USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 582 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 Single : A 8 SER OG : rot -150:sc= -2.04! USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.69) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0347 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.9!) USER MOD Single : A 36 LYS NZ :NH3+ -132:sc= 0.0139 (180deg=-0.756) USER MOD Single : A 37 CYS SG : rot -130:sc= -2.58 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0101 USER MOD Single : A 44 SER OG : rot -45:sc= 0.142 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -109:sc= 0.223 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -156:sc= -0.0167 (180deg=-0.338) USER MOD Single : A 83 ASN : amide:sc= 0.0065 X(o=0.0065,f=0) USER MOD ----------------------------------------------------------------- ATOM 157 N SER A 8 1.678 -0.342 7.100 1.00 20.31 N ATOM 158 CA SER A 8 1.104 -1.232 6.077 1.00 42.24 C ATOM 159 C SER A 8 1.738 -2.643 6.110 1.00 44.40 C ATOM 160 O SER A 8 2.952 -2.812 5.868 1.00 71.20 O ATOM 161 CB SER A 8 1.224 -0.566 4.690 1.00 51.11 C ATOM 162 OG SER A 8 1.597 -1.493 3.699 1.00 21.20 O ATOM 0 HA SER A 8 0.047 -1.381 6.297 1.00 42.24 H new ATOM 0 HB2 SER A 8 0.271 -0.110 4.422 1.00 51.11 H new ATOM 0 HB3 SER A 8 1.961 0.236 4.734 1.00 51.11 H new ATOM 0 HG SER A 8 2.111 -1.036 3.001 1.00 21.20 H new ATOM 168 N ARG A 9 0.878 -3.659 6.325 1.00 1.24 N ATOM 169 CA ARG A 9 1.358 -5.055 6.558 1.00 33.32 C ATOM 170 C ARG A 9 0.434 -6.155 5.929 1.00 14.03 C ATOM 171 O ARG A 9 -0.754 -5.925 5.819 1.00 60.43 O ATOM 172 CB ARG A 9 1.546 -5.299 8.083 1.00 2.24 C ATOM 173 CG ARG A 9 0.309 -4.979 8.926 1.00 23.45 C ATOM 174 CD ARG A 9 0.633 -4.928 10.411 1.00 1.13 C ATOM 175 NE ARG A 9 -0.474 -5.433 11.230 1.00 22.31 N ATOM 176 CZ ARG A 9 -0.532 -5.373 12.570 1.00 20.04 C ATOM 177 NH1 ARG A 9 0.446 -4.801 13.279 1.00 14.32 N ATOM 178 NH2 ARG A 9 -1.562 -5.916 13.205 1.00 22.12 N ATOM 0 H ARG A 9 -0.136 -3.553 6.344 1.00 1.24 H new ATOM 0 HA ARG A 9 2.315 -5.147 6.045 1.00 33.32 H new ATOM 0 HB2 ARG A 9 1.820 -6.342 8.242 1.00 2.24 H new ATOM 0 HB3 ARG A 9 2.380 -4.693 8.437 1.00 2.24 H new ATOM 0 HG2 ARG A 9 -0.107 -4.022 8.612 1.00 23.45 H new ATOM 0 HG3 ARG A 9 -0.457 -5.733 8.747 1.00 23.45 H new ATOM 0 HD2 ARG A 9 1.528 -5.518 10.608 1.00 1.13 H new ATOM 0 HD3 ARG A 9 0.858 -3.901 10.698 1.00 1.13 H new ATOM 0 HE ARG A 9 -1.261 -5.863 10.744 1.00 22.31 H new ATOM 0 HH11 ARG A 9 1.254 -4.401 12.803 1.00 14.32 H new ATOM 0 HH12 ARG A 9 0.384 -4.765 14.296 1.00 14.32 H new ATOM 0 HH21 ARG A 9 -2.303 -6.375 12.675 1.00 22.12 H new ATOM 0 HH22 ARG A 9 -1.613 -5.874 14.223 1.00 22.12 H new ATOM 192 N ILE A 10 0.959 -7.371 5.560 1.00 0.53 N ATOM 193 CA ILE A 10 0.111 -8.458 5.021 1.00 74.35 C ATOM 194 C ILE A 10 0.148 -9.618 6.009 1.00 12.03 C ATOM 195 O ILE A 10 1.235 -9.959 6.528 1.00 34.23 O ATOM 196 CB ILE A 10 0.571 -9.006 3.589 1.00 71.11 C ATOM 197 CG1 ILE A 10 0.410 -7.922 2.488 1.00 42.11 C ATOM 198 CG2 ILE A 10 -0.158 -10.317 3.176 1.00 34.13 C ATOM 199 CD1 ILE A 10 0.453 -8.400 1.021 1.00 74.32 C ATOM 0 H ILE A 10 1.949 -7.607 5.630 1.00 0.53 H new ATOM 0 HA ILE A 10 -0.887 -8.041 4.888 1.00 74.35 H new ATOM 0 HB ILE A 10 1.629 -9.249 3.687 1.00 71.11 H new ATOM 0 HG12 ILE A 10 -0.540 -7.413 2.650 1.00 42.11 H new ATOM 0 HG13 ILE A 10 1.197 -7.180 2.626 1.00 42.11 H new ATOM 0 HG21 ILE A 10 0.197 -10.638 2.197 1.00 34.13 H new ATOM 0 HG22 ILE A 10 0.050 -11.096 3.910 1.00 34.13 H new ATOM 0 HG23 ILE A 10 -1.232 -10.137 3.132 1.00 34.13 H new ATOM 0 HD11 ILE A 10 0.329 -7.545 0.356 1.00 74.32 H new ATOM 0 HD12 ILE A 10 1.412 -8.878 0.822 1.00 74.32 H new ATOM 0 HD13 ILE A 10 -0.352 -9.115 0.847 1.00 74.32 H new ATOM 211 N TYR A 11 -1.054 -10.178 6.269 1.00 52.33 N ATOM 212 CA TYR A 11 -1.237 -11.329 7.161 1.00 21.11 C ATOM 213 C TYR A 11 -1.370 -12.652 6.323 1.00 62.52 C ATOM 214 O TYR A 11 -2.260 -12.744 5.458 1.00 34.51 O ATOM 215 CB TYR A 11 -2.510 -11.092 8.012 1.00 63.04 C ATOM 216 CG TYR A 11 -2.651 -12.013 9.203 1.00 30.53 C ATOM 217 CD1 TYR A 11 -2.031 -11.702 10.407 1.00 72.53 C ATOM 218 CD2 TYR A 11 -3.413 -13.174 9.134 1.00 31.42 C ATOM 219 CE1 TYR A 11 -2.164 -12.523 11.510 1.00 42.20 C ATOM 220 CE2 TYR A 11 -3.547 -14.001 10.232 1.00 41.55 C ATOM 221 CZ TYR A 11 -2.921 -13.670 11.417 1.00 75.20 C ATOM 222 OH TYR A 11 -3.059 -14.490 12.515 1.00 10.42 O ATOM 0 H TYR A 11 -1.925 -9.838 5.861 1.00 52.33 H new ATOM 0 HA TYR A 11 -0.372 -11.435 7.816 1.00 21.11 H new ATOM 0 HB2 TYR A 11 -2.508 -10.061 8.365 1.00 63.04 H new ATOM 0 HB3 TYR A 11 -3.385 -11.209 7.373 1.00 63.04 H new ATOM 0 HD1 TYR A 11 -1.436 -10.804 10.482 1.00 72.53 H new ATOM 0 HD2 TYR A 11 -3.907 -13.433 8.209 1.00 31.42 H new ATOM 0 HE1 TYR A 11 -1.677 -12.267 12.440 1.00 42.20 H new ATOM 0 HE2 TYR A 11 -4.139 -14.902 10.164 1.00 41.55 H new ATOM 0 HH TYR A 11 -3.625 -15.256 12.282 1.00 10.42 H new ATOM 232 N VAL A 12 -0.495 -13.680 6.534 1.00 4.11 N ATOM 233 CA VAL A 12 -0.578 -14.921 5.748 1.00 72.33 C ATOM 234 C VAL A 12 -0.701 -16.105 6.715 1.00 34.40 C ATOM 235 O VAL A 12 0.230 -16.380 7.456 1.00 54.10 O ATOM 236 CB VAL A 12 0.692 -15.112 4.779 1.00 30.14 C ATOM 237 CG1 VAL A 12 0.658 -16.399 3.944 1.00 21.14 C ATOM 238 CG2 VAL A 12 0.892 -13.919 3.853 1.00 53.42 C ATOM 0 H VAL A 12 0.253 -13.664 7.227 1.00 4.11 H new ATOM 0 HA VAL A 12 -1.455 -14.867 5.103 1.00 72.33 H new ATOM 0 HB VAL A 12 1.538 -15.190 5.462 1.00 30.14 H new ATOM 0 HG11 VAL A 12 1.549 -16.451 3.319 1.00 21.14 H new ATOM 0 HG12 VAL A 12 0.630 -17.263 4.608 1.00 21.14 H new ATOM 0 HG13 VAL A 12 -0.230 -16.399 3.311 1.00 21.14 H new ATOM 0 HG21 VAL A 12 1.761 -14.093 3.218 1.00 53.42 H new ATOM 0 HG22 VAL A 12 0.007 -13.790 3.230 1.00 53.42 H new ATOM 0 HG23 VAL A 12 1.052 -13.020 4.448 1.00 53.42 H new ATOM 248 N GLY A 13 -1.862 -16.774 6.763 1.00 53.20 N ATOM 249 CA GLY A 13 -1.953 -17.986 7.579 1.00 51.10 C ATOM 250 C GLY A 13 -2.081 -19.240 6.732 1.00 2.34 C ATOM 251 O GLY A 13 -2.394 -19.131 5.559 1.00 20.24 O ATOM 0 H GLY A 13 -2.715 -16.510 6.269 1.00 53.20 H new ATOM 0 HA2 GLY A 13 -1.067 -18.065 8.210 1.00 51.10 H new ATOM 0 HA3 GLY A 13 -2.813 -17.910 8.245 1.00 51.10 H new ATOM 255 N ASN A 14 -1.821 -20.435 7.327 1.00 52.15 N ATOM 256 CA ASN A 14 -1.932 -21.760 6.624 1.00 21.51 C ATOM 257 C ASN A 14 -1.189 -21.885 5.266 1.00 60.33 C ATOM 258 O ASN A 14 -1.533 -22.745 4.465 1.00 71.41 O ATOM 259 CB ASN A 14 -3.410 -22.093 6.415 1.00 32.11 C ATOM 260 CG ASN A 14 -4.144 -22.404 7.703 1.00 32.25 C ATOM 261 OD1 ASN A 14 -3.591 -22.991 8.632 1.00 2.02 O ATOM 262 ND2 ASN A 14 -5.401 -21.998 7.771 1.00 50.44 N ATOM 0 H ASN A 14 -1.530 -20.516 8.301 1.00 52.15 H new ATOM 0 HA ASN A 14 -1.429 -22.467 7.284 1.00 21.51 H new ATOM 0 HB2 ASN A 14 -3.898 -21.253 5.921 1.00 32.11 H new ATOM 0 HB3 ASN A 14 -3.491 -22.948 5.744 1.00 32.11 H new ATOM 0 HD21 ASN A 14 -5.947 -22.169 8.615 1.00 50.44 H new ATOM 0 HD22 ASN A 14 -5.824 -21.514 6.979 1.00 50.44 H new ATOM 269 N LEU A 15 -0.169 -21.060 5.035 1.00 43.54 N ATOM 270 CA LEU A 15 0.749 -21.210 3.908 1.00 1.42 C ATOM 271 C LEU A 15 1.617 -22.471 4.066 1.00 61.03 C ATOM 272 O LEU A 15 2.253 -22.667 5.109 1.00 34.34 O ATOM 273 CB LEU A 15 1.613 -19.927 3.813 1.00 2.04 C ATOM 274 CG LEU A 15 2.993 -20.024 3.123 1.00 63.04 C ATOM 275 CD1 LEU A 15 3.175 -18.896 2.120 1.00 0.34 C ATOM 276 CD2 LEU A 15 4.105 -19.952 4.164 1.00 23.23 C ATOM 0 H LEU A 15 0.045 -20.261 5.631 1.00 43.54 H new ATOM 0 HA LEU A 15 0.187 -21.337 2.983 1.00 1.42 H new ATOM 0 HB2 LEU A 15 1.030 -19.171 3.286 1.00 2.04 H new ATOM 0 HB3 LEU A 15 1.773 -19.558 4.826 1.00 2.04 H new ATOM 0 HG LEU A 15 3.042 -20.978 2.598 1.00 63.04 H new ATOM 0 HD11 LEU A 15 4.153 -18.984 1.647 1.00 0.34 H new ATOM 0 HD12 LEU A 15 2.397 -18.957 1.359 1.00 0.34 H new ATOM 0 HD13 LEU A 15 3.106 -17.937 2.634 1.00 0.34 H new ATOM 0 HD21 LEU A 15 5.073 -20.021 3.668 1.00 23.23 H new ATOM 0 HD22 LEU A 15 4.040 -19.006 4.701 1.00 23.23 H new ATOM 0 HD23 LEU A 15 3.998 -20.777 4.868 1.00 23.23 H new ATOM 288 N PRO A 16 1.618 -23.368 3.053 1.00 32.22 N ATOM 289 CA PRO A 16 2.569 -24.477 3.005 1.00 32.54 C ATOM 290 C PRO A 16 3.857 -24.090 2.223 1.00 21.24 C ATOM 291 O PRO A 16 3.756 -23.766 1.027 1.00 50.02 O ATOM 292 CB PRO A 16 1.772 -25.557 2.258 1.00 52.34 C ATOM 293 CG PRO A 16 0.709 -24.842 