136 -1.875 4.258 -9.755 1.00 43.34 C ATOM 2130 CD1 ILE A 136 -2.164 6.184 -7.429 1.00 12.13 C ATOM 0 H ILE A 136 -0.937 8.048 -10.619 1.00 30.34 H new ATOM 0 HA ILE A 136 0.448 5.612 -10.580 1.00 51.33 H new ATOM 0 HB ILE A 136 -2.507 6.239 -10.212 1.00 1.34 H new ATOM 0 HG12 ILE A 136 -0.215 5.878 -8.236 1.00 61.25 H new ATOM 0 HG13 ILE A 136 -0.944 7.411 -8.673 1.00 61.25 H new ATOM 0 HG21 ILE A 136 -2.648 4.103 -9.002 1.00 43.34 H new ATOM 0 HG22 ILE A 136 -2.218 3.868 -10.713 1.00 43.34 H new ATOM 0 HG23 ILE A 136 -0.966 3.736 -9.455 1.00 43.34 H new ATOM 0 HD11 ILE A 136 -1.776 6.630 -6.513 1.00 12.13 H new ATOM 0 HD12 ILE A 136 -3.094 6.680 -7.708 1.00 12.13 H new ATOM 0 HD13 ILE A 136 -2.354 5.123 -7.264 1.00 12.13 H new ATOM 2142 N GLU A 137 -1.694 6.021 -13.035 1.00 11.10 N ATOM 2143 CA GLU A 137 -2.065 5.529 -14.337 1.00 75.52 C ATOM 2144 C GLU A 137 -0.917 5.590 -15.323 1.00 60.32 C ATOM 2145 O GLU A 137 -0.848 4.780 -16.223 1.00 60.00 O ATOM 2146 CB GLU A 137 -3.294 6.220 -14.895 1.00 44.32 C ATOM 2147 CG GLU A 137 -4.560 5.899 -14.150 1.00 44.55 C ATOM 2148 CD GLU A 137 -5.771 6.486 -14.807 1.00 62.41 C ATOM 2149 OE1 GLU A 137 -6.046 6.151 -15.982 1.00 22.35 O ATOM 2150 OE2 GLU A 137 -6.498 7.249 -14.154 1.00 41.03 O ATOM 0 H GLU A 137 -2.147 6.895 -12.769 1.00 11.10 H new ATOM 0 HA GLU A 137 -2.322 4.480 -14.193 1.00 75.52 H new ATOM 0 HB2 GLU A 137 -3.134 7.298 -14.874 1.00 44.32 H new ATOM 0 HB3 GLU A 137 -3.416 5.936 -15.940 1.00 44.32 H new ATOM 0 HG2 GLU A 137 -4.675 4.817 -14.082 1.00 44.55 H new ATOM 0 HG3 GLU A 137 -4.484 6.276 -13.130 1.00 44.55 H new ATOM 2157 N GLU A 138 -0.031 6.556 -15.167 1.00 53.32 N ATOM 2158 CA GLU A 138 1.128 6.666 -16.045 1.00 34.02 C ATOM 2159 C GLU A 138 2.100 5.524 -15.765 1.00 62.40 C ATOM 2160 O GLU A 138 2.546 4.837 -16.678 1.00 32.31 O ATOM 2161 CB GLU A 138 1.854 8.001 -15.863 1.00 61.25 C ATOM 2162 CG GLU A 138 0.993 9.232 -16.057 1.00 5.13 C ATOM 2163 CD GLU A 138 1.803 10.492 -16.019 1.00 43.03 C ATOM 2164 OE1 GLU A 138 2.099 10.983 -14.915 1.00 11.11 O ATOM 2165 OE2 GLU A 138 2.174 11.007 -17.091 1.00 24.44 O ATOM 0 H GLU A 138 -0.087 7.275 -14.445 1.00 53.32 H new ATOM 0 HA GLU A 138 0.768 6.611 -17.072 1.00 34.02 H new ATOM 0 HB2 GLU A 138 2.282 8.030 -14.861 1.00 61.25 H new ATOM 0 HB3 GLU A 138 2.686 8.044 -16.566 1.00 61.25 H new ATOM 0 HG2 GLU A 138 0.472 9.164 -17.012 1.00 5.13 H new ATOM 0 HG3 GLU A 138 0.230 9.267 -15.280 1.00 5.13 H