USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1067 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 4 SER OG : rot 28:sc= 1.07 USER MOD Set 1.2: A 130 LYS NZ :NH3+ 166:sc= 1.19 (180deg=0) USER MOD Set 2.1: A 115 GLN : amide:sc= -1.57 K(o=-1.9,f=-4.3!) USER MOD Set 2.2: A 117 TYR OH : rot 180:sc= -0.3 USER MOD Set 3.1: A 98 ASN : amide:sc= 1.06 K(o=0.24,f=-2.8) USER MOD Set 3.2: A 100 ASN : amide:sc= -0.82! C(o=0.24!,f=-5.4!) USER MOD Single : A 0 GLN : amide:sc= -0.071 X(o=-0.071,f=0) USER MOD Single : A 0 GLN N :NH3+ -109:sc= 0.0538 (180deg=-0.059) USER MOD Single : A 5 THR OG1 : rot 180:sc= -2.19! USER MOD Single : A 7 LYS NZ :NH3+ -117:sc= 1.19 (180deg=-0.123) USER MOD Single : A 11 SER OG : rot -160:sc= -1.03 USER MOD Single : A 13 ASN : amide:sc= -6.98! K(o=-7!,f=-0.91) USER MOD Single : A 14 TYR OH : rot 140:sc= 0.357 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -126:sc= -1.43 (180deg=-5.1!) USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= 0.767 (180deg=0.557) USER MOD Single : A 21 MET CE :methyl 149:sc= -6.4! (180deg=-8.05!) USER MOD Single : A 24 ASN : amide:sc= -1.51 K(o=-1.5,f=-0.34) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -137:sc= -0.39 (180deg=-1.43!) USER MOD Single : A 33 HIS : no HD1:sc= -0.808 K(o=-0.81,f=0.23) USER MOD Single : A 35 ASN : amide:sc= 0.0964 X(o=0.096,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 161:sc= 1.1 (180deg=-0.29!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 35:sc= 0.476 USER MOD Single : A 42 GLN : amide:sc= -0.816 X(o=-0.82,f=-1.2) USER MOD Single : A 45 ASN : amide:sc= -0.497 K(o=-0.5,f=-1.1) USER MOD Single : A 46 LYS NZ :NH3+ 140:sc= 1.1 (180deg=0.228) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 50 LYS NZ :NH3+ -156:sc= 0.603 (180deg=0.285) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -27:sc= 1.11 USER MOD Single : A 57 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -2.64! C(o=-2.6!,f=-7.3!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.672 X(o=-0.67,f=-0.56) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -72:sc= -3.55! USER MOD Single : A 83 SER OG : rot -170:sc= -0.198 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -121:sc= 0.729 (180deg=-0.556) USER MOD Single : A 92 LYS NZ :NH3+ -151:sc= 1.26 (180deg=0.415) USER MOD Single : A 94 LYS NZ :NH3+ -141:sc= -0.869! (180deg=-3!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.2) USER MOD Single : A 104 THR OG1 : rot 68:sc= 1.24 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -128:sc= -0.0352 (180deg=-0.283) USER MOD Single : A 129 LYS NZ :NH3+ -99:sc= 0.92 (180deg=-0.91) USER MOD ----------------------------------------------------------------- ATOM 152 N GLN A 0 -16.153 -2.268 -2.690 1.00 60.44 N ATOM 153 CA GLN A 0 -14.738 -2.020 -3.042 1.00 61.24 C ATOM 154 C GLN A 0 -14.002 -3.315 -3.423 1.00 12.20 C ATOM 155 O GLN A 0 -14.514 -4.419 -3.222 1.00 22.10 O ATOM 156 CB GLN A 0 -13.993 -1.337 -1.883 1.00 71.13 C ATOM 157 CG GLN A 0 -14.428 0.102 -1.630 1.00 5.53 C ATOM 158 CD GLN A 0 -14.592 0.413 -0.155 1.00 15.54 C ATOM 159 OE1 GLN A 0 -15.701 0.668 0.319 1.00 60.43 O ATOM 160 NE2 GLN A 0 -13.484 0.393 0.578 1.00 54.33 N ATOM 0 H1 GLN A 0 -16.768 -1.891 -3.439 1.00 60.44 H new ATOM 0 H2 GLN A 0 -16.312 -3.291 -2.593 1.00 60.44 H new ATOM 0 H3 GLN A 0 -16.375 -1.796 -1.790 1.00 60.44 H new ATOM 0 HA GLN A 0 -14.746 -1.360 -3.910 1.00 61.24 H new ATOM 0 HB2 GLN A 0 -14.147 -1.918 -0.973 1.00 71.13 H new ATOM 0 HB3 GLN A 0 -12.924 -1.351 -2.093 1.00 71.13 H new ATOM 0 HG2 GLN A 0 -13.692 0.781 -2.061 1.00 5.53 H new ATOM 0 HG3 GLN A 0 -15.371 0.288 -2.143 1.00 5.53 H new ATOM 0 HE21 GLN A 0 -12.588 0.177 0.142 1.00 54.33 H new ATOM 0 HE22 GLN A 0 -13.530 0.594 1.577 1.00 54.33 H new ATOM 169 N ALA A 1 -12.792 -3.161 -3.982 1.00 1.21 N ATOM 170 CA ALA A 1 -11.967 -4.302 -4.404 1.00 51.03 C ATOM 171 C ALA A 1 -10.722 -4.477 -3.532 1.00 53.42 C ATOM 172 O ALA A 1 -10.405 -5.589 -3.107 1.00 62.43 O ATOM 173 CB ALA A 1 -11.542 -4.147 -5.862 1.00 43.55 C ATOM 0 H ALA A 1 -12.362 -2.252 -4.153 1.00 1.21 H new ATOM 0 HA ALA A 1 -12.586 -5.192 -4.290 1.00 51.03 H new ATOM 0 HB1 ALA A 1 -10.932 -5.001 -6.156 1.00 43.55 H new ATOM 0 HB2 ALA A 1 -12.427 -4.098 -6.496 1.00 43.55 H new ATOM 0 HB3 ALA A 1 -10.963 -3.231 -5.977 1.00 43.55 H new ATOM 179 N PHE A 2 -10.000 -3.376 -3.306 1.00 12.32 N ATOM 180 CA PHE A 2 -8.757 -3.400 -2.524 1.00 61.12 C ATOM 181 C PHE A 2 -8.968 -3.833 -1.070 1.00 42.03 C ATOM 182 O PHE A 2 -8.059 -4.404 -0.466 1.00 2.02 O ATOM 183 CB PHE A 2 -8.082 -2.025 -2.557 1.00 20.43 C ATOM 184 CG PHE A 2 -7.532 -1.656 -3.908 1.00 25.30 C ATOM 185 CD1 PHE A 2 -6.241 -2.009 -4.265 1.00 43.11 C ATOM 186 CD2 PHE A 2 -8.307 -0.956 -4.821 1.00 54.23 C ATOM 187 CE1 PHE A 2 -5.733 -1.673 -5.506 1.00 23.22 C ATOM 188 CE2 PHE A 2 -7.804 -0.617 -6.063 1.00 4.22 C ATOM 189 CZ PHE A 2 -6.515 -0.976 -6.406 1.00 35.41 C ATOM 0 H PHE A 2 -10.255 -2.452 -3.655 1.00 12.32 H new ATOM 0 HA PHE A 2 -8.114 -4.146 -2.991 1.00 61.12 H new ATOM 0 HB2 PHE A 2 -8.803 -1.268 -2.249 1.00 20.43 H new ATOM 0 HB3 PHE A 2 -7.272 -2.010 -1.828 1.00 20.43 H new ATOM 0 HD1 PHE A 2 -5.624 -2.553 -3.565 1.00 43.11 H new ATOM 0 HD2 PHE A 2 -9.315 -0.672 -4.558 1.00 54.23 H new ATOM 0 HE1 PHE A 2 -4.725 -1.955 -5.772 1.00 23.22 H new ATOM 0 HE2 PHE A 2 -8.418 -0.072 -6.765 1.00 4.22 H new ATOM 0 HZ PHE A 2 -6.120 -0.712 -7.376 1.00 35.41 H new ATOM 199 N ASP A 3 -10.148 -3.549 -0.509 1.00 52.44 N ATOM 200 CA ASP A 3 -10.449 -3.904 0.885 1.00 71.12 C ATOM 201 C ASP A 3 -10.490 -5.422 1.080 1.00 12.10 C ATOM 202 O ASP A 3 -11.563 -6.022 1.171 1.00 13.51 O ATOM 203 CB ASP A 3 -11.775 -3.278 1.313 1.00 72.23 C ATOM 204 CG ASP A 3 -11.611 -1.846 1.796 1.00 2.24 C ATOM 205 OD1 ASP A 3 -10.888 -1.069 1.133 1.00 42.25 O ATOM 206 OD2 ASP A 3 -12.204 -1.502 2.840 1.00 51.42 O ATOM 0 H ASP A 3 -10.909 -3.076 -0.996 1.00 52.44 H new ATOM 0 HA ASP A 3 -9.649 -3.510 1.512 1.00 71.12 H new ATOM 0 HB2 ASP A 3 -12.471 -3.298 0.474 1.00 72.23 H new ATOM 0 HB3 ASP A 3 -12.217 -3.878 2.108 1.00 72.23 H new ATOM 211 N SER A 4 -9.310 -6.035 1.127 1.00 65.31 N ATOM 212 CA SER A 4 -9.193 -7.484 1.296 1.00 13.01 C ATOM 213 C SER A 4 -7.946 -7.859 2.104 1.00 4.51 C ATOM 214 O SER A 4 -7.236 -6.990 2.614 1.00 13.23 O ATOM 215 CB SER A 4 -9.154 -8.161 -0.080 1.00 23.22 C ATOM 216 OG SER A 4 -10.462 -8.432 -0.559 1.00 34.23 O ATOM 0 H SER A 4 -8.416 -5.550 1.050 1.00 65.31 H new ATOM 0 HA SER A 4 -10.063 -7.833 1.852 1.00 13.01 H new ATOM 0 HB2 SER A 4 -8.631 -7.519 -0.789 1.00 23.22 H new ATOM 0 HB3 SER A 4 -8.589 -9.091 -0.014 1.00 23.22 H new ATOM 0 HG SER A 4 -11.091 -7.784 -0.178 1.00 34.23 H new ATOM 222 N THR A 5 -7.674 -9.162 2.188 1.00 11.40 N ATOM 223 CA THR A 5 -6.503 -9.670 2.897 1.00 54.54 C ATOM 224 C THR A 5 -5.602 -10.422 1.922 1.00 53.03 C ATOM 225 O THR A 5 -5.882 -11.569 1.575 1.00 21.32 O ATOM 226 CB THR A 5 -6.926 -10.596 4.045 1.00 4.00 C ATOM 227 OG1 THR A 5 -7.709 -9.893 4.995 1.00 55.32 O ATOM 228 CG2 THR A 5 -5.756 -11.217 4.783 1.00 64.44 C ATOM 0 H THR A 5 -8.255 -9.888 1.770 1.00 11.40 H new ATOM 0 HA THR A 5 -5.955 -8.828 3.320 1.00 54.54 H new ATOM 0 HB THR A 5 -7.499 -11.394 3.572 1.00 4.00 H new ATOM 0 HG1 THR A 5 -7.970 -10.501 5.718 1.00 55.32 H new ATOM 0 HG21 THR A 5 -6.129 -11.859 5.581 1.00 64.44 H new ATOM 0 HG22 THR A 5 -5.161 -11.810 4.088 1.00 64.44 H new ATOM 0 HG23 THR A 5 -5.136 -10.429 5.211 1.00 64.44 H new ATOM 236 N TRP A 6 -4.525 -9.775 1.474 1.00 12.00 N ATOM 237 CA TRP A 6 -3.597 -10.399 0.533 1.00 43.53 C ATOM 238 C TRP A 6 -2.226 -10.610 1.176 1.00 40.31 C ATOM 239 O TRP A 6 -1.647 -9.688 1.750 1.00 40.14 O ATOM 240 CB TRP A 6 -3.458 -9.576 -0.766 1.00 43.22 C ATOM 241 CG TRP A 6 -4.593 -8.634 -1.052 1.00 0.41 C ATOM 242 CD1 TRP A 6 -5.048 -7.594 -0.287 1.00 72.24 C ATOM 243 CD2 TRP A 6 -5.400 -8.652 -2.219 1.00 1.31 C ATOM 244 NE1 TRP A 6 -6.112 -6.984 -0.913 1.00 3.32 N ATOM 245 CE2 TRP A 6 -6.344 -7.619 -2.106 1.00 51.03 C ATOM 246 CE3 TRP A 6 -5.408 -9.458 -3.345 1.00 31.30 C ATOM 247 CZ2 TRP A 6 -7.297 -7.373 -3.092 1.00 20.11 C ATOM 248 CZ3 TRP A 6 -6.349 -9.222 -4.329 1.00 20.32 C ATOM 249 CH2 TRP A 6 -7.285 -8.186 -4.197 1.00 71.32 C ATOM 0 H TRP A 6 -4.276 -8.824 1.746 1.00 12.00 H new ATOM 0 HA TRP A 6 -4.013 -11.371 0.269 1.00 43.53 H new ATOM 0 HB2 TRP A 6 -2.534 -9.001 -0.715 1.00 43.22 H new ATOM 0 HB3 TRP A 6 -3.359 -10.265 -1.605 1.00 43.22 H new ATOM 0 HD1 TRP A 6 -4.634 -7.296 0.665 1.00 72.24 H new ATOM 0 HE1 TRP A 6 -6.640 -6.191 -0.549 1.00 3.32 H new ATOM 0 HE3 TRP A 6 -4.690 -10.258 -3.452 1.00 31.30 H new ATOM 0 HZ2 TRP A 6 -8.017 -6.574 -2.991 1.00 20.11 H new ATOM 0 HZ3 TRP A 6 -6.364 -9.844 -5.212 1.00 20.32 H new ATOM 0 HH2 TRP A 6 -8.011 -8.025 -4.981 1.00 71.32 H new ATOM 260 N LYS A 7 -1.719 -11.839 1.072 1.00 60.22 N ATOM 261 CA LYS A 7 -0.419 -12.209 1.632 1.00 24.32 C ATOM 262 C LYS A 7 0.639 -12.274 0.537 1.00 55.24 C ATOM 263 O LYS A 7 0.317 -12.524 -0.628 1.00 63.54 O ATOM 264 CB LYS A 7 -0.529 -13.565 2.347 1.00 64.51 C ATOM 265 CG LYS A 7 -0.606 -14.763 1.405 1.00 73.52 C ATOM 266 CD LYS A 7 0.059 -15.994 2.008 1.00 63.34 C ATOM 267 CE LYS A 7 1.056 -16.626 1.046 1.00 44.11 C ATOM 268 NZ LYS A 7 2.470 -16.383 1.456 1.00 63.22 N ATOM 0 H LYS A 7 -2.197 -12.605 0.598 1.00 60.22 H new ATOM 0 HA LYS A 7 -0.118 -11.448 2.352 1.00 24.32 H new ATOM 0 HB2 LYS A 7 0.332 -13.688 3.004 1.00 64.51 H new ATOM 0 HB3 LYS A 7 -1.415 -13.558 2.981 1.00 64.51 H new ATOM 0 HG2 LYS A 7 -1.650 -14.985 1.182 1.00 73.52 H new ATOM 0 HG3 LYS A 7 -0.124 -14.515 0.459 1.00 73.52 H new ATOM 0 HD2 LYS A 7 0.570 -15.716 2.930 1.00 63.34 H new ATOM 0 HD3 LYS A 7 -0.704 -16.726 2.274 1.00 63.34 H new ATOM 0 HE2 LYS A 7 0.875 -17.700 0.992 1.00 44.11 H new ATOM 0 HE3 LYS A 7 0.896 -16.225 0.045 1.00 44.11 H new ATOM 0 HZ1 LYS A 7 2.952 -15.821 0.726 1.00 63.22 H new ATOM 0 HZ2 LYS A 7 2.486 -15.865 2.358 1.00 63.22 H new ATOM 0 HZ3 LYS A 7 2.960 -17.293 1.571 1.00 63.22 H new ATOM 282 N VAL A 8 1.903 -12.054 0.911 1.00 72.24 N ATOM 283 CA VAL A 8 2.990 -12.102 -0.057 1.00 61.43 C ATOM 284 C VAL A 8 2.996 -13.435 -0.776 1.00 22.33 C ATOM 285 O VAL A 8 3.309 -14.475 -0.190 1.00 12.22 O ATOM 286 CB VAL A 8 4.379 -11.887 0.582 1.00 12.31 C ATOM 287 CG1 VAL A 8 5.482 -12.453 -0.307 1.00 15.10 C ATOM 288 CG2 VAL A 8 4.643 -10.424 0.813 1.00 1.21 C ATOM 0 H VAL A 8 2.191 -11.844 1.867 1.00 72.24 H new ATOM 0 HA VAL A 8 2.808 -11.284 -0.754 1.00 61.43 H new ATOM 0 HB VAL A 8 4.380 -12.411 1.538 1.00 12.31 H new ATOM 0 HG11 VAL A 8 6.450 -12.289 0.166 1.00 15.10 H new ATOM 0 HG12 VAL A 8 5.323 -13.522 -0.447 1.00 15.10 H new ATOM 0 HG13 VAL A 8 5.461 -11.953 -1.275 1.00 15.10 H new ATOM 0 HG21 VAL A 8 5.627 -10.299 1.264 1.00 1.21 H new ATOM 0 HG22 VAL A 8 4.609 -9.894 -0.139 1.00 1.21 H new ATOM 0 HG23 VAL A 8 3.884 -10.018 1.481 1.00 1.21 H new ATOM 298 N ASP A 9 2.663 -13.394 -2.047 1.00 13.03 N ATOM 299 CA ASP A 9 2.642 -14.586 -2.863 1.00 45.52 C ATOM 300 C ASP A 9 3.838 -14.601 -3.804 1.00 52.21 C ATOM 301 O ASP A 9 4.217 -15.656 -4.317 1.00 1.15 O ATOM 302 CB ASP A 9 1.335 -14.653 -3.636 1.00 72.11 C ATOM 303 CG ASP A 9 0.439 -15.763 -3.127 1.00 25.33 C ATOM 304 OD1 ASP A 9 0.013 -15.689 -1.956 1.00 3.20 O ATOM 305 OD2 ASP A 9 0.171 -16.711 -3.893 1.00 43.25 O ATOM 0 H ASP A 9 2.401 -12.540 -2.540 1.00 13.03 H new ATOM 0 HA ASP A 9 2.710 -15.465 -2.222 1.00 45.52 H new ATOM 0 HB2 ASP A 9 0.815 -13.699 -3.554 1.00 72.11 H new ATOM 0 HB3 ASP A 9 1.546 -14.811 -4.694 1.00 72.11 H new ATOM 310 N ARG A 10 4.435 -13.421 -4.022 1.00 71.31 N ATOM 311 CA ARG A 10 5.591 -13.302 -4.895 1.00 41.02 C ATOM 312 C ARG A 10 6.130 -11.876 -4.927 1.00 34.12 C ATOM 313 O ARG A 10 5.519 -10.951 -4.388 1.00 0.20 O ATOM 314 CB ARG A 10 5.217 -13.732 -6.310 1.00 41.02 C ATOM 315 CG ARG A 10 4.000 -12.995 -6.844 1.00 34.10 C ATOM 316 CD ARG A 10 3.115 -13.907 -7.668 1.00 23.53 C ATOM 317 NE ARG A 10 3.681 -14.145 -8.994 1.00 62.43 N ATOM 318 CZ ARG A 10 3.808 -15.349 -9.558 1.00 74.41 C ATOM 319 NH1 ARG A 10 3.445 -16.452 -8.905 1.00 40.23 N ATOM 320 NH2 ARG A 10 4.316 -15.452 -10.781 1.00 71.31 N ATOM 0 H ARG A 10 4.131 -12.542 -3.603 1.00 71.31 H new ATOM 0 HA ARG A 10 6.372 -13.952 -4.499 1.00 41.02 H new ATOM 0 HB2 ARG A 10 6.063 -13.557 -6.974 1.00 41.02 H new ATOM 0 HB3 ARG A 10 5.021 -14.804 -6.320 1.00 41.02 H new ATOM 0 HG2 ARG A 10 3.427 -12.586 -6.012 1.00 34.10 H new ATOM 0 HG3 ARG A 10 4.323 -12.152 -7.454 1.00 34.10 H new ATOM 0 HD2 ARG A 10 2.987 -14.857 -7.150 1.00 23.53 H new ATOM 0 HD3 ARG A 10 2.125 -13.462 -7.768 1.00 23.53 H new ATOM 0 HE ARG A 10 4.001 -13.336 -9.526 1.00 62.43 H new ATOM 0 HH11 ARG A 10 3.064 -16.384 -7.961 1.00 40.23 H new ATOM 0 HH12 ARG A 10 3.548 -17.365 -9.349 1.00 40.23 H new ATOM 0 HH21 ARG A 10 4.607 -14.614 -11.285 1.00 71.31 H new ATOM 0 HH22 ARG A 10 4.415 -16.369 -11.216 1.00 71.31 H new ATOM 334 N SER A 11 7.276 -11.713 -5.583 1.00 53.11 N ATOM 335 CA SER A 11 7.914 -10.412 -5.725 1.00 4.00 C ATOM 336 C SER A 11 8.762 -10.381 -6.990 1.00 54.52 C ATOM 337 O SER A 11 9.027 -11.425 -7.594 1.00 54.02 O ATOM 338 CB SER A 11 8.784 -10.090 -4.507 1.00 44.14 C ATOM 339 OG SER A 11 8.436 -8.837 -3.947 1.00 42.23 O ATOM 0 H SER A 11 7.785 -12.477 -6.028 1.00 53.11 H new ATOM 0 HA SER A 11 7.131 -9.657 -5.796 1.00 4.00 H new ATOM 0 HB2 SER A 11 8.667 -10.872 -3.756 1.00 44.14 H new ATOM 0 HB3 SER A 11 9.834 -10.082 -4.799 1.00 44.14 H new ATOM 0 HG SER A 11 9.177 -8.508 -3.397 1.00 42.23 H new ATOM 345 N GLU A 12 9.180 -9.186 -7.392 1.00 12.23 N ATOM 346 CA GLU A 12 9.989 -9.025 -8.592 1.00 60.12 C ATOM 347 C GLU A 12 11.038 -7.935 -8.414 1.00 60.42 C ATOM 348 O GLU A 12 10.711 -6.791 -8.092 1.00 61.43 O ATOM 349 CB GLU A 12 9.097 -8.691 -9.785 1.00 64.25 C ATOM 350 CG GLU A 12 8.104 -9.790 -10.125 1.00 53.14 C ATOM 351 CD GLU A 12 6.726 -9.262 -10.484 1.00 60.25 C ATOM 352 OE1 GLU A 12 6.248 -8.325 -9.809 1.00 22.13 O ATOM 353 OE2 GLU A 12 6.118 -9.794 -11.434 1.00 0.03 O ATOM 0 H GLU A 12 8.971 -8.315 -6.904 1.00 12.23 H new ATOM 0 HA GLU A 12 10.505 -9.968 -8.774 1.00 60.12 H new ATOM 0 HB2 GLU A 12 8.551 -7.771 -9.574 1.00 64.25 H new ATOM 0 HB3 GLU A 12 9.725 -8.497 -10.655 1.00 64.25 H new ATOM 0 HG2 GLU A 12 8.491 -10.374 -10.960 1.00 53.14 H new ATOM 0 HG3 GLU A 12 8.016 -10.467 -9.275 1.00 53.14 H new ATOM 360 N ASN A 13 12.296 -8.306 -8.642 1.00 31.20 N ATOM 361 CA ASN A 13 13.426 -7.378 -8.533 1.00 42.23 C ATOM 362 C ASN A 13 13.746 -6.987 -7.081 1.00 61.22 C ATOM 363 O ASN A 13 14.655 -6.190 -6.843 1.00 22.31 O ATOM 364 CB ASN A 13 13.153 -6.116 -9.359 1.00 75.24 C ATOM 365 CG ASN A 13 14.420 -5.350 -9.674 1.00 53.02 C ATOM 366 OD1 ASN A 13 15.057 -5.574 -10.704 1.00 53.23 O ATOM 367 ND2 ASN A 13 14.794 -4.439 -8.787 1.00 4.24 N ATOM 0 H ASN A 13 12.563 -9.254 -8.907 1.00 31.20 H new ATOM 0 HA ASN A 13 14.299 -7.902 -8.923 1.00 42.23 H new ATOM 0 HB2 ASN A 13 12.658 -6.394 -10.290 1.00 75.24 H new ATOM 0 HB3 ASN A 13 12.466 -5.469 -8.813 1.00 75.24 H new ATOM 0 HD21 ASN A 13 15.640 -3.891 -8.945 1.00 4.24 H new ATOM 0 HD22 ASN A 13 14.236 -4.286 -7.947 1.00 4.24 H new ATOM 374 N TYR A 14 13.017 -7.546 -6.109 1.00 43.02 N ATOM 375 CA TYR A 14 13.260 -7.232 -4.701 1.00 4.22 C ATOM 376 C TYR A 14 14.722 -7.429 -4.343 1.00 1.00 C ATOM 377 O TYR A 14 15.288 -6.675 -3.547 1.00 20.22 O ATOM 