1.465 1.00 54.44 C ATOM 294 CD PRO A 16 0.661 -23.408 1.935 1.00 73.22 C ATOM 0 HA PRO A 16 2.920 -24.790 3.988 1.00 32.54 H new ATOM 0 HB2 PRO A 16 2.423 -26.133 1.600 1.00 52.34 H new ATOM 0 HB3 PRO A 16 1.324 -26.261 2.959 1.00 52.34 H new ATOM 0 HG2 PRO A 16 0.934 -24.886 0.399 1.00 54.44 H new ATOM 0 HG3 PRO A 16 -0.259 -25.322 1.606 1.00 54.44 H new ATOM 0 HD2 PRO A 16 0.946 -22.718 1.141 1.00 73.22 H new ATOM 0 HD3 PRO A 16 -0.342 -23.127 2.257 1.00 73.22 H new ATOM 302 N SER A 17 5.057 -24.215 2.874 1.00 10.01 N ATOM 303 CA SER A 17 6.374 -23.763 2.328 1.00 33.02 C ATOM 304 C SER A 17 6.293 -22.477 1.471 1.00 73.32 C ATOM 305 O SER A 17 6.165 -21.394 2.035 1.00 73.20 O ATOM 306 CB SER A 17 7.096 -24.893 1.569 1.00 51.33 C ATOM 307 OG SER A 17 7.379 -25.980 2.433 1.00 12.11 O ATOM 0 H SER A 17 5.134 -24.636 3.800 1.00 10.01 H new ATOM 0 HA SER A 17 6.970 -23.501 3.202 1.00 33.02 H new ATOM 0 HB2 SER A 17 6.476 -25.234 0.740 1.00 51.33 H new ATOM 0 HB3 SER A 17 8.023 -24.514 1.139 1.00 51.33 H new ATOM 0 HG SER A 17 7.836 -26.687 1.931 1.00 12.11 H new ATOM 313 N HIS A 18 6.306 -22.653 0.115 1.00 72.24 N ATOM 314 CA HIS A 18 6.273 -21.577 -0.912 1.00 51.43 C ATOM 315 C HIS A 18 7.378 -20.523 -0.695 1.00 22.20 C ATOM 316 O HIS A 18 8.473 -20.676 -1.237 1.00 0.40 O ATOM 317 CB HIS A 18 4.862 -20.955 -1.060 1.00 41.34 C ATOM 318 CG HIS A 18 4.700 -20.009 -2.239 1.00 13.44 C ATOM 319 ND1 HIS A 18 5.531 -20.029 -3.344 1.00 54.41 N ATOM 320 CD2 HIS A 18 3.837 -18.980 -2.447 1.00 33.22 C ATOM 321 CE1 HIS A 18 5.189 -19.063 -4.173 1.00 22.34 C ATOM 322 NE2 HIS A 18 4.165 -18.406 -3.659 1.00 13.41 N ATOM 0 H HIS A 18 6.341 -23.583 -0.302 1.00 72.24 H new ATOM 0 HA HIS A 18 6.497 -22.048 -1.869 1.00 51.43 H new ATOM 0 HB2 HIS A 18 4.134 -21.761 -1.157 1.00 41.34 H new ATOM 0 HB3 HIS A 18 4.621 -20.415 -0.144 1.00 41.34 H new ATOM 0 HD2 HIS A 18 3.041 -18.669 -1.786 1.00 33.22 H new ATOM 0 HE1 HIS A 18 5.667 -18.845 -5.117 1.00 22.34 H new ATOM 0 HE2 HIS A 18 3.695 -17.608 -4.086 1.00 13.41 H new ATOM 331 N VAL A 19 7.106 -19.476 0.091 1.00 53.30 N ATOM 332 CA VAL A 19 8.146 -18.500 0.365 1.00 71.33 C ATOM 333 C VAL A 19 8.808 -18.807 1.759 1.00 12.44 C ATOM 334 O VAL A 19 8.110 -18.801 2.774 1.00 13.15 O ATOM 335 CB VAL A 19 7.604 -16.988 0.233 1.00 71.24 C ATOM 336 CG1 VAL A 19 7.163 -16.663 -1.203 1.00 44.21 C ATOM 337 CG2 VAL A 19 6.435 -16.650 1.187 1.00 4.24 C ATOM 0 H VAL A 19 6.205 -19.292 0.532 1.00 53.30 H new ATOM 0 HA VAL A 19 8.924 -18.588 -0.393 1.00 71.33 H new ATOM 0 HB VAL A 19 8.458 -16.374 0.518 1.00 71.24 H new ATOM 0 HG11 VAL A 19 6.804 -15.635 -1.250 1.00 44.21 H new ATOM 0 HG12 VAL A 19 8.009 -16.783 -1.879 1.00 44.21 H new ATOM 0 HG13 VAL A 19 6.362 -17.340 -1.500 1.00 44.21 H new ATOM 0 HG21 VAL A 19 6.129 -15.615 1.035 1.00 4.24 H new ATOM 0 HG22 VAL A 19 5.593 -17.311 0.980 1.00 4.24 H new ATOM 0 HG23 VAL A 19 6.757 -16.786 2.219 1.00 4.24 H new ATOM 347 N SER A 20 10.152 -19.145 1.824 1.00 34.40 N ATOM 348 CA SER A 20 10.870 -19.158 3.119 1.00 41.51 C ATOM 349 C SER A 20 11.276 -17.710 3.487 1.00 23.21 C ATOM 350 O SER A 20 11.126 -16.849 2.625 1.00 55.15 O ATOM 351 CB SER A 20 12.102 -20.074 3.001 1.00 75.22 C ATOM 352 OG SER A 20 11.749 -21.304 2.392 1.00 62.24 O ATOM 0 H SER A 20 10.721 -19.399 1.017 1.00 34.40 H new ATOM 0 HA SER A 20 10.229 -19.546 3.911 1.00 41.51 H new ATOM 0 HB2 SER A 20 12.875 -19.579 2.414 1.00 75.22 H new ATOM 0 HB3 SER A 20 12.522 -20.258 3.990 1.00 75.22 H new ATOM 0 HG SER A 20 12.543 -21.874 2.323 1.00 62.24 H new ATOM 358 N SER A 21 11.792 -17.432 4.734 1.00 64.31 N ATOM 359 CA SER A 21 12.075 -16.052 5.224 1.00 10.13 C ATOM 360 C SER A 21 12.839 -15.145 4.203 1.00 72.14 C ATOM 361 O SER A 21 12.417 -13.984 3.909 1.00 20.32 O ATOM 362 CB SER A 21 12.926 -16.163 6.489 1.00 24.13 C ATOM 363 OG SER A 21 12.400 -17.140 7.378 1.00 62.10 O ATOM 0 H SER A 21 12.018 -18.158 5.414 1.00 64.31 H new ATOM 0 HA SER A 21 11.108 -15.579 5.397 1.00 10.13 H new ATOM 0 HB2 SER A 21 13.949 -16.425 6.220 1.00 24.13 H new ATOM 0 HB3 SER A 21 12.966 -15.196 6.990 1.00 24.13 H new ATOM 0 HG SER A 21 12.964 -17.192 8.178 1.00 62.10 H new ATOM 369 N ARG A 22 13.945 -15.700 3.651 1.00 61.23 N ATOM 370 CA ARG A 22 14.779 -14.969 2.657 1.00 5.44 C ATOM 371 C ARG A 22 13.989 -14.576 1.349 1.00 62.35 C ATOM 372 O ARG A 22 14.110 -13.427 0.880 1.00 13.12 O ATOM 373 CB ARG A 22 16.173 -15.689 2.392 1.00 22.35 C ATOM 374 CG ARG A 22 16.909 -15.354 1.079 1.00 0.32 C ATOM 375 CD ARG A 22 16.602 -16.330 -0.053 1.00 52.34 C ATOM 376 NE ARG A 22 16.219 -15.612 -1.271 1.00 60.43 N ATOM 377 CZ ARG A 22 17.037 -14.991 -2.130 1.00 44.32 C ATOM 378 NH1 ARG A 22 18.350 -14.981 -1.954 1.00 4.32 N ATOM 379 NH2 ARG A 22 16.510 -14.357 -3.166 1.00 22.11 N ATOM 0 H ARG A 22 14.280 -16.638 3.871 1.00 61.23 H new ATOM 0 HA ARG A 22 15.034 -14.011 3.110 1.00 5.44 H new ATOM 0 HB2 ARG A 22 16.838 -15.449 3.221 1.00 22.35 H new ATOM 0 HB3 ARG A 22 16.006 -16.766 2.419 1.00 22.35 H new ATOM 0 HG2 ARG A 22 16.636 -14.347 0.765 1.00 0.32 H new ATOM 0 HG3 ARG A 22 17.983 -15.350 1.264 1.00 0.32 H new ATOM 0 HD2 ARG A 22 17.476 -16.950 -0.251 1.00 52.34 H new ATOM 0 HD3 ARG A 22 15.797 -17.000 0.247 1.00 52.34 H new ATOM 0 HE ARG A 22 15.223 -15.582 -1.488 1.00 60.43 H new ATOM 0 HH11 ARG A 22 18.760 -15.454 -1.149 1.00 4.32 H new ATOM 0 HH12 ARG A 22 18.951 -14.500 -2.624 1.00 4.32 H new ATOM 0 HH21 ARG A 22 15.499 -14.348 -3.298 1.00 22.11 H new ATOM 0 HH22 ARG A 22 17.115 -13.877 -3.832 1.00 22.11 H new ATOM 393 N ASP A 23 13.164 -15.485 0.774 1.00 33.33 N ATOM 394 CA ASP A 23 12.291 -15.093 -0.342 1.00 31.20 C ATOM 395 C ASP A 23 11.028 -14.287 0.089 1.00 74.21 C ATOM 396 O ASP A 23 10.466 -13.646 -0.811 1.00 33.41 O ATOM 397 CB ASP A 23 12.083 -16.146 -1.534 1.00 22.33 C ATOM 398 CG ASP A 23 13.275 -16.171 -2.452 1.00 54.41 C ATOM 399 OD1 ASP A 23 13.452 -15.221 -3.241 1.00 53.22 O ATOM 400 OD2 ASP A 23 14.056 -17.138 -2.372 1.00 13.33 O ATOM 0 H ASP A 23 13.090 -16.462 1.058 1.00 33.33 H new ATOM 0 HA ASP A 23 12.911 -14.365 -0.866 1.00 31.20 H new ATOM 0 HB2 ASP A 23 11.919 -17.141 -1.120 1.00 22.33 H new ATOM 0 HB3 ASP A 23 11.189 -15.886 -2.101 1.00 22.33 H new ATOM 405 N VAL A 24 10.519 -14.279 1.419 1.00 50.31 N ATOM 406 CA VAL A 24 9.575 -13.237 1.804 1.00 71.45 C ATOM 407 C VAL A 24 10.256 -11.878 1.615 1.00 4.33 C ATOM 408 O VAL A 24 9.637 -10.988 0.994 1.00 54.30 O ATOM 409 CB VAL A 24 8.961 -13.363 3.270 1.00 65.33 C ATOM 410 CG1 VAL A 24 7.634 -12.669 3.403 1.00 4.54 C ATOM 411 CG2 VAL A 24 8.786 -14.788 3.777 1.00 25.04 C ATOM 0 H VAL A 24 10.759 -14.951 2.148 1.00 50.31 H new ATOM 0 HA VAL A 24 8.709 -13.351 1.152 1.00 71.45 H new ATOM 0 HB VAL A 24 9.717 -12.875 3.885 1.00 65.33 H new ATOM 0 HG11 VAL A 24 7.262 -12.787 4.421 1.00 4.54 H new ATOM 0 HG12 VAL A 24 7.754 -11.609 3.181 1.00 4.54 H new ATOM 0 HG13 VAL A 24 6.922 -13.108 2.704 1.00 4.54 H new ATOM 0 HG21 VAL A 24 8.363 -14.767 4.781 1.00 25.04 H new ATOM 0 HG22 VAL A 24 8.115 -15.331 3.111 1.00 25.04 H new ATOM 0 HG23 VAL A 24 9.755 -15.287 3.802 1.00 25.04 H new ATOM 421 N GLU A 25 11.550 -11.729 2.058 1.00 71.21 N ATOM 422 CA GLU A 25 12.272 -10.497 1.783 1.00 43.20 C ATOM 423 C GLU A 25 12.405 -10.207 0.261 1.00 14.41 C ATOM 424 O GLU A 25 11.959 -9.154 -0.127 1.00 11.14 O ATOM 425 CB GLU A 25 13.660 -10.466 2.479 1.00 22.41 C ATOM 426 CG GLU A 25 14.170 -9.061 2.829 1.00 21.14 C ATOM 427 CD GLU A 25 15.345 -8.616 1.974 1.00 42.32 C ATOM 428 OE1 GLU A 25 15.122 -8.179 0.821 1.00 0.55 O ATOM 429 OE2 GLU A 25 16.491 -8.700 2.460 1.00 75.53 O ATOM 0 H GLU A 25 12.071 -12.431 2.583 1.00 71.21 H new ATOM 0 HA GLU A 25 11.668 -9.696 2.210 1.00 43.20 H new ATOM 0 HB2 GLU A 25 13.606 -11.057 3.394 1.00 22.41 H new ATOM 0 HB3 GLU A 25 14.388 -10.951 1.829 1.00 22.41 H new ATOM 0 HG2 GLU A 25 13.355 -8.347 2.713 1.00 21.14 H new ATOM 0 HG3 GLU A 25 14.465 -9.040 3.878 1.00 21.14 H new ATOM 436 N ASN A 26 12.944 -11.119 -0.619 1.00 41.43 N ATOM 437 CA ASN A 26 13.147 -10.719 -2.059 1.00 23.15 C ATOM 438 C ASN A 26 11.829 -10.635 -2.912 1.00 72.24 C ATOM 439 O ASN A 26 11.534 -9.515 -3.521 1.00 20.45 O ATOM 440 CB ASN A 26 14.219 -11.578 -2.811 1.00 13.52 C ATOM 441 CG ASN A 26 14.440 -11.106 -4.245 1.00 61.02 C ATOM 442 OD1 ASN A 26 13.844 -11.624 -5.189 1.00 64.05 O ATOM 443 ND2 ASN A 26 15.303 -10.114 -4.411 