new ATOM 2172 N VAL A 139 2.401 5.326 -14.496 1.00 50.15 N ATOM 2173 CA VAL A 139 3.317 4.279 -14.050 1.00 53.13 C ATOM 2174 C VAL A 139 2.772 2.878 -14.397 1.00 2.14 C ATOM 2175 O VAL A 139 3.445 2.072 -15.041 1.00 34.32 O ATOM 2176 CB VAL A 139 3.569 4.394 -12.513 1.00 24.43 C ATOM 2177 CG1 VAL A 139 4.427 3.260 -12.012 1.00 31.33 C ATOM 2178 CG2 VAL A 139 4.228 5.728 -12.181 1.00 73.23 C ATOM 0 H VAL A 139 2.017 5.888 -13.736 1.00 50.15 H new ATOM 0 HA VAL A 139 4.263 4.415 -14.574 1.00 53.13 H new ATOM 0 HB VAL A 139 2.602 4.337 -12.013 1.00 24.43 H new ATOM 0 HG11 VAL A 139 4.584 3.369 -10.939 1.00 31.33 H new ATOM 0 HG12 VAL A 139 3.929 2.311 -12.211 1.00 31.33 H new ATOM 0 HG13 VAL A 139 5.390 3.279 -12.523 1.00 31.33 H new ATOM 0 HG21 VAL A 139 4.397 5.793 -11.106 1.00 73.23 H new ATOM 0 HG22 VAL A 139 5.182 5.803 -12.703 1.00 73.23 H new ATOM 0 HG23 VAL A 139 3.577 6.544 -12.496 1.00 73.23 H new ATOM 2188 N PHE A 140 1.552 2.625 -13.986 1.00 53.24 N ATOM 2189 CA PHE A 140 0.872 1.356 -14.218 1.00 64.21 C ATOM 2190 C PHE A 140 0.415 1.117 -15.650 1.00 3.03 C ATOM 2191 O PHE A 140 -0.028 0.031 -15.962 1.00 55.32 O ATOM 2192 CB PHE A 140 -0.261 1.088 -13.248 1.00 31.04 C ATOM 2193 CG PHE A 140 0.153 0.598 -11.891 1.00 63.20 C ATOM 2194 CD1 PHE A 140 0.491 -0.737 -11.708 1.00 54.53 C ATOM 2195 CD2 PHE A 140 0.149 1.431 -10.792 1.00 61.30 C ATOM 2196 CE1 PHE A 140 0.806 -1.219 -10.477 1.00 24.13 C ATOM 2197 CE2 PHE A 140 0.483 0.937 -9.542 1.00 32.43 C ATOM 2198 CZ PHE A 140 0.805 -0.404 -9.404 1.00 63.33 C ATOM 0 H PHE A 140 0.988 3.301 -13.472 1.00 53.24 H new ATOM 0 HA PHE A 140 1.661 0.629 -14.026 1.00 64.21 H new ATOM 0 HB2 PHE A 140 -0.835 2.006 -13.124 1.00 31.04 H new ATOM 0 HB3 PHE A 140 -0.930 0.351 -13.693 1.00 31.04 H new ATOM 0 HD1 PHE A 140 0.504 -1.403 -12.558 1.00 54.53 H new ATOM 0 HD2 PHE A 140 -0.115 2.472 -10.906 1.00 61.30 H new ATOM 0 HE1 PHE A 140 1.059 -2.262 -10.358 1.00 24.13 H new ATOM 0 HE2 PHE A 140 0.492 1.591 -8.682 1.00 32.43 H new ATOM 0 HZ PHE A 140 1.057 -0.798 -8.430 1.00 63.33 H new ATOM 2208 N GLU A 141 0.442 2.139 -16.481 1.00 70.34 N ATOM 2209 CA GLU A 141 -0.038 2.076 -17.868 1.00 64.04 C ATOM 2210 C GLU A 141 0.474 0.825 -18.646 1.00 2.14 C ATOM 2211 O GLU A 141 -0.225 0.288 -19.512 1.00 73.00 O ATOM 2212 CB GLU A 141 0.371 3.354 -18.587 1.00 21.11 C ATOM 2213 CG GLU A 141 -0.222 3.511 -19.948 1.00 64.20 C ATOM 2214 CD GLU A 141 0.171 4.808 -20.602 1.00 33.02 