378 CB TYR A 14 12.411 -8.130 -3.801 1.00 75.13 C ATOM 379 CG TYR A 14 12.539 -7.824 -2.324 1.00 40.31 C ATOM 380 CD1 TYR A 14 12.188 -6.580 -1.817 1.00 44.41 C ATOM 381 CD2 TYR A 14 13.017 -8.782 -1.439 1.00 32.44 C ATOM 382 CE1 TYR A 14 12.310 -6.299 -0.468 1.00 63.31 C ATOM 383 CE2 TYR A 14 13.141 -8.511 -0.090 1.00 42.42 C ATOM 384 CZ TYR A 14 12.787 -7.269 0.391 1.00 34.41 C ATOM 385 OH TYR A 14 12.914 -6.995 1.735 1.00 23.24 O ATOM 0 H TYR A 14 12.261 -8.212 -6.271 1.00 43.02 H new ATOM 0 HA TYR A 14 12.989 -6.188 -4.546 1.00 4.22 H new ATOM 0 HB2 TYR A 14 11.365 -8.033 -4.092 1.00 75.13 H new ATOM 0 HB3 TYR A 14 12.694 -9.169 -3.972 1.00 75.13 H new ATOM 0 HD1 TYR A 14 11.814 -5.820 -2.486 1.00 44.41 H new ATOM 0 HD2 TYR A 14 13.297 -9.756 -1.812 1.00 32.44 H new ATOM 0 HE1 TYR A 14 12.034 -5.326 -0.089 1.00 63.31 H new ATOM 0 HE2 TYR A 14 13.513 -9.268 0.584 1.00 42.42 H new ATOM 0 HH TYR A 14 12.636 -7.777 2.256 1.00 23.24 H new ATOM 395 N ASP A 15 15.313 -8.465 -4.924 1.00 23.35 N ATOM 396 CA ASP A 15 16.699 -8.801 -4.668 1.00 72.42 C ATOM 397 C ASP A 15 17.616 -7.581 -4.814 1.00 14.04 C ATOM 398 O ASP A 15 18.443 -7.314 -3.942 1.00 21.24 O ATOM 399 CB ASP A 15 17.151 -9.925 -5.607 1.00 2.15 C ATOM 400 CG ASP A 15 17.036 -9.546 -7.074 1.00 40.42 C ATOM 401 OD1 ASP A 15 15.898 -9.476 -7.585 1.00 0.44 O ATOM 402 OD2 ASP A 15 18.083 -9.311 -7.710 1.00 21.43 O ATOM 0 H ASP A 15 14.845 -9.089 -5.581 1.00 23.35 H new ATOM 0 HA ASP A 15 16.773 -9.144 -3.636 1.00 72.42 H new ATOM 0 HB2 ASP A 15 18.186 -10.186 -5.383 1.00 2.15 H new ATOM 0 HB3 ASP A 15 16.550 -10.815 -5.418 1.00 2.15 H new ATOM 407 N LYS A 16 17.461 -6.844 -5.916 1.00 23.40 N ATOM 408 CA LYS A 16 18.278 -5.658 -6.168 1.00 32.21 C ATOM 409 C LYS A 16 17.970 -4.543 -5.169 1.00 43.24 C ATOM 410 O LYS A 16 18.869 -3.807 -4.760 1.00 11.02 O ATOM 411 CB LYS A 16 18.060 -5.149 -7.594 1.00 74.53 C ATOM 412 CG LYS A 16 19.153 -4.208 -8.076 1.00 53.44 C ATOM 413 CD LYS A 16 20.168 -4.931 -8.950 1.00 13.01 C ATOM 414 CE LYS A 16 21.597 -4.607 -8.536 1.00 5.42 C ATOM 415 NZ LYS A 16 21.993 -5.320 -7.287 1.00 13.00 N ATOM 0 H LYS A 16 16.778 -7.048 -6.646 1.00 23.40 H new ATOM 0 HA LYS A 16 19.321 -5.948 -6.045 1.00 32.21 H new ATOM 0 HB2 LYS A 16 18.001 -6.002 -8.271 1.00 74.53 H new ATOM 0 HB3 LYS A 16 17.100 -4.635 -7.645 1.00 74.53 H new ATOM 0 HG2 LYS A 16 18.706 -3.388 -8.638 1.00 53.44 H new ATOM 0 HG3 LYS A 16 19.660 -3.767 -7.217 1.00 53.44 H new ATOM 0 HD2 LYS A 16 20.005 -6.007 -8.884 1.00 13.01 H new ATOM 0 HD3 LYS A 16 20.018 -4.649 -9.992 1.00 13.01 H new ATOM 0 HE2 LYS A 16 22.279 -4.881 -9.341 1.00 5.42 H new ATOM 0 HE3 LYS A 16 21.696 -3.532 -8.386 1.00 5.42 H new ATOM 0 HZ1 LYS A 16 22.972 -5.071 -7.041 1.00 13.00 H new ATOM 0 HZ2 LYS A 16 21.359 -5.040 -6.511 1.00 13.00 H new ATOM 0 HZ3 LYS A 16 21.924 -6.347 -7.437 1.00 13.00 H new ATOM 429 N PHE A 17 16.698 -4.421 -4.784 1.00 21.32 N ATOM 430 CA PHE A 17 16.277 -3.392 -3.836 1.00 53.14 C ATOM 431 C PHE A 17 17.003 -3.546 -2.498 1.00 54.05 C ATOM 432 O PHE A 17 17.621 -2.597 -2.012 1.00 22.43 O ATOM 433 CB PHE A 17 14.756 -3.437 -3.628 1.00 53.54 C ATOM 434 CG PHE A 17 14.265 -2.514 -2.545 1.00 63.54 C ATOM 435 CD1 PHE A 17 14.311 -2.905 -1.216 1.00 2.03 C ATOM 436 CD2 PHE A 17 13.762 -1.257 -2.852 1.00 14.05 C ATOM 437 CE1 PHE A 17 13.869 -2.064 -0.216 1.00 31.31 C ATOM 438 CE2 PHE A 17 13.316 -0.413 -1.853 1.00 5.21 C ATOM 439 CZ PHE A 17 13.371 -0.818 -0.533 1.00 2.31 C ATOM 0 H PHE A 17 15.943 -5.022 -5.115 1.00 21.32 H new ATOM 0 HA PHE A 17 16.542 -2.422 -4.256 1.00 53.14 H new ATOM 0 HB2 PHE A 17 14.262 -3.178 -4.565 1.00 53.54 H new ATOM 0 HB3 PHE A 17 14.462 -4.458 -3.384 1.00 53.54 H new ATOM 0 HD1 PHE A 17 14.698 -3.880 -0.960 1.00 2.03 H new ATOM 0 HD2 PHE A 17 13.719 -0.936 -3.882 1.00 14.05 H new ATOM 0 HE1 PHE A 17 13.913 -2.382 0.815 1.00 31.31 H new ATOM 0 HE2 PHE A 17 12.925 0.562 -2.104 1.00 5.21 H new ATOM 0 HZ PHE A 17 13.024 -0.159 0.249 1.00 2.31 H new ATOM 449 N MET A 18 16.933 -4.743 -1.908 1.00 12.41 N ATOM 450 CA MET A 18 17.596 -4.998 -0.627 1.00 32.52 C ATOM 451 C MET A 18 19.113 -4.950 -0.774 1.00 1.44 C ATOM 452 O MET A 18 19.811 -4.451 0.111 1.00 55.44 O ATOM 453 CB MET A 18 17.162 -6.341 -0.030 1.00 14.21 C ATOM 454 CG MET A 18 17.275 -7.516 -0.983 1.00 20.12 C ATOM 455 SD MET A 18 17.354 -9.095 -0.115 1.00 35.30 S ATOM 456 CE MET A 18 16.245 -10.094 -1.101 1.00 2.42 C ATOM 0 H MET A 18 16.430 -5.543 -2.292 1.00 12.41 H new ATOM 0 HA MET A 18 17.291 -4.207 0.058 1.00 32.52 H new ATOM 0 HB2 MET A 18 17.768 -6.545 0.853 1.00 14.21 H new ATOM 0 HB3 MET A 18 16.128 -6.259 0.305 1.00 14.21 H new ATOM 0 HG2 MET A 18 16.419 -7.517 -1.658 1.00 20.12 H new ATOM 0 HG3 MET A 18 18.167 -7.397 -1.599 1.00 20.12 H new ATOM 0 HE1 MET A 18 15.484 -10.536 -0.458 1.00 2.42 H new ATOM 0 HE2 MET A 18 15.765 -9.469 -1.854 1.00 2.42 H new ATOM 0 HE3 MET A 18 16.809 -10.886 -1.593 1.00 2.42 H new ATOM 466 N GLU A 19 19.623 -5.455 -1.898 1.00 33.14 N ATOM 467 CA GLU A 19 21.060 -5.448 -2.151 1.00 12.13 C ATOM 468 C GLU A 19 21.572 -4.015 -2.315 1.00 73.11 C ATOM 469 O GLU A 19 22.684 -3.696 -1.893 1.00 14.15 O ATOM 470 CB GLU A 19 21.392 -6.274 -3.398 1.00 43.55 C ATOM 471 CG GLU A 19 21.244 -7.774 -3.192 1.00 64.34 C ATOM 472 CD GLU A 19 22.545 -8.525 -3.399 1.00 11.02 C ATOM 473 OE1 GLU A 19 23.302 -8.684 -2.417 1.00 42.41 O ATOM 474 OE2 GLU A 19 22.804 -8.958 -4.542 1.00 3.41 O ATOM 0 H GLU A 19 19.064 -5.871 -2.643 1.00 33.14 H new ATOM 0 HA GLU A 19 21.558 -5.899 -1.292 1.00 12.13 H new ATOM 0 HB2 GLU A 19 20.741 -5.962 -4.214 1.00 43.55 H new ATOM 0 HB3 GLU A 19 22.415 -6.057 -3.706 1.00 43.55 H new ATOM 0 HG2 GLU A 19 20.877 -7.963 -2.183 1.00 64.34 H new ATOM 0 HG3 GLU A 19 20.493 -8.159 -3.882 1.00 64.34 H new ATOM 481 N LYS A 20 20.749 -3.154 -2.925 1.00 34.31 N ATOM 482 CA LYS A 20 21.114 -1.754 -3.140 1.00 75.12 C ATOM 483 C LYS A 20 21.444 -1.053 -1.828 1.00 52.41 C ATOM 484 O LYS A 20 22.523 -0.479 -1.683 1.00 0.31 O ATOM 485 CB LYS A 20 19.993 -1.007 -3.848 1.00 1.30 C ATOM 486 CG LYS A 20 20.506 0.177 -4.637 1.00 71.41 C ATOM 487 CD LYS A 20 20.317 -0.021 -6.129 1.00 42.03 C ATOM 488 CE LYS A 20 19.462 1.074 -6.737 1.00 31.24 C ATOM 489 NZ LYS A 20 20.153 1.751 -7.868 1.00 51.13 N ATOM 0 H LYS A 20 19.826 -3.405 -3.278 1.00 34.31 H new ATOM 0 HA LYS A 20 22.005 -1.747 -3.768 1.00 75.12 H new ATOM 0 HB2 LYS A 20 19.470 -1.689 -4.518 1.00 1.30 H new ATOM 0 HB3 LYS A 20 19.266 -0.664 -3.112 1.00 1.30 H new ATOM 0 HG2 LYS A 20 19.984 1.080 -4.320 1.00 71.41 H new ATOM 0 HG3 LYS A 20 21.564 0.328 -4.421 1.00 71.41 H new ATOM 0 HD2 LYS A 20 21.290 -0.038 -6.620 1.00 42.03 H new ATOM 0 HD3 LYS A 20 19.851 -0.990 -6.311 1.00 42.03 H new ATOM 0 HE2 LYS A 20 18.522 0.648 -7.088 1.00 31.24 H new ATOM 0 HE3 LYS A 20 19.213 1.808 -5.971 1.00 31.24 H new ATOM 0 HZ1 LYS A 20 19.455 2.264 -8.444 1.00 51.13 H new ATOM 0 HZ2 LYS A 20 20.854 2.422 -7.495 1.00 51.13 H new ATOM 0 HZ3 LYS A 20 20.633 1.041 -8.457 1.00 51.13 H new ATOM 503 N MET A 21 20.511 -1.103 -0.877 1.00 1.05 N ATOM 504 CA MET A 21 20.707 -0.472 0.427 1.00 41.22 C ATOM 505 C MET A 21 22.008 -0.943 1.076 1.00 13.10 C ATOM 506 O MET A 21 22.671 -0.185 1.788 1.00 1.00 O ATOM 507 CB MET A 21 19.535 -0.797 1.355 1.00 53.53 C ATOM 508 CG MET A 21 18.390 0.193 1.268 1.00 51.42 C ATOM 509 SD MET A 21 16.826 -0.592 0.841 1.00 13.44 S ATOM 510 CE MET A 21 16.492 0.182 -0.737 1.00 34.41 C ATOM 0 H MET A 21 19.613 -1.574 -0.986 1.00 1.05 H new ATOM 0 HA MET A 21 20.762 0.605 0.270 1.00 41.22 H new ATOM 0 HB2 MET A 21 19.161 -1.792 1.116 1.00 53.53 H new ATOM 0 HB3 MET A 21 19.896 -0.830 2.383 1.00 53.53 H new ATOM 0 HG2 MET A 21 18.285 0.707 2.224 1.00 51.42 H new ATOM 0 HG3 MET A 21 18.627 0.952 0.522 1.00 51.42 H new ATOM 0 HE1 MET A 21 15.939 -0.510 -1.372 1.00 34.41 H new ATOM 0 HE2 MET A 21 15.900 1.084 -0.582 1.00 34.41 H new ATOM 0 HE3 MET A 21 17.433 0.444 -1.220 1.00 34.41 H new ATOM 520 N GLY A 22 22.354 -2.205 0.825 1.00 11.42 N ATOM 521 CA GLY A 22 23.567 -2.788 1.387 1.00 24.52 C ATOM 522 C GLY A 22 23.272 -3.725 2.548 1.00 42.12 C ATOM 523 O GLY A 22 24.051 -3.810 3.500 1.00 14.01 O ATOM 0 H GLY A 22 21.812 -2.840 0.238 1.00 11.42 H new ATOM 0 HA2 GLY A 22 24.100 -3.334 0.608 1.00 24.52 H new ATOM 0 HA3 GLY A 22 24.228 -1.990 1.726 1.00 24.52 H new ATOM 527 N VAL A 23 22.131 -4.413 2.474 1.00 74.24 N ATOM 528 CA VAL A 23 21.703 -5.334 3.523 1.00 22.24 C ATOM 529 C VAL A 23 22.599 -6.573 3.600 1.00 4.44 C ATOM 530 O VAL A 23 23.083 -7.072 2.582 1.00 54.54 O ATOM 531 CB VAL A 23 20.238 -5.771 3.299 1.00 62.42 C ATOM 532 CG1 VAL A 23 19.754 -6.654 4.437 1.00 63.14 C ATOM 533 CG2 VAL A 23 19.331 -4.557 3.144 1.00 52.34 C ATOM 0 H VAL A 23 21.483 -4.347 1.689 1.00 74.24 H new ATOM 0 HA VAL A 23 21.784 -4.798 4.468 1.00 22.24 H new ATOM 0 HB VAL A 23 20.198 -6.351 2.377 1.00 62.42 H new ATOM 0 HG11 VAL A 23 18.720 -6.948 4.255 1.00 63.14 H new ATOM 0 HG12 VAL A 23 20.379 -7.545 4.498 1.00 63.14 H new ATOM 0 HG13 VAL A 23 19.815 -6.104 5.376 1.00 63.14 H new ATOM 0 HG21 VAL A 23 18.304 -4.888 2.987 1.00 52.34 H new ATOM 0 HG22 VAL A 23 19.382 -3.947 4.046 1.00 52.34 H new ATOM 0 HG23 VAL A 23 19.657 -3.966 2.288 1.00 52.34 H new ATOM 543 N ASN A 24 22.803 -7.061 4.826 1.00 11.41 N ATOM 544 CA ASN A 24 23.625 -8.240 5.079 1.00 23.14 C ATOM 545 C ASN A 24 22.865 -9.522 4.744 1.00 0.10 C ATOM 546 O ASN A 24 21.636 -9.559 4.807 1.00 72.22 O ATOM 547 CB ASN A 24 24.057 -8.250 6.541 1.00 54.24 C ATOM 548 CG ASN A 24 24.836 -9.487 6.905 1.00 14.23 C ATOM 549 OD1 ASN A 24 25.901 -9.755 6.349 1.00 55.42 O ATOM 550 ND2 ASN A 24 24.305 -10.251 7.838 1.00 33.20 N ATOM 0 H ASN A 24 22.402 -6.648 5.668 1.00 11.41 H new ATOM 0 HA ASN A 24 24.505 -8.197 4.438 1.00 23.14 H new ATOM 0 HB2 ASN A 24 24.666 -7.369 6.742 1.00 54.24 H new ATOM 0 HB3 ASN A 24 23.175 -8.180 7.177 1.00 54.24 H new ATOM 0 HD21 ASN A 24 24.779 -11.106 8.128 1.00 33.20 H new ATOM 0 HD22 ASN A 24 23.420 -9.987 8.270 1.00 33.20 H new ATOM 557 N ILE A 25 23.613 -10.567 4.389 1.00 54.42 N ATOM 558 CA ILE A 25 23.032 -11.863 4.035 1.00 72.22 C ATOM 559 C ILE A 25 21.940 -12.293 5.022 1.00 12.24 C ATOM 560 O ILE A 25 20.873 -12.741 4.607 1.00 42.11 O ATOM 561 CB ILE A 25 24.121 -12.961 3.960 1.00 13.12 C ATOM 562 CG1 ILE A 25 23.532 -14.280 3.433 1.00 61.22 C ATOM 563 CG2 ILE A 25 24.788 -13.157 5.315 1.00 44.35 C ATOM 564 CD1 ILE A 25 23.071 -15.237 4.516 1.00 52.24 C ATOM 0 H ILE A 25 24.631 -10.540 4.339 1.00 54.42 H new ATOM 0 HA ILE A 25 22.576 -11.741 3.052 1.00 72.22 H new ATOM 0 HB ILE A 25 24.887 -12.634 3.257 1.00 13.12 H new ATOM 0 HG12 ILE A 25 22.687 -14.052 2.783 1.00 61.22 H new ATOM 0 HG13 ILE A 25 24.282 -14.779 2.819 1.00 61.22 H new ATOM 0 HG21 ILE A 25 25.549 -13.933 5.237 1.00 44.35 H new ATOM 0 HG22 ILE A 25 25.253 -12.223 5.630 1.00 44.35 H new ATOM 0 HG23 ILE A 25 24.040 -13.455 6.049 1.00 44.35 H new ATOM 0 HD11 ILE A 25 22.670 -16.140 4.057 1.00 52.24 H new ATOM 0 HD12 ILE A 25 23.915 -15.498 5.154 1.00 52.24 H new ATOM 0 HD13 ILE A 25 22.296 -14.761 5.117 1.00 52.24 H new ATOM 576 N VAL A 26 22.214 -12.154 6.322 1.00 2.11 N ATOM 577 CA VAL A 26 21.252 -12.540 7.361 1.00 13.11 C ATOM 578 C VAL A 26 19.998 -11.669 7.316 1.00 2.32 C ATOM 579 O VAL A 26 18.879 -12.178 7.401 1.00 72.11 O ATOM 580 CB VAL A 26 21.867 -12.467 8.778 1.00 65.13 C ATOM 581 CG1 VAL A 26 20.887 -13.004 9.813 1.00 20.43 C ATOM 582 CG2 VAL A 26 23.182 -13.233 8.842 1.00 61.24 C ATOM 0 H VAL A 26 23.092 -11.778 6.681 1.00 2.11 H new ATOM 0 HA VAL A 26 20.979 -13.574 7.151 1.00 13.11 H new ATOM 0 HB VAL A 26 22.073 -11.421 9.004 1.00 65.13 H new ATOM 0 HG11 VAL A 26 21.336 -12.945 10.804 1.00 20.43 H new ATOM 0 HG12 VAL A 26 19.974 -12.409 9.792 1.00 20.43 H new ATOM 0 HG13 VAL A 26 20.649 -14.043 9.584 1.00 20.43 H new ATOM 0 HG21 VAL A 26 23.594 -13.166 9.849 1.00 61.24 H new ATOM 0 HG22 VAL A 26 23.006 -14.279 8.591 1.00 61.24 H new ATOM 0 HG23 VAL A 26 23.888 -12.803 8.132 1.00 61.24 H new ATOM 592 N LYS A 27 20.188 -10.361 7.170 1.00 23.21 N ATOM 593 CA LYS A 27 19.070 -9.427 7.102 1.00 0.55 C ATOM 594 C LYS A 27 18.235 -9.682 5.845 1.00 35.41 C ATOM 595 O LYS A 27 17.015 -9.516 5.858 1.00 2.44 O ATOM 596 CB LYS A 27 19.584 -7.981 7.120 1.00 75.22 C ATOM 597 CG LYS A 27 19.930 -7.429 8.506 1.00 2.03 C ATOM 598 CD LYS A 27 19.641 -8.415 9.633 1.00 3.04 C ATOM 599 CE LYS A 27 18.193 -8.333 10.097 1.00 63.21 C ATOM 600 NZ LYS A 27 18.039 -8.723 11.527 1.00 32.42 N ATOM 0 H LYS A 27 21.107 -9.924 7.096 1.00 23.21 H new ATOM 0 HA LYS A 27 18.435 -9.581 7.974 1.00 0.55 H new ATOM 0 HB2 LYS A 27 20.472 -7.920 6.490 1.00 75.22 H new ATOM 0 HB3 LYS A 27 18.828 -7.338 6.669 1.00 75.22 H new ATOM 0 HG2 LYS A 27 20.986 -7.159 8.530 1.00 2.03 H new ATOM 0 HG3 LYS A 27 19.363 -6.514 8.678 1.00 2.03 H new ATOM 0 HD2 LYS A 27 19.858 -9.428 9.294 1.00 3.04 H new ATOM 0 HD3 LYS A 27 20.304 -8.211 10.474 1.00 3.04 H new ATOM 0 HE2 LYS A 27 17.825 -7.316 9.957 1.00 63.21 H new ATOM 0 HE3 LYS A 27 17.577 -8.983 9.476 1.00 63.21 H new ATOM 0 HZ1 LYS A 27 17.038 -8.653 11.800 1.00 32.42 H new ATOM 0 HZ2 LYS A 27 18.365 -9.702 11.657 1.00 32.42 H new ATOM 0 HZ3 LYS A 27 18.606 -8.087 12.123 1.00 32.42 H new ATOM 614 N ARG A 28 18.902 -10.103 4.766 1.00 35.42 N ATOM 615 CA ARG A 28 18.226 -10.401 3.506 1.00 73.41 C ATOM 616 C ARG A 28 17.508 -11.757 3.565 1.00 21.31 C ATOM 617 O ARG A 28 16.654 -12.043 2.725 1.00 20.24 O ATOM 618 CB ARG A 28 19.225 -10.391 2.339 1.00 14.03 C ATOM 619 CG ARG A 28 19.992 -9.081 2.192 1.00 43.03 C ATOM 620 CD ARG A 28 20.477 -8.859 0.765 1.00 43.33 C ATOM 621 NE ARG A 28 21.203 -10.014 0.236 1.00 51.53 N ATOM 622 CZ ARG A 28 22.522 -10.193 0.354 1.00 40.33 C ATOM 623 NH1 ARG A 28 23.271 -9.305 1.003 1.00 72.33 N ATOM 624 NH2 ARG A 28 23.092 -11.270 -0.178 1.00 53.35 N ATOM 0 H ARG A 28 19.912 -10.244 4.743 1.00 35.42 H new ATOM 0 HA ARG A 28 17.480 -9.623 3.343 1.00 73.41 H new ATOM 0 HB2 ARG A 28 19.938 -11.204 2.477 1.00 14.03 H new ATOM 0 HB3 ARG A 28 18.688 -10.592 1.412 1.00 14.03 H new ATOM 0 HG2 ARG A 28 19.352 -8.251 2.490 1.00 43.03 H new ATOM 0 HG3 ARG A 28 20.846 -9.084 2.869 1.00 43.03 H new ATOM 0 HD2 ARG A 28 19.622 -8.645 0.123 1.00 43.33 H new ATOM 0 HD3 ARG A 28 21.124 -7.982 0.736 1.00 43.33 H new ATOM 0 HE ARG A 28 20.667 -10.730 -0.255 1.00 51.53 H new ATOM 0 HH11 ARG A 28 22.839 -8.478 1.416 1.00 72.33 H new ATOM 0 HH12 ARG A 28 24.277 -9.451 1.087 1.00 72.33 H new ATOM 0 HH21 ARG A 28 22.523 -11.956 -0.674 1.00 53.35 H new ATOM 0 HH22 ARG A 28 24.098 -11.410 -0.090 1.00 53.35 H new ATOM 638 N LYS A 29 17.861 -12.592 4.552 1.00 42.34 N ATOM 639 CA LYS A 29 17.253 -13.913 4.704 1.00 71.22 C ATOM 640 C LYS A 29 15.828 -13.823 5.247 1.00 43.34 C ATOM 641 O LYS A 29 14.911 -14.407 4.671 1.00 45.01 O ATOM 642 CB LYS A 29 18.102 -14.801 5.625 1.00 55.42 C ATOM 643 CG LYS A 29 19.355 -15.371 4.970 1.00 13.50 C ATOM 644 CD LYS A 29 19.086 -15.877 3.559 1.00 64.11 C ATOM 645 CE LYS A 29 19.394 -14.816 2.509 1.00 44.41 C ATOM 646 NZ LYS A 29 18.291 -14.666 1.514 1.00 25.21 N ATOM 0 H LYS A 29 18.566 -12.372 5.256 1.00 42.34 H new ATOM 0 HA LYS A 29 17.211 -14.361 3.711 1.00 71.22 H new ATOM 0 HB2 LYS A 29 18.396 -14.220 6.499 1.00 55.42 H new ATOM 0 HB3 LYS A 29 17.486 -15.626 5.983 1.00 55.42 H new ATOM 0 HG2 LYS A 29 20.128 -14.603 4.938 1.00 