1.00 31.15 N ATOM 0 H ASN A 26 13.228 -12.069 -0.381 1.00 41.43 H new ATOM 0 HA ASN A 26 13.532 -9.703 -1.968 1.00 23.15 H new ATOM 0 HB2 ASN A 26 15.163 -11.534 -2.267 1.00 13.52 H new ATOM 0 HB3 ASN A 26 13.904 -12.622 -2.819 1.00 13.52 H new ATOM 0 HD21 ASN A 26 15.493 -9.754 -5.346 1.00 31.15 H new ATOM 0 HD22 ASN A 26 15.778 -9.710 -3.603 1.00 31.15 H new ATOM 450 N GLU A 27 11.004 -11.745 -2.947 1.00 33.35 N ATOM 451 CA GLU A 27 9.734 -11.713 -3.672 1.00 23.03 C ATOM 452 C GLU A 27 8.837 -10.596 -3.130 1.00 64.02 C ATOM 453 O GLU A 27 8.224 -9.931 -3.940 1.00 3.24 O ATOM 454 CB GLU A 27 9.018 -13.092 -3.631 1.00 30.41 C ATOM 455 CG GLU A 27 7.888 -13.364 -4.665 1.00 12.15 C ATOM 456 CD GLU A 27 8.393 -13.543 -6.084 1.00 63.21 C ATOM 457 OE1 GLU A 27 8.724 -14.694 -6.448 1.00 4.04 O ATOM 458 OE2 GLU A 27 8.444 -12.548 -6.836 1.00 52.03 O ATOM 0 H GLU A 27 11.212 -12.632 -2.488 1.00 33.35 H new ATOM 0 HA GLU A 27 9.947 -11.498 -4.719 1.00 23.03 H new ATOM 0 HB2 GLU A 27 9.776 -13.865 -3.755 1.00 30.41 H new ATOM 0 HB3 GLU A 27 8.595 -13.218 -2.634 1.00 30.41 H new ATOM 0 HG2 GLU A 27 7.342 -14.259 -4.367 1.00 12.15 H new ATOM 0 HG3 GLU A 27 7.179 -12.536 -4.642 1.00 12.15 H new ATOM 465 N PHE A 28 8.788 -10.277 -1.795 1.00 3.32 N ATOM 466 CA PHE A 28 7.899 -9.182 -1.440 1.00 71.15 C ATOM 467 C PHE A 28 8.543 -7.793 -1.601 1.00 5.33 C ATOM 468 O PHE A 28 7.808 -6.819 -1.787 1.00 55.31 O ATOM 469 CB PHE A 28 7.220 -9.349 -0.073 1.00 10.13 C ATOM 470 CG PHE A 28 6.034 -10.298 -0.063 1.00 42.45 C ATOM 471 CD1 PHE A 28 4.771 -9.833 -0.443 1.00 42.34 C ATOM 472 CD2 PHE A 28 6.149 -11.638 0.332 1.00 50.32 C ATOM 473 CE1 PHE A 28 3.673 -10.677 -0.420 1.00 50.13 C ATOM 474 CE2 PHE A 28 5.034 -12.457 0.351 1.00 43.14 C ATOM 475 CZ PHE A 28 3.811 -11.974 -0.020 1.00 31.21 C ATOM 0 H PHE A 28 9.305 -10.724 -1.037 1.00 3.32 H new ATOM 0 HA PHE A 28 7.099 -9.237 -2.178 1.00 71.15 H new ATOM 0 HB2 PHE A 28 7.960 -9.707 0.643 1.00 10.13 H new ATOM 0 HB3 PHE A 28 6.888 -8.371 0.274 1.00 10.13 H new ATOM 0 HD1 PHE A 28 4.651 -8.807 -0.757 1.00 42.34 H new ATOM 0 HD2 PHE A 28 7.111 -12.033 0.623 1.00 50.32 H new ATOM 0 HE1 PHE A 28 2.704 -10.307 -0.720 1.00 50.13 H new ATOM 0 HE2 PHE A 28 5.131 -13.487 0.662 1.00 43.14 H new ATOM 0 HZ PHE A 28 2.948 -12.623 0.004 1.00 31.21 H new ATOM 485 N ARG A 29 9.898 -7.693 -1.546 1.00 3.42 N ATOM 486 CA ARG A 29 10.617 -6.407 -1.788 1.00 3.33 C ATOM 487 C ARG A 29 10.473 -5.880 -3.183 1.00 5.41 C ATOM 488 O ARG A 29 10.541 -4.646 -3.337 1.00 14.54 O ATOM 489 CB ARG A 29 12.138 -6.360 -1.366 1.00 4.53 C ATOM 490 CG ARG A 29 13.215 -7.051 -2.258 1.00 55.22 C ATOM 491 CD ARG A 29 13.675 -6.207 -3.457 1.00 73.20 C ATOM 492 NE ARG A 29 13.743 -4.761 -3.148 1.00 74.24 N ATOM 493 CZ ARG A 29 14.763 -4.127 -2.552 1.00 11.15 C ATOM 494 NH1 ARG A 29 15.840 -4.795 -2.166 1.00 60.22 N ATOM 495 NH2 ARG A 29 14.680 -2.824 -2.325 1.00 53.02 N ATOM 0 H ARG A 29 10.513 -8.480 -1.338 1.00 3.42 H new ATOM 0 HA ARG A 29 10.088 -5.748 -1.099 1.00 3.33 H new ATOM 0 HB2 ARG A 29 12.417 -5.310 -1.275 1.00 4.53 H new ATOM 0 HB3 ARG A 29 12.212 -6.797 -0.370 1.00 4.53 H new ATOM 0 HG2 ARG A 29 14.082 -7.290 -1.642 1.00 55.22 H new ATOM 0 HG3 ARG A 29 12.815 -7.996 -2.625 1.00 55.22 H new ATOM 0 HD2 ARG A 29 14.657 -6.551 -3.782 1.00 73.20 H new ATOM 0 HD3 ARG A 29 12.990 -6.364 -4.290 1.00 73.20 H new ATOM 0 HE ARG A 29 12.938 -4.193 -3.413 1.00 74.24 H new ATOM 0 HH11 ARG A 29 15.899 -5.801 -2.321 1.00 60.22 H new ATOM 0 HH12 ARG A 29 16.610 -4.303 -1.713 1.00 60.22 H new ATOM 0 HH21 ARG A 29 13.844 -2.310 -2.603 1.00 53.02 H new ATOM 0 HH22 ARG A 29 15.452 -2.335 -1.872 1.00 53.02 H new ATOM 509 N LYS A 30 10.323 -6.719 -4.226 1.00 2.35 N ATOM 510 CA LYS A 30 10.083 -6.012 -5.529 1.00 74.45 C ATOM 511 C LYS A 30 8.680 -5.414 -5.605 1.00 3.15 C ATOM 512 O LYS A 30 8.516 -4.324 -6.162 1.00 63.52 O ATOM 513 CB LYS A 30 10.398 -6.734 -6.900 1.00 45.51 C ATOM 514 CG LYS A 30 9.447 -7.887 -7.323 1.00 42.32 C ATOM 515 CD LYS A 30 8.655 -7.586 -8.627 1.00 30.00 C ATOM 516 CE LYS A 30 7.598 -6.460 -8.505 1.00 20.34 C ATOM 517 NZ LYS A 30 6.958 -6.162 -9.813 1.00 73.52 N ATOM 0 H LYS A 30 10.354 -7.739 -4.226 1.00 2.35 H new ATOM 0 HA LYS A 30 10.869 -5.260 -5.460 1.00 74.45 H new ATOM 0 HB2 LYS A 30 10.391 -5.982 -7.689 1.00 45.51 H new ATOM 0 HB3 LYS A 30 11.411 -7.132 -6.849 1.00 45.51 H new ATOM 0 HG2 LYS A 30 10.031 -8.797 -7.463 1.00 42.32 H new ATOM 0 HG3 LYS A 30 8.742 -8.082 -6.515 1.00 42.32 H new ATOM 0 HD2 LYS A 30 9.363 -7.316 -9.410 1.00 30.00 H new ATOM 0 HD3 LYS A 30 8.156 -8.499 -8.950 1.00 30.00 H new ATOM 0 HE2 LYS A 30 6.834 -6.754 -7.785 1.00 20.34 H new ATOM 0 HE3 LYS A 30 8.071 -5.558 -8.117 1.00 20.34 H new ATOM 0 HZ1 LYS A 30 6.257 -5.404 -9.692 1.00 73.52 H new ATOM 0 HZ2 LYS A 30 7.683 -5.857 -10.493 1.00 73.52 H new ATOM 0 HZ3 LYS A 30 6.485 -7.016 -10.171 1.00 73.52 H new ATOM 531 N TYR A 31 7.692 -6.080 -5.020 1.00 44.33 N ATOM 532 CA TYR A 31 6.312 -5.706 -5.248 1.00 11.22 C ATOM 533 C TYR A 31 5.945 -4.441 -4.437 1.00 31.24 C ATOM 534 O TYR A 31 5.320 -3.547 -4.986 1.00 33.12 O ATOM 535 CB TYR A 31 5.384 -6.911 -4.952 1.00 62.32 C ATOM 536 CG TYR A 31 5.375 -8.059 -6.012 1.00 0.42 C ATOM 537 CD1 TYR A 31 4.742 -7.965 -7.282 1.00 13.32 C ATOM 538 CD2 TYR A 31 5.999 -9.267 -5.728 1.00 0.14 C ATOM 539 CE1 TYR A 31 4.760 -9.030 -8.184 1.00 31.13 C ATOM 540 CE2 TYR A 31 6.016 -10.320 -6.621 1.00 23.22 C ATOM 541 CZ TYR A 31 5.400 -10.198 -7.844 1.00 3.32 C ATOM 542 OH TYR A 31 5.411 -11.252 -8.728 1.00 20.34 O ATOM 0 H TYR A 31 7.823 -6.873 -4.392 1.00 44.33 H new ATOM 0 HA TYR A 31 6.171 -5.444 -6.297 1.00 11.22 H new ATOM 0 HB2 TYR A 31 5.673 -7.336 -3.991 1.00 62.32 H new ATOM 0 HB3 TYR A 31 4.365 -6.539 -4.843 1.00 62.32 H new ATOM 0 HD1 TYR A 31 4.237 -7.050 -7.554 1.00 13.32 H new ATOM 0 HD2 TYR A 31 6.489 -9.387 -4.773 1.00 0.14 H new ATOM 0 HE1 TYR A 31 4.274 -8.937 -9.144 1.00 31.13 H new ATOM 0 HE2 TYR A 31 6.514 -11.241 -6.358 1.00 23.22 H new ATOM 0 HH TYR A 31 5.906 -12.002 -8.337 1.00 20.34 H new ATOM 552 N GLY A 32 6.394 -4.316 -3.180 1.00 73.20 N ATOM 553 CA GLY A 32 6.607 -3.000 -2.608 1.00 0.15 C ATOM 554 C GLY A 32 7.875 -2.979 -1.766 1.00 21.31 C ATOM 555 O GLY A 32 8.357 -4.048 -1.416 1.00 31.54 O ATOM 0 H GLY A 32 6.610 -5.097 -2.560 1.00 73.20 H new ATOM 0 HA2 GLY A 32 6.681 -2.259 -3.404 1.00 0.15 H new ATOM 0 HA3 GLY A 32 5.751 -2.722 -1.993 1.00 0.15 H new ATOM 559 N ASN A 33 8.417 -1.800 -1.393 1.00 1.20 N ATOM 560 CA ASN A 33 9.704 -1.775 -0.683 1.00 50.12 C ATOM 561 C ASN A 33 9.514 -2.172 0.782 1.00 53.23 C ATOM 562 O ASN A 33 9.026 -1.365 1.575 1.00 41.10 O ATOM 563 CB ASN A 33 10.404 -0.406 -0.743 1.00 32.20 C ATOM 564 CG ASN A 33 11.271 -0.210 -1.973 1.00 75.22 C ATOM 565 OD1 ASN A 33 11.829 -1.163 -2.522 1.00 35.23 O ATOM 566 ND2 ASN A 33 11.409 1.035 -2.395 1.00 33.24 N ATOM 0 H ASN A 33 7.998 -0.886 -1.566 1.00 1.20 H new ATOM 0 HA ASN A 33 10.343 -2.495 -1.194 1.00 50.12 H new ATOM 0 HB2 ASN A 33 9.648 0.379 -0.715 1.00 32.20 H new ATOM 0 HB3 ASN A 33 11.021 -0.286 0.147 1.00 32.20 H new ATOM 0 HD21 ASN A 33 11.995 1.237 -3.205 1.00 33.24 H new ATOM 0 HD22 ASN A 33 10.929 1.794 -1.911 1.00 33.24 H new ATOM 573 N ILE A 34 9.872 -3.419 1.137 1.00 74.02 N ATOM 574 CA ILE A 34 9.636 -3.906 2.527 1.00 73.43 C ATOM 575 C ILE A 34 10.576 -3.251 3.595 1.00 4.44 C ATOM 576 O ILE A 34 11.775 -3.049 3.355 1.00 53.32 O ATOM 577 CB ILE A 34 9.622 -5.495 2.645 1.00 15.35 C ATOM 578 CG1 ILE A 34 9.850 -6.024 4.087 1.00 15.40 C ATOM 579 CG2 ILE A 34 10.613 -6.136 1.704 1.00 52.22 C ATOM 580 CD1 ILE A 34 11.312 -6.292 4.496 1.00 11.43 C ATOM 0 H ILE A 34 10.311 -4.095 0.512 1.00 74.02 H new ATOM 0 HA ILE A 34 8.628 -3.566 2.764 1.00 73.43 H new ATOM 0 HB ILE A 34 8.611 -5.784 2.357 1.00 15.35 H new ATOM 0 HG12 ILE A 34 9.426 -5.303 4.786 1.00 15.40 H new ATOM 0 HG13 ILE A 34 9.287 -6.950 4.204 1.00 15.40 H new ATOM 0 HG21 ILE A 34 10.572 -7.220 1.815 1.00 52.22 H new ATOM 0 HG22 ILE A 34 10.366 -5.867 0.677 1.00 52.22 H new ATOM 0 HG23 ILE A 34 11.618 -5.785 1.939 1.00 52.22 H new ATOM 0 HD11 ILE A 34 11.342 -6.657 5.523 1.00 11.43 H new ATOM 0 HD12 ILE A 34 11.744 -7.040 3.832 1.00 11.43 H new ATOM 0 HD13 ILE A 34 11.885 -5.368 4.423 1.00 11.43 H new ATOM 592 N LEU A 35 9.976 -2.875 4.757 1.00 71.12 N ATOM 593 CA LEU A 35 10.758 -2.511 5.978 