C ATOM 2215 OE1 GLU A 141 -0.419 5.854 -20.278 1.00 5.35 O ATOM 2216 OE2 GLU A 141 1.084 4.801 -21.451 1.00 23.33 O ATOM 0 H GLU A 141 0.802 3.057 -16.218 1.00 70.34 H new ATOM 0 HA GLU A 141 -1.123 1.982 -17.836 1.00 64.04 H new ATOM 0 HB2 GLU A 141 0.081 4.209 -17.976 1.00 21.11 H new ATOM 0 HB3 GLU A 141 1.457 3.377 -18.672 1.00 21.11 H new ATOM 0 HG2 GLU A 141 0.096 2.680 -20.577 1.00 64.20 H new ATOM 0 HG3 GLU A 141 -1.308 3.459 -19.876 1.00 64.20 H new ATOM 2223 N ALA A 142 1.654 0.364 -18.310 1.00 73.24 N ATOM 2224 CA ALA A 142 2.252 -0.797 -18.979 1.00 42.10 C ATOM 2225 C ALA A 142 2.129 -2.088 -18.137 1.00 73.45 C ATOM 2226 O ALA A 142 2.696 -3.121 -18.489 1.00 43.14 O ATOM 2227 CB ALA A 142 3.713 -0.515 -19.295 1.00 55.24 C ATOM 0 H ALA A 142 2.233 0.769 -17.574 1.00 73.24 H new ATOM 0 HA ALA A 142 1.700 -0.962 -19.904 1.00 42.10 H new ATOM 0 HB1 ALA A 142 4.151 -1.381 -19.792 1.00 55.24 H new ATOM 0 HB2 ALA A 142 3.782 0.353 -19.950 1.00 55.24 H new ATOM 0 HB3 ALA A 142 4.253 -0.315 -18.370 1.00 55.24 H new ATOM 2233 N THR A 143 1.398 -2.027 -17.047 1.00 12.52 N ATOM 2234 CA THR A 143 1.241 -3.170 -16.149 1.00 34.32 C ATOM 2235 C THR A 143 -0.224 -3.340 -15.739 1.00 42.31 C ATOM 2236 O THR A 143 -0.801 -2.452 -15.103 1.00 50.32 O ATOM 2237 CB THR A 143 2.093 -2.969 -14.874 1.00 11.12 C ATOM 2238 OG1 THR A 143 1.781 -1.704 -14.299 1.00 63.53 O ATOM 2239 CG2 THR A 143 3.572 -3.018 -15.175 1.00 20.21 C ATOM 0 H THR A 143 0.894 -1.191 -16.751 1.00 12.52 H new ATOM 0 HA THR A 143 1.574 -4.061 -16.681 1.00 34.32 H new ATOM 0 HB THR A 143 1.859 -3.779 -14.183 1.00 11.12 H new ATOM 0 HG1 THR A 143 0.851 -1.472 -14.505 1.00 63.53 H new ATOM 0 HG21 THR A 143 4.136 -2.873 -14.254 1.00 20.21 H new ATOM 0 HG22 THR A 143 3.824 -3.987 -15.605 1.00 20.21 H new ATOM 0 HG23 THR A 143 3.825 -2.229 -15.884 1.00 20.21 H new ATOM 2247 N ASP A 144 -0.822 -4.462 -16.076 1.00 53.44 N ATOM 2248 CA ASP A 144 -2.225 -4.678 -15.747 1.00 40.21 C ATOM 2249 C ASP A 144 -2.422 -5.110 -14.297 1.00 42.02 C ATOM 2250 O ASP A 144 -2.371 -6.298 -13.961 1.00 13.10 O ATOM 2251 CB ASP A 144 -2.918 -5.641 -16.721 1.00 14.45 C ATOM 2252 CG ASP A 144 -4.379 -5.869 -16.374 1.00 42.33 C ATOM 2253 OD1 ASP A 144 -5.198 -4.942 -16.580 1.00 3.32 O ATOM 2254 OD2 ASP A 144 -4.731 -6.983 -15.911 1.00 42.35 O ATOM 0 H ASP A 144 -0.372 -5.232 -16.571 1.00 53.44 H new ATOM 0 HA ASP A 144 -2.711 -3.709 -15.861 1.00 40.21 H new ATOM 0 HB2 ASP A 