13.50 H new ATOM 0 HG3 LYS A 29 19.742 -16.187 5.579 1.00 13.50 H new ATOM 0 HD2 LYS A 29 19.692 -16.763 3.369 1.00 64.11 H new ATOM 0 HD3 LYS A 29 18.042 -16.180 3.474 1.00 64.11 H new ATOM 0 HE2 LYS A 29 19.568 -13.860 3.002 1.00 44.41 H new ATOM 0 HE3 LYS A 29 20.316 -15.079 1.990 1.00 44.41 H new ATOM 0 HZ1 LYS A 29 18.694 -14.586 0.559 1.00 25.21 H new ATOM 0 HZ2 LYS A 29 17.668 -15.497 1.559 1.00 25.21 H new ATOM 0 HZ3 LYS A 29 17.742 -13.810 1.731 1.00 25.21 H new ATOM 660 N LEU A 30 15.631 -13.104 6.357 1.00 0.04 N ATOM 661 CA LEU A 30 14.294 -12.986 6.935 1.00 2.32 C ATOM 662 C LEU A 30 13.455 -11.920 6.241 1.00 0.13 C ATOM 663 O LEU A 30 12.245 -12.085 6.095 1.00 63.51 O ATOM 664 CB LEU A 30 14.321 -12.726 8.430 1.00 20.41 C ATOM 665 CG LEU A 30 15.439 -11.844 8.959 1.00 54.54 C ATOM 666 CD1 LEU A 30 15.247 -10.421 8.484 1.00 34.44 C ATOM 667 CD2 LEU A 30 15.437 -11.908 10.465 1.00 24.21 C ATOM 0 H LEU A 30 16.364 -12.606 6.862 1.00 0.04 H new ATOM 0 HA LEU A 30 13.825 -13.956 6.770 1.00 2.32 H new ATOM 0 HB2 LEU A 30 13.371 -12.273 8.712 1.00 20.41 H new ATOM 0 HB3 LEU A 30 14.379 -13.688 8.940 1.00 20.41 H new ATOM 0 HG LEU A 30 16.400 -12.197 8.585 1.00 54.54 H new ATOM 0 HD11 LEU A 30 16.054 -9.797 8.869 1.00 34.44 H new ATOM 0 HD12 LEU A 30 15.258 -10.397 7.394 1.00 34.44 H new ATOM 0 HD13 LEU A 30 14.291 -10.042 8.846 1.00 34.44 H new ATOM 0 HD21 LEU A 30 16.236 -11.278 10.857 1.00 24.21 H new ATOM 0 HD22 LEU A 30 14.478 -11.554 10.843 1.00 24.21 H new ATOM 0 HD23 LEU A 30 15.596 -12.938 10.786 1.00 24.21 H new ATOM 679 N ALA A 31 14.094 -10.834 5.803 1.00 13.00 N ATOM 680 CA ALA A 31 13.381 -9.761 5.113 1.00 53.21 C ATOM 681 C ALA A 31 12.881 -10.232 3.743 1.00 45.35 C ATOM 682 O ALA A 31 12.052 -9.570 3.115 1.00 64.14 O ATOM 683 CB ALA A 31 14.276 -8.537 4.965 1.00 32.31 C ATOM 0 H ALA A 31 15.096 -10.676 5.913 1.00 13.00 H new ATOM 0 HA ALA A 31 12.514 -9.485 5.714 1.00 53.21 H new ATOM 0 HB1 ALA A 31 13.730 -7.747 4.449 1.00 32.31 H new ATOM 0 HB2 ALA A 31 14.577 -8.185 5.952 1.00 32.31 H new ATOM 0 HB3 ALA A 31 15.162 -8.802 4.388 1.00 32.31 H new ATOM 689 N ALA A 32 13.380 -11.391 3.295 1.00 21.43 N ATOM 690 CA ALA A 32 12.976 -11.967 2.013 1.00 31.20 C ATOM 691 C ALA A 32 11.906 -13.039 2.218 1.00 72.33 C ATOM 692 O ALA A 32 10.999 -13.187 1.396 1.00 61.14 O ATOM 693 CB ALA A 32 14.180 -12.551 1.288 1.00 2.52 C ATOM 0 H ALA A 32 14.066 -11.947 3.806 1.00 21.43 H new ATOM 0 HA ALA A 32 12.554 -11.172 1.398 1.00 31.20 H new ATOM 0 HB1 ALA A 32 13.861 -12.975 0.336 1.00 2.52 H new ATOM 0 HB2 ALA A 32 14.913 -11.764 1.107 1.00 2.52 H new ATOM 0 HB3 ALA A 32 14.630 -13.332 1.901 1.00 2.52 H new ATOM 699 N HIS A 33 12.018 -13.772 3.329 1.00 43.24 N ATOM 700 CA HIS A 33 11.065 -14.823 3.675 1.00 1.23 C ATOM 701 C HIS A 33 10.304 -14.436 4.945 1.00 61.14 C ATOM 702 O HIS A 33 10.055 -15.271 5.818 1.00 14.32 O ATOM 703 CB HIS A 33 11.795 -16.155 3.883 1.00 41.43 C ATOM 704 CG HIS A 33 12.663 -16.565 2.730 1.00 14.22 C ATOM 705 ND1 HIS A 33 12.238 -17.421 1.736 1.00 52.35 N ATOM 706 CD2 HIS A 33 13.943 -16.239 2.418 1.00 0.13 C ATOM 707 CE1 HIS A 33 13.214 -17.606 0.866 1.00 13.42 C ATOM 708 NE2 HIS A 33 14.259 -16.900 1.256 1.00 43.33 N ATOM 0 H HIS A 33 12.769 -13.652 4.009 1.00 43.24 H new ATOM 0 HA HIS A 33 10.355 -14.940 2.856 1.00 1.23 H new ATOM 0 HB2 HIS A 33 12.411 -16.083 4.780 1.00 41.43 H new ATOM 0 HB3 HIS A 33 11.057 -16.937 4.064 1.00 41.43 H new ATOM 0 HD2 HIS A 33 14.592 -15.582 2.979 1.00 0.13 H new ATOM 0 HE1 HIS A 33 13.166 -18.229 -0.015 1.00 13.42 H new ATOM 0 HE2 HIS A 33 15.156 -16.853 0.773 1.00 43.33 H new ATOM 716 N ASP A 34 9.949 -13.152 5.044 1.00 42.54 N ATOM 717 CA ASP A 34 9.237 -12.629 6.198 1.00 52.21 C ATOM 718 C ASP A 34 7.770 -13.072 6.202 1.00 21.13 C ATOM 719 O ASP A 34 7.157 -13.171 7.266 1.00 71.41 O ATOM 720 CB ASP A 34 9.369 -11.095 6.221 1.00 1.33 C ATOM 721 CG ASP A 34 8.104 -10.364 5.790 1.00 71.54 C ATOM 722 OD1 ASP A 34 7.177 -10.236 6.614 1.00 31.20 O ATOM 723 OD2 ASP A 34 8.044 -9.916 4.627 1.00 32.42 O ATOM 0 H ASP A 34 10.149 -12.454 4.327 1.00 42.54 H new ATOM 0 HA ASP A 34 9.683 -13.035 7.106 1.00 52.21 H new ATOM 0 HB2 ASP A 34 9.636 -10.777 7.229 1.00 1.33 H new ATOM 0 HB3 ASP A 34 10.189 -10.800 5.566 1.00 1.33 H new ATOM 728 N ASN A 35 7.213 -13.330 5.009 1.00 41.03 N ATOM 729 CA ASN A 35 5.816 -13.757 4.883 1.00 44.03 C ATOM 730 C ASN A 35 4.883 -12.613 5.272 1.00 60.43 C ATOM 731 O ASN A 35 4.016 -12.757 6.139 1.00 3.13 O ATOM 732 CB ASN A 35 5.541 -14.998 5.745 1.00 33.23 C ATOM 733 CG ASN A 35 6.191 -16.252 5.187 1.00 55.54 C ATOM 734 OD1 ASN A 35 5.559 -17.018 4.460 1.00 11.22 O ATOM 735 ND2 ASN A 35 7.456 -16.472 5.529 1.00 5.23 N ATOM 0 H ASN A 35 7.709 -13.250 4.121 1.00 41.03 H new ATOM 0 HA ASN A 35 5.629 -14.025 3.843 1.00 44.03 H new ATOM 0 HB2 ASN A 35 5.908 -14.822 6.756 1.00 33.23 H new ATOM 0 HB3 ASN A 35 4.465 -15.153 5.819 1.00 33.23 H new ATOM 0 HD21 ASN A 35 7.940 -17.302 5.186 1.00 5.23 H new ATOM 0 HD22 ASN A 35 7.943 -15.811 6.134 1.00 5.23 H new ATOM 742 N LEU A 36 5.087 -11.469 4.626 1.00 3.32 N ATOM 743 CA LEU A 36 4.298 -10.272 4.888 1.00 24.14 C ATOM 744 C LEU A 36 2.813 -10.488 4.596 1.00 43.34 C ATOM 745 O LEU A 36 2.410 -10.636 3.439 1.00 74.22 O ATOM 746 CB LEU A 36 4.832 -9.109 4.047 1.00 32.11 C ATOM 747 CG LEU A 36 4.413 -7.713 4.509 1.00 12.43 C ATOM 748 CD1 LEU A 36 5.049 -7.374 5.849 1.00 11.22 C ATOM 749 CD2 LEU A 36 4.789 -6.680 3.457 1.00 62.23 C ATOM 0 H LEU A 36 5.802 -11.347 3.909 1.00 3.32 H new ATOM 0 HA LEU A 36 4.392 -10.038 5.948 1.00 24.14 H new ATOM 0 HB2 LEU A 36 5.921 -9.159 4.041 1.00 32.11 H new ATOM 0 HB3 LEU A 36 4.501 -9.246 3.018 1.00 32.11 H new ATOM 0 HG LEU A 36 3.331 -7.700 4.639 1.00 12.43 H new ATOM 0 HD11 LEU A 36 4.737 -6.376 6.158 1.00 11.22 H new ATOM 0 HD12 LEU A 36 4.732 -8.101 6.597 1.00 11.22 H new ATOM 0 HD13 LEU A 36 6.134 -7.401 5.754 1.00 11.22 H new ATOM 0 HD21 LEU A 36 4.486 -5.689 3.796 1.00 62.23 H new ATOM 0 HD22 LEU A 36 5.868 -6.696 3.300 1.00 62.23 H new ATOM 0 HD23 LEU A 36 4.283 -6.914 2.520 1.00 62.23 H new ATOM 761 N LYS A 37 2.003 -10.478 5.655 1.00 71.12 N ATOM 762 CA LYS A 37 0.554 -10.639 5.523 1.00 60.54 C ATOM 763 C LYS A 37 -0.103 -9.261 5.528 1.00 24.21 C ATOM 764 O LYS A 37 0.092 -8.485 6.464 1.00 3.53 O ATOM 765 CB LYS A 37 -0.004 -11.502 6.662 1.00 11.53 C ATOM 766 CG LYS A 37 -0.430 -12.896 6.221 1.00 13.02 C ATOM 767 CD LYS A 37 -1.942 -13.003 6.082 1.00 72.43 C ATOM 768 CE LYS A 37 -2.564 -13.734 7.265 1.00 71.34 C ATOM 769 NZ LYS A 37 -2.724 -15.193 7.002 1.00 32.13 N ATOM 0 H LYS A 37 2.326 -10.360 6.615 1.00 71.12 H new ATOM 0 HA LYS A 37 0.334 -11.145 4.583 1.00 60.54 H new ATOM 0 HB2 LYS A 37 0.752 -11.592 7.442 1.00 11.53 H new ATOM 0 HB3 LYS A 37 -0.860 -10.993 7.106 1.00 11.53 H new ATOM 0 HG2 LYS A 37 0.041 -13.136 5.268 1.00 13.02 H new ATOM 0 HG3 LYS A 37 -0.078 -13.631 6.945 1.00 13.02 H new ATOM 0 HD2 LYS A 37 -2.372 -12.005 6.004 1.00 72.43 H new ATOM 0 HD3 LYS A 37 -2.187 -13.529 5.159 1.00 72.43 H new ATOM 0 HE2 LYS A 37 -1.940 -13.591 8.147 1.00 71.34 H new ATOM 0 HE3 LYS A 37 -3.537 -13.298 7.489 1.00 71.34 H new ATOM 0 HZ1 LYS A 37 -2.838 -15.698 7.904 1.00 32.13 H new ATOM 0 HZ2 LYS A 37 -3.564 -15.349 6.409 1.00 32.13 H new ATOM 0 HZ3 LYS A 37 -1.881 -15.551 6.509 1.00 32.13 H new ATOM 783 N LEU A 38 -0.847 -8.941 4.467 1.00 53.05 N ATOM 784 CA LEU A 38 -1.484 -7.628 4.356 1.00 55.31 C ATOM 785 C LEU A 38 -3.009 -7.690 4.410 1.00 42.42 C ATOM 786 O LEU A 38 -3.638 -8.563 3.810 1.00 35.15 O ATOM 787 CB LEU A 38 -1.059 -6.953 3.050 1.00 51.31 C ATOM 788 CG LEU A 38 0.240 -6.151 3.120 1.00 54.31 C ATOM 789 CD1 LEU A 38 1.394 -7.037 3.555 1.00 13.53 C ATOM 790 CD2 LEU A 38 0.538 -5.507 1.774 1.00 32.41 C ATOM 0 H LEU A 38 -1.022 -9.566 3.680 1.00 53.05 H new ATOM 0 HA LEU A 38 -1.152 -7.051 5.219 1.00 55.31 H new ATOM 0 HB2 LEU A 38 -0.952 -7.720 2.282 1.00 51.31 H new ATOM 0 HB3 LEU A 38 -1.860 -6.288 2.727 1.00 51.31 H new ATOM 0 HG LEU A 38 0.118 -5.362 3.862 1.00 54.31 H new ATOM 0 HD11 LEU A 38 2.309 -6.447 3.598 1.00 13.53 H new ATOM 0 HD12 LEU A 38 1.183 -7.452 4.540 1.00 13.53 H new ATOM 0 HD13 LEU A 38 1.519 -7.849 2.839 1.00 13.53 H new ATOM 0 HD21 LEU A 38 1.466 -4.939 1.840 1.00 32.41 H new ATOM 0 HD22 LEU A 38 0.640 -6.282 1.014 1.00 32.41 H new ATOM 0 HD23 LEU A 38 -0.278 -4.838 1.502 1.00 32.41 H new ATOM 802 N THR A 39 -3.583 -6.713 5.109 1.00 4.12 N ATOM 803 CA THR A 39 -5.033 -6.566 5.240 1.00 34.14 C ATOM 804 C THR A 39 -5.399 -5.120 4.941 1.00 60.12 C ATOM 805 O THR A 39 -4.906 -4.198 5.593 1.00 0.32 O ATOM 806 CB THR A 39 -5.505 -6.974 6.641 1.00 24.24 C ATOM 807 OG1 THR A 39 -4.755 -8.078 7.129 1.00 60.24 O ATOM 808 CG2 THR A 39 -6.970 -7.358 6.690 1.00 13.24 C ATOM 0 H THR A 39 -3.053 -5.996 5.604 1.00 4.12 H new ATOM 0 HA THR A 39 -5.533 -7.226 4.531 1.00 34.14 H new ATOM 0 HB THR A 39 -5.353 -6.091 7.262 1.00 24.24 H new ATOM 0 HG1 THR A 39 -5.073 -8.319 8.024 1.00 60.24 H new ATOM 0 HG21 THR A 39 -7.239 -7.636 7.709 1.00 13.24 H new ATOM 0 HG22 THR A 39 -7.579 -6.512 6.372 1.00 13.24 H new ATOM 0 HG23 THR A 39 -7.147 -8.203 6.025 1.00 13.24 H new ATOM 816 N ILE A 40 -6.220 -4.931 3.917 1.00 63.45 N ATOM 817 CA ILE A 40 -6.607 -3.598 3.476 1.00 32.40 C ATOM 818 C ILE A 40 -8.029 -3.214 3.908 1.00 3.04 C ATOM 819 O ILE A 40 -8.987 -3.944 3.648 1.00 63.13 O ATOM 820 CB ILE A 40 -6.517 -3.500 1.936 1.00 13.50 C ATOM 821 CG1 ILE A 40 -5.377 -4.370 1.379 1.00 43.23 C ATOM 822 CG2 ILE A 40 -6.347 -2.056 1.497 1.00 45.13 C ATOM 823 CD1 ILE A 40 -4.018 -3.705 1.417 1.00 40.54 C ATOM 0 H ILE A 40 -6.633 -5.689 3.373 1.00 63.45 H new ATOM 0 HA ILE A 40 -5.913 -2.905 3.951 1.00 32.40 H new ATOM 0 HB ILE A 40 -7.454 -3.880 1.529 1.00 13.50 H new ATOM 0 HG12 ILE A 40 -5.331 -5.298 1.948 1.00 43.23 H new ATOM 0 HG13 ILE A 40 -5.610 -4.639 0.349 1.00 43.23 H new ATOM 0 HG21 ILE A 40 -6.286 -2.011 0.410 1.00 45.13 H new ATOM 0 HG22 ILE A 40 -7.200 -1.469 1.837 1.00 45.13 H new ATOM 0 HG23 ILE A 40 -5.432 -1.650 1.929 1.00 45.13 H new ATOM 0 HD11 ILE A 40 -3.269 -4.383 1.007 1.00 40.54 H new ATOM 0 HD12 ILE A 40 -4.043 -2.791 0.823 1.00 40.54 H new ATOM 0 HD13 ILE A 40 -3.761 -3.461 2.448 1.00 40.54 H new ATOM 835 N THR A 41 -8.149 -2.042 4.543 1.00 54.24 N ATOM 836 CA THR A 41 -9.442 -1.516 4.991 1.00 51.53 C ATOM 837 C THR A 41 -9.418 0.017 4.989 1.00 13.25 C ATOM 838 O THR A 41 -8.518 0.623 5.579 1.00 34.23 O ATOM 839 CB THR A 41 -9.787 -2.027 6.391 1.00 54.44 C ATOM 840 OG1 THR A 41 -8.620 -2.188 7.180 1.00 3.41 O ATOM 841 CG2 THR A 41 -10.525 -3.350 6.379 1.00 35.25 C ATOM 0 H THR A 41 -7.358 -1.436 4.759 1.00 54.24 H new ATOM 0 HA THR A 41 -10.207 -1.866 4.298 1.00 51.53 H new ATOM 0 HB THR A 41 -10.441 -1.267 6.818 1.00 54.44 H new ATOM 0 HG1 THR A 41 -7.975 -1.485 6.957 1.00 3.41 H new ATOM 0 HG21 THR A 41 -10.740 -3.656 7.403 1.00 35.25 H new ATOM 0 HG22 THR A 41 -11.460 -3.240 5.830 1.00 35.25 H new ATOM 0 HG23 THR A 41 -9.907 -4.107 5.896 1.00 35.25 H new ATOM 849 N GLN A 42 -10.389 0.641 4.312 1.00 12.40 N ATOM 850 CA GLN A 42 -10.442 2.106 4.227 1.00 11.23 C ATOM 851 C GLN A 42 -11.825 2.662 4.540 1.00 64.22 C ATOM 852 O GLN A 42 -12.848 2.044 4.234 1.00 53.05 O ATOM 853 CB GLN A 42 -10.032 2.555 2.826 1.00 71.12 C ATOM 854 CG GLN A 42 -9.890 4.067 2.645 1.00 31.40 C ATOM 855 CD GLN A 42 -10.593 4.550 1.392 1.00 54.33 C ATOM 856 OE1 GLN A 42 -11.821 4.593 1.337 1.00 22.20 O ATOM 857 NE2 GLN A 42 -9.817 4.912 0.376 1.00 60.41 N ATOM 0 H GLN A 42 -11.142 0.161 3.819 1.00 12.40 H new ATOM 0 HA GLN A 42 -9.751 2.494 4.976 1.00 11.23 H new ATOM 0 HB2 GLN A 42 -9.082 2.084 2.574 1.00 71.12 H new ATOM 0 HB3 GLN A 42 -10.770 2.187 2.113 1.00 71.12 H new ATOM 0 HG2 GLN A 42 -10.304 4.578 3.514 1.00 31.40 H new ATOM 0 HG3 GLN A 42 -8.833 4.330 2.594 1.00 31.40 H new ATOM 0 HE21 GLN A 42 -8.802 4.860 0.466 1.00 60.41 H new ATOM 0 HE22 GLN A 42 -10.236 5.242 -0.494 1.00 60.41 H new ATOM 866 N GLU A 43 -11.833 3.859 5.124 1.00 44.32 N ATOM 867 CA GLU A 43 -13.065 4.559 5.463 1.00 55.23 C ATOM 868 C GLU A 43 -12.922 6.033 5.115 1.00 62.13 C ATOM 869 O GLU A 43 -12.721 6.883 5.986 1.00 44.33 O ATOM 870 CB GLU A 43 -13.385 4.395 6.939 1.00 52.44 C ATOM 871 CG GLU A 43 -13.457 2.947 7.377 1.00 11.51 C ATOM 872 CD GLU A 43 -12.240 2.521 8.172 1.00 4.24 C ATOM 873 OE1 GLU A 43 -12.159 2.870 9.368 1.00 12.14 O ATOM 874 OE2 GLU A 43 -11.363 1.842 7.598 1.00 11.50 O ATOM 0 H GLU A 43 -10.985 4.368 5.374 1.00 44.32 H new ATOM 0 HA GLU A 43 -13.886 4.130 4.888 1.00 55.23 H new ATOM 0 HB2 GLU A 43 -12.625 4.909 7.528 1.00 52.44 H new ATOM 0 HB3 GLU A 43 -14.337 4.881 7.154 1.00 52.44 H new ATOM 0 HG2 GLU A 43 -14.352 2.797 7.981 1.00 11.51 H new ATOM 0 HG3 GLU A 43 -13.555 2.309 6.498 1.00 11.51 H new ATOM 881 N GLY A 44 -13.011 6.314 3.827 1.00 54.53 N ATOM 882 CA GLY A 44 -12.879 7.678 3.341 1.00 74.33 C ATOM 883 C GLY A 44 -11.531 7.961 2.733 1.00 73.43 C ATOM 884 O GLY A 44 -11.108 7.302 1.784 1.00 0.12 O ATOM 0 H GLY A 44 -13.174 5.618 3.099 1.00 54.53 H new ATOM 0 HA2 GLY A 44 -13.653 7.869 2.598 1.00 74.33 H new ATOM 0 HA3 GLY A 44 -13.051 8.369 4.166 1.00 74.33 H new ATOM 888 N ASN A 45 -10.862 8.944 3.293 1.00 43.43 N ATOM 889 CA ASN A 45 -9.543 9.344 2.838 1.00 4.35 C ATOM 890 C ASN A 45 -8.490 8.892 3.846 1.00 15.04 C ATOM 891 O ASN A 45 -7.358 9.377 3.849 1.00 13.00 O ATOM 892 CB ASN A 45 -9.517 10.863 2.621 1.00 51.14 C ATOM 893 CG ASN A 45 -8.795 11.633 3.716 1.00 52.31 C ATOM 894 OD1 ASN A 45 -9.187 11.587 4.883 1.00 72.44 O ATOM 895 ND2 ASN A 45 -7.736 12.346 3.342 1.00 42.33 N ATOM 0 H ASN A 45 -11.215 9.491 4.078 1.00 43.43 H new ATOM 0 HA ASN A 45 -9.312 8.866 1.886 1.00 4.35 H new ATOM 0 HB2 ASN A 45 -9.037 11.075 1.665 1.00 51.14 H new ATOM 0 HB3 ASN A 45 -10.542 11.227 2.551 1.00 51.14 H new ATOM 0 HD21 ASN A 45 -7.213 12.884 4.033 1.00 42.33 H new ATOM 0 HD22 ASN A 45 -7.447 12.355 2.364 1.00 42.33 H new ATOM 902 N LYS A 46 -8.880 7.935 4.689 1.00 21.13 N ATOM 903 CA LYS A 46 -7.993 7.389 5.704 1.00 43.55 C ATOM 904 C LYS A 46 -7.942 5.876 5.578 1.00 42.34 C ATOM 905 O LYS A 46 -8.940 5.186 5.804 1.00 1.03 O ATOM 906 CB LYS A 46 -8.459 7.808 7.102 1.00 0.23 C ATOM 907 CG LYS A 46 -7.759 7.074 8.240 1.00 40.04 C ATOM 908 CD LYS A 46 -8.755 6.523 9.250 1.00 20.10 C ATOM 909 CE LYS A 46 -9.219 5.122 8.876 1.00 4.01 C ATOM 910 NZ LYS A 46 -9.854 4.419 10.026 1.00 33.42 N ATOM 0 H LYS A 46 -9.813 7.523 4.684 1.00 21.13 H new ATOM 0 HA LYS A 46 -6.989 7.785 5.554 1.00 43.55 H new ATOM 0 HB2 LYS A 46 -8.296 8.879 7.221 1.00 0.23 H new ATOM 0 HB3 LYS A 46 -9.533 7.638 7.181 1.00 0.23 H new ATOM 0 HG2 LYS A 46 -7.163 6.257 7.834 1.00 40.04 H new ATOM 0 HG3 LYS A 46 -7.070 7.753 8.742 1.00 40.04 H new ATOM 0 HD2 LYS A 46 -8.297 6.503 10.239 1.00 20.10 H new ATOM 0 HD3 LYS A 46 -9.617 7.188 9.311 1.00 20.10 H new ATOM 0 HE2 LYS A 46 -9.929 5.183 8.052 1.00 4.01 H new ATOM 0 HE3 LYS A 46 -8.368 4.541 8.521 1.00 4.01 H new ATOM 0 HZ1 LYS A 46 -10.681 3.884 9.692 1.00 33.42 H new ATOM 0 HZ2 LYS A 46 -9.168 3.765 10.454 1.00 33.42 H new ATOM 0 HZ3 LYS A 46 -10.157 5.117 10.735 1.00 33.42 H new ATOM 924 N PHE A 47 -6.782 5.371 5.191 1.00 54.12 N ATOM 925 CA PHE A 47 -6.597 3.943 5.004 1.00 23.11 C ATOM 926 C PHE A 47 -5.787 3.331 6.131 1.00 33.44 C ATOM 927 O PHE A 47 -4.829 3.932 6.626 1.00 43.04 O ATOM 928 CB PHE