1.00 4.41 C ATOM 594 C LEU A 35 11.061 -3.735 6.906 1.00 5.30 C ATOM 595 O LEU A 35 12.221 -3.908 7.289 1.00 2.41 O ATOM 596 CB LEU A 35 10.077 -1.393 6.803 1.00 52.23 C ATOM 597 CG LEU A 35 9.667 -0.132 6.028 1.00 74.13 C ATOM 598 CD1 LEU A 35 8.533 0.590 6.749 1.00 74.14 C ATOM 599 CD2 LEU A 35 10.844 0.839 5.842 1.00 1.22 C ATOM 0 H LEU A 35 8.965 -2.815 4.877 1.00 71.12 H new ATOM 0 HA LEU A 35 11.708 -2.137 5.596 1.00 4.41 H new ATOM 0 HB2 LEU A 35 9.187 -1.809 7.275 1.00 52.23 H new ATOM 0 HB3 LEU A 35 10.754 -1.098 7.604 1.00 52.23 H new ATOM 0 HG LEU A 35 9.334 -0.459 5.043 1.00 74.13 H new ATOM 0 HD11 LEU A 35 8.254 1.481 6.187 1.00 74.14 H new ATOM 0 HD12 LEU A 35 7.672 -0.073 6.828 1.00 74.14 H new ATOM 0 HD13 LEU A 35 8.862 0.879 7.747 1.00 74.14 H new ATOM 0 HD21 LEU A 35 10.508 1.716 5.289 1.00 1.22 H new ATOM 0 HD22 LEU A 35 11.219 1.147 6.818 1.00 1.22 H new ATOM 0 HD23 LEU A 35 11.640 0.343 5.287 1.00 1.22 H new ATOM 611 N LYS A 36 10.051 -4.593 7.265 1.00 65.40 N ATOM 612 CA LYS A 36 10.320 -5.852 8.020 1.00 34.15 C ATOM 613 C LYS A 36 9.402 -7.046 7.525 1.00 73.41 C ATOM 614 O LYS A 36 8.182 -6.878 7.397 1.00 55.51 O ATOM 615 CB LYS A 36 10.159 -5.591 9.570 1.00 2.43 C ATOM 616 CG LYS A 36 8.745 -5.261 10.074 1.00 44.34 C ATOM 617 CD LYS A 36 8.376 -6.136 11.270 1.00 21.34 C ATOM 618 CE LYS A 36 6.879 -6.388 11.350 1.00 21.03 C ATOM 619 NZ LYS A 36 6.111 -5.160 11.685 1.00 1.43 N ATOM 0 H LYS A 36 9.067 -4.436 7.047 1.00 65.40 H new ATOM 0 HA LYS A 36 11.348 -6.157 7.826 1.00 34.15 H new ATOM 0 HB2 LYS A 36 10.512 -6.475 10.102 1.00 2.43 H new ATOM 0 HB3 LYS A 36 10.819 -4.768 9.846 1.00 2.43 H new ATOM 0 HG2 LYS A 36 8.691 -4.210 10.357 1.00 44.34 H new ATOM 0 HG3 LYS A 36 8.024 -5.412 9.271 1.00 44.34 H new ATOM 0 HD2 LYS A 36 8.901 -7.089 11.198 1.00 21.34 H new ATOM 0 HD3 LYS A 36 8.712 -5.655 12.189 1.00 21.34 H new ATOM 0 HE2 LYS A 36 6.529 -6.782 10.396 1.00 21.03 H new ATOM 0 HE3 LYS A 36 6.682 -7.152 12.102 1.00 21.03 H new ATOM 0 HZ1 LYS A 36 5.437 -5.370 12.449 1.00 1.43 H new ATOM 0 HZ2 LYS A 36 6.766 -4.415 11.997 1.00 1.43 H new ATOM 0 HZ3 LYS A 36 5.592 -4.835 10.844 1.00 1.43 H new ATOM 633 N CYS A 37 10.001 -8.249 7.178 1.00 55.40 N ATOM 634 CA CYS A 37 9.220 -9.501 6.995 1.00 73.13 C ATOM 635 C CYS A 37 9.480 -10.379 8.200 1.00 31.13 C ATOM 636 O CYS A 37 10.611 -10.851 8.373 1.00 63.31 O ATOM 637 CB CYS A 37 9.635 -10.343 5.752 1.00 3.40 C ATOM 638 SG CYS A 37 9.976 -9.424 4.246 1.00 53.13 S ATOM 0 H CYS A 37 11.004 -8.358 7.026 1.00 55.40 H new ATOM 0 HA CYS A 37 8.180 -9.200 6.864 1.00 73.13 H new ATOM 0 HB2 CYS A 37 10.524 -10.919 6.010 1.00 3.40 H new ATOM 0 HB3 CYS A 37 8.840 -11.059 5.543 1.00 3.40 H new ATOM 0 HG CYS A 37 9.319 -9.952 3.257 1.00 53.13 H new ATOM 644 N ASP A 38 8.492 -10.586 9.056 1.00 72.34 N ATOM 645 CA ASP A 38 8.737 -11.523 10.189 1.00 1.42 C ATOM 646 C ASP A 38 7.879 -12.790 10.064 1.00 2.43 C ATOM 647 O ASP A 38 6.713 -12.722 9.678 1.00 30.01 O ATOM 648 CB ASP A 38 8.528 -10.825 11.540 1.00 14.42 C ATOM 649 CG ASP A 38 9.180 -11.556 12.700 1.00 75.35 C ATOM 650 OD1 ASP A 38 10.376 -11.884 12.606 1.00 60.24 O ATOM 651 OD2 ASP A 38 8.494 -11.772 13.721 1.00 65.11 O ATOM 0 H ASP A 38 7.566 -10.161 9.015 1.00 72.34 H new ATOM 0 HA ASP A 38 9.780 -11.836 10.142 1.00 1.42 H new ATOM 0 HB2 ASP A 38 8.930 -9.813 11.485 1.00 14.42 H new ATOM 0 HB3 ASP A 38 7.459 -10.733 11.732 1.00 14.42 H new ATOM 656 N VAL A 39 8.472 -13.951 10.391 1.00 21.50 N ATOM 657 CA VAL A 39 7.776 -15.241 10.289 1.00 34.32 C ATOM 658 C VAL A 39 7.602 -15.756 11.701 1.00 60.23 C ATOM 659 O VAL A 39 8.578 -16.128 12.365 1.00 43.42 O ATOM 660 CB VAL A 39 8.592 -16.349 9.462 1.00 45.33 C ATOM 661 CG1 VAL A 39 7.761 -17.497 8.887 1.00 32.44 C ATOM 662 CG2 VAL A 39 9.445 -15.799 8.334 1.00 74.12 C ATOM 0 H VAL A 39 9.432 -14.020 10.728 1.00 21.50 H new ATOM 0 HA VAL A 39 6.837 -15.076 9.761 1.00 34.32 H new ATOM 0 HB VAL A 39 9.232 -16.744 10.252 1.00 45.33 H new ATOM 0 HG11 VAL A 39 8.414 -18.185 8.349 1.00 32.44 H new ATOM 0 HG12 VAL A 39 7.264 -18.028 9.699 1.00 32.44 H new ATOM 0 HG13 VAL A 39 7.012 -17.097 8.203 1.00 32.44 H new ATOM 0 HG21 VAL A 39 9.958 -16.620 7.833 1.00 74.12 H new ATOM 0 HG22 VAL A 39 8.810 -15.277 7.618 1.00 74.12 H new ATOM 0 HG23 VAL A 39 10.181 -15.104 8.740 1.00 74.12 H new ATOM 672 N LYS A 40 6.365 -15.762 12.170 1.00 4.40 N ATOM 673 CA LYS A 40 6.069 -16.326 13.470 1.00 53.11 C ATOM 674 C LYS A 40 5.328 -17.682 13.290 1.00 64.32 C ATOM 675 O LYS A 40 4.532 -17.803 12.361 1.00 2.41 O ATOM 676 CB LYS A 40 5.266 -15.265 14.267 1.00 73.12 C ATOM 677 CG LYS A 40 6.064 -14.006 14.546 1.00 61.24 C ATOM 678 CD LYS A 40 6.371 -13.810 16.031 1.00 22.22 C ATOM 679 CE LYS A 40 6.571 -12.336 16.362 1.00 23.30 C ATOM 680 NZ LYS A 40 7.503 -12.136 17.500 1.00 21.11 N ATOM 0 H LYS A 40 5.558 -15.385 11.673 1.00 4.40 H new ATOM 0 HA LYS A 40 6.969 -16.556 14.040 1.00 53.11 H new ATOM 0 HB2 LYS A 40 4.367 -15.003 13.709 1.00 73.12 H new ATOM 0 HB3 LYS A 40 4.939 -15.699 15.212 1.00 73.12 H new ATOM 0 HG2 LYS A 40 7.000 -14.045 13.989 1.00 61.24 H new ATOM 0 HG3 LYS A 40 5.510 -13.142 14.178 1.00 61.24 H new ATOM 0 HD2 LYS A 40 5.554 -14.212 16.630 1.00 22.22 H new ATOM 0 HD3 LYS A 40 7.267 -14.370 16.297 1.00 22.22 H new ATOM 0 HE2 LYS A 40 6.957 -11.818 15.484 1.00 23.30 H new ATOM 0 HE3 LYS A 40 5.608 -11.885 16.601 1.00 23.30 H new ATOM 0 HZ1 LYS A 40 7.608 -11.119 17.688 1.00 21.11 H new ATOM 0 HZ2 LYS A 40 7.124 -12.607 18.346 1.00 21.11 H new ATOM 0 HZ3 LYS A 40 8.431 -12.542 17.264 1.00 21.11 H new ATOM 694 N LYS A 41 5.590 -18.723 14.136 1.00 42.52 N ATOM 695 CA LYS A 41 5.048 -20.075 13.828 1.00 3.22 C ATOM 696 C LYS A 41 4.300 -20.606 15.093 1.00 61.05 C ATOM 697 O LYS A 41 4.724 -20.287 16.211 1.00 43.44 O ATOM 698 CB LYS A 41 6.182 -21.084 13.262 1.00 33.30 C ATOM 699 CG LYS A 41 6.975 -21.950 14.269 1.00 3.10 C ATOM 700 CD LYS A 41 7.718 -21.123 15.321 1.00 2.33 C ATOM 701 CE LYS A 41 8.614 -20.033 14.718 1.00 23.31 C ATOM 702 NZ LYS A 41 9.729 -19.657 15.626 1.00 2.14 N ATOM 0 H LYS A 41 6.143 -18.658 14.991 1.00 42.52 H new ATOM 0 HA LYS A 41 4.330 -20.008 13.010 1.00 3.22 H new ATOM 0 HB2 LYS A 41 5.701 -21.758 12.553 1.00 33.30 H new ATOM 0 HB3 LYS A 41 6.901 -20.490 12.698 1.00 33.30 H new ATOM 0 HG2 LYS A 41 6.289 -22.632 14.771 1.00 3.10 H new ATOM 0 HG3 LYS A 41 7.693 -22.563 13.725 1.00 3.10 H new ATOM 0 HD2 LYS A 41 6.991 -20.658 15.987 1.00 2.33 H new ATOM 0 HD3 LYS A 41 8.329 -21.789 15.931 1.00 2.33 H new ATOM 0 HE2 LYS A 41 9.022 -20.384 13.770 1.00 23.31 H new ATOM 0 HE3 LYS A 41 8.013 -19.151 14.499 1.00 23.31 H new ATOM 0 HZ1 LYS A 41 10.308 -18.918 15.178 1.00 2.14 H new ATOM 0 HZ2 LYS A 41 9.341 -19.297 16.521 1.00 2.14 H new ATOM 0 HZ3 LYS A 41 10.319 -20.492 15.815 1.00 2.14 H new ATOM 716 N THR A 42 3.160 -21.333 14.964 1.00 23.31 N ATOM 717 CA THR A 42 2.461 -21.793 16.155 1.00 21.13 C ATOM 718 C THR A 42 2.781 -23.281 16.461 1.00 31.10 C ATOM 719 O THR A 42 3.359 -23.981 15.621 1.00 42.33 O ATOM 720 CB THR A 42 0.910 -21.559 16.052 1.00 12.13 C ATOM 721 OG1 THR A 42 0.276 -21.766 17.319 1.00 55.41 O ATOM 722 CG2 THR A 42 0.241 -22.465 15.010 1.00 53.55 C ATOM 0 H THR A 42 2.732 -21.597 14.077 1.00 23.31 H new ATOM 0 HA THR A 42 2.826 -21.193 16.989 1.00 21.13 H new ATOM 0 HB THR A 42 0.784 -20.524 15.734 1.00 12.13 H new ATOM 0 HG1 THR A 42 -0.688 -21.613 17.231 1.00 55.41 H new ATOM 0 HG21 THR A 42 -0.829 -22.260 14.983 1.00 53.55 H new ATOM 0 HG22 THR A 42 0.673 -22.271 14.028 1.00 53.55 H new ATOM 0 HG23 THR A 42 0.403 -23.509 15.278 1.00 53.55 H new ATOM 730 N VAL A 43 2.397 -23.742 17.676 1.00 41.53 N ATOM 731 CA VAL A 43 2.516 -25.152 18.121 1.00 24.51 C ATOM 732 C VAL A 43 1.702 -26.207 17.290 1.00 64.03 C ATOM 733 O VAL A 43 1.870 -27.409 17.511 1.00 20.01 O ATOM 734 CB VAL A 43 2.184 -25.292 19.650 1.00 72.52 C ATOM 735 CG1 VAL A 43 3.189 -24.506 20.482 1.00 10.15 C ATOM 736 CG2 VAL A 43 0.756 -24.841 20.004 1.00 24.23 C ATOM 0 H VAL A 43 1.989 -23.134 18.386 1.00 41.53 H new ATOM 0 HA VAL A 43 3.562 -25.397 17.935 1.00 24.51 H new ATOM 0 HB VAL A 43 2.251 -26.355 19.883 1.00 72.52 H new ATOM 0 HG11 VAL A 43 2.947 -24.612 21.540 1.00 10.15 H new ATOM 0 HG12 VAL A 43 4.192 -24.890 20.299 1.00 10.15 H new ATOM 0 HG13 VAL A 43 3.147 -23.453 20.204 1.00 10.15 H new ATOM 0 HG21 VAL A 43 0.591 -24.963 21.074 1.00 24.23 H new ATOM 0 HG22 VAL A 43 0.628 -23.793 19.734 1.00 24.23 H new ATOM 0 HG23 VAL A 43 0.036 -25.447 19.454 1.00 24.23 H new ATOM 746 N SER A 44 0.838 -25.780 16.341 1.00 44.55 N ATOM 747 CA SER A 44 -0.046 -26.695 15.613 1.00 71.25 C ATOM 748 C SER A 44 0.564 -27.058 14.234 1.00 54.20 C ATOM 749 O SER A 44 -0.087 -27.713 13.412 1.00 32.42 O ATOM 750 CB SER A 44 -1.454 -26.051 15.445 1.00 41.14 C ATOM 751 OG SER A 44 -2.428 -27.009 15.061 1.00 45.33 O ATOM 0 H SER A 44 0.740 -24.802 16.067 1.00 44.55 H new ATOM 0 HA SER A 44 -0.152 -27.616 16.186 1.00 71.25 H new ATOM 0 HB2 SER A 44 -1.754 -25.583 16.383 1.00 41.14 H new ATOM 0 HB3 SER A 44 -1.406 -25.261 14.696 1.00 41.14 H new ATOM 0 HG SER A 44 -2.067 -27.574 14.347 1.00 45.33 H new ATOM 757 N GLY A 45 1.823 -26.632 13.996 1.00 44.24 N ATOM 758 CA GLY A 45 2.494 -26.856 12.702 1.00 22.31 C ATOM 759 C GLY A 45 2.152 -25.845 11.586 1.00 72.31 C ATOM 760 O GLY A 45 2.728 -25.920 10.499 1.00 21.11 O ATOM 0 H GLY A 45 2.391 -26.134 14.681 1.00 44.24 H new ATOM 0 HA2 GLY A 45 3.572 -26.839 12.865 1.00 22.31 H new ATOM 0 HA3 GLY A 45 2.241 -27.856 12.351 1.00 22.31 H new ATOM 764 N ALA A 46 1.224 -24.916 11.844 1.00 41.32 N ATOM 765 CA ALA A 46 0.854 -23.873 10.878 1.00 12.03 C ATOM 766 C ALA A 46 1.853 -22.676 10.957 1.00 74.31 C ATOM 767 O ALA A 46 2.195 -22.226 12.059 1.00 53.03 O ATOM 768 CB ALA A 46 -0.610 -23.445 11.139 1.00 72.30 C ATOM 0 H ALA A 46 0.710 -24.865 12.724 1.00 41.32 H new ATOM 0 HA ALA A 46 0.917 -24.260 9.861 1.00 12.03 H new ATOM 0 HB1 ALA A 46 -0.895 -22.671 10.427 1.00 72.30 H new ATOM 0 HB2 ALA A 46 -1.267 -24.306 11.021 1.00 72.30 H new ATOM 0 HB3 ALA A 46 -0.700 -23.056 12.153 1.00 72.30 H new ATOM 774 N ALA A 47 2.320 -22.164 9.789 1.00 1.10 N ATOM 775 CA ALA A 47 3.301 -21.039 9.756 1.00 52.32 C ATOM 776 C ALA A 47 2.563 -19.760 9.369 1.00 52.42 C ATOM 777 O ALA A 47 1.561 -19.841 8.641 1.00 15.23 O ATOM 778 CB ALA A 47 4.525 -21.275 8.799 1.00 65.14 C ATOM 0 H ALA A 47 2.040 -22.504 8.869 1.00 1.10 H new ATOM 0 HA ALA A 47 3.731 -20.961 10.755 1.00 52.32 H new ATOM 0 HB1 ALA A 47 5.187 -20.410 8.835 1.00 65.14 H new ATOM 0 HB2 ALA A 47 5.070 -22.163 9.118 1.00 65.14 H new ATOM 0 HB3 ALA A 47 4.168 -21.415 7.779 1.00 65.14 H new ATOM 784 N PHE A 48 3.012 -18.577 9.841 1.00 50.14 N ATOM 785 CA PHE A 48 2.375 -17.357 9.392 1.00 62.02 C ATOM 786 C PHE A 48 3.430 -16.412 8.809 1.00 1.52 C ATOM 787 O PHE A 48 4.558 -16.356 9.315 1.00 52.45 O ATOM 788 CB PHE A 48 1.730 -16.653 10.606 1.00 21.13 C ATOM 789 CG PHE A 48 0.871 -17.545 11.442 1.00 71.11 C ATOM 790 CD1 PHE A 48 -0.438 -17.790 11.091 1.00 73.12 C ATOM 791 CD2 PHE A 48 1.377 -18.134 12.586 1.00 62.24 C ATOM 792 CE1 PHE A 48 -1.224 -18.612 11.857 1.00 31.14 C ATOM 793 CE2 PHE A 48 0.609 -18.938 13.349 1.00 62.34 C ATOM 794 CZ PHE A 48 -0.699 -19.196 12.997 1.00 72.42 C ATOM 0 H PHE A 48 3.779 -18.458 10.503 1.00 50.14 H new ATOM 0 HA PHE A 48 1.626 -17.599 8.638 1.00 62.02 H new ATOM 0 HB2 PHE A 48 2.519 -16.235 11.232 1.00 21.13 H new ATOM 0 HB3 PHE A 48 1.129 -15.816 10.250 1.00 21.13 H new ATOM 0 HD1 PHE A 48 -0.849 -17.331 10.204 1.00 73.12 H new ATOM 0 HD2 PHE A 48 2.401 -17.948 12.872 1.00 62.24 H new ATOM 0 HE1 PHE A 48 -2.248 -18.803 11.572 1.00 31.14 H new ATOM 0 HE2 PHE A 48 1.021 -19.383 14.242 1.00 62.34 H new ATOM 0 HZ PHE A 48 -1.308 -19.848 13.605 1.00 72.42 H new ATOM 804 N ALA A 49 3.062 -15.650 7.767 1.00 72.14 N ATOM 805 CA ALA A 49 3.982 -14.665 7.192 1.00 5.01 C ATOM 806 C ALA A 49 3.428 -13.259 7.391 1.00 11.21 C ATOM 807 O ALA A 49 2.227 -13.035 7.243 1.00 61.32 O ATOM 808 CB ALA A 49 4.275 -14.979 5.706 1.00 22.44 C ATOM 0 H ALA A 49 2.149 -15.697 7.314 1.00 72.14 H new ATOM 0 HA ALA A 49 4.937 -14.721 7.714 1.00 5.01 H new ATOM 0 HB1 ALA A 49 4.960 -14.232 5.305 1.00 22.44 H new ATOM 0 HB2 ALA A 49 4.727 -15.967 5.625 1.00 22.44 H new ATOM 0 HB3 ALA A 49 3.344 -14.959 5.139 1.00 22.44 H new ATOM 814 N PHE A 50 4.302 -12.318 7.759 1.00 14.04 N ATOM 815 CA PHE A 50 3.871 -10.988 8.109 1.00 34.12 C ATOM 816 C PHE A 50 4.750 -9.986 7.352 1.00 63.42 C ATOM 817 O PHE A 50 5.975 -9.922 7.624 1.00 22.25 O ATOM 818 CB PHE A 50 4.019 -10.807 9.636 1.00 34.23 C ATOM 819 CG PHE A 50 2.870 -10.091 10.293 1.00 55.42 C ATOM 820 CD1 PHE A 50 2.114 -9.147 9.618 1.00 65.12 C ATOM 821 CD2 PHE A 50 2.535 -10.393 11.604 1.00 72.31 C ATOM 822 CE1 PHE A 50 1.059 -8.515 10.235 1.00 44.50 C ATOM 823 CE2 PHE A 50 1.479 -9.762 12.226 1.00 34.24 C ATOM 824 CZ PHE A 50 0.736 -8.822 11.539 1.00 35.22 C ATOM 0 H PHE A 50 5.310 -12.466 7.818 1.00 14.04 H new ATOM 0 HA PHE A 50 2.828 -10.824 7.838 1.00 34.12 H new ATOM 0 HB2 PHE A 50 4.130 -11.789 10.097 1.00 34.23 H new ATOM 0 HB3 PHE A 50 4.937 -10.255 9.837 1.00 34.23 H new ATOM 0 HD1 PHE A 50 2.356 -8.904 8.594 1.00 65.12 H new ATOM 0 HD2 PHE A 50 3.108 -11.132 12.144 1.00 72.31 H new ATOM 0 HE1 PHE A 50 0.483 -7.777 9.696 1.00 44.50 H new ATOM 0 HE2 PHE A 50 1.233 -10.002 13.250 1.00 34.24 H new ATOM 0 HZ PHE A 50 -0.095 -8.329 12.022 1.00 35.22 H new ATOM 834 N ILE A 51 4.153 -9.182 6.431 1.00 11.41 N ATOM 835 CA ILE A 51 5.026 -8.334 5.552 1.00 24.53 C ATOM 836 C ILE A 51 4.652 -6.874 5.671 1.00 52.53 C ATOM 837 O ILE A 51 3.648 -6.435 5.129 1.00 71.43 O ATOM 838 CB ILE A 51 5.054 -8.677 3.990 1.00 14.15 C ATOM 839 CG1 ILE A 51 5.117 -10.182 3.620 1.00 3.42 C ATOM 840 CG2 ILE A 51 6.312 -8.039 3.399 1.00 41.55 C ATOM 841 CD1 ILE A 51 3.979 -11.112 4.076 1.00 65.13 C ATOM 0 H ILE A 51 3.148 -9.098 6.277 1.00 11.41 H new ATOM 0 HA ILE A 51 6.021 -8.563 5.935 1.00 24.53 H new ATOM 0 HB ILE A 51 4.110 -8.299 3.598 1.00 14.15 H new ATOM 0 HG12 ILE A 51 5.183 -10.251 2.534 1.00 3.42 H new ATOM 0 HG13 ILE A 51 6.048 -10.581 4.022 1.00 3.42 H new ATOM 0 HG21 ILE A 51 6.362 -8.254 2.332 1.00 41.55 H new ATOM 0 HG22 ILE A 51 6.278 -6.960 3.550 1.00 41.55 H new ATOM 0 HG23 ILE A 51 7.194 -8.447 3.893 1.00 41.55 H new ATOM 0 HD11 ILE A 51 4.180 -12.127 3.734 1.00 65.13 H new ATOM 0 HD12 ILE A 51 3.914 -11.101 5.164 1.00 65.13 H new ATOM 0 HD13 ILE A 51 3.036 -10.767 3.653 1.00 65.13 H new ATOM 853 N GLU A 52 5.526 -6.122 6.311 1.00 32.14 N ATOM 854 CA GLU A 52 5.318 -4.680 6.513 1.00 31.10 C ATOM 855 C GLU A 52 6.181 -3.854 5.529 1.00 62.45 C ATOM 856 O GLU A 52 7.406 -3.832 5.648 1.00 34.21 O ATOM 857 CB GLU A 52 5.633 -4.294 7.960 1.00 2.14 C ATOM 858 CG GLU A 52 5.447 -2.807 8.290 1.00 31.33 C ATOM 859 CD GLU A 52 5.977 -2.456 9.666 1.00 52.22 C ATOM 860 OE1 GLU A 52 5.209 -2.544 10.632 1.00 21.34 O ATOM 861 OE2 GLU A 52 7.168 -2.118 9.781 1.00 70.34 O ATOM 0 H GLU A 52 6.396 -6.478 6.707 1.00 32.14 H new ATOM 0 HA GLU A 52 4.270 -4.455 6.313 1.00 31.10 H new ATOM 0 HB2 GLU A 52 4.997 -4.880 8.623 1.00 2.14 H new ATOM 0 HB3 GLU A 52 6.664 -4.573 8.178 1.00 2.14 H new ATOM 0 HG2 GLU A 52 5.959 -2.203 7.540 1.00 31.33 H new ATOM 0 HG3 GLU A 52 4.388 -2.554 8.235 1.00 31.33 H new ATOM 868 N PHE A 53 5.540 -3.224 4.529 1.00 33.14 N ATOM 869 CA PHE A 53 6.263 -2.416 3.511 1.00 22.31 C ATOM 870 C PHE A 53 5.902 -0.910 3.577 1.00 22.21 C ATOM 871 O PHE A 53 4.836 -0.576 4.111 1.00 55.45 O ATOM 872 CB PHE A 53 6.080 -2.999 2.049 1.00 4.34 C ATOM 873 CG PHE A 53 4.876 -3.867 1.818 1.00 10.54 C ATOM 874 CD1 PHE A 53 3.623 -3.409 2.157 1.00 50.50 C ATOM 875 CD2 PHE A 53 4.993 -5.137 1.251 1.00 10.42 C ATOM 876 CE1 PHE A 53 2.522 -4.179 1.960 1.00 44.53 C ATOM 877 CE2 PHE A 53 3.893 -5.908 1.058 1.00 52.30 C ATOM 878 CZ PHE A 53 2.652 -5.431 1.413 1.00 23.51 C ATOM 0 H PHE A 53 4.529 -3.254 4.398 1.00 33.14 H new ATOM 0 HA PHE A 53 7.322 -2.493 3.759 1.00 22.31 H new ATOM 0 HB2 PHE A 53 6.036 -2.163 1.351 1.00 4.34 H new ATOM 0 HB3 PHE A 53 6.970 -3.577 1.798 1.00 4.34 H new ATOM 0 HD1 PHE A 53 3.514 -2.424 2.586 1.00 50.50 H new ATOM 0 HD2 PHE A 53 5.966 -5.509 0.964 1.00 10.42 H new ATOM 0 HE1 PHE A 53 1.546 -3.807 2.233 1.00 44.53 H new ATOM 0 HE2 PHE A 53 3.991 -6.893 0.627 1.00 52.30 H new ATOM 0 HZ PHE A 53 1.776 -6.045 1.260 1.00 23.51 H new ATOM 888 N GLU A 54 6.808 0.003 3.076 1.00 70.21 N ATOM 889 CA GLU A 54 6.420 1.446 2.822 1.00 14.11 C ATOM 890 C GLU A 54 5.259 1.588 1.819 1.00 63.34 C ATOM 891 O GLU A 54 4.439 2.500 1.958 1.00 73.15 O ATOM 892 CB GLU A 54 7.575 2.415 2.351 1.00 14.43 C ATOM 893 CG GLU A 54 8.239 2.105 0.992 1.00 62.31 C ATOM 894 CD GLU A 54 9.661 2.640 0.895 1.00 11.33 