144 -2.846 -5.243 -17.733 1.00 14.45 H new ATOM 0 HB3 ASP A 144 -2.394 -6.597 -16.717 1.00 14.45 H new ATOM 2259 N ILE A 145 -2.566 -4.138 -13.438 1.00 10.24 N ATOM 2260 CA ILE A 145 -2.834 -4.365 -12.041 1.00 24.13 C ATOM 2261 C ILE A 145 -4.025 -3.521 -11.635 1.00 4.01 C ATOM 2262 O ILE A 145 -4.184 -2.388 -12.106 1.00 60.34 O ATOM 2263 CB ILE A 145 -1.561 -4.062 -11.159 1.00 53.24 C ATOM 2264 CG1 ILE A 145 -0.436 -4.996 -11.618 1.00 21.42 C ATOM 2265 CG2 ILE A 145 -1.853 -4.254 -9.667 1.00 54.44 C ATOM 2266 CD1 ILE A 145 0.888 -4.689 -11.039 1.00 73.12 C ATOM 0 H ILE A 145 -2.500 -3.152 -13.691 1.00 10.24 H new ATOM 0 HA ILE A 145 -3.073 -5.415 -11.875 1.00 24.13 H new ATOM 0 HB ILE A 145 -1.265 -3.021 -11.288 1.00 53.24 H new ATOM 0 HG12 ILE A 145 -0.703 -6.021 -11.359 1.00 21.42 H new ATOM 0 HG13 ILE A 145 -0.363 -4.950 -12.705 1.00 21.42 H new ATOM 0 HG21 ILE A 145 -0.954 -4.037 -9.090 1.00 54.44 H new ATOM 0 HG22 ILE A 145 -2.652 -3.578 -9.363 1.00 54.44 H new ATOM 0 HG23 ILE A 145 -2.161 -5.284 -9.486 1.00 54.44 H new ATOM 0 HD11 ILE A 145 1.624 -5.398 -11.417 1.00 73.12 H new ATOM 0 HD12 ILE A 145 1.182 -3.677 -11.319 1.00 73.12 H new ATOM 0 HD13 ILE A 145 0.836 -4.765 -9.953 1.00 73.12 H new ATOM 2278 N LYS A 146 -4.870 -4.072 -10.812 1.00 71.21 N ATOM 2279 CA LYS A 146 -6.045 -3.380 -10.353 1.00 42.11 C ATOM 2280 C LYS A 146 -5.648 -2.483 -9.225 1.00 11.31 C ATOM 2281 O LYS A 146 -5.025 -2.938 -8.260 1.00 43.32 O ATOM 2282 CB LYS A 146 -7.071 -4.372 -9.813 1.00 52.40 C ATOM 2283 CG LYS A 146 -7.621 -5.384 -10.791 1.00 52.23 C ATOM 2284 CD LYS A 146 -8.464 -4.749 -11.873 1.00 0.20 C ATOM 2285 CE LYS A 146 -9.185 -5.820 -12.670 1.00 34.34 C ATOM 2286 NZ LYS A 146 -10.089 -5.252 -13.685 1.00 72.11 N ATOM 0 H LYS A 146 -4.766 -5.015 -10.438 1.00 71.21 H new ATOM 0 HA LYS A 146 -6.476 -2.821 -11.184 1.00 42.11 H new ATOM 0 HB2 LYS A 146 -6.616 -4.914 -8.984 1.00 52.40 H new ATOM 0 HB3 LYS A 146 -7.908 -3.806 -9.403 1.00 52.40 H new ATOM 0 HG2 LYS A 146 -6.794 -5.926 -11.251 1.00 52.23 H new ATOM 0 HG3 LYS A 146 -8.221 -6.116 -10.251 1.00 52.23 H new ATOM 0 HD2 LYS A 146 -9.188 -4.067 -11.427 1.00 0.20 H new ATOM 0 HD3 LYS A 146 -7.833 -4.155 -12.535 1.00 0.20 H new ATOM 0 HE2 LYS A 146 -8.451 -6.461 -13.159 1.00 34.34 H new ATOM 0 HE3 LYS A 146 -9.757 -6.451 -11.990 1.00 34.34 H new ATOM 0 HZ1 LYS A 146 -10.558 -6.023 -14.203 1.00 72.11 H new ATOM 0 HZ2 LYS A 146 -10.807 -4.661 -13.219 1.00 72.11 H