A 47 -5.903 3.688 3.673 1.00 1.40 C ATOM 929 CG PHE A 47 -6.569 2.647 2.831 1.00 51.31 C ATOM 930 CD1 PHE A 47 -6.753 1.366 3.313 1.00 71.12 C ATOM 931 CD2 PHE A 47 -7.016 2.956 1.556 1.00 62.42 C ATOM 932 CE1 PHE A 47 -7.373 0.408 2.538 1.00 25.43 C ATOM 933 CE2 PHE A 47 -7.636 2.001 0.774 1.00 40.13 C ATOM 934 CZ PHE A 47 -7.815 0.724 1.266 1.00 72.21 C ATOM 0 H PHE A 47 -5.952 5.932 5.000 1.00 54.12 H new ATOM 0 HA PHE A 47 -7.580 3.473 5.007 1.00 23.11 H new ATOM 0 HB2 PHE A 47 -5.860 4.622 3.112 1.00 1.40 H new ATOM 0 HB3 PHE A 47 -4.874 3.383 3.864 1.00 1.40 H new ATOM 0 HD1 PHE A 47 -6.409 1.112 4.305 1.00 71.12 H new ATOM 0 HD2 PHE A 47 -6.878 3.955 1.169 1.00 62.42 H new ATOM 0 HE1 PHE A 47 -7.514 -0.590 2.925 1.00 25.43 H new ATOM 0 HE2 PHE A 47 -7.979 2.253 -0.219 1.00 40.13 H new ATOM 0 HZ PHE A 47 -8.299 -0.027 0.659 1.00 72.21 H new ATOM 944 N THR A 48 -6.167 2.118 6.508 1.00 41.33 N ATOM 945 CA THR A 48 -5.469 1.392 7.556 1.00 22.53 C ATOM 946 C THR A 48 -5.185 -0.030 7.106 1.00 32.44 C ATOM 947 O THR A 48 -6.100 -0.774 6.743 1.00 34.13 O ATOM 948 CB THR A 48 -6.267 1.393 8.866 1.00 32.31 C ATOM 949 OG1 THR A 48 -6.392 2.710 9.374 1.00 52.13 O ATOM 950 CG2 THR A 48 -5.640 0.540 9.956 1.00 42.12 C ATOM 0 H THR A 48 -6.957 1.616 6.102 1.00 41.33 H new ATOM 0 HA THR A 48 -4.523 1.899 7.746 1.00 22.53 H new ATOM 0 HB THR A 48 -7.239 0.970 8.611 1.00 32.31 H new ATOM 0 HG1 THR A 48 -6.905 2.691 10.209 1.00 52.13 H new ATOM 0 HG21 THR A 48 -6.256 0.586 10.854 1.00 42.12 H new ATOM 0 HG22 THR A 48 -5.572 -0.493 9.616 1.00 42.12 H new ATOM 0 HG23 THR A 48 -4.641 0.914 10.181 1.00 42.12 H new ATOM 958 N VAL A 49 -3.909 -0.393 7.118 1.00 51.55 N ATOM 959 CA VAL A 49 -3.491 -1.717 6.701 1.00 11.04 C ATOM 960 C VAL A 49 -2.654 -2.400 7.777 1.00 32.14 C ATOM 961 O VAL A 49 -1.767 -1.785 8.376 1.00 64.22 O ATOM 962 CB VAL A 49 -2.691 -1.657 5.385 1.00 63.23 C ATOM 963 CG1 VAL A 49 -3.600 -1.275 4.225 1.00 24.14 C ATOM 964 CG2 VAL A 49 -1.527 -0.681 5.494 1.00 12.03 C ATOM 0 H VAL A 49 -3.146 0.216 7.414 1.00 51.55 H new ATOM 0 HA VAL A 49 -4.396 -2.302 6.539 1.00 11.04 H new ATOM 0 HB VAL A 49 -2.282 -2.649 5.195 1.00 63.23 H new ATOM 0 HG11 VAL A 49 -3.018 -1.237 3.304 1.00 24.14 H new ATOM 0 HG12 VAL A 49 -4.392 -2.017 4.124 1.00 24.14 H new ATOM 0 HG13 VAL A 49 -4.041 -0.297 4.415 1.00 24.14 H new ATOM 0 HG21 VAL A 49 -0.981 -0.660 4.551 1.00 12.03 H new ATOM 0 HG22 VAL A 49 -1.908 0.316 5.716 1.00 12.03 H new ATOM 0 HG23 VAL A 49 -0.858 -1.000 6.293 1.00 12.03 H new ATOM 974 N LYS A 50 -2.947 -3.676 8.013 1.00 51.25 N ATOM 975 CA LYS A 50 -2.230 -4.462 9.011 1.00 34.22 C ATOM 976 C LYS A 50 -1.202 -5.365 8.335 1.00 73.11 C ATOM 977 O LYS A 50 -1.547 -6.169 7.464 1.00 25.42 O ATOM 978 CB LYS A 50 -3.213 -5.299 9.836 1.00 34.45 C ATOM 979 CG LYS A 50 -2.681 -5.701 11.205 1.00 53.15 C ATOM 980 CD LYS A 50 -3.795 -5.769 12.241 1.00 3.50 C ATOM 981 CE LYS A 50 -3.975 -4.439 12.959 1.00 13.15 C ATOM 982 NZ LYS A 50 -5.411 -4.121 13.207 1.00 34.21 N ATOM 0 H LYS A 50 -3.680 -4.189 7.523 1.00 51.25 H new ATOM 0 HA LYS A 50 -1.707 -3.780 9.681 1.00 34.22 H new ATOM 0 HB2 LYS A 50 -4.136 -4.734 9.967 1.00 34.45 H new ATOM 0 HB3 LYS A 50 -3.467 -6.199 9.277 1.00 34.45 H new ATOM 0 HG2 LYS A 50 -2.189 -6.671 11.134 1.00 53.15 H new ATOM 0 HG3 LYS A 50 -1.926 -4.984 11.528 1.00 53.15 H new ATOM 0 HD2 LYS A 50 -4.729 -6.049 11.754 1.00 3.50 H new ATOM 0 HD3 LYS A 50 -3.569 -6.548 12.969 1.00 3.50 H new ATOM 0 HE2 LYS A 50 -3.442 -4.466 13.909 1.00 13.15 H new ATOM 0 HE3 LYS A 50 -3.526 -3.644 12.364 1.00 13.15 H new ATOM 0 HZ1 LYS A 50 -5.526 -3.092 13.309 1.00 34.21 H new ATOM 0 HZ2 LYS A 50 -5.984 -4.456 12.406 1.00 34.21 H new ATOM 0 HZ3 LYS A 50 -5.725 -4.592 14.079 1.00 34.21 H new ATOM 996 N GLU A 51 0.061 -5.220 8.733 1.00 41.41 N ATOM 997 CA GLU A 51 1.144 -6.014 8.165 1.00 2.42 C ATOM 998 C GLU A 51 1.889 -6.774 9.255 1.00 40.32 C ATOM 999 O GLU A 51 2.209 -6.212 10.305 1.00 43.43 O ATOM 1000 CB GLU A 51 2.125 -5.115 7.412 1.00 24.43 C ATOM 1001 CG GLU A 51 1.590 -4.593 6.086 1.00 2.05 C ATOM 1002 CD GLU A 51 2.682 -4.052 5.177 1.00 1.34 C ATOM 1003 OE1 GLU A 51 3.817 -3.841 5.659 1.00 43.54 O ATOM 1004 OE2 GLU A 51 2.399 -3.835 3.981 1.00 61.22 O ATOM 0 H GLU A 51 0.358 -4.557 9.449 1.00 41.41 H new ATOM 0 HA GLU A 51 0.705 -6.731 7.472 1.00 2.42 H new ATOM 0 HB2 GLU A 51 2.386 -4.268 8.046 1.00 24.43 H new ATOM 0 HB3 GLU A 51 3.044 -5.671 7.228 1.00 24.43 H new ATOM 0 HG2 GLU A 51 1.062 -5.396 5.572 1.00 2.05 H new ATOM 0 HG3 GLU A 51 0.862 -3.805 6.279 1.00 2.05 H new ATOM 1011 N SER A 52 2.168 -8.050 9.000 1.00 34.51 N ATOM 1012 CA SER A 52 2.883 -8.881 9.960 1.00 24.54 C ATOM 1013 C SER A 52 4.078 -9.563 9.299 1.00 41.21 C ATOM 1014 O SER A 52 4.011 -9.964 8.134 1.00 12.32 O ATOM 1015 CB SER A 52 1.946 -9.924 10.581 1.00 0.53 C ATOM 1016 OG SER A 52 0.863 -10.236 9.718 1.00 74.44 O ATOM 0 H SER A 52 1.909 -8.529 8.137 1.00 34.51 H new ATOM 0 HA SER A 52 3.253 -8.235 10.757 1.00 24.54 H new ATOM 0 HB2 SER A 52 2.508 -10.831 10.803 1.00 0.53 H new ATOM 0 HB3 SER A 52 1.560 -9.548 11.528 1.00 0.53 H new ATOM 0 HG SER A 52 0.287 -10.905 10.144 1.00 74.44 H new ATOM 1022 N SER A 53 5.172 -9.686 10.052 1.00 31.11 N ATOM 1023 CA SER A 53 6.392 -10.313 9.551 1.00 14.42 C ATOM 1024 C SER A 53 6.892 -11.395 10.511 1.00 73.11 C ATOM 1025 O SER A 53 6.274 -11.656 11.546 1.00 45.21 O ATOM 1026 CB SER A 53 7.482 -9.255 9.333 1.00 24.21 C ATOM 1027 OG SER A 53 7.878 -8.656 10.557 1.00 41.33 O ATOM 0 H SER A 53 5.236 -9.357 11.015 1.00 31.11 H new ATOM 0 HA SER A 53 6.160 -10.787 8.597 1.00 14.42 H new ATOM 0 HB2 SER A 53 8.347 -9.715 8.855 1.00 24.21 H new ATOM 0 HB3 SER A 53 7.114 -8.487 8.653 1.00 24.21 H new ATOM 0 HG SER A 53 7.137 -8.698 11.197 1.00 41.33 H new ATOM 1033 N ALA A 54 8.011 -12.028 10.154 1.00 53.43 N ATOM 1034 CA ALA A 54 8.593 -13.091 10.974 1.00 52.45 C ATOM 1035 C ALA A 54 9.158 -12.573 12.302 1.00 3.21 C ATOM 1036 O ALA A 54 9.194 -13.314 13.287 1.00 22.41 O ATOM 1037 CB ALA A 54 9.682 -13.813 10.194 1.00 53.02 C ATOM 0 H ALA A 54 8.532 -11.822 9.302 1.00 53.43 H new ATOM 0 HA ALA A 54 7.787 -13.784 11.217 1.00 52.45 H new ATOM 0 HB1 ALA A 54 10.110 -14.602 10.812 1.00 53.02 H new ATOM 0 HB2 ALA A 54 9.254 -14.250 9.292 1.00 53.02 H new ATOM 0 HB3 ALA A 54 10.463 -13.104 9.919 1.00 53.02 H new ATOM 1043 N PHE A 55 9.622 -11.317 12.327 1.00 40.31 N ATOM 1044 CA PHE A 55 10.207 -10.748 13.549 1.00 4.13 C ATOM 1045 C PHE A 55 9.324 -9.681 14.220 1.00 13.44 C ATOM 1046 O PHE A 55 9.659 -9.211 15.310 1.00 34.45 O ATOM 1047 CB PHE A 55 11.603 -10.176 13.262 1.00 55.21 C ATOM 1048 CG PHE A 55 11.686 -9.300 12.044 1.00 23.13 C ATOM 1049 CD1 PHE A 55 11.863 -9.855 10.788 1.00 2.34 C ATOM 1050 CD2 PHE A 55 11.602 -7.922 12.159 1.00 11.33 C ATOM 1051 CE1 PHE A 55 11.951 -9.053 9.667 1.00 64.22 C ATOM 1052 CE2 PHE A 55 11.693 -7.114 11.043 1.00 72.12 C ATOM 1053 CZ PHE A 55 11.867 -7.679 9.795 1.00 72.43 C ATOM 0 H PHE A 55 9.605 -10.683 11.528 1.00 40.31 H new ATOM 0 HA PHE A 55 10.283 -11.573 14.257 1.00 4.13 H new ATOM 0 HB2 PHE A 55 11.930 -9.602 14.129 1.00 55.21 H new ATOM 0 HB3 PHE A 55 12.303 -11.004 13.146 1.00 55.21 H new ATOM 0 HD1 PHE A 55 11.933 -10.928 10.684 1.00 2.34 H new ATOM 0 HD2 PHE A 55 11.464 -7.475 13.132 1.00 11.33 H new ATOM 0 HE1 PHE A 55 12.085 -9.498 8.692 1.00 64.22 H new ATOM 0 HE2 PHE A 55 11.628 -6.041 11.146 1.00 72.12 H new ATOM 0 HZ PHE A 55 11.937 -7.049 8.921 1.00 72.43 H new ATOM 1063 N ARG A 56 8.205 -9.295 13.590 1.00 34.30 N ATOM 1064 CA ARG A 56 7.316 -8.281 14.177 1.00 13.05 C ATOM 1065 C ARG A 56 6.039 -8.087 13.349 1.00 72.24 C ATOM 1066 O ARG A 56 5.796 -8.816 12.389 1.00 13.31 O ATOM 1067 CB ARG A 56 8.057 -6.944 14.316 1.00 13.22 C ATOM 1068 CG ARG A 56 8.334 -6.250 12.990 1.00 32.30 C ATOM 1069 CD ARG A 56 8.187 -4.741 13.113 1.00 24.50 C ATOM 1070 NE ARG A 56 7.650 -4.132 11.896 1.00 53.23 N ATOM 1071 CZ ARG A 56 7.363 -2.833 11.779 1.00 71.23 C ATOM 1072 NH1 ARG A 56 7.549 -2.007 12.808 1.00 1.03 N ATOM 1073 NH2 ARG A 56 6.887 -2.360 10.631 1.00 24.10 N ATOM 0 H ARG A 56 7.897 -9.662 12.689 1.00 34.30 H new ATOM 0 HA ARG A 56 7.020 -8.639 15.163 1.00 13.05 H new ATOM 0 HB2 ARG A 56 7.469 -6.278 14.947 1.00 13.22 H new ATOM 0 HB3 ARG A 56 9.003 -7.116 14.829 1.00 13.22 H new ATOM 0 HG2 ARG A 56 9.342 -6.493 12.654 1.00 32.30 H new ATOM 0 HG3 ARG A 56 7.646 -6.624 12.231 1.00 32.30 H new ATOM 0 HD2 ARG A 56 7.531 -4.510 13.952 1.00 24.50 H new ATOM 0 HD3 ARG A 56 9.159 -4.301 13.338 1.00 24.50 H new ATOM 0 HE ARG A 56 7.485 -4.735 11.090 1.00 53.23 H new ATOM 0 HH11 ARG A 56 7.912 -2.366 13.691 1.00 1.03 H new ATOM 0 HH12 ARG A 56 7.328 -1.016 12.713 1.00 1.03 H new ATOM 0 HH21 ARG A 56 6.742 -2.989 9.841 1.00 24.10 H new ATOM 0 HH22 ARG A 56 6.667 -1.368 10.540 1.00 24.10 H new ATOM 1087 N ASN A 57 5.230 -7.089 13.732 1.00 31.42 N ATOM 1088 CA ASN A 57 3.979 -6.777 13.031 1.00 54.41 C ATOM 1089 C ASN A 57 3.308 -5.544 13.643 1.00 74.24 C ATOM 1090 O ASN A 57 3.166 -5.451 14.864 1.00 24.15 O ATOM 1091 CB ASN A 57 3.017 -7.976 13.062 1.00 24.20 C ATOM 1092 CG ASN A 57 2.298 -8.134 14.390 1.00 73.23 C ATOM 1093 OD1 ASN A 57 2.854 -8.669 15.349 1.00 51.04 O ATOM 1094 ND2 ASN A 57 1.053 -7.672 14.451 1.00 62.42 N ATOM 0 H ASN A 57 5.423 -6.482 14.528 1.00 31.42 H new ATOM 0 HA ASN A 57 4.224 -6.560 11.991 1.00 54.41 H new ATOM 0 HB2 ASN A 57 2.279 -7.861 12.268 1.00 24.20 H new ATOM 0 HB3 ASN A 57 3.576 -8.887 12.848 1.00 24.20 H new ATOM 0 HD21 ASN A 57 0.520 -7.754 15.317 1.00 62.42 H new ATOM 0 HD22 ASN A 57 0.630 -7.235 13.632 1.00 62.42 H new ATOM 1101 N ILE A 58 2.900 -4.597 12.793 1.00 25.12 N ATOM 1102 CA ILE A 58 2.250 -3.372 13.269 1.00 3.13 C ATOM 1103 C ILE A 58 1.152 -2.890 12.317 1.00 64.23 C ATOM 1104 O ILE A 58 1.077 -3.318 11.162 1.00 22.31 O ATOM 1105 CB ILE A 58 3.272 -2.230 13.475 1.00 20.51 C ATOM 1106 CG1 ILE A 58 3.965 -1.866 12.156 1.00 52.23 C ATOM 1107 CG2 ILE A 58 4.298 -2.622 14.526 1.00 75.41 C ATOM 1108 CD1 ILE A 58 4.363 -0.407 12.062 1.00 21.30 C ATOM 0 H ILE A 58 3.007 -4.654 11.780 1.00 25.12 H new ATOM 0 HA ILE A 58 1.795 -3.628 14.226 1.00 3.13 H new ATOM 0 HB ILE A 58 2.732 -1.350 13.825 1.00 20.51 H new ATOM 0 HG12 ILE A 58 4.855 -2.485 12.040 1.00 52.23 H new ATOM 0 HG13 ILE A 58 3.299 -2.106 11.327 1.00 52.23 H new ATOM 0 HG21 ILE A 58 5.011 -1.808 14.660 1.00 75.41 H new ATOM 0 HG22 ILE A 58 3.793 -2.821 15.471 1.00 75.41 H new ATOM 0 HG23 ILE A 58 4.827 -3.518 14.201 1.00 75.41 H new ATOM 0 HD11 ILE A 58 4.847 -0.223 11.103 1.00 21.30 H new ATOM 0 HD12 ILE A 58 3.474 0.219 12.146 1.00 21.30 H new ATOM 0 HD13 ILE A 58 5.054 -0.166 12.870 1.00 21.30 H new ATOM 1120 N GLU A 59 0.313 -1.983 12.822 1.00 54.42 N ATOM 1121 CA GLU A 59 -0.784 -1.407 12.046 1.00 12.40 C ATOM 1122 C GLU A 59 -0.474 0.050 11.710 1.00 51.03 C ATOM 1123 O GLU A 59 -0.059 0.817 12.583 1.00 71.13 O ATOM 1124 CB GLU A 59 -2.091 -1.499 12.839 1.00 32.22 C ATOM 1125 CG GLU A 59 -3.311 -1.009 12.076 1.00 25.31 C ATOM 1126 CD GLU A 59 -4.363 -0.407 12.987 1.00 15.25 C ATOM 1127 OE1 GLU A 59 -4.241 0.790 13.324 1.00 51.24 O ATOM 1128 OE2 GLU A 59 -5.307 -1.133 13.363 1.00 33.42 O ATOM 0 H GLU A 59 0.375 -1.629 13.777 1.00 54.42 H new ATOM 0 HA GLU A 59 -0.896 -1.967 11.118 1.00 12.40 H new ATOM 0 HB2 GLU A 59 -2.252 -2.535 13.135 1.00 32.22 H new ATOM 0 HB3 GLU A 59 -1.990 -0.917 13.755 1.00 32.22 H new ATOM 0 HG2 GLU A 59 -3.002 -0.265 11.342 1.00 25.31 H new ATOM 0 HG3 GLU A 59 -3.747 -1.840 11.522 1.00 25.31 H new ATOM 1135 N VAL A 60 -0.668 0.427 10.446 1.00 43.31 N ATOM 1136 CA VAL A 60 -0.396 1.796 10.011 1.00 60.32 C ATOM 1137 C VAL A 60 -1.660 2.479 9.494 1.00 25.40 C ATOM 1138 O VAL A 60 -2.521 1.839 8.887 1.00 41.11 O ATOM 1139 CB VAL A 60 0.689 1.835 8.909 1.00 33.43 C ATOM 1140 CG1 VAL A 60 0.870 3.251 8.373 1.00 11.33 C ATOM 1141 CG2 VAL A 60 2.011 1.291 9.435 1.00 22.33 C ATOM 0 H VAL A 60 -1.010 -0.192 9.711 1.00 43.31 H new ATOM 0 HA VAL A 60 -0.033 2.335 10.886 1.00 60.32 H new ATOM 0 HB VAL A 60 0.357 1.200 8.088 1.00 33.43 H new ATOM 0 HG11 VAL A 60 1.638 3.252 7.600 1.00 11.33 H new ATOM 0 HG12 VAL A 60 -0.071 3.603 7.950 1.00 11.33 H new ATOM 0 HG13 VAL A 60 1.172 3.912 9.185 1.00 11.33 H new ATOM 0 HG21 VAL A 60 2.760 1.327 8.644 1.00 22.33 H new ATOM 0 HG22 VAL A 60 2.344 1.896 10.278 1.00 22.33 H new ATOM 0 HG23 VAL A 60 1.876 0.259 9.760 1.00 22.33 H new ATOM 1151 N VAL A 61 -1.753 3.787 9.731 1.00 51.31 N ATOM 1152 CA VAL A 61 -2.894 4.578 9.284 1.00 14.14 C ATOM 1153 C VAL A 61 -2.424 5.871 8.620 1.00 23.40 C ATOM 1154 O VAL A 61 -1.618 6.611 9.186 1.00 4.12 O ATOM 1155 CB VAL A 61 -3.851 4.914 10.451 1.00 72.31 C ATOM 1156 CG1 VAL A 61 -3.154 5.757 11.513 1.00 62.11 C ATOM 1157 CG2 VAL A 61 -5.100 5.616 9.933 1.00 63.33 C ATOM 0 H VAL A 61 -1.045 4.322 10.234 1.00 51.31 H new ATOM 0 HA VAL A 61 -3.439 3.974 8.559 1.00 14.14 H new ATOM 0 HB VAL A 61 -4.153 3.977 10.919 1.00 72.31 H new ATOM 0 HG11 VAL A 61 -3.853 5.977 12.320 1.00 62.11 H new ATOM 0 HG12 VAL A 61 -2.301 5.208 11.911 1.00 62.11 H new ATOM 0 HG13 VAL A 61 -2.809 6.690 11.068 1.00 62.11 H new ATOM 0 HG21 VAL A 61 -5.762 5.845 10.768 1.00 63.33 H new ATOM 0 HG22 VAL A 61 -4.816 6.541 9.431 1.00 63.33 H new ATOM 0 HG23 VAL A 61 -5.617 4.965 9.228 1.00 63.33 H new ATOM 1167 N PHE A 62 -2.921 6.130 7.412 1.00 52.13 N ATOM 1168 CA PHE A 62 -2.542 7.327 6.671 1.00 12.54 C ATOM 1169 C PHE A 62 -3.775 8.088 6.177 1.00 3.10 C ATOM 1170 O PHE A 62 -4.907 7.619 6.309 1.00 42.14 O ATOM 1171 CB PHE A 62 -1.645 6.942 5.481 1.00 24.43 C ATOM 1172 CG PHE A 62 -2.336 7.025 4.143 1.00 24.13 C ATOM 1173 CD1 PHE A 62 -3.436 6.228 3.864 1.00 73.34 C ATOM 1174 CD2 PHE A 62 -1.897 7.915 3.177 1.00 32.33 C ATOM 1175 CE1 PHE A 62 -4.082 6.317 2.646 1.00 40.54 C ATOM 1176 CE2 PHE A 62 -2.539 8.005 1.958 1.00 5.22 C ATOM 1177 CZ PHE A 62 -3.632 7.206 1.693 1.00 2.24 C ATOM 0 H PHE A 62 -3.586 5.527 6.928 1.00 52.13 H new ATOM 0 HA PHE A 62 -1.990 7.984 7.343 1.00 12.54 H new ATOM 0 HB2 PHE A 62 -0.773 7.596 5.470 1.00 24.43 H new ATOM 0 HB3 PHE A 62 -1.280 5.926 5.628 1.00 24.43 H new ATOM 0 HD1 PHE A 62 -3.792 5.530 4.607 1.00 73.34 H new ATOM 0 HD2 PHE A 62 -1.044 8.545 3.379 1.00 32.33 H new ATOM 0 HE1 PHE A 62 -4.938 5.691 2.441 1.00 40.54 H new ATOM 0 HE2 PHE A 62 -2.185 8.701 1.212 1.00 5.22 H new ATOM 0 HZ PHE A 62 -4.135 7.277 0.740 1.00 2.24 H new ATOM 1187 N GLU A 63 -3.528 9.251 5.580 1.00 63.42 N ATOM 1188 CA GLU A 63 -4.585 10.085 5.024 1.00 3.42 C ATOM 1189 C GLU A 63 -4.126 10.662 3.690 1.00 41.15 C ATOM 1190 O GLU A 63 -3.005 11.168 3.584 1.00 14.31 O ATOM 1191 CB GLU A 63 -4.949 11.215 5.987 1.00 15.30 C ATOM 1192 CG GLU A 63 -6.163 10.915 6.851 1.00 5.21 C ATOM 1193 CD GLU A 63 -6.031 11.477 8.255 1.00 21.41 C ATOM 1194 OE1 GLU A 63 -5.809 12.701 8.390 1.00 73.55 O ATOM 1195 OE2 GLU A 63 -6.145 10.695 9.221 1.00 23.24 O ATOM 0 H GLU A 63 -2.591 9.639 5.469 1.00 63.42 H new ATOM 0 HA GLU A 63 -5.473 9.471 4.870 1.00 3.42 H new ATOM 0 HB2 GLU A 63 -4.095 11.418 6.634 1.00 15.30 H new ATOM 0 HB3 GLU A 63 -5.138 12.122 5.413 1.00 15.30 H new ATOM 0 HG2 GLU A 63 -7.053 11.331 6.379 1.00 5.21 H new ATOM 0 HG3 GLU A 63 -6.307 9.836 6.907 1.00 5.21 H new ATOM 1202 N LEU A 64 -4.979 10.575 2.671 1.00 41.24 N ATOM 1203 CA LEU A 64 -4.628 11.086 1.348 1.00 25.31 C ATOM 1204 C LEU A 