C ATOM 895 OE1 GLU A 54 10.527 2.182 1.670 1.00 30.14 O ATOM 896 OE2 GLU A 54 9.923 3.490 0.015 1.00 50.52 O ATOM 0 H GLU A 54 7.776 -0.221 2.847 1.00 70.21 H new ATOM 0 HA GLU A 54 6.121 1.761 3.822 1.00 14.11 H new ATOM 0 HB2 GLU A 54 7.172 3.427 2.308 1.00 14.43 H new ATOM 0 HB3 GLU A 54 8.352 2.413 3.116 1.00 14.43 H new ATOM 0 HG2 GLU A 54 8.250 1.026 0.836 1.00 62.31 H new ATOM 0 HG3 GLU A 54 7.638 2.537 0.192 1.00 62.31 H new ATOM 903 N ASP A 55 5.142 0.689 0.828 1.00 45.23 N ATOM 904 CA ASP A 55 4.082 0.849 -0.150 1.00 11.03 C ATOM 905 C ASP A 55 3.098 -0.319 -0.050 1.00 33.24 C ATOM 906 O ASP A 55 3.452 -1.455 -0.377 1.00 21.51 O ATOM 907 CB ASP A 55 4.670 0.859 -1.581 1.00 65.54 C ATOM 908 CG ASP A 55 5.652 1.981 -1.827 1.00 73.42 C ATOM 909 OD1 ASP A 55 5.221 3.156 -1.823 1.00 55.32 O ATOM 910 OD2 ASP A 55 6.843 1.687 -2.056 1.00 3.12 O ATOM 0 H ASP A 55 5.747 -0.121 0.694 1.00 45.23 H new ATOM 0 HA ASP A 55 3.573 1.792 0.052 1.00 11.03 H new ATOM 0 HB2 ASP A 55 5.166 -0.093 -1.767 1.00 65.54 H new ATOM 0 HB3 ASP A 55 3.854 0.939 -2.299 1.00 65.54 H new ATOM 915 N ALA A 56 1.850 -0.037 0.382 1.00 12.24 N ATOM 916 CA ALA A 56 0.781 -1.058 0.319 1.00 53.13 C ATOM 917 C ALA A 56 0.152 -1.300 -1.075 1.00 71.51 C ATOM 918 O ALA A 56 -0.108 -2.459 -1.414 1.00 32.55 O ATOM 919 CB ALA A 56 -0.310 -0.862 1.382 1.00 30.41 C ATOM 0 H ALA A 56 1.562 0.862 0.768 1.00 12.24 H new ATOM 0 HA ALA A 56 1.326 -1.973 0.548 1.00 53.13 H new ATOM 0 HB1 ALA A 56 -1.062 -1.644 1.280 1.00 30.41 H new ATOM 0 HB2 ALA A 56 0.136 -0.915 2.375 1.00 30.41 H new ATOM 0 HB3 ALA A 56 -0.779 0.113 1.247 1.00 30.41 H new ATOM 925 N ARG A 57 -0.118 -0.243 -1.881 1.00 53.11 N ATOM 926 CA ARG A 57 -0.943 -0.438 -3.101 1.00 14.14 C ATOM 927 C ARG A 57 -0.189 -1.132 -4.295 1.00 61.34 C ATOM 928 O ARG A 57 -0.836 -1.859 -5.043 1.00 3.23 O ATOM 929 CB ARG A 57 -1.740 0.835 -3.544 1.00 0.32 C ATOM 930 CG ARG A 57 -1.066 1.785 -4.556 1.00 51.12 C ATOM 931 CD ARG A 57 -1.425 3.240 -4.265 1.00 62.14 C ATOM 932 NE ARG A 57 -1.106 4.134 -5.379 1.00 23.25 N ATOM 933 CZ ARG A 57 -1.137 5.471 -5.313 1.00 0.25 C ATOM 934 NH1 ARG A 57 -1.468 6.095 -4.179 1.00 65.22 N ATOM 935 NH2 ARG A 57 -0.888 6.182 -6.403 1.00 11.42 N ATOM 0 H ARG A 57 0.205 0.711 -1.721 1.00 53.11 H new ATOM 0 HA ARG A 57 -1.696 -1.159 -2.785 1.00 14.14 H new ATOM 0 HB2 ARG A 57 -2.687 0.506 -3.972 1.00 0.32 H new ATOM 0 HB3 ARG A 57 -1.977 1.411 -2.649 1.00 0.32 H new ATOM 0 HG2 ARG A 57 0.016 1.658 -4.514 1.00 51.12 H new ATOM 0 HG3 ARG A 57 -1.378 1.525 -5.567 1.00 51.12 H new ATOM 0 HD2 ARG A 57 -2.490 3.310 -4.042 1.00 62.14 H new ATOM 0 HD3 ARG A 57 -0.890 3.571 -3.374 1.00 62.14 H new ATOM 0 HE ARG A 57 -0.842 3.709 -6.268 1.00 23.25 H new ATOM 0 HH11 ARG A 57 -1.702 5.552 -3.348 1.00 65.22 H new ATOM 0 HH12 ARG A 57 -1.487 7.114 -4.145 1.00 65.22 H new ATOM 0 HH21 ARG A 57 -0.675 5.710 -7.282 1.00 11.42 H new ATOM 0 HH22 ARG A 57 -0.909 7.201 -6.363 1.00 11.42 H new ATOM 949 N ASP A 58 1.151 -0.917 -4.498 1.00 34.33 N ATOM 950 CA ASP A 58 1.908 -1.704 -5.552 1.00 0.41 C ATOM 951 C ASP A 58 2.073 -3.240 -5.214 1.00 74.14 C ATOM 952 O ASP A 58 1.883 -4.091 -6.089 1.00 23.41 O ATOM 953 CB ASP A 58 3.289 -1.055 -5.905 1.00 65.05 C ATOM 954 CG ASP A 58 3.417 -0.748 -7.381 1.00 4.32 C ATOM 955 OD1 ASP A 58 2.523 -0.074 -7.915 1.00 51.03 O ATOM 956 OD2 ASP A 58 4.417 -1.150 -8.000 1.00 52.45 O ATOM 0 H ASP A 58 1.713 -0.242 -3.979 1.00 34.33 H new ATOM 0 HA ASP A 58 1.275 -1.654 -6.438 1.00 0.41 H new ATOM 0 HB2 ASP A 58 3.413 -0.136 -5.333 1.00 65.05 H new ATOM 0 HB3 ASP A 58 4.092 -1.728 -5.605 1.00 65.05 H new ATOM 961 N ALA A 59 2.445 -3.570 -3.949 1.00 73.02 N ATOM 962 CA ALA A 59 2.492 -4.938 -3.357 1.00 33.10 C ATOM 963 C ALA A 59 1.193 -5.854 -3.525 1.00 62.14 C ATOM 964 O ALA A 59 1.221 -7.120 -3.339 1.00 21.00 O ATOM 965 CB ALA A 59 2.958 -4.756 -1.919 1.00 13.52 C ATOM 0 H ALA A 59 2.735 -2.856 -3.280 1.00 73.02 H new ATOM 0 HA ALA A 59 3.193 -5.542 -3.933 1.00 33.10 H new ATOM 0 HB1 ALA A 59 3.013 -5.728 -1.429 1.00 13.52 H new ATOM 0 HB2 ALA A 59 3.943 -4.290 -1.912 1.00 13.52 H new ATOM 0 HB3 ALA A 59 2.252 -4.120 -1.385 1.00 13.52 H new ATOM 971 N ALA A 60 0.048 -5.211 -3.777 1.00 45.11 N ATOM 972 CA ALA A 60 -1.189 -5.884 -4.220 1.00 21.34 C ATOM 973 C ALA A 60 -0.975 -6.882 -5.433 1.00 74.33 C ATOM 974 O ALA A 60 -1.678 -7.897 -5.471 1.00 54.32 O ATOM 975 CB ALA A 60 -2.290 -4.820 -4.515 1.00 72.33 C ATOM 0 H ALA A 60 -0.053 -4.201 -3.680 1.00 45.11 H new ATOM 0 HA ALA A 60 -1.523 -6.521 -3.401 1.00 21.34 H new ATOM 0 HB1 ALA A 60 -3.201 -5.321 -4.842 1.00 72.33 H new ATOM 0 HB2 ALA A 60 -2.495 -4.248 -3.610 1.00 72.33 H new ATOM 0 HB3 ALA A 60 -1.945 -4.147 -5.300 1.00 72.33 H new ATOM 981 N ASP A 61 -0.026 -6.599 -6.414 1.00 53.43 N ATOM 982 CA ASP A 61 0.471 -7.622 -7.405 1.00 73.41 C ATOM 983 C ASP A 61 0.980 -8.931 -6.750 1.00 65.31 C ATOM 984 O ASP A 61 0.664 -10.035 -7.238 1.00 22.21 O ATOM 985 CB ASP A 61 1.563 -7.044 -8.336 1.00 0.30 C ATOM 986 CG ASP A 61 0.989 -6.114 -9.397 1.00 43.35 C ATOM 987 OD1 ASP A 61 0.692 -4.945 -9.080 1.00 74.24 O ATOM 988 OD2 ASP A 61 0.846 -6.560 -10.558 1.00 63.21 O ATOM 0 H ASP A 61 0.398 -5.679 -6.529 1.00 53.43 H new ATOM 0 HA ASP A 61 -0.406 -7.880 -7.999 1.00 73.41 H new ATOM 0 HB2 ASP A 61 2.296 -6.501 -7.739 1.00 0.30 H new ATOM 0 HB3 ASP A 61 2.092 -7.863 -8.823 1.00 0.30 H new ATOM 993 N ALA A 62 1.776 -8.833 -5.679 1.00 4.35 N ATOM 994 CA ALA A 62 2.157 -10.033 -4.899 1.00 21.50 C ATOM 995 C ALA A 62 0.940 -10.720 -4.323 1.00 51.41 C ATOM 996 O ALA A 62 0.745 -11.936 -4.580 1.00 70.02 O ATOM 997 CB ALA A 62 3.158 -9.766 -3.757 1.00 31.43 C ATOM 0 H ALA A 62 2.166 -7.957 -5.332 1.00 4.35 H new ATOM 0 HA ALA A 62 2.659 -10.676 -5.622 1.00 21.50 H new ATOM 0 HB1 ALA A 62 3.379 -10.700 -3.241 1.00 31.43 H new ATOM 0 HB2 ALA A 62 4.078 -9.352 -4.169 1.00 31.43 H new ATOM 0 HB3 ALA A 62 2.725 -9.056 -3.052 1.00 31.43 H new ATOM 1003 N ILE A 63 0.087 -9.983 -3.576 1.00 2.23 N ATOM 1004 CA ILE A 63 -1.017 -10.691 -2.910 1.00 14.33 C ATOM 1005 C ILE A 63 -2.007 -11.378 -3.895 1.00 64.14 C ATOM 1006 O ILE A 63 -2.415 -12.488 -3.616 1.00 34.55 O ATOM 1007 CB ILE A 63 -1.744 -9.868 -1.796 1.00 43.44 C ATOM 1008 CG1 ILE A 63 -2.124 -10.876 -0.678 1.00 53.12 C ATOM 1009 CG2 ILE A 63 -2.959 -9.079 -2.288 1.00 4.55 C ATOM 1010 CD1 ILE A 63 -3.260 -10.472 0.231 1.00 2.45 C ATOM 0 H ILE A 63 0.135 -8.975 -3.428 1.00 2.23 H new ATOM 0 HA ILE A 63 -0.517 -11.499 -2.377 1.00 14.33 H new ATOM 0 HB ILE A 63 -1.070 -9.094 -1.428 1.00 43.44 H new ATOM 0 HG12 ILE A 63 -2.383 -11.825 -1.147 1.00 53.12 H new ATOM 0 HG13 ILE A 63 -1.241 -11.054 -0.064 1.00 53.12 H new ATOM 0 HG21 ILE A 63 -3.404 -8.537 -1.453 1.00 4.55 H new ATOM 0 HG22 ILE A 63 -2.646 -8.370 -3.055 1.00 4.55 H new ATOM 0 HG23 ILE A 63 -3.694 -9.766 -2.707 1.00 4.55 H new ATOM 0 HD11 ILE A 63 -3.431 -11.255 0.969 1.00 2.45 H new ATOM 0 HD12 ILE A 63 -3.005 -9.543 0.740 1.00 2.45 H new ATOM 0 HD13 ILE A 63 -4.164 -10.326 -0.360 1.00 2.45 H new ATOM 1022 N LYS A 64 -2.374 -10.733 -5.012 1.00 25.22 N ATOM 1023 CA LYS A 64 -3.091 -11.425 -6.105 1.00 53.41 C ATOM 1024 C LYS A 64 -2.317 -12.593 -6.783 1.00 10.40 C ATOM 1025 O LYS A 64 -2.966 -13.543 -7.212 1.00 21.52 O ATOM 1026 CB LYS A 64 -3.643 -10.447 -7.206 1.00 74.43 C ATOM 1027 CG LYS A 64 -2.635 -9.530 -7.968 1.00 71.13 C ATOM 1028 CD LYS A 64 -1.817 -10.227 -9.077 1.00 30.53 C ATOM 1029 CE LYS A 64 -1.302 -9.262 -10.135 1.00 63.30 C ATOM 1030 NZ LYS A 64 -2.175 -9.200 -11.326 1.00 22.32 N ATOM 0 H LYS A 64 -2.191 -9.745 -5.186 1.00 25.22 H new ATOM 0 HA LYS A 64 -3.931 -11.877 -5.577 1.00 53.41 H new ATOM 0 HB2 LYS A 64 -4.169 -11.048 -7.948 1.00 74.43 H new ATOM 0 HB3 LYS A 64 -4.384 -9.802 -6.734 1.00 74.43 H new ATOM 0 HG2 LYS A 64 -3.187 -8.702 -8.413 1.00 71.13 H new ATOM 0 HG3 LYS A 64 -1.942 -9.100 -7.245 1.00 71.13 H new ATOM 0 HD2 LYS A 64 -0.972 -10.746 -8.625 1.00 30.53 H new ATOM 0 HD3 LYS A 64 -2.437 -10.985 -9.556 1.00 30.53 H new ATOM 0 HE2 LYS A 64 -1.216 -8.266 -9.701 1.00 63.30 H new ATOM 0 HE3 LYS A 64 -0.300 -9.565 -10.440 1.00 63.30 H new ATOM 0 HZ1 LYS A 64 -1.777 -8.529 -12.013 1.00 22.32 H new ATOM 0 HZ2 LYS A 64 -2.238 -10.143 -11.760 1.00 22.32 H new ATOM 0 HZ3 LYS A 64 -3.125 -8.885 -11.044 1.00 22.32 H new ATOM 1044 N GLU A 65 -0.960 -12.542 -6.947 1.00 1.22 N ATOM 