new ATOM 0 HZ3 LYS A 146 -9.541 -4.671 -14.351 1.00 72.11 H new ATOM 2300 N ILE A 147 -5.970 -1.226 -9.328 1.00 52.50 N ATOM 2301 CA ILE A 147 -5.660 -0.343 -8.262 1.00 11.32 C ATOM 2302 C ILE A 147 -6.981 -0.016 -7.603 1.00 10.13 C ATOM 2303 O ILE A 147 -7.864 0.583 -8.231 1.00 31.21 O ATOM 2304 CB ILE A 147 -5.062 0.997 -8.778 1.00 31.13 C ATOM 2305 CG1 ILE A 147 -4.068 0.800 -9.950 1.00 32.30 C ATOM 2306 CG2 ILE A 147 -4.400 1.760 -7.634 1.00 0.32 C ATOM 2307 CD1 ILE A 147 -2.862 -0.048 -9.665 1.00 23.34 C ATOM 0 H ILE A 147 -6.439 -0.803 -10.129 1.00 52.50 H new ATOM 0 HA ILE A 147 -4.933 -0.810 -7.597 1.00 11.32 H new ATOM 0 HB ILE A 147 -5.893 1.585 -9.169 1.00 31.13 H new ATOM 0 HG12 ILE A 147 -4.609 0.356 -10.786 1.00 32.30 H new ATOM 0 HG13 ILE A 147 -3.726 1.782 -10.277 1.00 32.30 H new ATOM 0 HG21 ILE A 147 -3.987 2.695 -8.012 1.00 0.32 H new ATOM 0 HG22 ILE A 147 -5.141 1.975 -6.864 1.00 0.32 H new ATOM 0 HG23 ILE A 147 -3.599 1.155 -7.208 1.00 0.32 H new ATOM 0 HD11 ILE A 147 -2.243 -0.112 -10.560 1.00 23.34 H new ATOM 0 HD12 ILE A 147 -2.285 0.400 -8.856 1.00 23.34 H new ATOM 0 HD13 ILE A 147 -3.181 -1.048 -9.372 1.00 23.34 H new ATOM 2319 N THR A 148 -7.135 -0.380 -6.383 1.00 42.31 N ATOM 2320 CA THR A 148 -8.341 -0.086 -5.696 1.00 3.33 C ATOM 2321 C THR A 148 -8.054 0.910 -4.591 1.00 14.52 C ATOM 2322 O THR A 148 -7.354 0.604 -3.619 1.00 22.25 O ATOM 2323 CB THR A 148 -8.998 -1.370 -5.148 1.00 50.50 C ATOM 2324 OG1 THR A 148 -9.144 -2.312 -6.227 1.00 21.12 O ATOM 2325 CG2 THR A 148 -10.379 -1.065 -4.593 1.00 53.12 C ATOM 0 H THR A 148 -6.438 -0.885 -5.836 1.00 42.31 H new ATOM 0 HA THR A 148 -9.053 0.357 -6.392 1.00 3.33 H new ATOM 0 HB THR A 148 -8.371 -1.776 -4.355 1.00 50.50 H new ATOM 0 HG1 THR A 148 -9.559 -3.133 -5.890 1.00 21.12 H new ATOM 0 HG21 THR A 148 -10.828 -1.982 -4.211 1.00 53.12 H new ATOM 0 HG22 THR A 148 -10.294 -0.338 -3.785 1.00 53.12 H new ATOM 0 HG23 THR A 148 -11.007 -0.656 -5.384 1.00 53.12 H new ATOM 2333 N VAL A 149 -8.551 2.102 -4.763 1.00 52.04 N ATOM 2334 CA VAL A 149 -8.310 3.166 -3.839 1.00 0.24 C ATOM 2335 C VAL A 149 -9.493 3.370 -2.958 1.00 74.45 C ATOM 2336 O VAL A 149 -10.623 3.523 -3.433 1.00 15.41 O ATOM 2337 CB VAL A 149 -7.964 4.493 -4.558 1.00 61.11 C ATOM 2338 CG1 VAL A 149 -7.811 5.640 -3.556 1.00 11.31 C ATOM 2339 CG2 VAL A 149 -6.687 4.332 -5.340 1.00 51.14 C ATOM 0 H VAL A 149 -9.139 2.361 -5.555 1.00 52.04 H new ATOM 0 HA VAL A 149 -7.450 