64 -4.297 12.575 1.407 1.00 64.21 C ATOM 1205 O LEU A 64 -5.184 13.414 1.575 1.00 75.33 O ATOM 1206 CB LEU A 64 -5.761 10.847 0.342 1.00 72.43 C ATOM 1207 CG LEU A 64 -5.846 9.431 -0.239 1.00 43.35 C ATOM 1208 CD1 LEU A 64 -6.951 9.354 -1.280 1.00 25.50 C ATOM 1209 CD2 LEU A 64 -4.514 9.020 -0.851 1.00 34.21 C ATOM 0 H LEU A 64 -5.909 10.160 2.734 1.00 41.24 H new ATOM 0 HA LEU A 64 -3.745 10.541 1.014 1.00 25.31 H new ATOM 0 HB2 LEU A 64 -6.709 11.078 0.828 1.00 72.43 H new ATOM 0 HB3 LEU A 64 -5.645 11.552 -0.482 1.00 72.43 H new ATOM 0 HG LEU A 64 -6.079 8.740 0.571 1.00 43.35 H new ATOM 0 HD11 LEU A 64 -7.000 8.343 -1.684 1.00 25.50 H new ATOM 0 HD12 LEU A 64 -7.905 9.607 -0.817 1.00 25.50 H new ATOM 0 HD13 LEU A 64 -6.741 10.057 -2.086 1.00 25.50 H new ATOM 0 HD21 LEU A 64 -4.596 8.012 -1.258 1.00 34.21 H new ATOM 0 HD22 LEU A 64 -4.251 9.713 -1.650 1.00 34.21 H new ATOM 0 HD23 LEU A 64 -3.740 9.040 -0.084 1.00 34.21 H new ATOM 1221 N GLY A 65 -3.013 12.887 1.253 1.00 13.13 N ATOM 1222 CA GLY A 65 -2.563 14.272 1.272 1.00 61.23 C ATOM 1223 C GLY A 65 -2.153 14.775 2.651 1.00 33.40 C ATOM 1224 O GLY A 65 -2.159 15.983 2.887 1.00 31.14 O ATOM 0 H GLY A 65 -2.270 12.202 1.114 1.00 13.13 H new ATOM 0 HA2 GLY A 65 -1.717 14.377 0.593 1.00 61.23 H new ATOM 0 HA3 GLY A 65 -3.361 14.907 0.888 1.00 61.23 H new ATOM 1228 N VAL A 66 -1.791 13.864 3.562 1.00 54.12 N ATOM 1229 CA VAL A 66 -1.372 14.254 4.913 1.00 53.02 C ATOM 1230 C VAL A 66 0.031 13.731 5.230 1.00 43.05 C ATOM 1231 O VAL A 66 0.205 12.549 5.527 1.00 34.55 O ATOM 1232 CB VAL A 66 -2.362 13.746 5.984 1.00 4.02 C ATOM 1233 CG1 VAL A 66 -2.027 14.329 7.350 1.00 63.24 C ATOM 1234 CG2 VAL A 66 -3.793 14.085 5.591 1.00 60.25 C ATOM 0 H VAL A 66 -1.780 12.859 3.390 1.00 54.12 H new ATOM 0 HA VAL A 66 -1.360 15.344 4.936 1.00 53.02 H new ATOM 0 HB VAL A 66 -2.270 12.662 6.047 1.00 4.02 H new ATOM 0 HG11 VAL A 66 -2.737 13.957 8.088 1.00 63.24 H new ATOM 0 HG12 VAL A 66 -1.018 14.031 7.635 1.00 63.24 H new ATOM 0 HG13 VAL A 66 -2.085 15.417 7.306 1.00 63.24 H new ATOM 0 HG21 VAL A 66 -4.477 13.720 6.357 1.00 60.25 H new ATOM 0 HG22 VAL A 66 -3.898 15.166 5.496 1.00 60.25 H new ATOM 0 HG23 VAL A 66 -4.030 13.613 4.638 1.00 60.25 H new ATOM 1244 N THR A 67 1.027 14.615 5.163 1.00 22.33 N ATOM 1245 CA THR A 67 2.414 14.234 5.436 1.00 62.25 C ATOM 1246 C THR A 67 2.651 13.991 6.924 1.00 44.54 C ATOM 1247 O THR A 67 2.376 14.856 7.757 1.00 11.02 O ATOM 1248 CB THR A 67 3.387 15.301 4.916 1.00 75.24 C ATOM 1249 OG1 THR A 67 3.290 15.425 3.506 1.00 3.31 O ATOM 1250 CG2 THR A 67 4.840 15.007 5.247 1.00 44.42 C ATOM 0 H THR A 67 0.900 15.598 4.923 1.00 22.33 H new ATOM 0 HA THR A 67 2.600 13.299 4.908 1.00 62.25 H new ATOM 0 HB THR A 67 3.095 16.223 5.419 1.00 75.24 H new ATOM 0 HG1 THR A 67 3.917 16.111 3.194 1.00 3.31 H new ATOM 0 HG21 THR A 67 5.472 15.802 4.850 1.00 44.42 H new ATOM 0 HG22 THR A 67 4.963 14.952 6.329 1.00 44.42 H new ATOM 0 HG23 THR A 67 5.130 14.056 4.801 1.00 44.42 H new ATOM 1258 N PHE A 68 3.180 12.808 7.246 1.00 31.50 N ATOM 1259 CA PHE A 68 3.476 12.451 8.631 1.00 0.00 C ATOM 1260 C PHE A 68 4.832 11.747 8.727 1.00 75.51 C ATOM 1261 O PHE A 68 5.394 11.321 7.714 1.00 12.33 O ATOM 1262 CB PHE A 68 2.347 11.590 9.227 1.00 52.04 C ATOM 1263 CG PHE A 68 2.528 10.102 9.077 1.00 41.54 C ATOM 1264 CD1 PHE A 68 3.249 9.380 10.015 1.00 20.41 C ATOM 1265 CD2 PHE A 68 1.964 9.426 8.009 1.00 12.23 C ATOM 1266 CE1 PHE A 68 3.407 8.013 9.888 1.00 5.12 C ATOM 1267 CE2 PHE A 68 2.116 8.059 7.878 1.00 43.01 C ATOM 1268 CZ PHE A 68 2.839 7.352 8.818 1.00 44.54 C ATOM 0 H PHE A 68 3.411 12.084 6.566 1.00 31.50 H new ATOM 0 HA PHE A 68 3.535 13.366 9.220 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.255 11.824 10.288 1.00 52.04 H new ATOM 0 HB3 PHE A 68 1.407 11.875 8.755 1.00 52.04 H new ATOM 0 HD1 PHE A 68 3.693 9.892 10.856 1.00 20.41 H new ATOM 0 HD2 PHE A 68 1.399 9.973 7.269 1.00 12.23 H new ATOM 0 HE1 PHE A 68 3.974 7.463 10.625 1.00 5.12 H new ATOM 0 HE2 PHE A 68 1.669 7.544 7.041 1.00 43.01 H new ATOM 0 HZ PHE A 68 2.960 6.284 8.716 1.00 44.54 H new ATOM 1278 N ASN A 69 5.363 11.650 9.945 1.00 43.12 N ATOM 1279 CA ASN A 69 6.662 11.025 10.170 1.00 25.13 C ATOM 1280 C ASN A 69 6.533 9.535 10.495 1.00 33.41 C ATOM 1281 O ASN A 69 5.853 9.152 11.450 1.00 42.23 O ATOM 1282 CB ASN A 69 7.398 11.745 11.303 1.00 45.42 C ATOM 1283 CG ASN A 69 8.702 11.072 11.667 1.00 0.14 C ATOM 1284 OD1 ASN A 69 9.758 11.426 11.147 1.00 45.12 O ATOM 1285 ND2 ASN A 69 8.636 10.092 12.564 1.00 22.53 N ATOM 0 H ASN A 69 4.912 11.997 10.791 1.00 43.12 H new ATOM 0 HA ASN A 69 7.234 11.112 9.246 1.00 25.13 H new ATOM 0 HB2 ASN A 69 7.595 12.775 11.007 1.00 45.42 H new ATOM 0 HB3 ASN A 69 6.755 11.784 12.182 1.00 45.42 H new ATOM 0 HD21 ASN A 69 9.484 9.601 12.846 1.00 22.53 H new ATOM 0 HD22 ASN A 69 7.737 9.832 12.970 1.00 22.53 H new ATOM 1292 N TYR A 70 7.213 8.706 9.703 1.00 24.33 N ATOM 1293 CA TYR A 70 7.203 7.259 9.904 1.00 33.55 C ATOM 1294 C TYR A 70 8.588 6.773 10.328 1.00 23.32 C ATOM 1295 O TYR A 70 9.600 7.182 9.751 1.00 71.21 O ATOM 1296 CB TYR A 70 6.760 6.547 8.622 1.00 55.41 C ATOM 1297 CG TYR A 70 6.639 5.046 8.763 1.00 73.43 C ATOM 1298 CD1 TYR A 70 5.451 4.463 9.181 1.00 51.04 C ATOM 1299 CD2 TYR A 70 7.713 4.214 8.475 1.00 40.22 C ATOM 1300 CE1 TYR A 70 5.334 3.093 9.309 1.00 13.53 C ATOM 1301 CE2 TYR A 70 7.605 2.843 8.599 1.00 25.40 C ATOM 1302 CZ TYR A 70 6.413 2.287 9.016 1.00 2.22 C ATOM 1303 OH TYR A 70 6.301 0.919 9.143 1.00 53.12 O ATOM 0 H TYR A 70 7.780 9.015 8.913 1.00 24.33 H new ATOM 0 HA TYR A 70 6.493 7.023 10.697 1.00 33.55 H new ATOM 0 HB2 TYR A 70 5.798 6.951 8.308 1.00 55.41 H new ATOM 0 HB3 TYR A 70 7.474 6.771 7.829 1.00 55.41 H new ATOM 0 HD1 TYR A 70 4.603 5.092 9.410 1.00 51.04 H new ATOM 0 HD2 TYR A 70 8.648 4.646 8.149 1.00 40.22 H new ATOM 0 HE1 TYR A 70 4.402 2.656 9.637 1.00 13.53 H new ATOM 0 HE2 TYR A 70 8.449 2.209 8.371 1.00 25.40 H new ATOM 0 HH TYR A 70 7.151 0.497 8.897 1.00 53.12 H new ATOM 1313 N ASN A 71 8.629 5.904 11.339 1.00 0.22 N ATOM 1314 CA ASN A 71 9.895 5.371 11.841 1.00 4.24 C ATOM 1315 C ASN A 71 10.143 3.949 11.340 1.00 61.42 C ATOM 1316 O ASN A 71 9.204 3.210 11.039 1.00 34.32 O ATOM 1317 CB ASN A 71 9.915 5.397 13.371 1.00 22.50 C ATOM 1318 CG ASN A 71 10.226 6.777 13.918 1.00 0.31 C ATOM 1319 OD1 ASN A 71 9.324 7.578 14.158 1.00 1.51 O ATOM 1320 ND2 ASN A 71 11.508 7.064 14.117 1.00 31.50 N ATOM 0 H ASN A 71 7.803 5.555 11.825 1.00 0.22 H new ATOM 0 HA ASN A 71 10.694 6.007 11.460 1.00 4.24 H new ATOM 0 HB2 ASN A 71 8.948 5.067 13.751 1.00 22.50 H new ATOM 0 HB3 ASN A 71 10.659 4.688 13.735 1.00 22.50 H new ATOM 0 HD21 ASN A 71 11.775 7.978 14.482 1.00 31.50 H new ATOM 0 HD22 ASN A 71 12.225 6.370 13.905 1.00 31.50 H new ATOM 1327 N LEU A 72 11.421 3.579 11.256 1.00 4.10 N ATOM 1328 CA LEU A 72 11.822 2.252 10.793 1.00 63.14 C ATOM 1329 C LEU A 72 12.152 1.331 11.970 1.00 51.42 C ATOM 1330 O LEU A 72 12.133 1.755 13.127 1.00 45.31 O ATOM 1331 CB LEU A 72 13.035 2.367 9.865 1.00 43.25 C ATOM 1332 CG LEU A 72 12.715 2.793 8.431 1.00 71.12 C ATOM 1333 CD1 LEU A 72 13.913 3.483 7.797 1.00 33.34 C ATOM 1334 CD2 LEU A 72 12.290 1.592 7.601 1.00 72.12 C ATOM 0 H LEU A 72 12.202 4.186 11.505 1.00 4.10 H new ATOM 0 HA LEU A 72 10.986 1.817 10.246 1.00 63.14 H new ATOM 0 HB2 LEU A 72 13.734 3.085 10.294 1.00 43.25 H new ATOM 0 HB3 LEU A 72 13.544 1.404 9.837 1.00 43.25 H new ATOM 0 HG LEU A 72 11.888 3.502 8.460 1.00 71.12 H new ATOM 0 HD11 LEU A 72 13.665 3.778 6.777 1.00 33.34 H new ATOM 0 HD12 LEU A 72 14.173 4.368 8.378 1.00 33.34 H new ATOM 0 HD13 LEU A 72 14.761 2.798 7.780 1.00 33.34 H new ATOM 0 HD21 LEU A 72 12.066 1.914 6.584 1.00 72.12 H new ATOM 0 HD22 LEU A 72 13.097 0.860 7.581 1.00 72.12 H new ATOM 0 HD23 LEU A 72 11.402 1.141 8.043 1.00 72.12 H new ATOM 1346 N ALA A 73 12.456 0.069 11.663 1.00 21.44 N ATOM 1347 CA ALA A 73 12.792 -0.918 12.690 1.00 34.41 C ATOM 1348 C ALA A 73 14.054 -0.526 13.467 1.00 52.04 C ATOM 1349 O ALA A 73 14.189 -0.858 14.646 1.00 12.52 O ATOM 1350 CB ALA A 73 12.966 -2.295 12.060 1.00 51.52 C ATOM 0 H ALA A 73 12.476 -0.294 10.710 1.00 21.44 H new ATOM 0 HA ALA A 73 11.966 -0.949 13.400 1.00 34.41 H new ATOM 0 HB1 ALA A 73 13.216 -3.020 12.834 1.00 51.52 H new ATOM 0 HB2 ALA A 73 12.038 -2.591 11.571 1.00 51.52 H new ATOM 0 HB3 ALA A 73 13.769 -2.259 11.324 1.00 51.52 H new ATOM 1356 N ASP A 74 14.978 0.172 12.802 1.00 74.13 N ATOM 1357 CA ASP A 74 16.228 0.592 13.439 1.00 25.12 C ATOM 1358 C ASP A 74 16.090 1.945 14.150 1.00 64.22 C ATOM 1359 O ASP A 74 16.930 2.294 14.981 1.00 4.40 O ATOM 1360 CB ASP A 74 17.354 0.660 12.405 1.00 60.12 C ATOM 1361 CG ASP A 74 17.525 -0.641 11.646 1.00 61.21 C ATOM 1362 OD1 ASP A 74 18.143 -1.574 12.201 1.00 5.34 O ATOM 1363 OD2 ASP A 74 17.039 -0.728 10.498 1.00 1.00 O ATOM 0 H ASP A 74 14.885 0.457 11.827 1.00 74.13 H new ATOM 0 HA ASP A 74 16.471 -0.155 14.195 1.00 25.12 H new ATOM 0 HB2 ASP A 74 17.146 1.464 11.699 1.00 60.12 H new ATOM 0 HB3 ASP A 74 18.289 0.910 12.907 1.00 60.12 H new ATOM 1368 N GLY A 75 15.032 2.700 13.833 1.00 41.01 N ATOM 1369 CA GLY A 75 14.828 3.993 14.471 1.00 0.13 C ATOM 1370 C GLY A 75 14.818 5.167 13.499 1.00 72.32 C ATOM 1371 O GLY A 75 14.435 6.274 13.883 1.00 65.34 O ATOM 0 H GLY A 75 14.320 2.440 13.151 1.00 41.01 H new ATOM 0 HA2 GLY A 75 13.882 3.975 15.013 1.00 0.13 H new ATOM 0 HA3 GLY A 75 15.615 4.151 15.208 1.00 0.13 H new ATOM 1375 N THR A 76 15.226 4.942 12.244 1.00 71.52 N ATOM 1376 CA THR A 76 15.241 6.014 11.245 1.00 14.02 C ATOM 1377 C THR A 76 13.829 6.542 11.006 1.00 24.24 C ATOM 1378 O THR A 76 12.876 5.768 10.923 1.00 72.14 O ATOM 1379 CB THR A 76 15.844 5.526 9.920 1.00 43.14 C ATOM 1380 OG1 THR A 76 16.989 4.719 10.148 1.00 2.34 O ATOM 1381 CG2 THR A 76 16.252 6.658 8.992 1.00 5.13 C ATOM 0 H THR A 76 15.547 4.037 11.900 1.00 71.52 H new ATOM 0 HA THR A 76 15.863 6.821 11.632 1.00 14.02 H new ATOM 0 HB THR A 76 15.051 4.952 9.440 1.00 43.14 H new ATOM 0 HG1 THR A 76 17.354 4.419 9.289 1.00 2.34 H new ATOM 0 HG21 THR A 76 16.670 6.244 8.075 1.00 5.13 H new ATOM 0 HG22 THR A 76 15.378 7.264 8.751 1.00 5.13 H new ATOM 0 HG23 THR A 76 17.000 7.280 9.484 1.00 5.13 H new ATOM 1389 N GLU A 77 13.700 7.862 10.902 1.00 21.10 N ATOM 1390 CA GLU A 77 12.399 8.491 10.681 1.00 65.25 C ATOM 1391 C GLU A 77 12.371 9.251 9.357 1.00 53.33 C ATOM 1392 O GLU A 77 13.179 10.155 9.133 1.00 12.43 O ATOM 1393 CB GLU A 77 12.050 9.436 11.837 1.00 4.23 C ATOM 1394 CG GLU A 77 13.256 10.084 12.506 1.00 42.22 C ATOM 1395 CD GLU A 77 12.922 10.705 13.849 1.00 55.32 C ATOM 1396 OE1 GLU A 77 12.337 10.003 14.700 1.00 73.52 O ATOM 1397 OE2 GLU A 77 13.250 11.894 14.050 1.00 41.12 O ATOM 0 H GLU A 77 14.479 8.517 10.967 1.00 21.10 H new ATOM 0 HA GLU A 77 11.652 7.698 10.637 1.00 65.25 H new ATOM 0 HB2 GLU A 77 11.392 10.221 11.463 1.00 4.23 H new ATOM 0 HB3 GLU A 77 11.488 8.880 12.588 1.00 4.23 H new ATOM 0 HG2 GLU A 77 14.036 9.335 12.642 1.00 42.22 H new ATOM 0 HG3 GLU A 77 13.662 10.852 11.847 1.00 42.22 H new ATOM 1404 N LEU A 78 11.429 8.882 8.487 1.00 44.02 N ATOM 1405 CA LEU A 78 11.285 9.532 7.185 1.00 74.41 C ATOM 1406 C LEU A 78 9.968 10.296 7.115 1.00 65.44 C ATOM 1407 O LEU A 78 8.992 9.925 7.771 1.00 53.24 O ATOM 1408 CB LEU A 78 11.333 8.512 6.030 1.00 53.34 C ATOM 1409 CG LEU A 78 12.163 7.239 6.259 1.00 24.10 C ATOM 1410 CD1 LEU A 78 13.483 7.552 6.950 1.00 43.13 C ATOM 1411 CD2 LEU A 78 11.362 6.215 7.051 1.00 53.31 C ATOM 0 H LEU A 78 10.755 8.137 8.661 1.00 44.02 H new ATOM 0 HA LEU A 78 12.122 10.221 7.076 1.00 74.41 H new ATOM 0 HB2 LEU A 78 10.311 8.213 5.799 1.00 53.34 H new ATOM 0 HB3 LEU A 78 11.724 9.018 5.147 1.00 53.34 H new ATOM 0 HG LEU A 78 12.398 6.812 5.284 1.00 24.10 H new ATOM 0 HD11 LEU A 78 14.045 6.629 7.096 1.00 43.13 H new ATOM 0 HD12 LEU A 78 14.064 8.236 6.332 1.00 43.13 H new ATOM 0 HD13 LEU A 78 13.287 8.015 7.917 1.00 43.13 H new ATOM 0 HD21 LEU A 78 11.965 5.320 7.204 1.00 53.31 H new ATOM 0 HD22 LEU A 78 11.087 6.637 8.018 1.00 53.31 H new ATOM 0 HD23 LEU A 78 10.459 5.954 6.499 1.00 53.31 H new ATOM 1423 N ARG A 79 9.939 11.350 6.304 1.00 45.21 N ATOM 1424 CA ARG A 79 8.735 12.151 6.130 1.00 51.34 C ATOM 1425 C ARG A 79 8.100 11.824 4.786 1.00 35.54 C ATOM 1426 O ARG A 79 8.627 12.197 3.737 1.00 14.43 O ATOM 1427 CB ARG A 79 9.058 13.645 6.215 1.00 45.42 C ATOM 1428 CG ARG A 79 8.218 14.391 7.241 1.00 13.20 C ATOM 1429 CD ARG A 79 8.845 15.725 7.620 1.00 13.10 C ATOM 1430 NE ARG A 79 10.278 15.602 7.887 1.00 40.04 N ATOM 1431 CZ ARG A 79 10.794 15.187 9.048 1.00 14.34 C ATOM 1432 NH1 ARG A 79 9.998 14.881 10.070 1.00 31.25 N ATOM 1433 NH2 ARG A 79 12.112 15.079 9.188 1.00 63.35 N ATOM 0 H ARG A 79 10.739 11.668 5.757 1.00 45.21 H new ATOM 0 HA ARG A 79 8.034 11.912 6.930 1.00 51.34 H new ATOM 0 HB2 ARG A 79 10.112 13.767 6.463 1.00 45.42 H new ATOM 0 HB3 ARG A 79 8.906 14.098 5.235 1.00 45.42 H new ATOM 0 HG2 ARG A 79 7.219 14.560 6.840 1.00 13.20 H new ATOM 0 HG3 ARG A 79 8.103 13.776 8.134 1.00 13.20 H new ATOM 0 HD2 ARG A 79 8.687 16.442 6.814 1.00 13.10 H new ATOM 0 HD3 ARG A 79 8.345 16.123 8.503 1.00 13.10 H new ATOM 0 HE ARG A 79 10.925 15.849 7.139 1.00 40.04 H new ATOM 0 HH11 ARG A 79 8.986 14.962 9.971 1.00 31.25 H new ATOM 0 HH12 ARG A 79 10.400 14.565 10.953 1.00 31.25 H new ATOM 0 HH21 ARG A 79 12.728 15.313 8.410 1.00 63.35 H new ATOM 0 HH22 ARG A 79 12.507 14.762 10.074 1.00 63.35 H new ATOM 1447 N GLY A 80 6.980 11.111 4.819 1.00 20.12 N ATOM 1448 CA GLY A 80 6.315 10.738 3.588 1.00 5.12 C ATOM 1449 C GLY A 80 4.868 10.321 3.786 1.00 23.10 C ATOM 1450 O GLY A 80 4.363 10.301 4.916 1.00 3.42 O ATOM 0 H GLY A 80 6.524 10.787 5.672 1.00 20.12 H new ATOM 0 HA2 GLY A 80 6.351 11.579 2.895 1.00 5.12 H new ATOM 0 HA3 GLY A 80 6.861 9.917 3.123 1.00 5.12 H new ATOM 1454 N THR A 81 4.209 9.984 2.674 1.00 23.20 N ATOM 1455 CA THR A 81 2.803 9.548 2.678 1.00 3.01 C ATOM 1456 C THR A 81 2.337 9.231 1.258 1.00 23.23 C ATOM 1457 O THR A 81 3.148 9.160 0.331 1.00 65.31 O ATOM 1458 CB THR A 81 1.865 10.606 3.291 1.00 44.13 C ATOM 1459 OG1 THR A 81 2.566 11.778 3.660 1.00 5.01 O ATOM 1460 CG2 THR A 81 1.113 10.103 4.510 1.00 53.55 C ATOM 0 H THR A 81 4.631 10.004 1.746 1.00 23.20 H new ATOM 0 HA THR A 81 2.755 8.651 3.296 1.00 3.01 H new ATOM 0 HB THR A 81 1.145 10.830 2.504 1.00 44.13 H new ATOM 0 HG1 THR A 81 3.112 11.597 4.454 1.00 5.01 H new ATOM 0 HG21 THR A 81 0.470 10.895 4.894 1.00 53.55 H new ATOM 0 HG22 THR A 81 0.503 9.244 4.232 1.00 53.55 H new ATOM 0 HG23 THR A 81 1.825 9.808 5.281 1.00 53.55 H new ATOM 1468 N TRP A 82 1.025 9.049 1.090 1.00 2.44 N ATOM 1469 CA TRP A 82 0.460 8.748 -0.218 1.00 71.44 C ATOM 1470 C TRP A 82 -0.551 9.811 -0.646 1.00 1.42 C ATOM 1471 O TRP A 82 -1.188 10.459 0.189 1.00 12.53 O ATOM 1472 CB TRP A 82 -0.192 7.365 -0.211 1.00 1.30 C ATOM 1473 CG TRP A 82 0.799 6.254 -0.372 1.00 33.42 C ATOM 1474 CD1 TRP A 82 1.733 5.852 0.539 1.00 4.21 C ATOM 1475 CD2 TRP A 82 0.964 5.408 -1.515 1.00 22.31 C ATOM 1476 NE1 TRP A 82 2.465 4.807 0.033 1.00 0.34 N ATOM 1477 CE2 TRP A 82 2.012 4.516 -1.223 1.00 33.30 C ATOM 1478 CE3 TRP A 82 0.326 5.314 -2.755 1.00 34.10 C ATOM 1479 CZ2 TRP A 82 2.437 3.547 -2.123 1.00 32.11 C ATOM 1480 CZ3 TRP A 82 0.751 4.350 -3.648 1.00 51.42 C ATOM 1481 CH2 TRP A 82 1.799 3.478 -3.326 1.00 21.24 C