1045 CA GLU A 65 -0.251 -13.713 -7.540 1.00 73.41 C ATOM 1046 C GLU A 65 -0.337 -14.935 -6.625 1.00 54.14 C ATOM 1047 O GLU A 65 -0.398 -16.062 -7.124 1.00 23.10 O ATOM 1048 CB GLU A 65 1.234 -13.431 -7.921 1.00 73.12 C ATOM 1049 CG GLU A 65 2.235 -13.479 -6.767 1.00 22.44 C ATOM 1050 CD GLU A 65 3.081 -14.752 -6.718 1.00 70.41 C ATOM 1051 OE1 GLU A 65 3.730 -15.078 -7.729 1.00 12.03 O ATOM 1052 OE2 GLU A 65 3.075 -15.445 -5.670 1.00 64.12 O ATOM 0 H GLU A 65 -0.367 -11.752 -6.693 1.00 1.22 H new ATOM 0 HA GLU A 65 -0.774 -13.920 -8.474 1.00 73.41 H new ATOM 0 HB2 GLU A 65 1.541 -14.157 -8.674 1.00 73.12 H new ATOM 0 HB3 GLU A 65 1.290 -12.447 -8.386 1.00 73.12 H new ATOM 0 HG2 GLU A 65 2.899 -12.618 -6.842 1.00 22.44 H new ATOM 0 HG3 GLU A 65 1.692 -13.381 -5.827 1.00 22.44 H new ATOM 1059 N LYS A 66 -0.318 -14.733 -5.295 1.00 62.34 N ATOM 1060 CA LYS A 66 -0.533 -15.871 -4.420 1.00 63.41 C ATOM 1061 C LYS A 66 -1.975 -15.936 -3.790 1.00 31.30 C ATOM 1062 O LYS A 66 -2.173 -16.691 -2.846 1.00 32.44 O ATOM 1063 CB LYS A 66 0.667 -16.020 -3.429 1.00 23.23 C ATOM 1064 CG LYS A 66 0.692 -15.153 -2.149 1.00 2.32 C ATOM 1065 CD LYS A 66 1.455 -13.810 -2.267 1.00 40.41 C ATOM 1066 CE LYS A 66 2.899 -13.916 -2.818 1.00 34.53 C ATOM 1067 NZ LYS A 66 3.726 -14.937 -2.105 1.00 61.32 N ATOM 0 H LYS A 66 -0.164 -13.837 -4.832 1.00 62.34 H new ATOM 0 HA LYS A 66 -0.533 -16.778 -5.024 1.00 63.41 H new ATOM 0 HB2 LYS A 66 0.712 -17.064 -3.120 1.00 23.23 H new ATOM 0 HB3 LYS A 66 1.581 -15.813 -3.985 1.00 23.23 H new ATOM 0 HG2 LYS A 66 -0.336 -14.942 -1.854 1.00 2.32 H new ATOM 0 HG3 LYS A 66 1.141 -15.736 -1.345 1.00 2.32 H new ATOM 0 HD2 LYS A 66 0.885 -13.143 -2.913 1.00 40.41 H new ATOM 0 HD3 LYS A 66 1.493 -13.345 -1.282 1.00 40.41 H new ATOM 0 HE2 LYS A 66 2.859 -14.166 -3.878 1.00 34.53 H new ATOM 0 HE3 LYS A 66 3.384 -12.943 -2.737 1.00 34.53 H new ATOM 0 HZ1 LYS A 66 4.680 -14.961 -2.518 1.00 61.32 H new ATOM 0 HZ2 LYS A 66 3.791 -14.689 -1.097 1.00 61.32 H new ATOM 0 HZ3 LYS A 66 3.283 -15.873 -2.203 1.00 61.32 H new ATOM 1081 N ASP A 67 -2.993 -15.206 -4.372 1.00 21.52 N ATOM 1082 CA ASP A 67 -4.378 -15.110 -3.784 1.00 23.31 C ATOM 1083 C ASP A 67 -5.167 -16.409 -3.910 1.00 40.42 C ATOM 1084 O ASP A 67 -4.803 -17.277 -4.716 1.00 21.34 O ATOM 1085 CB ASP A 67 -5.287 -13.917 -4.161 1.00 35.12 C ATOM 1086 CG ASP A 67 -6.155 -14.093 -5.414 1.00 61.24 C ATOM 1087 OD1 ASP A 67 -5.623 -14.122 -6.536 1.00 30.01 O ATOM 1088 OD2 ASP A 67 -7.393 -14.186 -5.259 1.00 22.55 O ATOM 0 H ASP A 67 -2.879 -14.682 -5.239 1.00 21.52 H new ATOM 0 HA ASP A 67 -4.108 -14.902 -2.749 1.00 23.31 H new ATOM 0 HB2 ASP A 67 -5.944 -13.707 -3.317 1.00 35.12 H new ATOM 0 HB3 ASP A 67 -4.658 -13.038 -4.302 1.00 35.12 H new ATOM 1093 N GLY A 68 -6.249 -16.561 -3.131 1.00 3.32 N ATOM 1094 CA GLY A 68 -6.790 -17.879 -2.938 1.00 13.10 C ATOM 1095 C GLY A 68 -6.833 -18.364 -1.502 1.00 63.35 C ATOM 1096 O GLY A 68 -6.595 -19.551 -1.279 1.00 34.31 O ATOM 0 H GLY A 68 -6.739 -15.807 -2.648 1.00 3.32 H new ATOM 0 HA2 GLY A 68 -7.803 -17.899 -3.340 1.00 13.10 H new ATOM 0 HA3 GLY A 68 -6.200 -18.584 -3.524 1.00 13.10 H new ATOM 1100 N CYS A 69 -7.024 -17.432 -0.509 1.00 13.05 N ATOM 1101 CA CYS A 69 -7.154 -17.828 0.892 1.00 13.10 C ATOM 1102 C CYS A 69 -8.213 -18.923 1.078 1.00 22.23 C ATOM 1103 O CYS A 69 -9.376 -18.764 0.698 1.00 62.30 O ATOM 1104 CB CYS A 69 -7.594 -16.583 1.715 1.00 74.40 C ATOM 1105 SG CYS A 69 -8.310 -15.250 0.724 1.00 74.33 S ATOM 0 H CYS A 69 -7.087 -16.427 -0.673 1.00 13.05 H new ATOM 0 HA CYS A 69 -6.193 -18.217 1.227 1.00 13.10 H new ATOM 0 HB2 CYS A 69 -8.323 -16.896 2.463 1.00 74.40 H new ATOM 0 HB3 CYS A 69 -6.730 -16.195 2.255 1.00 74.40 H new ATOM 0 HG CYS A 69 -7.482 -14.249 0.680 1.00 74.33 H new ATOM 1111 N ASP A 70 -7.773 -20.035 1.707 1.00 73.23 N ATOM 1112 CA ASP A 70 -8.645 -21.173 1.943 1.00 12.40 C ATOM 1113 C ASP A 70 -8.520 -21.690 3.392 1.00 11.34 C ATOM 1114 O ASP A 70 -7.416 -21.646 3.987 1.00 52.21 O ATOM 1115 CB ASP A 70 -8.365 -22.297 0.934 1.00 65.41 C ATOM 1116 CG ASP A 70 -9.620 -22.729 0.198 1.00 71.41 C ATOM 1117 OD1 ASP A 70 -10.537 -23.288 0.842 1.00 22.32 O ATOM 1118 OD2 ASP A 70 -9.690 -22.494 -1.026 1.00 12.44 O ATOM 0 H ASP A 70 -6.821 -20.154 2.053 1.00 73.23 H new ATOM 0 HA ASP A 70 -9.672 -20.836 1.801 1.00 12.40 H new ATOM 0 HB2 ASP A 70 -7.621 -21.959 0.213 1.00 65.41 H new ATOM 0 HB3 ASP A 70 -7.938 -23.154 1.455 1.00 65.41 H new ATOM 1123 N PHE A 71 -9.644 -22.243 3.901 1.00 62.42 N ATOM 1124 CA PHE A 71 -9.890 -22.550 5.289 1.00 5.20 C ATOM 1125 C PHE A 71 -10.793 -23.783 5.314 1.00 65.54 C ATOM 1126 O PHE A 71 -11.589 -23.953 4.382 1.00 62.53 O ATOM 1127 CB PHE A 71 -10.498 -21.352 6.071 1.00 62.35 C ATOM 1128 CG PHE A 71 -11.888 -20.906 5.659 1.00 45.33 C ATOM 1129 CD1 PHE A 71 -12.072 -20.044 4.580 1.00 54.01 C ATOM 1130 CD2 PHE A 71 -13.010 -21.338 6.361 1.00 71.51 C ATOM 1131 CE1 PHE A 71 -13.333 -19.622 4.218 1.00 23.24 C ATOM 1132 CE2 PHE A 71 -14.275 -20.917 5.995 1.00 54.24 C ATOM 1133 CZ PHE A 71 -14.438 -20.060 4.923 1.00 15.21 C ATOM 0 H PHE A 71 -10.433 -22.492 3.305 1.00 62.42 H new ATOM 0 HA PHE A 71 -8.950 -22.755 5.802 1.00 5.20 H new ATOM 0 HB2 PHE A 71 -10.524 -21.614 7.129 1.00 62.35 H new ATOM 0 HB3 PHE A 71 -9.824 -20.502 5.970 1.00 62.35 H new ATOM 0 HD1 PHE A 71 -11.215 -19.702 4.020 1.00 54.01 H new ATOM 0 HD2 PHE A 71 -12.891 -22.008 7.199 1.00 71.51 H new ATOM 0 HE1 PHE A 71 -13.458 -18.949 3.383 1.00 23.24 H new ATOM 0 HE2 PHE A 71 -15.138 -21.259 6.548 1.00 54.24 H new ATOM 0 HZ PHE A 71 -15.427 -19.733 4.637 1.00 15.21 H new ATOM 1143 N GLU A 72 -10.595 -24.662 6.307 1.00 23.33 N ATOM 1144 CA GLU A 72 -11.437 -25.889 6.501 1.00 61.33 C ATOM 1145 C GLU A 72 -11.229 -26.960 5.383 1.00 34.34 C ATOM 1146 O GLU A 72 -12.116 -27.229 4.568 1.00 12.25 O ATOM 1147 CB GLU A 72 -12.970 -25.510 6.652 1.00 33.05 C ATOM 1148 CG GLU A 72 -13.887 -26.356 7.588 1.00 22.30 C ATOM 1149 CD GLU A 72 -15.285 -26.546 7.018 1.00 60.12 C ATOM 1150 OE1 GLU A 72 -16.036 -25.550 6.940 1.00 70.42 O ATOM 1151 OE2 GLU A 72 -15.649 -27.699 6.693 1.00 53.21 O ATOM 0 H GLU A 72 -9.856 -24.559 7.003 1.00 23.33 H new ATOM 0 HA GLU A 72 -11.100 -26.349 7.430 1.00 61.33 H new ATOM 0 HB2 GLU A 72 -13.018 -24.477 6.997 1.00 33.05 H new ATOM 0 HB3 GLU A 72 -13.411 -25.534 5.656 1.00 33.05 H new ATOM 0 HG2 GLU A 72 -13.430 -27.332 7.754 1.00 22.30 H new ATOM 0 HG3 GLU A 72 -13.958 -25.868 8.560 1.00 22.30 H new ATOM 1158 N GLY A 73 -10.012 -27.525 5.343 1.00 53.42 N ATOM 1159 CA GLY A 73 -9.694 -28.640 4.441 1.00 71.43 C ATOM 1160 C GLY A 73 -8.950 -28.294 3.150 1.00 3.10 C ATOM 1161 O GLY A 73 -8.440 -29.202 2.490 1.00 61.52 O ATOM 0 H GLY A 73 -9.231 -27.226 5.927 1.00 53.42 H new ATOM 0 HA2 GLY A 73 -9.095 -29.364 4.994 1.00 71.43 H new ATOM 0 HA3 GLY A 73 -10.627 -29.136 4.173 1.00 71.43 H new ATOM 1165 N ASN A 74 -8.851 -27.023 2.789 1.00 61.13 N ATOM 1166 CA ASN A 74 -7.725 -26.595 1.917 1.00 10.05 C ATOM 1167 C ASN A 74 -6.940 -25.575 2.721 1.00 72.11 C ATOM 1168 O ASN A 74 -7.520 -24.621 3.217 1.00 21.50 O ATOM 1169 CB ASN A 74 -8.120 -26.074 0.473 1.00 4.33 C ATOM 1170 CG ASN A 74 -9.139 -26.961 -0.219 1.00 61.33 C ATOM 1171 OD1 ASN A 74 -10.345 -26.781 -0.071 1.00 73.31 O ATOM 1172 ND2 ASN A 74 -8.652 -27.928 -0.984 1.00 35.32 N ATOM 0 H ASN A 74 -9.498 -26.284 3.063 1.00 61.13 H new ATOM 0 HA ASN A 74 -7.125 -27.470 1.665 1.00 10.05 H new ATOM 0 HB2 ASN A 74 -8.521 -25.064 0.554 1.00 4.33 H new ATOM 0 HB3 ASN A 74 -7.223 -26.012 -0.143 1.00 4.33 H new ATOM 0 HD21 ASN A 74 -9.286 -28.557 -1.477 1.00 35.32 H new ATOM 0 HD22 ASN A 74 -7.643 -28.043 -1.080 1.00 35.32 H new ATOM 1179 N LYS A 75 -5.640 -25.820 2.956 1.00 65.23 N ATOM 1180 CA LYS A 75 -4.892 -24.932 3.871 1.00 22.14 C ATOM 1181 C LYS A 75 -4.184 -23.828 3.066 1.00 32.43 C ATOM 1182 O LYS A 75 -3.135 -24.123 2.497 1.00 22.51 O ATOM 1183 CB LYS A 75 -3.848 -25.706 4.749 1.00 71.12 C ATOM 1184 CG LYS A 75 -4.192 -25.852 6.252 1.00 65.24 C ATOM 1185 CD LYS A 75 -5.308 -26.875 6.573 1.00 74.41 C ATOM 1186 CE LYS A 75 -6.355 -26.322 7.536 1.00 55.20 C ATOM 1187 NZ LYS A 75 -5.726 -25.788 8.766 1.00 41.54 N ATOM 0 H LYS A 75 -5.103 -26.586 2.549 1.00 65.23 H new ATOM 0 HA LYS A 75 -5.618 -24.490 4.553 1.00 22.14 H new ATOM 0 HB2 LYS A 75 -3.719 -26.703 4.329 1.00 71.12 H new ATOM 0 HB3 LYS A 75 -2.887 -25.199 4.665 1.00 71.12 H new ATOM 0 HG2 LYS A 75 -3.289 -26.142 6.789 1.00 65.24 H new ATOM 0 HG3 LYS A 75 -4.492 -24.877 6.637 1.00 65.24 H new ATOM 0 HD2 LYS A 75 -5.796 -27.177 5.646 1.00 74.41 H new ATOM 0 HD3 LYS A 75 -4.861 -27.771 7.004 1.00 74.41 H new ATOM 0 HE2 LYS A 75 -6.924 -25.533 7.044 1.00 55.20 H new ATOM 0 HE3 LYS A 75 -7.062 -27.109 7.799 1.00 55.20 H new ATOM 0 HZ1 LYS A 75 -6.418 -25.799 9.543 1.00 41.54 H new ATOM 0 HZ2 LYS A 75 -4.909 -26.378 9.022 1.00 41.54 H new ATOM 0 HZ3 LYS A 75 -5.409 -24.812 8.598 1.00 41.54 H new ATOM 1201 N LEU A 76 -4.699 -22.553 3.024 1.00 44.41 N ATOM 1202 CA LEU A 76 -4.044 -21.530 2.141 1.00 12.51 C ATOM 1203 C LEU A 76 -4.539 -20.069 2.370 1.00 51.52 C ATOM 1204 O LEU A 76 -4.917 -19.457 1.412 1.00 15.43 O ATOM 1205 CB LEU A 76 -4.257 -21.871 0.626 1.00 22.52 C ATOM 1206 CG LEU A 76 -3.002 -22.329 -0.119 1.00 64.32 C ATOM 1207 CD1 LEU A 76 -3.377 -23.351 -1.174 1.00 2.14 C ATOM 1208 CD2 LEU A 76 -2.297 -21.143 -0.771 1.00 73.14 C ATOM 0 H LEU A 76 -5.508 -22.227 3.552 1.00 44.41 H new ATOM 0 HA LEU A 76 -2.990 -21.575 2.416 1.00 12.51 H new ATOM 0 HB2 LEU A 76 -5.012 -22.653 0.548 1.00 22.52 H new ATOM 0 HB3 LEU A 76 -4.657 -20.990 0.124 1.00 22.52 H new ATOM 0 HG LEU A 76 -2.319 -22.783 0.599 1.00 64.32 H new ATOM 0 HD11 LEU A 76 -2.480 -23.674 -1.702 1.00 2.14 H new ATOM 0 HD12 LEU A 76 -3.847 -24.211 -0.697 1.00 2.14 H new ATOM 0 HD13 LEU A 76 -4.074 -22.903 -1.883 1.00 2.14 H new ATOM 0 HD21 LEU A 76 -1.407 -21.492 -1.295 1.00 73.14 H new ATOM 0 HD22 LEU A 76 -2.972 -20.664 -1.480 1.00 73.14 H new ATOM 0 HD23 LEU A 76 -2.008 -20.425 -0.004 1.00 73.14 H new ATOM 1220 N ARG A 77 -4.441 -19.454 3.569 1.00 10.33 N ATOM 1221 CA ARG A 77 -5.090 -18.144 3.841 1.00 64.14 C ATOM 1222 C ARG A 77 -4.097 -16.974 3.505 1.00 61.23 C ATOM 1223 O ARG A 77 -3.080 -16.816 4.168 1.00 13.50 O ATOM 1224 CB ARG A 77 -5.516 -18.118 5.354 1.00 21.52 C ATOM 1225 CG ARG A 77 -5.612 -16.732 6.054 1.00 33.32 C ATOM 1226 CD ARG A 77 -6.736 -15.827 5.550 1.00 44.35 C ATOM 1227 NE ARG A 77 -8.054 -16.467 5.622 1.00 64.45 N ATOM 1228 CZ ARG A 77 -9.041 -16.102 6.456 1.00 24.13 C ATOM 1229 NH1 ARG A 77 -8.875 -15.101 7.317 1.00 30.25 N ATOM 1230 NH2 ARG A 77 -10.205 -16.732 6.409 1.00 45.20 N ATOM 0 H ARG A 77 -3.924 -19.837 4.361 1.00 10.33 H new ATOM 0 HA ARG A 77 -5.973 -18.012 3.215 1.00 64.14 H new ATOM 0 HB2 ARG A 77 -6.488 -18.604 5.437 1.00 21.52 H new ATOM 0 HB3 ARG A 77 -4.806 -18.728 5.913 1.00 21.52 H new ATOM 0 HG2 ARG A 77 -5.747 -16.891 7.124 1.00 33.32 H new ATOM 0 HG3 ARG A 77 -4.663 -16.212 5.927 1.00 33.32 H new ATOM 0 HD2 ARG A 77 -6.750 -14.910 6.138 1.00 44.35 H new ATOM 0 HD3 ARG A 77 -6.532 -15.541 4.518 1.00 44.35 H new ATOM 0 HE ARG A 77 -8.234 -17.248 4.991 1.00 64.45 H new ATOM 0 HH11 ARG A 77 -7.988 -14.599 7.350 1.00 30.25 H new ATOM 0 HH12 ARG A 77 -9.635 -14.836 7.944 1.00 30.25 H new ATOM 0 HH21 ARG A 77 -10.348 -17.490 5.742 1.00 45.20 H new ATOM 0 HH22 ARG A 77 -10.958 -16.459 7.040 1.00 45.20 H new ATOM 1244 N VAL A 78 -4.366 -16.155 2.458 1.00 2.51 N ATOM 1245 CA VAL A 78 -3.523 -14.965 2.198 1.00 73.12 C ATOM 1246 C VAL A 78 -4.415 -13.697 2.277 1.00 22.11 C ATOM 1247 O VAL A 78 -5.380 -13.596 1.520 1.00 14.42 O ATOM 1248 CB VAL A 78 -2.765 -15.018 0.802 1.00 53.23 C ATOM 1249 CG1 VAL A 78 -1.456 -14.276 0.909 1.00 53.25 C ATOM 1250 CG2 VAL A 78 -2.479 -16.439 0.311 1.00 50.33 C ATOM 0 H VAL A 78 -5.134 -16.290 1.800 1.00 2.51 H new ATOM 0 HA VAL A 78 -2.744 -14.942 2.960 1.00 73.12 H new ATOM 0 HB VAL A 78 -3.432 -14.552 0.076 1.00 53.23 H new ATOM 0 HG11 VAL A 78 -0.937 -14.313 -0.049 1.00 53.25 H new ATOM 0 HG12 VAL A 78 -1.648 -13.237 1.178 1.00 53.25 H new ATOM 0 HG13 VAL A 78 -0.836 -14.741 1.676 1.00 53.25 H new ATOM 0 HG21 VAL A 78 -1.960 -16.396 -0.647 1.00 50.33 H new ATOM 0 HG22 VAL A 78 -1.854 -16.957 1.039 1.00 50.33 H new ATOM 0 HG23 VAL A 78 -3.419 -16.978 0.190 1.00 50.33 H new ATOM 1260 N GLU A 79 -4.114 -12.714 3.169 1.00 45.30 N ATOM 1261 CA GLU A 79 -5.096 -11.660 3.485 1.00 3.34 C ATOM 1262 C GLU A 79 -4.389 -10.324 3.776 1.00 22.21 C ATOM 1263 O GLU A 79 -3.400 -10.288 4.514 1.00 55.34 O ATOM 1264 CB GLU A 79 -5.908 -12.230 4.688 1.00 13.10 C ATOM 1265 CG GLU A 79 -6.677 -11.292 5.643 1.00 31.31 C ATOM 1266 CD GLU A 79 -7.565 -12.094 6.569 1.00 2.11 C ATOM 1267 OE1 GLU A 79 -7.034 -12.704 7.524 1.00 61.03 O ATOM 1268 OE2 GLU A 79 -8.787 -12.140 6.328 1.00 54.20 O ATOM 0 H GLU A 79 -3.226 -12.636 3.664 1.00 45.30 H new ATOM 0 HA GLU A 79 -5.766 -11.425 2.658 1.00 3.34 H new ATOM 0 HB2 GLU A 79 -6.633 -12.934 4.279 1.00 13.10 H new ATOM 0 HB3 GLU A 79 -5.213 -12.807 5.298 1.00 13.10 H new ATOM 0 HG2 GLU A 79 -5.972 -10.700 6.227 1.00 31.31 H new ATOM 0 HG3 GLU A 79 -7.281 -10.591 5.066 1.00 31.31 H new ATOM 1275 N VAL A 80 -4.866 -9.219 3.167 1.00 73.34 N ATOM 1276 CA VAL A 80 -4.426 -7.903 3.607 1.00 1.24 C ATOM 1277 C VAL A 80 -5.326 -7.350 4.714 1.00 13.34 C ATOM 1278 O VAL A 80 -6.549 -7.275 4.560 1.00 40.13 O ATOM 1279 CB VAL A 80 -4.302 -6.876 2.444 1.00 51.23 C ATOM 1280 CG1 VAL A 80 -3.090 -7.186 1.602 1.00 4.23 C ATOM 1281 CG2 VAL A 80 -5.533 -6.827 1.545 1.00 34.50 C ATOM 0 H VAL A 80 -5.533 -9.220 2.396 1.00 73.34 H new ATOM 0 HA VAL A 80 -3.424 -8.048 4.010 1.00 1.24 H new ATOM 0 HB VAL A 80 -4.204 -5.898 2.914 1.00 51.23 H new ATOM 0 HG11 VAL A 80 -3.014 -6.461 0.792 1.00 4.23 H new ATOM 0 HG12 VAL A 80 -2.194 -7.134 2.221 1.00 4.23 H new ATOM 0 HG13 VAL A 80 -3.184 -8.188 1.184 1.00 4.23 H new ATOM 0 HG21 VAL A 80 -5.378 -6.091 0.756 1.00 34.50 H new ATOM 0 HG22 VAL A 80 -5.697 -7.808 1.099 1.00 34.50 H new ATOM 0 HG23 VAL A 80 -6.405 -6.547 2.137 1.00 34.50 H new ATOM 1291 N PRO A 81 -4.736 -6.983 5.868 1.00 60.13 N ATOM 1292 CA PRO A 81 -5.424 -6.186 6.883 1.00 41.45 C ATOM 1293 C PRO A 81 -5.251 -4.663 6.696 1.00 3.54 C ATOM 1294 O PRO A 81 -5.502 -3.892 7.627 1.00 72.34 O ATOM 1295 CB PRO A 81 -4.762 -6.665 8.179 1.00 51.55 C ATOM 1296 CG PRO A 81 -3.368 -7.025 7.795 1.00 32.32 C ATOM 1297 CD PRO A 81 -3.411 -7.434 6.345 1.00 71.51 C ATOM 0 HA PRO A 81 -6.505 -6.323 6.850 1.00 41.45 H new ATOM 0 HB2 PRO A 81 -4.772 -5.883 8.939 1.00 51.55 H new ATOM 0 HB3 PRO A 81 -5.289 -7.522 8.597 1.00 51.55 H new ATOM 0 HG2 PRO A 81 -2.696 -6.179 7.939 1.00 32.32 H new ATOM 0 HG3 PRO A 81 -2.993 -7.839 8.416 1.00 32.32 H new ATOM 0 HD2 PRO A 81 -2.606 -6.967 5.778 1.00 71.51 H new ATOM 0 HD3 PRO A 81 -3.296 -8.512 6.234 1.00 71.51 H new ATOM 1305 N PHE A 82 -4.828 -4.224 5.494 1.00 51.32 N ATOM 1306 CA PHE A 82 -4.725 -2.785 5.213 1.00 51.34 C ATOM 1307 C PHE A 82 -5.779 -2.319 4.195 1.00 41.20 C ATOM 1308 O PHE A 82 -6.227 -1.173 4.269 1.00 25.23 O ATOM 1309 CB PHE A 82 -3.293 -2.327 4.775 1.00 4.14 C ATOM 1310 CG PHE A 82 -2.615 -3.068 3.627 1.00 1.41 C ATOM 1311 CD1 PHE A 82 -3.088 -2.995 2.326 1.00 10.23 C ATOM 1312 CD2 PHE A 82 -1.465 -3.781 3.854 1.00 43.44 C ATOM 1313 CE1 PHE A 82 -2.433 -3.619 1.292 1.00 11.44 C ATOM 1314 CE2 PHE A 82 -0.805 -4.416 2.835 1.00 52.11 C ATOM 1315 CZ PHE A 82 -1.281 -4.337 1.547 1.00 61.03 C ATOM 0 H PHE A 82 -4.559 -4.832 4.721 1.00 51.32 H new ATOM 0 HA PHE A 82 -4.927 -2.298 6.167 1.00 51.34 H new ATOM 0 HB2 PHE A 82 -3.350 -1.273 4.502 1.00 4.14 H new ATOM 0 HB3 PHE A 82 -2.641 -2.396 5.646 1.00 4.14 H new ATOM 0 HD1 PHE A 82 -3.989 -2.436 2.121 1.00 10.23 H new ATOM 0 HD2 PHE A 82 -1.071 -3.843 4.858 1.00 43.44 H new ATOM 0 HE1 PHE A 82 -2.817 -3.548 0.285 1.00 11.44 H new ATOM 0 HE2 PHE A 82 0.092 -4.980 3.044 1.00 52.11 H new ATOM 0 HZ PHE A 82 -0.758 -4.832 0.742 1.00 61.03 H new ATOM 1325 N ASN A 83 -6.141 -3.225 3.255 1.00 15.42 N ATOM 1326 CA ASN A 83 -7.101 -2.952 2.134 1.00 23.12 C ATOM 1327 C ASN A 83 -6.578 -1.777 1.228 1.00 73.33 C ATOM 1328 O ASN A 83 -7.083 -0.654 1.336 1.00 11.11 O ATOM 1329 CB ASN A 83 -8.551 -2.642 2.668 1.00 41.14 C ATOM 1330 CG ASN A 83 -9.625 -2.668 1.589 1.00 2.12 C ATOM 1331 OD1 ASN A 83 -10.195 -3.713 1.289 1.00 1.20 O ATOM 1332 ND2 ASN A 83 -9.927 -1.511 1.024 1.00 64.15 N ATOM 0 H ASN A 83 -5.777 -4.178 3.245 1.00 15.42 H new ATOM 0 HA ASN A 83 -7.163 -3.856 1.529 1.00 23.12 H new ATOM 0 HB2 ASN A 83 -8.807 -3.369 3.439 1.00 41.14 H new ATOM 0 HB3 ASN A 83 -8.551 -1.661 3.143 1.00 41.14 H new ATOM 0 HD21 ASN A 83 -10.656 -1.466 0.312 1.00 64.15 H new ATOM 0 HD22 ASN A 83 -9.431 -0.664 1.300 1.00 64.15 H new