2.876 -3.236 1.00 0.24 H new ATOM 0 HB VAL A 149 -8.783 4.735 -5.236 1.00 61.11 H new ATOM 0 HG11 VAL A 149 -7.568 6.559 -4.089 1.00 11.31 H new ATOM 0 HG12 VAL A 149 -8.745 5.773 -3.010 1.00 11.31 H new ATOM 0 HG13 VAL A 149 -7.011 5.406 -2.854 1.00 11.31 H new ATOM 0 HG21 VAL A 149 -6.448 5.269 -5.844 1.00 51.14 H new ATOM 0 HG22 VAL A 149 -5.876 4.068 -4.662 1.00 51.14 H new ATOM 0 HG23 VAL A 149 -6.811 3.543 -6.081 1.00 51.14 H new ATOM 2349 N TYR A 150 -9.246 3.353 -1.693 1.00 53.05 N ATOM 2350 CA TYR A 150 -10.255 3.610 -0.747 1.00 31.21 C ATOM 2351 C TYR A 150 -10.191 5.037 -0.324 1.00 21.13 C ATOM 2352 O TYR A 150 -9.186 5.512 0.227 1.00 54.40 O ATOM 2353 CB TYR A 150 -10.234 2.619 0.404 1.00 63.22 C ATOM 2354 CG TYR A 150 -10.606 1.222 -0.054 1.00 0.11 C ATOM 2355 CD1 TYR A 150 -9.699 0.431 -0.737 1.00 64.01 C ATOM 2356 CD2 TYR A 150 -11.870 0.703 0.178 1.00 52.34 C ATOM 2357 CE1 TYR A 150 -10.028 -0.823 -1.167 1.00 22.52 C ATOM 2358 CE2 TYR A 150 -12.207 -0.559 -0.251 1.00 11.11 C ATOM 2359 CZ TYR A 150 -11.280 -1.316 -0.922 1.00 31.35 C ATOM 2360 OH TYR A 150 -11.604 -2.575 -1.355 1.00 62.31 O ATOM 0 H TYR A 150 -8.329 3.158 -1.292 1.00 53.05 H new ATOM 0 HA TYR A 150 -11.229 3.456 -1.212 1.00 31.21 H new ATOM 0 HB2 TYR A 150 -9.241 2.603 0.853 1.00 63.22 H new ATOM 0 HB3 TYR A 150 -10.928 2.945 1.178 1.00 63.22 H new ATOM 0 HD1 TYR A 150 -8.709 0.814 -0.935 1.00 64.01 H new ATOM 0 HD2 TYR A 150 -12.601 1.299 0.704 1.00 52.34 H new ATOM 0 HE1 TYR A 150 -9.303 -1.422 -1.698 1.00 22.52 H new ATOM 0 HE2 TYR A 150 -13.195 -0.952 -0.061 1.00 11.11 H new ATOM 0 HH TYR A 150 -12.529 -2.780 -1.103 1.00 62.31 H new ATOM 2370 N THR A 151 -11.250 5.717 -0.584 1.00 44.32 N ATOM 2371 CA THR A 151 -11.314 7.115 -0.418 1.00 3.44 C ATOM 2372 C THR A 151 -11.795 7.514 0.960 1.00 12.34 C ATOM 2373 O THR A 151 -12.887 7.147 1.398 1.00 3.11 O ATOM 2374 CB THR A 151 -12.228 7.706 -1.501 1.00 2.43 C ATOM 2375 OG1 THR A 151 -13.460 6.958 -1.547 1.00 63.35 O ATOM 2376 CG2 THR A 151 -11.553 7.670 -2.863 1.00 30.13 C ATOM 0 H THR A 151 -12.116 5.301 -0.927 1.00 44.32 H new ATOM 0 HA THR A 151 -10.305 7.514 -0.520 1.00 3.44 H new ATOM 0 HB THR A 151 -12.435 8.747 -1.252 1.00 2.43 H new ATOM 0 HG1 THR A 151 -13.742 6.735 -0.635 1.00 63.35 H new ATOM 0 HG21 THR A 151 -12.222 8.094 -3.612 1.00 30.13 H new ATOM 0 HG22 THR A 151 -10.632 8.252 -2.828 1.00 30.13 H new ATOM 0 HG23 THR A 151 -11.321 6.638 -3.127 1.00 30.13 H new