ATOM 0 H TRP A 82 0.340 9.106 1.844 1.00 2.44 H new ATOM 0 HA TRP A 82 1.274 8.751 -0.942 1.00 71.44 H new ATOM 0 HB2 TRP A 82 -0.734 7.229 0.725 1.00 1.30 H new ATOM 0 HB3 TRP A 82 -0.926 7.310 -1.015 1.00 1.30 H new ATOM 0 HD1 TRP A 82 1.875 6.292 1.515 1.00 4.21 H new ATOM 0 HE1 TRP A 82 3.224 4.326 0.516 1.00 0.34 H new ATOM 0 HE3 TRP A 82 -0.483 5.982 -3.010 1.00 34.10 H new ATOM 0 HZ2 TRP A 82 3.244 2.872 -1.879 1.00 32.11 H new ATOM 0 HZ3 TRP A 82 0.268 4.267 -4.610 1.00 51.42 H new ATOM 0 HH2 TRP A 82 2.108 2.735 -4.046 1.00 21.24 H new ATOM 1492 N SER A 83 -0.684 9.979 -1.958 1.00 0.45 N ATOM 1493 CA SER A 83 -1.605 10.957 -2.529 1.00 45.33 C ATOM 1494 C SER A 83 -1.922 10.603 -3.975 1.00 14.00 C ATOM 1495 O SER A 83 -1.037 10.193 -4.726 1.00 21.33 O ATOM 1496 CB SER A 83 -1.009 12.365 -2.451 1.00 45.54 C ATOM 1497 OG SER A 83 -1.696 13.157 -1.499 1.00 64.21 O ATOM 0 H SER A 83 -0.160 9.445 -2.652 1.00 0.45 H new ATOM 0 HA SER A 83 -2.529 10.938 -1.951 1.00 45.33 H new ATOM 0 HB2 SER A 83 0.046 12.303 -2.183 1.00 45.54 H new ATOM 0 HB3 SER A 83 -1.062 12.840 -3.430 1.00 45.54 H new ATOM 0 HG SER A 83 -1.405 14.089 -1.578 1.00 64.21 H new ATOM 1503 N LEU A 84 -3.186 10.751 -4.362 1.00 31.40 N ATOM 1504 CA LEU A 84 -3.598 10.432 -5.721 1.00 34.22 C ATOM 1505 C LEU A 84 -3.338 11.596 -6.673 1.00 61.13 C ATOM 1506 O LEU A 84 -3.458 12.768 -6.305 1.00 43.23 O ATOM 1507 CB LEU A 84 -5.080 10.037 -5.752 1.00 23.12 C ATOM 1508 CG LEU A 84 -5.830 10.363 -7.052 1.00 1.51 C ATOM 1509 CD1 LEU A 84 -5.647 9.256 -8.084 1.00 32.23 C ATOM 1510 CD2 LEU A 84 -7.302 10.585 -6.758 1.00 4.53 C ATOM 0 H LEU A 84 -3.936 11.087 -3.758 1.00 31.40 H new ATOM 0 HA LEU A 84 -2.999 9.586 -6.059 1.00 34.22 H new ATOM 0 HB2 LEU A 84 -5.155 8.965 -5.570 1.00 23.12 H new ATOM 0 HB3 LEU A 84 -5.587 10.536 -4.927 1.00 23.12 H new ATOM 0 HG LEU A 84 -5.412 11.278 -7.472 1.00 1.51 H new ATOM 0 HD11 LEU A 84 -6.189 9.514 -8.994 1.00 32.23 H new ATOM 0 HD12 LEU A 84 -4.587 9.143 -8.312 1.00 32.23 H new ATOM 0 HD13 LEU A 84 -6.034 8.319 -7.685 1.00 32.23 H new ATOM 0 HD21 LEU A 84 -7.827 10.816 -7.685 1.00 4.53 H new ATOM 0 HD22 LEU A 84 -7.725 9.683 -6.316 1.00 4.53 H new ATOM 0 HD23 LEU A 84 -7.413 11.416 -6.062 1.00 4.53 H new ATOM 1522 N GLU A 85 -3.009 11.244 -7.908 1.00 64.11 N ATOM 1523 CA GLU A 85 -2.757 12.221 -8.963 1.00 75.32 C ATOM 1524 C GLU A 85 -3.345 11.709 -10.265 1.00 62.42 C ATOM 1525 O GLU A 85 -3.097 10.567 -10.653 1.00 4.22 O ATOM 1526 CB GLU A 85 -1.262 12.479 -9.142 1.00 42.01 C ATOM 1527 CG GLU A 85 -0.598 13.135 -7.941 1.00 31.23 C ATOM 1528 CD GLU A 85 0.779 13.682 -8.264 1.00 52.24 C ATOM 1529 OE1 GLU A 85 1.601 12.931 -8.832 1.00 72.51 O ATOM 1530 OE2 GLU A 85 1.039 14.862 -7.953 1.00 22.42 O ATOM 0 H GLU A 85 -2.909 10.274 -8.209 1.00 64.11 H new ATOM 0 HA GLU A 85 -3.227 13.162 -8.679 1.00 75.32 H new ATOM 0 HB2 GLU A 85 -0.763 11.532 -9.348 1.00 42.01 H new ATOM 0 HB3 GLU A 85 -1.116 13.113 -10.016 1.00 42.01 H new ATOM 0 HG2 GLU A 85 -1.231 13.945 -7.578 1.00 31.23 H new ATOM 0 HG3 GLU A 85 -0.516 12.408 -7.133 1.00 31.23 H new ATOM 1537 N GLY A 86 -4.135 12.543 -10.927 1.00 12.52 N ATOM 1538 CA GLY A 86 -4.762 12.141 -12.169 1.00 64.22 C ATOM 1539 C GLY A 86 -5.572 10.879 -12.004 1.00 60.35 C ATOM 1540 O GLY A 86 -6.668 10.892 -11.442 1.00 22.34 O ATOM 0 H GLY A 86 -4.353 13.493 -10.625 1.00 12.52 H new ATOM 0 HA2 GLY A 86 -5.407 12.943 -12.527 1.00 64.22 H new ATOM 0 HA3 GLY A 86 -3.996 11.985 -12.929 1.00 64.22 H new ATOM 1544 N ASN A 87 -5.009 9.792 -12.488 1.00 1.24 N ATOM 1545 CA ASN A 87 -5.642 8.478 -12.404 1.00 21.44 C ATOM 1546 C ASN A 87 -4.696 7.444 -11.781 1.00 4.41 C ATOM 1547 O ASN A 87 -4.808 6.248 -12.057 1.00 23.54 O ATOM 1548 CB ASN A 87 -6.072 8.017 -13.796 1.00 60.33 C ATOM 1549 CG ASN A 87 -7.392 8.627 -14.227 1.00 23.22 C ATOM 1550 OD1 ASN A 87 -8.455 8.040 -14.023 1.00 61.22 O ATOM 1551 ND2 ASN A 87 -7.332 9.813 -14.822 1.00 63.23 N ATOM 0 H ASN A 87 -4.101 9.787 -12.952 1.00 1.24 H new ATOM 0 HA ASN A 87 -6.519 8.565 -11.763 1.00 21.44 H new ATOM 0 HB2 ASN A 87 -5.300 8.282 -14.518 1.00 60.33 H new ATOM 0 HB3 ASN A 87 -6.157 6.930 -13.805 1.00 60.33 H new ATOM 0 HD21 ASN A 87 -8.189 10.273 -15.130 1.00 63.23 H new ATOM 0 HD22 ASN A 87 -6.429 10.264 -14.971 1.00 63.23 H new ATOM 1558 N LYS A 88 -3.761 7.909 -10.948 1.00 64.32 N ATOM 1559 CA LYS A 88 -2.794 7.014 -10.302 1.00 52.43 C ATOM 1560 C LYS A 88 -2.523 7.430 -8.854 1.00 52.45 C ATOM 1561 O LYS A 88 -2.747 8.583 -8.482 1.00 52.42 O ATOM 1562 CB LYS A 88 -1.483 6.999 -11.094 1.00 32.32 C ATOM 1563 CG LYS A 88 -0.730 5.681 -11.011 1.00 55.01 C ATOM 1564 CD LYS A 88 -0.791 4.919 -12.326 1.00 71.31 C ATOM 1565 CE LYS A 88 -0.126 3.556 -12.211 1.00 53.02 C ATOM 1566 NZ LYS A 88 -0.905 2.622 -11.350 1.00 72.34 N ATOM 0 H LYS A 88 -3.652 8.894 -10.705 1.00 64.32 H new ATOM 0 HA LYS A 88 -3.224 6.012 -10.289 1.00 52.43 H new ATOM 0 HB2 LYS A 88 -1.699 7.218 -12.140 1.00 32.32 H new ATOM 0 HB3 LYS A 88 -0.839 7.798 -10.727 1.00 32.32 H new ATOM 0 HG2 LYS A 88 0.310 5.871 -10.748 1.00 55.01 H new ATOM 0 HG3 LYS A 88 -1.153 5.069 -10.215 1.00 55.01 H new ATOM 0 HD2 LYS A 88 -1.831 4.793 -12.627 1.00 71.31 H new ATOM 0 HD3 LYS A 88 -0.301 5.500 -13.107 1.00 71.31 H new ATOM 0 HE2 LYS A 88 -0.014 3.123 -13.205 1.00 53.02 H new ATOM 0 HE3 LYS A 88 0.876 3.676 -11.800 1.00 53.02 H new ATOM 0 HZ1 LYS A 88 -0.314 2.310 -10.553 1.00 72.34 H new ATOM 0 HZ2 LYS A 88 -1.749 3.108 -10.985 1.00 72.34 H new ATOM 0 HZ3 LYS A 88 -1.196 1.795 -11.910 1.00 72.34 H new ATOM 1580 N LEU A 89 -2.036 6.484 -8.040 1.00 61.13 N ATOM 1581 CA LEU A 89 -1.737 6.766 -6.635 1.00 43.02 C ATOM 1582 C LEU A 89 -0.241 6.878 -6.384 1.00 44.33 C ATOM 1583 O LEU A 89 0.538 5.988 -6.738 1.00 32.12 O ATOM 1584 CB LEU A 89 -2.347 5.713 -5.718 1.00 42.03 C ATOM 1585 CG LEU A 89 -3.477 6.252 -4.851 1.00 14.45 C ATOM 1586 CD1 LEU A 89 -4.451 5.156 -4.474 1.00 0.51 C ATOM 1587 CD2 LEU A 89 -2.930 6.941 -3.611 1.00 0.44 C ATOM 0 H LEU A 89 -1.843 5.525 -8.330 1.00 61.13 H new ATOM 0 HA LEU A 89 -2.188 7.731 -6.405 1.00 43.02 H new ATOM 0 HB2 LEU A 89 -2.724 4.889 -6.323 1.00 42.03 H new ATOM 0 HB3 LEU A 89 -1.567 5.306 -5.075 1.00 42.03 H new ATOM 0 HG LEU A 89 -4.020 6.992 -5.438 1.00 14.45 H new ATOM 0 HD11 LEU A 89 -5.246 5.573 -3.855 1.00 0.51 H new ATOM 0 HD12 LEU A 89 -4.882 4.726 -5.378 1.00 0.51 H new ATOM 0 HD13 LEU A 89 -3.927 4.379 -3.917 1.00 0.51 H new ATOM 0 HD21 LEU A 89 -3.757 7.317 -3.009 1.00 0.44 H new ATOM 0 HD22 LEU A 89 -2.349 6.229 -3.025 1.00 0.44 H new ATOM 0 HD23 LEU A 89 -2.291 7.772 -3.909 1.00 0.44 H new ATOM 1599 N ILE A 90 0.140 7.999 -5.779 1.00 20.31 N ATOM 1600 CA ILE A 90 1.532 8.302 -5.474 1.00 1.33 C ATOM 1601 C ILE A 90 1.899 8.005 -4.021 1.00 73.44 C ATOM 1602 O ILE A 90 1.140 8.304 -3.099 1.00 20.44 O ATOM 1603 CB ILE A 90 1.824 9.794 -5.753 1.00 4.10 C ATOM 1604 CG1 ILE A 90 1.442 10.157 -7.192 1.00 51.03 C ATOM 1605 CG2 ILE A 90 3.290 10.121 -5.491 1.00 1.00 C ATOM 1606 CD1 ILE A 90 1.913 9.151 -8.224 1.00 22.33 C ATOM 0 H ILE A 90 -0.513 8.726 -5.486 1.00 20.31 H new ATOM 0 HA ILE A 90 2.134 7.658 -6.116 1.00 1.33 H new ATOM 0 HB ILE A 90 1.217 10.390 -5.072 1.00 4.10 H new ATOM 0 HG12 ILE A 90 0.358 10.250 -7.258 1.00 51.03 H new ATOM 0 HG13 ILE A 90 1.861 11.134 -7.433 1.00 51.03 H new ATOM 0 HG21 ILE A 90 3.469 11.177 -5.695 1.00 1.00 H new ATOM 0 HG22 ILE A 90 3.530 9.906 -4.450 1.00 1.00 H new ATOM 0 HG23 ILE A 90 3.920 9.514 -6.141 1.00 1.00 H new ATOM 0 HD11 ILE A 90 1.605 9.477 -9.217 1.00 22.33 H new ATOM 0 HD12 ILE A 90 3.000 9.075 -8.188 1.00 22.33 H new ATOM 0 HD13 ILE A 90 1.474 8.177 -8.010 1.00 22.33 H new ATOM 1618 N GLY A 91 3.096 7.450 -3.840 1.00 11.44 N ATOM 1619 CA GLY A 91 3.614 7.148 -2.520 1.00 34.30 C ATOM 1620 C GLY A 91 5.069 7.555 -2.438 1.00 1.33 C ATOM 1621 O GLY A 91 5.903 7.005 -3.156 1.00 53.25 O ATOM 0 H GLY A 91 3.725 7.201 -4.603 1.00 11.44 H new ATOM 0 HA2 GLY A 91 3.035 7.676 -1.762 1.00 34.30 H new ATOM 0 HA3 GLY A 91 3.512 6.083 -2.314 1.00 34.30 H new ATOM 1625 N LYS A 92 5.381 8.546 -1.606 1.00 23.42 N ATOM 1626 CA LYS A 92 6.755 9.028 -1.509 1.00 62.21 C ATOM 1627 C LYS A 92 7.222 9.214 -0.068 1.00 60.24 C ATOM 1628 O LYS A 92 6.490 9.732 0.778 1.00 45.22 O ATOM 1629 CB LYS A 92 6.886 10.350 -2.265 1.00 51.24 C ATOM 1630 CG LYS A 92 7.536 10.209 -3.629 1.00 23.40 C ATOM 1631 CD LYS A 92 7.180 11.377 -4.537 1.00 20.43 C ATOM 1632 CE LYS A 92 8.415 11.988 -5.180 1.00 73.31 C ATOM 1633 NZ LYS A 92 8.570 13.429 -4.833 1.00 21.42 N ATOM 0 H LYS A 92 4.714 9.023 -1.000 1.00 23.42 H new ATOM 0 HA LYS A 92 7.394 8.265 -1.954 1.00 62.21 H new ATOM 0 HB2 LYS A 92 5.896 10.788 -2.388 1.00 51.24 H new ATOM 0 HB3 LYS A 92 7.471 11.046 -1.664 1.00 51.24 H new ATOM 0 HG2 LYS A 92 8.618 10.152 -3.514 1.00 23.40 H new ATOM 0 HG3 LYS A 92 7.216 9.276 -4.092 1.00 23.40 H new ATOM 0 HD2 LYS A 92 6.495 11.038 -5.314 1.00 20.43 H new ATOM 0 HD3 LYS A 92 6.655 12.139 -3.961 1.00 20.43 H new ATOM 0 HE2 LYS A 92 9.300 11.440 -4.857 1.00 73.31 H new ATOM 0 HE3 LYS A 92 8.351 11.881 -6.263 1.00 73.31 H new ATOM 0 HZ1 LYS A 92 9.064 13.921 -5.605 1.00 21.42 H new ATOM 0 HZ2 LYS A 92 7.632 13.856 -4.695 1.00 21.42 H new ATOM 0 HZ3 LYS A 92 9.123 13.518 -3.957 1.00 21.42 H new ATOM 1647 N PHE A 93 8.468 8.811 0.180 1.00 55.42 N ATOM 1648 CA PHE A 93 9.094 8.945 1.496 1.00 52.52 C ATOM 1649 C PHE A 93 10.571 9.298 1.321 1.00 0.02 C ATOM 1650 O PHE A 93 11.226 8.777 0.415 1.00 21.33 O ATOM 1651 CB PHE A 93 8.960 7.653 2.309 1.00 22.45 C ATOM 1652 CG PHE A 93 7.541 7.275 2.621 1.00 11.02 C ATOM 1653 CD1 PHE A 93 6.769 6.592 1.694 1.00 61.11 C ATOM 1654 CD2 PHE A 93 6.980 7.603 3.843 1.00 4.00 C ATOM 1655 CE1 PHE A 93 5.464 6.243 1.981 1.00 3.31 C ATOM 1656 CE2 PHE A 93 5.675 7.257 4.136 1.00 14.40 C ATOM 1657 CZ PHE A 93 4.917 6.576 3.204 1.00 43.22 C ATOM 0 H PHE A 93 9.071 8.384 -0.523 1.00 55.42 H new ATOM 0 HA PHE A 93 8.585 9.740 2.041 1.00 52.52 H new ATOM 0 HB2 PHE A 93 9.430 6.838 1.758 1.00 22.45 H new ATOM 0 HB3 PHE A 93 9.510 7.765 3.244 1.00 22.45 H new ATOM 0 HD1 PHE A 93 7.193 6.330 0.736 1.00 61.11 H new ATOM 0 HD2 PHE A 93 7.569 8.135 4.575 1.00 4.00 H new ATOM 0 HE1 PHE A 93 4.873 5.711 1.250 1.00 3.31 H new ATOM 0 HE2 PHE A 93 5.248 7.519 5.093 1.00 14.40 H new ATOM 0 HZ PHE A 93 3.897 6.304 3.432 1.00 43.22 H new ATOM 1667 N LYS A 94 11.092 10.197 2.160 1.00 20.41 N ATOM 1668 CA LYS A 94 12.496 10.613 2.039 1.00 73.43 C ATOM 1669 C LYS A 94 13.288 10.450 3.336 1.00 0.35 C ATOM 1670 O LYS A 94 12.820 10.830 4.413 1.00 11.12 O ATOM 1671 CB LYS A 94 12.586 12.075 1.590 1.00 3.53 C ATOM 1672 CG LYS A 94 11.604 12.447 0.489 1.00 3.51 C ATOM 1673 CD LYS A 94 10.566 13.447 0.977 1.00 21.40 C ATOM 1674 CE LYS A 94 9.168 12.848 0.986 1.00 74.22 C ATOM 1675 NZ LYS A 94 8.727 12.426 -0.372 1.00 44.32 N ATOM 0 H LYS A 94 10.576 10.645 2.918 1.00 20.41 H new ATOM 0 HA LYS A 94 12.939 9.953 1.293 1.00 73.43 H new ATOM 0 HB2 LYS A 94 12.412 12.720 2.451 1.00 3.53 H new ATOM 0 HB3 LYS A 94 13.599 12.275 1.242 1.00 3.53 H new ATOM 0 HG2 LYS A 94 12.147 12.869 -0.356 1.00 3.51 H new ATOM 0 HG3 LYS A 94 11.103 11.548 0.129 1.00 3.51 H new ATOM 0 HD2 LYS A 94 10.826 13.780 1.982 1.00 21.40 H new ATOM 0 HD3 LYS A 94 10.580 14.328 0.336 1.00 21.40 H new ATOM 0 HE2 LYS A 94 9.147 11.988 1.656 1.00 74.22 H new ATOM 0 HE3 LYS A 94 8.464 13.579 1.384 1.00 74.22 H new ATOM 0 HZ1 LYS A 94 7.719 12.652 -0.496 1.00 44.32 H new ATOM 0 HZ2 LYS A 94 9.285 12.930 -1.090 1.00 44.32 H new ATOM 0 HZ3 LYS A 94 8.868 11.401 -0.480 1.00 44.32 H new ATOM 1689 N ARG A 95 14.512 9.916 3.207 1.00 20.31 N ATOM 1690 CA ARG A 95 15.413 9.735 4.352 1.00 34.34 C ATOM 1691 C ARG A 95 15.794 11.090 4.953 1.00 4.43 C ATOM 1692 O ARG A 95 15.803 12.108 4.258 1.00 43.14 O ATOM 1693 CB ARG A 95 16.697 9.026 3.914 1.00 61.13 C ATOM 1694 CG ARG A 95 16.590 7.514 3.840 1.00 63.13 C ATOM 1695 CD ARG A 95 17.515 6.946 2.774 1.00 21.50 C ATOM 1696 NE ARG A 95 18.272 5.793 3.262 1.00 13.12 N ATOM 1697 CZ ARG A 95 19.597 5.650 3.135 1.00 2.33 C ATOM 1698 NH1 ARG A 95 20.328 6.577 2.520 1.00 45.44 N ATOM 1699 NH2 ARG A 95 20.194 4.572 3.629 1.00 1.10 N ATOM 0 H ARG A 95 14.900 9.602 2.318 1.00 20.31 H new ATOM 0 HA ARG A 95 14.890 9.133 5.095 1.00 34.34 H new ATOM 0 HB2 ARG A 95 16.990 9.405 2.935 1.00 61.13 H new ATOM 0 HB3 ARG A 95 17.496 9.287 4.608 1.00 61.13 H new ATOM 0 HG2 ARG A 95 16.840 7.082 4.809 1.00 63.13 H new ATOM 0 HG3 ARG A 95 15.561 7.230 3.620 1.00 63.13 H new ATOM 0 HD2 ARG A 95 16.928 6.652 1.904 1.00 21.50 H new ATOM 0 HD3 ARG A 95 18.207 7.721 2.445 1.00 21.50 H new ATOM 0 HE ARG A 95 17.756 5.048 3.730 1.00 13.12 H new ATOM 0 HH11 ARG A 95 19.879 7.410 2.138 1.00 45.44 H new ATOM 0 HH12 ARG A 95 21.337 6.455 2.431 1.00 45.44 H new ATOM 0 HH21 ARG A 95 19.643 3.856 4.103 1.00 1.10 H new ATOM 0 HH22 ARG A 95 21.203 4.459 3.534 1.00 1.10 H new ATOM 1713 N THR A 96 16.143 11.090 6.237 1.00 12.42 N ATOM 1714 CA THR A 96 16.562 12.316 6.922 1.00 71.44 C ATOM 1715 C THR A 96 18.067 12.546 6.750 1.00 43.04 C ATOM 1716 O THR A 96 18.554 13.671 6.878 1.00 55.51 O ATOM 1717 CB THR A 96 16.203 12.253 8.414 1.00 14.53 C ATOM 1718 OG1 THR A 96 16.821 13.311 9.128 1.00 23.42 O ATOM 1719 CG2 THR A 96 16.609 10.955 9.083 1.00 13.31 C ATOM 0 H THR A 96 16.145 10.257 6.826 1.00 12.42 H new ATOM 0 HA THR A 96 16.029 13.153 6.471 1.00 71.44 H new ATOM 0 HB THR A 96 15.116 12.333 8.445 1.00 14.53 H new ATOM 0 HG1 THR A 96 16.578 13.252 10.075 1.00 23.42 H new ATOM 0 HG21 THR A 96 16.324 10.983 10.135 1.00 13.31 H new ATOM 0 HG22 THR A 96 16.107 10.121 8.593 1.00 13.31 H new ATOM 0 HG23 THR A 96 17.688 10.827 9.003 1.00 13.31 H new ATOM 1727 N ASP A 97 18.795 11.463 6.470 1.00 52.55 N ATOM 1728 CA ASP A 97 20.248 11.522 6.291 1.00 20.54 C ATOM 1729 C ASP A 97 20.637 12.438 5.129 1.00 75.24 C ATOM 1730 O ASP A 97 21.213 13.506 5.343 1.00 61.44 O ATOM 1731 CB ASP A 97 20.845 10.116 6.071 1.00 0.20 C ATOM 1732 CG ASP A 97 19.812 9.049 5.760 1.00 24.51 C ATOM 1733 OD1 ASP A 97 19.133 8.586 6.702 1.00 60.22 O ATOM 1734 OD2 ASP A 97 19.677 8.686 4.573 1.00 61.23 O ATOM 0 H ASP A 97 18.399 10.529 6.362 1.00 52.55 H new ATOM 0 HA ASP A 97 20.661 11.938 7.210 1.00 20.54 H new ATOM 0 HB2 ASP A 97 21.563 10.161 5.252 1.00 0.20 H new ATOM 0 HB3 ASP A 97 21.397 9.823 6.964 1.00 0.20 H new ATOM 1739 N ASN A 98 20.334 12.012 3.902 1.00 54.01 N ATOM 1740 CA ASN A 98 20.669 12.798 2.711 1.00 64.15 C ATOM 1741 C ASN A 98 19.424 13.189 1.909 1.00 33.43 C ATOM 1742 O ASN A 98 19.537 13.877 0.893 1.00 60.31 O ATOM 1743 CB ASN A 98 21.640 12.027 1.802 1.00 55.15 C ATOM 1744 CG ASN A 98 22.225 10.795 2.466 1.00 41.12 C ATOM 1745 OD1 ASN A 98 23.264 10.865 3.122 1.00 42.33 O ATOM 1746 ND2 ASN A 98 21.555 9.659 2.302 1.00 12.13 N ATOM 0 H ASN A 98 19.859 11.131 3.706 1.00 54.01 H new ATOM 0 HA ASN A 98 21.147 13.712 3.064 1.00 64.15 H new ATOM 0 HB2 ASN A 98 21.118 11.729 0.893 1.00 55.15 H new ATOM 0 HB3 ASN A 98 22.451 12.690 1.501 1.00 55.15 H new ATOM 0 HD21 ASN A 98 21.898 8.798 2.729 1.00 12.13 H new ATOM 0 HD22 ASN A 98 20.698 9.648 1.750 1.00 12.13 H new ATOM 1753 N GLY A 99 18.240 12.755 2.357 1.00 14.42 N ATOM 1754 CA GLY A 99 17.018 13.084 1.651 1.00 60.44 C ATOM 1755 C GLY A 99 16.751 12.174 0.467 1.00 33.13 C ATOM 1756 O GLY A 99 16.227 12.627 -0.551 1.00 20.23 O ATOM 0 H GLY A 99 18.113 12.185 3.193 1.00 14.42 H new ATOM 0 HA2 GLY A 99 16.178 13.025 2.343 1.00 60.44 H new ATOM 0 HA3 GLY A 99 17.073 14.116 1.304 1.00 60.44 H new ATOM 1760 N ASN A 100 17.100 10.887 0.593 1.00 74.43 N ATOM 1761 CA ASN A 100 16.871 9.933 -0.493 1.00 44.31 C ATOM 1762 C ASN A 100 15.386 9.842 -0.791 1.00 43.34 C ATOM 1763 O ASN A 100 14.598 9.431 0.062 1.00 1.23 O ATOM 1764 CB ASN A 100 17.396 8.541 -0.149 1.00 32.25 C ATOM 1765 CG ASN A 100 18.877 8.537 0.168 1.00 2.45 C ATOM 1766 OD1 ASN A 100 19.299 9.048 1.203 1.00 53.33 O ATOM 1767 ND2 ASN A 100 19.676 7.959 -0.721 1.00 24.11 N ATOM 0 H ASN A 100 17.536 10.489 1.425 1.00 74.43 H new ATOM 0 HA ASN A 100 17.413 10.295 -1.367 1.00 44.31 H new ATOM 0 HB2 ASN A 100 16.844 8.150 0.706 1.00 32.25 H new ATOM 0 HB3 ASN A 100 17.206 7.868 -0.985 1.00 32.25 H new ATOM 0 HD21 ASN A 100 20.682 7.927 -0.558 1.00 24.11 H new ATOM 0 HD22 ASN A 100 19.283 7.547 -1.567 1.00 24.11 H new ATOM 1774 N GLU A 101 15.009 10.240 -1.995 1.00 22.52 N ATOM 1775 CA GLU A 101 13.613 10.217 -2.398 1.00 32.12 C ATOM 1776 C GLU A 101 13.210 8.863 -2.963 1.00 22.24 C ATOM 1777 O GLU A 101 13.681 8.456 -4.029 1.00 42.32 O ATOM 1778 CB GLU A 101 13.331 11.311 -3.433 1.00 2.45 C ATOM 1779 CG GLU A 101 12.504 12.463 -2.885 1.00 1.02 C ATOM 1780 CD GLU A 101 11.022 12.145 -2.764 1.00 13.44 C ATOM 1781 OE1 GLU A 101 10.655 10.949 -2.760 1.00 64.13 O ATOM 1782 OE2 GLU A 101 10.224 13.100 -2.666 1.00 74.23 O ATOM 0 H GLU A 101 15.650 10.583 -2.710 1.00 22.52 H new ATOM 0 HA GLU A 101 13.018 10.403 -1.504 1.00 32.12 H new ATOM 0 HB2 GLU A 101 14.278 11.699 -3.807 1.00 2.45 H new ATOM 0 HB3 GLU A 101 12.809 10.871 -4.283 1.00 2.45 H new ATOM 0 HG2 GLU A 101 12.889 12.741 -1.904 1.00 1.02 H new ATOM 0 HG3 GLU A 101 12.629 13.330 -3.534 1.00 1.02 H new ATOM 1789 N LEU A 102 12.301 8.190 -2.265 1.00 41.21 N ATOM 1790 CA LEU A 102 11.792 6.907 -2.722 1.00 2.00 C ATOM 1791 C LEU A 102 10.417 7.117 -3.305 1.00 35.24 C ATOM 1792 O LEU A 102 9.654 7.959 -2.825 1.00 65.52 O ATOM 1793 CB LEU A 102 11.707 5.881 -1.599 1.00 20.22 C ATOM 1794 CG LEU A 102 11.264 4.489 -2.055 1.00 63.55 C ATOM 1795 CD1 LEU A 102 12.459 3.662 -2.495 1.00 24.43 C ATOM 1796 CD2 LEU A 102 10.491 3.782 -0.955 1.00 61.14 C ATOM 0 H LEU A 102 11.904 8.513 -1.383 1.00 41.21 H new ATOM 0 HA LEU A 102 12.484 6.516 -3.468 1.00 2.00 H new ATOM 0 HB2 LEU A 102 12.683 5.801 -1.120 1.00 20.22 H new ATOM 0 HB3 LEU A 102 11.010 6.243 -0.843 1.00 20.22 H new ATOM 0 HG LEU A 102 10.600 4.606 -2.912 1.00 63.55 H new ATOM 0 HD11 LEU A 102 12.121 2.676 -2.815 1.00 24.43 H new ATOM 0 HD12 LEU A 102 12.961 4.161 -3.324 1.00 24.43 H new ATOM 0 HD13 LEU A 102 13.154 3.555 -1.662 1.00 24.43 H new ATOM 0 HD21 LEU A 102 10.186 2.795 -1.301 1.00 61.14 H new ATOM 0 HD22 LEU A 102 11.125 3.678 -0.074 1.00 61.14 H new ATOM 0 HD23 LEU A 102 9.607 4.366 -0.699 1.00 61.14 H new ATOM 1808 N ASN A 103 10.108 6.379 -4.355 1.00 22.34 N ATOM 1809 CA ASN A 103 8.826 6.537 -5.006 1.00 0.05 C ATOM 1810 C ASN A 103 8.115 5.200 -5.167 1.00 32.40 C ATOM 1811 O ASN A 103 8.704 4.223 -5.628 1.00 33.12 O ATOM 1812 CB ASN A 103 9.003 7.242 -6.359 1.00 52.15 C ATOM 1813 CG ASN A 103 10.422 7.765 -6.570 1.00 74.21 C ATOM 1814 OD1 ASN A 103 11.121 7.329 -7.484 1.00 52.44 O ATOM 1815 ND2 ASN A 103 10.860 8.702 -5.725 1.00 22.52 N ATOM 0 H ASN A 103 10.719 5.675 -4.769 1.00 22.34 H new ATOM 0 HA ASN A 103 8.195 7.160 -4.373 1.00 0.05 H new ATOM 0 HB2 ASN A 103 8.753 6.548 -7.161 1.00 52.15 H new ATOM 0 HB3 ASN A 103 8.300 8.073 -6.426 1.00 52.15 H new ATOM 0 HD21 ASN A 103 11.802 9.080 -5.826 1.00 22.52 H new ATOM 0 HD22 ASN A 103 10.252 9.040 -4.979 1.00 22.52 H new ATOM 1822 N THR A 104 6.846 5.164 -4.762 1.00 21.42 N ATOM 1823 CA THR A 104 6.050 3.943 -4.837 1.00 25.23 C ATOM 1824 C THR A 104 4.633 4.215 -5.346 1.00 51.23 C ATOM 1825 O THR A 104 3.990 5.180 -4.938 1.00 61.42 O ATOM 1826 CB THR A 104 5.999 3.272 -3.456 1.00 42.52 C ATOM 1827 OG1 THR A 104 5.169 2.122 -3.470 1.00 23.22 O ATOM 1828 CG2 THR A 104 5.497 4.182 -2.356 1.00 24.22 C ATOM 0 H THR A 104 6.348 5.968 -4.379 1.00 21.42 H new ATOM 0 HA THR A 104 6.529 3.274 -5.552 1.00 25.23 H new ATOM 0 HB THR A 104 7.034 3.006 -3.243 1.00 42.52 H new ATOM 0 HG1 THR A 104 5.582 1.427 -4.024 1.00 23.22 H new ATOM 0 HG21 THR A 104 5.489 3.640 -1.411 1.00 24.22 H new ATOM 0 HG22 THR A 104 6.154 5.048 -2.272 1.00 24.22 H new ATOM 0 HG23 THR A 104 4.486 4.515 -2.592 1.00 24.22 H new ATOM 1836 N VAL A 105 4.156 3.344 -6.237 1.00 20.15 N ATOM 1837 CA VAL A 105 2.805 3.470 -6.806 1.00 20.20 C ATOM 1838 C VAL A 105 1.961 2.230 -6.482 1.00 42.35 C ATOM 1839 O VAL A 105 2.493 1.119 -6.410 1.00 42.25 O ATOM 1840 CB VAL A 105 2.854 3.672 -8.338 1.00 0.21 C ATOM 1841 CG1 VAL A 105 1.456 3.883 -8.903 1.00 73.52 C ATOM 1842 CG2 VAL A 105 3.756 4.846 -8.695 1.00 34.11 C ATOM 0 H VAL A 105 4.683 2.542 -6.583 1.00 20.15 H new ATOM 0 HA VAL A 105 2.345 4.348 -6.354 1.00 20.20 H new ATOM 0 HB VAL A 105 3.269 2.769 -8.785 1.00 0.21 H new ATOM 0 HG11 VAL A 105 1.517 4.023 -9.982 1.00 73.52 H new ATOM 0 HG12 VAL A 105 0.840 3.011 -8.684 1.00 73.52 H new ATOM 0 HG13 VAL A 105 1.009 4.767 -8.447 1.00 73.52 H new ATOM 0 HG21 VAL A 105 3.778 4.972 -9.777 1.00 34.11 H new ATOM 0 HG22 VAL A 105 3.371 5.754 -8.231 1.00 34.11 H new ATOM 0 HG23 VAL A 105 4.765 4.653 -8.332 1.00 34.11 H new ATOM 1852 N ARG A 106 0.649 2.420 -6.274 1.00 13.20 N ATOM 1853 CA ARG A 106 -0.238 1.294 -5.941 1.00 34.51 C ATOM 1854 C ARG A 106 -1.195 0.953 -7.087 1.00 60.22 C ATOM 1855 O ARG A 106 -1.880 1.834 -7.612 1.00 12.12 O ATOM 1856 CB ARG A 106 -1.054 1.617 -4.683 1.00 32.31 C ATOM 1857 CG ARG A 106 -0.500 0.997 -3.410 1.00 51.51 C ATOM 1858 CD ARG A 106 -1.495 1.098 -2.262 1.00 54.04 C ATOM 1859 NE ARG A 106 -1.227 2.247 -1.394 1.00 40.21 N ATOM 1860 CZ ARG A 106 -0.515 2.187 -0.263 1.00 73.12 C ATOM 1861 NH1 ARG A 106 0.026 1.041 0.138 1.00 4.01 N ATOM 1862 NH2 ARG A 106 -0.343 3.280 0.469 1.00 12.20 N ATOM 0 H ARG A 106 0.184 3.326 -6.329 1.00 13.20 H new ATOM 0 HA ARG A 106 0.399 0.428 -5.763 1.00 34.51 H new ATOM 0 HB2 ARG A 106 -1.098 2.699 -4.559 1.00 32.31 H new ATOM 0 HB3 ARG A 106 -2.078 1.271 -4.828 1.00 32.31 H new ATOM 0 HG2 ARG A 106 -0.256 -0.050 -3.590 1.00 51.51 H new ATOM 0 HG3 ARG A 106 0.428 1.498 -3.134 1.00 51.51 H new ATOM 0 HD2 ARG A 106 -2.505 1.178 -2.665 1.00 54.04 H new ATOM 0 HD3 ARG A 106 -1.459 0.183 -1.671 1.00 54.04 H new ATOM 0 HE ARG A 106 -1.608 3.152 -1.670 1.00 40.21 H new ATOM 0 HH11 ARG A 106 -0.100 0.195 -0.418 1.00 4.01 H new ATOM 0 HH12 ARG A 106 0.567 1.007 1.002 1.00 4.01 H new ATOM 0 HH21 ARG A 106 -0.753 4.164 0.169 1.00 12.20 H new ATOM 0 HH22 ARG A 106 0.200 3.236 1.332 1.00 12.20 H new ATOM 1876 N GLU A 107 -1.251 -0.335 -7.465 1.00 44.54 N ATOM 1877 CA GLU A 107 -2.145 -0.774 -8.539 1.00 24.13 C ATOM 1878 C GLU A 107 -2.576 -2.231 -8.342 1.00 22.43 C ATOM 1879 O GLU A 107 -1.995 -2.956 -7.533 1.00 22.14 O ATOM 1880 CB GLU A 107 -1.449 -0.616 -9.897 1.00 31.42 C ATOM 1881 CG GLU A 107 -2.396 -0.274 -11.038 1.00 32.33 C ATOM 1882 CD GLU A 107 -1.788 -0.537 -12.402 1.00 55.31 C ATOM 1883 OE1 GLU A 107 -1.819 -1.701 -12.851 1.00 42.53 O ATOM 1884 OE2 GLU A 107 -1.282 0.422 -13.022 1.00 4.10 O ATOM 0 H GLU A 107 -0.693 -1.079 -7.046 1.00 44.54 H new ATOM 0 HA GLU A 107 -3.038 -0.149 -8.512 1.00 24.13 H new ATOM 0 HB2 GLU A 107 -0.693 0.165 -9.818 1.00 31.42 H new ATOM 0 HB3 GLU A 107 -0.926 -1.542 -10.137 1.00 31.42 H new ATOM 0 HG2 GLU A 107 -3.310 -0.858 -10.933 1.00 32.33 H new ATOM 0 HG3 GLU A 107 -2.679 0.776 -10.967 1.00 32.33 H new ATOM 1891 N ILE A 108 -3.585 -2.662 -9.103 1.00 13.10 N ATOM 1892 CA ILE A 108 -4.064 -4.039 -9.035 1.00 44.22 C ATOM 1893 C ILE A 108 -4.230 -4.614 -10.442 1.00 5.23 C ATOM 1894 O ILE A 108 -4.873 -4.005 -11.301 1.00 41.25 O ATOM 1895 CB ILE A 108 -5.399 -4.195 -8.263 1.00 35.41 C ATOM 1896 CG1 ILE A 108 -5.646 -5.683 -8.003 1.00 34.13 C ATOM 1897 CG2 ILE A 108 -6.557 -3.580 -9.039 1.00 11.13 C ATOM 1898 CD1 ILE A 108 -6.154 -5.992 -6.616 1.00 52.04 C ATOM 0 H ILE A 108 -4.084 -2.075 -9.772 1.00 13.10 H new ATOM 0 HA ILE A 108 -3.305 -4.591 -8.481 1.00 44.22 H new ATOM 0 HB ILE A 108 -5.331 -3.664 -7.313 1.00 35.41 H new ATOM 0 HG12 ILE A 108 -6.366 -6.053 -8.733 1.00 34.13 H new ATOM 0 HG13 ILE A 108 -4.717 -6.228 -8.167 1.00 34.13 H new ATOM 0 HG21 ILE A 108 -7.481 -3.704 -8.474 1.00 11.13 H new ATOM 0 HG22 ILE A 108 -6.367 -2.518 -9.195 1.00 11.13 H new ATOM 0 HG23 ILE A 108 -6.653 -4.077 -10.004 1.00 11.13 H new ATOM 0 HD11 ILE A 108 -6.303 -7.067 -6.514 1.00 52.04 H new ATOM 0 HD12 ILE A 108 -5.426 -5.655 -5.878 1.00 52.04 H new ATOM 0 HD13 ILE A 108 -7.101 -5.477 -6.452 1.00 52.04 H new ATOM 1910 N ILE A 109 -3.647 -5.787 -10.668 1.00 5.03 N ATOM 1911 CA ILE A 109 -3.730 -6.449 -11.963 1.00 60.42 C ATOM 1912 C ILE A 109 -4.454 -7.779 -11.845 1.00 52.15 C ATOM 1913 O ILE A 109 -4.121 -8.604 -10.992 1.00 62.33 O ATOM 1914 CB ILE A 109 -2.340 -6.678 -12.586 1.00 4.41 C ATOM 1915 CG1 ILE A 109 -1.384 -7.325 -11.570 1.00 44.01 C ATOM 1916 CG2 ILE A 109 -1.788 -5.363 -13.120 1.00 51.21 C ATOM 1917 CD1 ILE A 109 0.036 -6.796 -11.619 1.00 20.33 C ATOM 0 H ILE A 109 -3.110 -6.299 -9.968 1.00 5.03 H new ATOM 0 HA ILE A 109 -4.293 -5.784 -12.619 1.00 60.42 H new ATOM 0 HB ILE A 109 -2.436 -7.370 -13.422 1.00 4.41 H new ATOM 0 HG12 ILE A 109 -1.781 -7.171 -10.567 1.00 44.01 H new ATOM 0 HG13 ILE A 109 -1.364 -8.401 -11.743 1.00 44.01 H new ATOM 0 HG21 ILE A 109 -0.805 -5.533 -13.559 1.00 51.21 H new ATOM 0 HG22 ILE A 109 -2.462 -4.968 -13.880 1.00 51.21 H new ATOM 0 HG23 ILE A 109 -1.702 -4.646 -12.303 1.00 51.21 H new ATOM 0 HD11 ILE A 109 0.641 -7.307 -10.870 1.00 20.33 H new ATOM 0 HD12 ILE A 109 0.457 -6.975 -12.608 1.00 20.33 H new ATOM 0 HD13 ILE A 109 0.033 -5.725 -11.414 1.00 20.33 H new ATOM 1929 N GLY A 110 -5.445 -7.980 -12.706 1.00 40.35 N ATOM 1930 CA GLY A 110 -6.211 -9.215 -12.686 1.00 2.25 C ATOM 1931 C GLY A 110 -6.809 -9.503 -11.329 1.00 53.53 C ATOM 1932 O GLY A 110 -7.782 -8.870 -10.918 1.00 42.33 O ATOM 0 H GLY A 110 -5.733 -7.310 -13.419 1.00 40.35 H new ATOM 0 HA2 GLY A 110 -7.009 -9.156 -13.426 1.00 2.25 H new ATOM 0 HA3 GLY A 110 -5.566 -10.044 -12.979 1.00 2.25 H new ATOM 1936 N ASP A 111 -6.220 -10.465 -10.643 1.00 13.12 N ATOM 1937 CA ASP A 111 -6.677 -10.866 -9.318 1.00 4.21 C ATOM 1938 C ASP A 111 -5.527 -10.856 -8.301 1.00 14.11 C ATOM 1939 O ASP A 111 -5.546 -11.603 -7.322 1.00 4.43 O ATOM 1940 CB ASP A 111 -7.317 -12.253 -9.407 1.00 3.13 C ATOM 1941 CG ASP A 111 -8.228 -12.558 -8.230 1.00 20.42 C ATOM 1942 OD1 ASP A 111 -9.360 -12.033 -8.199 1.00 54.32 O ATOM 1943 OD2 ASP A 111 -7.810 -13.330 -7.342 1.00 22.43 O ATOM 0 H ASP A 111 -5.415 -10.991 -10.983 1.00 13.12 H new ATOM 0 HA ASP A 111 -7.418 -10.147 -8.968 1.00 4.21 H new ATOM 0 HB2 ASP A 111 -7.889 -12.325 -10.332 1.00 3.13 H new ATOM 0 HB3 ASP A 111 -6.532 -13.008 -9.458 1.00 3.13 H new ATOM 1948 N GLU A 112 -4.527 -10.003 -8.537 1.00 11.22 N ATOM 1949 CA GLU A 112 -3.375 -9.895 -7.644 1.00 2.02 C ATOM 1950 C GLU A 112 -3.011 -8.430 -7.402 1.00 34.30 C ATOM 1951 O GLU A 112 -2.880 -7.651 -8.350 1.00 53.14 O ATOM 1952 CB GLU A 112 -2.173 -10.642 -8.232 1.00 62.51 C ATOM 1953 CG GLU A 112 -2.163 -12.132 -7.915 1.00 21.30 C ATOM 1954 CD GLU A 112 -0.954 -12.558 -7.100 1.00 44.23 C ATOM 1955 OE1 GLU A 112 -0.698 -11.941 -6.045 1.00 53.22 O ATOM 1956 OE2 GLU A 112 -0.263 -13.511 -7.518 1.00 34.22 O ATOM 0 H GLU A 112 -4.494 -9.377 -9.341 1.00 11.22 H new ATOM 0 HA GLU A 112 -3.642 -10.348 -6.689 1.00 2.02 H new ATOM 0 HB2 GLU A 112 -2.168 -10.510 -9.314 1.00 62.51 H new ATOM 0 HB3 GLU A 112 -1.256 -10.193 -7.852 1.00 62.51 H new ATOM 0 HG2 GLU A 112 -3.071 -12.388 -7.369 1.00 21.30 H new ATOM 0 HG3 GLU A 112 -2.183 -12.696 -8.847 1.00 21.30 H new ATOM 1963 N LEU A 113 -2.848 -8.061 -6.130 1.00 43.42 N ATOM 1964 CA LEU A 113 -2.497 -6.689 -5.770 1.00 5.40 C ATOM 1965 C LEU A 113 -1.011 -6.450 -5.946 1.00 43.01 C ATOM 1966 O LEU A 113 -0.196 -7.347 -5.716 1.00 2.14 O ATOM 1967 CB LEU A 113 -2.894 -6.393 -4.323 1.00 4.00 C ATOM 1968 CG LEU A 113 -2.589 -4.969 -3.849 1.00 4.02 C ATOM 1969 CD1 LEU A 113 -3.502 -3.964 -4.535 1.00 0.24 C ATOM 1970 CD2 LEU A 113 -2.716 -4.870 -2.336 1.00 24.50 C ATOM 0 H LEU A 113 -2.953 -8.692 -5.335 1.00 43.42 H new ATOM 0 HA LEU A 113 -3.044 -6.020 -6.434 1.00 5.40 H new ATOM 0 HB2 LEU A 113 -3.962 -6.577 -4.210 1.00 4.00 H new ATOM 0 HB3 LEU A 113 -2.378 -7.096 -3.669 1.00 4.00 H new ATOM 0 HG LEU A 113 -1.561 -4.731 -4.121 1.00 4.02 H new ATOM 0 HD11 LEU A 113 -3.267 -2.960 -4.183 1.00 0.24 H new ATOM 0 HD12 LEU A 113 -3.353 -4.014 -5.614 1.00 0.24 H new ATOM 0 HD13 LEU A 113 -4.541 -4.197 -4.301 1.00 0.24 H new ATOM 0 HD21 LEU A 113 -2.496 -3.851 -2.018 1.00 24.50 H new ATOM 0 HD22 LEU A 113 -3.731 -5.131 -2.038 1.00 24.50 H new ATOM 0 HD23 LEU A 113 -2.012 -5.557 -1.866 1.00 24.50 H new ATOM 1982 N VAL A 114 -0.663 -5.239 -6.370 1.00 1.13 N ATOM 1983 CA VAL A 114 0.719 -4.894 -6.593 1.00 14.23 C ATOM 1984 C VAL A 114 1.083 -3.507 -6.081 1.00 13.24 C ATOM 1985 O VAL A 114 0.278 -2.575 -6.103 1.00 62.34 O ATOM 1986 CB VAL A 114 1.066 -4.947 -8.077 1.00 53.42 C ATOM 1987 CG1 VAL A 114 1.340 -6.374 -8.515 1.00 5.02 C ATOM 1988 CG2 VAL A 114 -0.018 -4.312 -8.921 1.00 54.41 C ATOM 0 H VAL A 114 -1.325 -4.487 -6.563 1.00 1.13 H new ATOM 0 HA VAL A 114 1.291 -5.634 -6.033 1.00 14.23 H new ATOM 0 HB VAL A 114 1.977 -4.367 -8.228 1.00 53.42 H new ATOM 0 HG11 VAL A 114 1.585 -6.388 -9.577 1.00 5.02 H new ATOM 0 HG12 VAL A 114 2.177 -6.776 -7.944 1.00 5.02 H new ATOM 0 HG13 VAL A 114 0.455 -6.985 -8.339 1.00 5.02 H new ATOM 0 HG21 VAL A 114 0.261 -4.367 -9.973 1.00 54.41 H new ATOM 0 HG22 VAL A 114 -0.957 -4.843 -8.767 1.00 54.41 H new ATOM 0 HG23 VAL A 114 -0.140 -3.268 -8.632 1.00 54.41 H new ATOM 1998 N GLN A 115 2.333 -3.394 -5.661 1.00 11.00 N ATOM 1999 CA GLN A 115 2.903 -2.142 -5.174 1.00 51.34 C ATOM 2000 C GLN A 115 4.333 -2.006 -5.692 1.00 4.24 C ATOM 2001 O GLN A 115 5.177 -2.859 -5.415 1.00 1.45 O ATOM 2002 CB GLN A 115 2.885 -2.092 -3.644 1.00 41.14 C ATOM 2003 CG GLN A 115 3.303 -0.745 -3.074 1.00 43.52 C ATOM 2004 CD GLN A 115 2.610 -0.412 -1.765 1.00 11.10 C ATOM 2005 OE1 GLN A 115 2.127 0.701 -1.582 1.00 2.40 O ATOM 2006 NE2 GLN A 115 2.567 -1.368 -0.843 1.00 40.24 N ATOM 0 H GLN A 115 2.989 -4.175 -5.647 1.00 11.00 H new ATOM 0 HA GLN A 115 2.301 -1.312 -5.542 1.00 51.34 H new ATOM 0 HB2 GLN A 115 1.881 -2.330 -3.293 1.00 41.14 H new ATOM 0 HB3 GLN A 115 3.550 -2.864 -3.256 1.00 41.14 H new ATOM 0 HG2 GLN A 115 4.382 -0.742 -2.918 1.00 43.52 H new ATOM 0 HG3 GLN A 115 3.084 0.035 -3.803 1.00 43.52 H new ATOM 0 HE21 GLN A 115 2.981 -2.280 -1.035 1.00 40.24 H new ATOM 0 HE22 GLN A 115 2.120 -1.189 0.056 1.00 40.24 H new ATOM 2015 N THR A 116 4.598 -0.951 -6.459 1.00 62.11 N ATOM 2016 CA THR A 116 5.929 -0.735 -7.026 1.00 35.22 C ATOM 2017 C THR A 116 6.738 0.255 -6.196 1.00 51.32 C ATOM 2018 O THR A 116 6.194 1.228 -5.681 1.00 61.55 O ATOM 2019 CB THR A 116 5.818 -0.225 -8.467 1.00 32.14 C ATOM 2020 OG1 THR A 116 4.791 -0.908 -9.169 1.00 12.40 O ATOM 2021 CG2 THR A 116 7.100 -0.381 -9.260 1.00 14.34 C ATOM 0 H THR A 116 3.913 -0.235 -6.702 1.00 62.11 H new ATOM 0 HA THR A 116 6.448 -1.694 -7.017 1.00 35.22 H new ATOM 0 HB THR A 116 5.592 0.838 -8.377 1.00 32.14 H new ATOM 0 HG1 THR A 116 4.737 -0.565 -10.085 1.00 12.40 H new ATOM 0 HG21 THR A 116 6.951 -0.000 -10.271 1.00 14.34 H new ATOM 0 HG22 THR A 116 7.899 0.180 -8.775 1.00 14.34 H new ATOM 0 HG23 THR A 116 7.373 -1.435 -9.306 1.00 14.34 H new ATOM 2029 N TYR A 117 8.044 0.006 -6.091 1.00 33.44 N ATOM 2030 CA TYR A 117 8.944 0.888 -5.348 1.00 20.44 C ATOM 2031 C TYR A 117 10.203 1.158 -6.157 1.00 14.33 C ATOM 2032 O TYR A 117 10.899 0.229 -6.577 1.00 51.24 O ATOM 2033 CB TYR A 117 9.356 0.302 -3.996 1.00 72.24 C ATOM 2034 CG TYR A 117 8.242 -0.344 -3.203 1.00 71.41 C ATOM 2035 CD1 TYR A 117 7.658 -1.534 -3.618 1.00 32.30 C ATOM 2036 CD2 TYR A 117 7.787 0.236 -2.026 1.00 54.33 C ATOM 2037 CE1 TYR A 117 6.650 -2.126 -2.884 1.00 32.12 C ATOM 2038 CE2 TYR A 117 6.781 -0.352 -1.284 1.00 31.21 C ATOM 2039 CZ TYR A 117 6.215 -1.533 -1.718 1.00 23.30 C ATOM 2040 OH TYR A 117 5.212 -2.126 -0.984 1.00 42.41 O ATOM 0 H TYR A 117 8.503 -0.802 -6.513 1.00 33.44 H new ATOM 0 HA TYR A 117 8.393 1.812 -5.169 1.00 20.44 H new ATOM 0 HB2 TYR A 117 10.137 -0.439 -4.163 1.00 72.24 H new ATOM 0 HB3 TYR A 117 9.795 1.097 -3.393 1.00 72.24 H new ATOM 0 HD1 TYR A 117 7.998 -2.003 -4.529 1.00 32.30 H new ATOM 0 HD2 TYR A 117 8.227 1.162 -1.685 1.00 54.33 H new ATOM 0 HE1 TYR A 117 6.204 -3.050 -3.222 1.00 32.12 H new ATOM 0 HE2 TYR A 117 6.440 0.110 -0.370 1.00 31.21 H new ATOM 0 HH TYR A 117 5.022 -1.583 -0.191 1.00 42.41 H new ATOM 2050 N VAL A 118 10.486 2.432 -6.362 1.00 74.42 N ATOM 2051 CA VAL A 118 11.665 2.849 -7.118 1.00 62.15 C ATOM 2052 C VAL A 118 12.742 3.419 -6.193 1.00 44.02 C ATOM 2053 O VAL A 118 12.473 4.319 -5.395 1.00 20.14 O ATOM 2054 CB VAL A 118 11.321 3.901 -8.195 1.00 22.43 C ATOM 2055 CG1 VAL A 118 12.253 3.744 -9.387 1.00 53.11 C ATOM 2056 CG2 VAL A 118 9.866 3.788 -8.635 1.00 42.23 C ATOM 0 H VAL A 118 9.915 3.203 -6.016 1.00 74.42 H new ATOM 0 HA VAL A 118 12.044 1.954 -7.612 1.00 62.15 H new ATOM 0 HB VAL A 118 11.459 4.892 -7.762 1.00 22.43 H new ATOM 0 HG11 VAL A 118 12.005 4.489 -10.143 1.00 53.11 H new ATOM 0 HG12 VAL A 118 13.284 3.885 -9.063 1.00 53.11 H new ATOM 0 HG13 VAL A 118 12.138 2.746 -9.810 1.00 53.11 H new ATOM 0 HG21 VAL A 118 9.656 4.542 -9.393 1.00 42.23 H new ATOM 0 HG22 VAL A 118 9.687 2.796 -9.050 1.00 42.23 H new ATOM 0 HG23 VAL A 118 9.213 3.945 -7.776 1.00 42.23 H new ATOM 2066 N TYR A 119 13.961 2.883 -6.309 1.00 3.24 N ATOM 2067 CA TYR A 119 15.091 3.325 -5.490 1.00 63.11 C ATOM 2068 C TYR A 119 16.355 3.446 -6.345 1.00 63.42 C ATOM 2069 O TYR A 119 16.941 2.438 -6.745 1.00 21.25 O ATOM 2070 CB TYR A 119 15.316 2.335 -4.335 1.00 44.42 C ATOM 2071 CG TYR A 119 16.265 2.815 -3.247 1.00 55.04 C ATOM 2072 CD1 TYR A 119 15.978 3.944 -2.478 1.00 42.53 C ATOM 2073 CD2 TYR A 119 17.442 2.118 -2.975 1.00 12.04 C ATOM 2074 CE1 TYR A 119 16.841 4.365 -1.474 1.00 25.40 C ATOM 2075 CE2 TYR A 119 18.305 2.526 -1.977 1.00 63.42 C ATOM 2076 CZ TYR A 119 18.001 3.650 -1.230 1.00 34.43 C ATOM 2077 OH TYR A 119 18.857 4.058 -0.234 1.00 61.11 O ATOM 0 H TYR A 119 14.190 2.138 -6.967 1.00 3.24 H new ATOM 0 HA TYR A 119 14.864 4.307 -5.074 1.00 63.11 H new ATOM 0 HB2 TYR A 119 14.352 2.107 -3.880 1.00 44.42 H new ATOM 0 HB3 TYR A 119 15.702 1.403 -4.747 1.00 44.42 H new ATOM 0 HD1 TYR A 119 15.071 4.499 -2.666 1.00 42.53 H new ATOM 0 HD2 TYR A 119 17.684 1.241 -3.557 1.00 12.04 H new ATOM 0 HE1 TYR A 119 16.609 5.243 -0.889 1.00 25.40 H new ATOM 0 HE2 TYR A 119 19.211 1.971 -1.781 1.00 63.42 H new ATOM 0 HH TYR A 119 19.623 3.448 -0.191 1.00 61.11 H new ATOM 2087 N GLU A 120 16.765 4.688 -6.619 1.00 75.32 N ATOM 2088 CA GLU A 120 17.961 4.970 -7.421 1.00 60.12 C ATOM 2089 C GLU A 120 17.905 4.311 -8.806 1.00 55.22 C ATOM 2090 O GLU A 120 18.866 3.668 -9.234 1.00 34.55 O ATOM 2091 CB GLU A 120 19.220 4.518 -6.669 1.00 12.03 C ATOM 2092 CG GLU A 120 19.450 5.253 -5.358 1.00 34.31 C ATOM 2093 CD GLU A 120 19.396 6.760 -5.517 1.00 12.43 C ATOM 2094 OE1 GLU A 120 18.288 7.326 -5.421 1.00 65.54 O ATOM 2095 OE2 GLU A 120 20.461 7.374 -5.741 1.00 2.14 O ATOM 0 H GLU A 120 16.280 5.524 -6.293 1.00 75.32 H new ATOM 0 HA GLU A 120 17.998 6.048 -7.579 1.00 60.12 H new ATOM 0 HB2 GLU A 120 19.147 3.449 -6.467 1.00 12.03 H new ATOM 0 HB3 GLU A 120 20.088 4.663 -7.313 1.00 12.03 H new ATOM 0 HG2 GLU A 120 18.698 4.941 -4.634 1.00 34.31 H new ATOM 0 HG3 GLU A 120 20.421 4.969 -4.952 1.00 34.31 H new ATOM 2102 N GLY A 121 16.782 4.482 -9.507 1.00 2.31 N ATOM 2103 CA GLY A 121 16.635 3.908 -10.841 1.00 60.42 C ATOM 2104 C GLY A 121 16.071 2.495 -10.834 1.00 63.33 C ATOM 2105 O GLY A 121 15.447 2.070 -11.809 1.00 25.31 O ATOM 0 H GLY A 121 15.972 5.007 -9.176 1.00 2.31 H new ATOM 0 HA2 GLY A 121 15.982 4.549 -11.434 1.00 60.42 H new ATOM 0 HA3 GLY A 121 17.607 3.900 -11.334 1.00 60.42 H new ATOM 2109 N VAL A 122 16.293 1.767 -9.740 1.00 64.25 N ATOM 2110 CA VAL A 122 15.809 0.398 -9.609 1.00 73.12 C ATOM 2111 C VAL A 122 14.343 0.385 -9.185 1.00 72.41 C ATOM 2112 O VAL A 122 13.993 0.906 -8.126 1.00 60.51 O ATOM 2113 CB VAL A 122 16.656 -0.388 -8.582 1.00 72.45 C ATOM 2114 CG1 VAL A 122 15.927 -1.637 -8.108 1.00 42.44 C ATOM 2115 CG2 VAL A 122 18.011 -0.747 -9.175 1.00 52.32 C ATOM 0 H VAL A 122 16.808 2.108 -8.928 1.00 64.25 H new ATOM 0 HA VAL A 122 15.901 -0.084 -10.582 1.00 73.12 H new ATOM 0 HB VAL A 122 16.816 0.252 -7.715 1.00 72.45 H new ATOM 0 HG11 VAL A 122 16.548 -2.169 -7.387 1.00 42.44 H new ATOM 0 HG12 VAL A 122 14.986 -1.352 -7.637 1.00 42.44 H new ATOM 0 HG13 VAL A 122 15.725 -2.286 -8.960 1.00 42.44 H new ATOM 0 HG21 VAL A 122 18.595 -1.300 -8.439 1.00 52.32 H new ATOM 0 HG22 VAL A 122 17.868 -1.363 -10.063 1.00 52.32 H new ATOM 0 HG23 VAL A 122 18.542 0.165 -9.448 1.00 52.32 H new ATOM 2125 N GLU A 123 13.493 -0.211 -10.020 1.00 34.40 N ATOM 2126 CA GLU A 123 12.067 -0.289 -9.732 1.00 3.04 C ATOM 2127 C GLU A 123 11.649 -1.727 -9.432 1.00 64.34 C ATOM 2128 O GLU A 123 11.476 -2.542 -10.341 1.00 64.33 O ATOM 2129 CB GLU A 123 11.255 0.273 -10.900 1.00 24.20 C ATOM 2130 CG GLU A 123 10.004 1.014 -10.464 1.00 63.23 C ATOM 2131 CD GLU A 123 9.097 1.368 -11.626 1.00 73.42 C ATOM 2132 OE1 GLU A 123 8.311 0.498 -12.054 1.00 12.54 O ATOM 2133 OE2 GLU A 123 9.173 2.516 -12.108 1.00 33.14 O ATOM 0 H GLU A 123 13.770 -0.646 -10.900 1.00 34.40 H new ATOM 0 HA GLU A 123 11.865 0.314 -8.846 1.00 3.04 H new ATOM 0 HB2 GLU A 123 11.885 0.948 -11.479 1.00 24.20 H new ATOM 0 HB3 GLU A 123 10.971 -0.545 -11.562 1.00 24.20 H new ATOM 0 HG2 GLU A 123 9.452 0.400 -9.752 1.00 63.23 H new ATOM 0 HG3 GLU A 123 10.291 1.927 -9.942 1.00 63.23 H new ATOM 2140 N ALA A 124 11.491 -2.025 -8.145 1.00 44.34 N ATOM 2141 CA ALA A 124 11.093 -3.356 -7.696 1.00 12.21 C ATOM 2142 C ALA A 124 9.673 -3.336 -7.137 1.00 3.45 C ATOM 2143 O ALA A 124 9.191 -2.292 -6.697 1.00 11.22 O ATOM 2144 CB ALA A 124 12.069 -3.856 -6.642 1.00 24.12 C ATOM 0 H ALA A 124 11.634 -1.356 -7.389 1.00 44.34 H new ATOM 0 HA ALA A 124 11.111 -4.033 -8.550 1.00 12.21 H new ATOM 0 HB1 ALA A 124 11.768 -4.850 -6.310 1.00 24.12 H new ATOM 0 HB2 ALA A 124 13.071 -3.904 -7.068 1.00 24.12 H new ATOM 0 HB3 ALA A 124 12.068 -3.173 -5.792 1.00 24.12 H new ATOM 2150 N LYS A 125 9.001 -4.490 -7.154 1.00 23.22 N ATOM 2151 CA LYS A 125 7.631 -4.576 -6.639 1.00 45.24 C ATOM 2152 C LYS A 125 7.335 -5.942 -6.015 1.00 34.12 C ATOM 2153 O LYS A 125 7.989 -6.941 -6.323 1.00 3.13 O ATOM 2154 CB LYS A 125 6.595 -4.280 -7.743 1.00 74.41 C ATOM 2155 CG LYS A 125 7.171 -4.148 -9.148 1.00 13.30 C ATOM 2156 CD LYS A 125 7.520 -5.506 -9.739 1.00 4.11 C ATOM 2157 CE LYS A 125 8.465 -5.378 -10.925 1.00 12.33 C ATOM 2158 NZ LYS A 125 8.113 -6.321 -12.026 1.00 1.01 N ATOM 0 H LYS A 125 9.377 -5.367 -7.514 1.00 23.22 H new ATOM 0 HA LYS A 125 7.549 -3.818 -5.860 1.00 45.24 H new ATOM 0 HB2 LYS A 125 5.851 -5.076 -7.745 1.00 74.41 H new ATOM 0 HB3 LYS A 125 6.073 -3.357 -7.492 1.00 74.41 H new ATOM 0 HG2 LYS A 125 6.450 -3.645 -9.792 1.00 13.30 H new ATOM 0 HG3 LYS A 125 8.063 -3.523 -9.119 1.00 13.30 H new ATOM 0 HD2 LYS A 125 7.981 -6.129 -8.972 1.00 4.11 H new ATOM 0 HD3 LYS A 125 6.607 -6.011 -10.054 1.00 4.11 H new ATOM 0 HE2 LYS A 125 8.438 -4.355 -11.301 1.00 12.33 H new ATOM 0 HE3 LYS A 125 9.487 -5.570 -10.597 1.00 12.33 H new ATOM 0 HZ1 LYS A 125 8.956 -6.866 -12.299 1.00 1.01 H new ATOM 0 HZ2 LYS A 125 7.369 -6.972 -11.701 1.00 1.01 H new ATOM 0 HZ3 LYS A 125 7.768 -5.783 -12.847 1.00 1.01 H new ATOM 2172 N ARG A 126 6.322 -5.963 -5.146 1.00 62.24 N ATOM 2173 CA ARG A 126 5.880 -7.181 -4.469 1.00 12.32 C ATOM 2174 C ARG A 126 4.428 -7.467 -4.836 1.00 62.22 C ATOM 2175 O ARG A 126 3.580 -6.570 -4.786 1.00 33.43 O ATOM 2176 CB ARG A 126 6.016 -7.034 -2.951 1.00 44.04 C ATOM 2177 CG ARG A 126 5.876 -8.349 -2.197 1.00 2.12 C ATOM 2178 CD ARG A 126 7.082 -8.619 -1.308 1.00 11.30 C ATOM 2179 NE ARG A 126 7.479 -10.029 -1.323 1.00 11.52 N ATOM 2180 CZ ARG A 126 8.499 -10.526 -0.617 1.00 5.52 C ATOM 2181 NH1 ARG A 126 9.227 -9.732 0.163 1.00 3.04 N ATOM 2182 NH2 ARG A 126 8.795 -11.821 -0.688 1.00 62.22 N ATOM 0 H ARG A 126 5.785 -5.134 -4.892 1.00 62.24 H new ATOM 0 HA ARG A 126 6.508 -8.011 -4.791 1.00 12.32 H new ATOM 0 HB2 ARG A 126 6.987 -6.595 -2.722 1.00 44.04 H new ATOM 0 HB3 ARG A 126 5.259 -6.337 -2.592 1.00 44.04 H new ATOM 0 HG2 ARG A 126 4.973 -8.325 -1.587 1.00 2.12 H new ATOM 0 HG3 ARG A 126 5.758 -9.166 -2.909 1.00 2.12 H new ATOM 0 HD2 ARG A 126 7.919 -8.005 -1.639 1.00 11.30 H new ATOM 0 HD3 ARG A 126 6.851 -8.320 -0.286 1.00 11.30 H new ATOM 0 HE ARG A 126 6.944 -10.671 -1.908 1.00 11.52 H new ATOM 0 HH11 ARG A 126 9.008 -8.738 0.225 1.00 3.04 H new ATOM 0 HH12 ARG A 126 10.004 -10.117 0.699 1.00 3.04 H new ATOM 0 HH21 ARG A 126 8.243 -12.439 -1.283 1.00 62.22 H new ATOM 0 HH22 ARG A 126 9.574 -12.196 -0.148 1.00 62.22 H new ATOM 2196 N ILE A 127 4.149 -8.711 -5.209 1.00 60.44 N ATOM 2197 CA ILE A 127 2.800 -9.114 -5.588 1.00 55.24 C ATOM 2198 C ILE A 127 2.140 -9.896 -4.457 1.00 34.20 C ATOM 2199 O ILE A 127 2.615 -10.966 -4.069 1.00 73.23 O ATOM 2200 CB ILE A 127 2.808 -9.975 -6.867 1.00 21.42 C ATOM 2201 CG1 ILE A 127 3.588 -9.279 -7.986 1.00 53.42 C ATOM 2202 CG2 ILE A 127 1.388 -10.278 -7.316 1.00 53.35 C ATOM 2203 CD1 ILE A 127 3.784 -10.143 -9.213 1.00 20.21 C ATOM 0 H ILE A 127 4.841 -9.459 -5.257 1.00 60.44 H new ATOM 0 HA ILE A 127 2.231 -8.205 -5.785 1.00 55.24 H new ATOM 0 HB ILE A 127 3.306 -10.917 -6.639 1.00 21.42 H new ATOM 0 HG12 ILE A 127 3.062 -8.369 -8.273 1.00 53.42 H new ATOM 0 HG13 ILE A 127 4.563 -8.977 -7.605 1.00 53.42 H new ATOM 0 HG21 ILE A 127 1.414 -10.886 -8.220 1.00 53.35 H new ATOM 0 HG22 ILE A 127 0.865 -10.821 -6.528 1.00 53.35 H new ATOM 0 HG23 ILE A 127 0.865 -9.344 -7.522 1.00 53.35 H new ATOM 0 HD11 ILE A 127 4.344 -9.586 -9.964 1.00 20.21 H new ATOM 0 HD12 ILE A 127 4.337 -11.042 -8.940 1.00 20.21 H new ATOM 0 HD13 ILE A 127 2.812 -10.424 -9.619 1.00 20.21 H new ATOM 2215 N PHE A 128 1.050 -9.351 -3.922 1.00 4.04 N ATOM 2216 CA PHE A 128 0.334 -9.996 -2.826 1.00 24.12 C ATOM 2217 C PHE A 128 -0.982 -10.599 -3.308 1.00 12.40 C ATOM 2218 O PHE A 128 -1.801 -9.914 -3.927 1.00 74.43 O ATOM 2219 CB PHE A 128 0.048 -8.991 -1.702 1.00 12.01 C ATOM 2220 CG PHE A 128 1.205 -8.086 -1.375 1.00 34.22 C ATOM 2221 CD1 PHE A 128 1.419 -6.924 -2.101 1.00 54.02 C ATOM 2222 CD2 PHE A 128 2.073 -8.395 -0.340 1.00 33.20 C ATOM 2223 CE1 PHE A 128 2.478 -6.089 -1.802 1.00 45.01 C ATOM 2224 CE2 PHE A 128 3.134 -7.563 -0.037 1.00 64.21 C ATOM 2225 CZ PHE A 128 3.337 -6.409 -0.768 1.00 14.11 C ATOM 0 H PHE A 128 0.645 -8.467 -4.229 1.00 4.04 H new ATOM 0 HA PHE A 128 0.970 -10.795 -2.445 1.00 24.12 H new ATOM 0 HB2 PHE A 128 -0.808 -8.379 -1.986 1.00 12.01 H new ATOM 0 HB3 PHE A 128 -0.236 -9.539 -0.803 1.00 12.01 H new ATOM 0 HD1 PHE A 128 0.750 -6.669 -2.910 1.00 54.02 H new ATOM 0 HD2 PHE A 128 1.919 -9.296 0.236 1.00 33.20 H new ATOM 0 HE1 PHE A 128 2.634 -5.187 -2.376 1.00 45.01 H new ATOM 0 HE2 PHE A 128 3.804 -7.815 0.771 1.00 64.21 H new ATOM 0 HZ PHE A 128 4.166 -5.758 -0.532 1.00 14.11 H new ATOM 2235 N LYS A 129 -1.188 -11.879 -3.001 1.00 52.01 N ATOM 2236 CA LYS A 129 -2.416 -12.579 -3.383 1.00 61.23 C ATOM 2237 C LYS A 129 -3.278 -12.815 -2.150 1.00 52.55 C ATOM 2238 O LYS A 129 -2.755 -13.053 -1.060 1.00 32.11 O ATOM 2239 CB LYS A 129 -2.093 -13.919 -4.056 1.00 5.34 C ATOM 2240 CG LYS A 129 -3.311 -14.802 -4.310 1.00 21.43 C ATOM 2241 CD LYS A 129 -3.032 -16.264 -3.982 1.00 54.41 C ATOM 2242 CE LYS A 129 -2.805 -16.478 -2.492 1.00 61.32 C ATOM 2243 NZ LYS A 129 -3.814 -17.397 -1.892 1.00 60.31 N ATOM 0 H LYS A 129 -0.520 -12.454 -2.488 1.00 52.01 H new ATOM 0 HA LYS A 129 -2.960 -11.959 -4.095 1.00 61.23 H new ATOM 0 HB2 LYS A 129 -1.595 -13.725 -5.006 1.00 5.34 H new ATOM 0 HB3 LYS A 129 -1.386 -14.465 -3.431 1.00 5.34 H new ATOM 0 HG2 LYS A 129 -4.148 -14.448 -3.708 1.00 21.43 H new ATOM 0 HG3 LYS A 129 -3.611 -14.715 -5.354 1.00 21.43 H new ATOM 0 HD2 LYS A 129 -3.870 -16.877 -4.313 1.00 54.41 H new ATOM 0 HD3 LYS A 129 -2.154 -16.599 -4.535 1.00 54.41 H new ATOM 0 HE2 LYS A 129 -1.806 -16.885 -2.334 1.00 61.32 H new ATOM 0 HE3 LYS A 129 -2.842 -15.517 -1.979 1.00 61.32 H new ATOM 0 HZ1 LYS A 129 -4.554 -16.839 -1.420 1.00 60.31 H new ATOM 0 HZ2 LYS A 129 -4.243 -17.978 -2.640 1.00 60.31 H new ATOM 0 HZ3 LYS A 129 -3.350 -18.016 -1.197 1.00 60.31 H new ATOM 2257 N LYS A 130 -4.600 -12.742 -2.326 1.00 40.21 N ATOM 2258 CA LYS A 130 -5.535 -12.944 -1.214 1.00 43.41 C ATOM 2259 C LYS A 130 -5.123 -14.134 -0.370 1.00 13.11 C ATOM 2260 O LYS A 130 -4.690 -15.158 -0.892 1.00 23.14 O ATOM 2261 CB LYS A 130 -6.957 -13.183 -1.692 1.00 53.25 C ATOM 2262 CG LYS A 130 -7.412 -12.250 -2.802 1.00 51.34 C ATOM 2263 CD LYS A 130 -8.228 -11.096 -2.246 1.00 25.40 C ATOM 2264 CE LYS A 130 -9.696 -11.258 -2.583 1.00 34.45 C ATOM 2265 NZ LYS A 130 -10.341 -9.963 -2.931 1.00 32.53 N ATOM 0 H LYS A 130 -5.046 -12.546 -3.222 1.00 40.21 H new ATOM 0 HA LYS A 130 -5.504 -12.027 -0.626 1.00 43.41 H new ATOM 0 HB2 LYS A 130 -7.042 -14.212 -2.042 1.00 53.25 H new ATOM 0 HB3 LYS A 130 -7.635 -13.077 -0.845 1.00 53.25 H new ATOM 0 HG2 LYS A 130 -6.543 -11.862 -3.334 1.00 51.34 H new ATOM 0 HG3 LYS A 130 -8.008 -12.805 -3.526 1.00 51.34 H new ATOM 0 HD2 LYS A 130 -8.103 -11.045 -1.164 1.00 25.40 H new ATOM 0 HD3 LYS A 130 -7.859 -10.155 -2.654 1.00 25.40 H new ATOM 0 HE2 LYS A 130 -9.801 -11.950 -3.419 1.00 34.45 H new ATOM 0 HE3 LYS A 130 -10.215 -11.703 -1.734 1.00 34.45 H new ATOM 0 HZ1 LYS A 130 -11.263 -10.143 -3.378 1.00 32.53 H new ATOM 0 HZ2 LYS A 130 -10.479 -9.401 -2.067 1.00 32.53 H new ATOM 0 HZ3 LYS A 130 -9.733 -9.439 -3.592 1.00 32.53 H new ATOM 2279 N ASP A 131 -5.272 -13.997 0.929 1.00 33.44 N ATOM 2280 CA ASP A 131 -4.917 -15.067 1.841 1.00 55.01 C ATOM 2281 C ASP A 131 -6.151 -15.884 2.226 1.00 62.41 C ATOM 2282 O ASP A 131 -6.948 -15.400 3.059 1.00 62.41 O ATOM 2283 CB ASP A 131 -4.236 -14.495 3.090 1.00 0.44 C ATOM 2284 CG ASP A 131 -3.662 -15.574 3.984 1.00 25.35 C ATOM 2285 OD1 ASP A 131 -2.521 -16.010 3.733 1.00 75.41 O ATOM 2286 OD2 ASP A 131 -4.353 -15.978 4.942 1.00 15.32 O ATOM 2287 OXT ASP A 131 -6.311 -16.999 1.687 1.00 62.41 O ATOM 0 H ASP A 131 -5.636 -13.157 1.379 1.00 33.44 H new ATOM 0 HA ASP A 131 -4.216 -15.732 1.336 1.00 55.01 H new ATOM 0 HB2 ASP A 131 -3.438 -13.817 2.786 1.00 0.44 H new ATOM 0 HB3 ASP A 131 -4.958 -13.905 3.655 1.00 0.44 H new