USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 761 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 16 GLN : amide:sc= -1.57 K(o=-1.3,f=0.13) USER MOD Set 1.2: A 25 SER OG : rot -12:sc= 0.252 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.484 K(o=-0.48,f=-2.5!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -117:sc= -1.25 (180deg=-2.27) USER MOD Single : A 34 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.36) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -155:sc= -0.338 (180deg=-0.904) USER MOD Single : A 42 TYR OH : rot -63:sc= 0.963 USER MOD Single : A 45 MET CE :methyl 168:sc= 0 (180deg=-0.164) USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= -0.121 (180deg=-0.886) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.101) USER MOD Single : A 51 TYR OH : rot -1:sc= 0.266 USER MOD Single : A 52 ASN : amide:sc= -2.95! C(o=-2.9!,f=-3.3!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot -130:sc= -0.558 USER MOD Single : A 63 TYR OH : rot -133:sc= 0.43 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.86 K(o=-0.86,f=-4.3!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -2.67! K(o=-2.7!,f=-0.76) USER MOD Single : A 76 LYS NZ :NH3+ 169:sc=-0.00329 (180deg=-0.155) USER MOD Single : A 82 LYS NZ :NH3+ 166:sc= -0.712 (180deg=-1.09) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 158:sc= -0.0779 (180deg=-0.64) USER MOD ----------------------------------------------------------------- ATOM 79 N PRO A 6 15.502 -9.840 3.591 1.00 1.00 N ATOM 80 CA PRO A 6 14.125 -10.131 4.076 1.00 1.00 C ATOM 81 C PRO A 6 13.192 -10.554 2.945 1.00 1.00 C ATOM 82 O PRO A 6 11.973 -10.584 3.105 1.00 1.00 O ATOM 83 CB PRO A 6 13.673 -8.813 4.728 1.00 1.00 C ATOM 84 CG PRO A 6 14.449 -7.736 4.026 1.00 1.00 C ATOM 85 CD PRO A 6 15.744 -8.380 3.501 1.00 1.00 C ATOM 0 HA PRO A 6 14.104 -10.970 4.772 1.00 1.00 H new ATOM 0 HB2 PRO A 6 12.600 -8.664 4.611 1.00 1.00 H new ATOM 0 HB3 PRO A 6 13.880 -8.813 5.798 1.00 1.00 H new ATOM 0 HG2 PRO A 6 13.868 -7.315 3.205 1.00 1.00 H new ATOM 0 HG3 PRO A 6 14.675 -6.917 4.709 1.00 1.00 H new ATOM 0 HD2 PRO A 6 15.950 -8.075 2.475 1.00 1.00 H new ATOM 0 HD3 PRO A 6 16.605 -8.084 4.100 1.00 1.00 H new ATOM 93 N GLU A 7 13.742 -10.889 1.782 1.00 1.00 N ATOM 94 CA GLU A 7 12.942 -11.310 0.644 1.00 1.00 C ATOM 95 C GLU A 7 12.264 -12.643 0.929 1.00 1.00 C ATOM 96 O GLU A 7 11.306 -13.004 0.244 1.00 1.00 O ATOM 97 CB GLU A 7 13.832 -11.437 -0.597 1.00 1.00 C ATOM 98 CG GLU A 7 14.303 -10.050 -1.052 1.00 1.00 C ATOM 99 CD GLU A 7 13.131 -9.259 -1.630 1.00 1.00 C ATOM 100 OE1 GLU A 7 12.159 -9.882 -2.026 1.00 1.00 O ATOM 101 OE2 GLU A 7 13.230 -8.047 -1.686 1.00 1.00 O ATOM 0 H GLU A 7 14.747 -10.876 1.605 1.00 1.00 H new ATOM 0 HA GLU A 7 12.172 -10.559 0.464 1.00 1.00 H new ATOM 0 HB2 GLU A 7 14.693 -12.067 -0.374 1.00 1.00 H new ATOM 0 HB3 GLU A 7 13.281 -11.924 -1.401 1.00 1.00 H new ATOM 0 HG2 GLU A 7 14.735 -9.510 -0.210 1.00 1.00 H new ATOM 0 HG3 GLU A 7 15.088 -10.152 -1.802 1.00 1.00 H new ATOM 108 N GLU A 8 12.754 -13.361 1.934 1.00 1.00 N ATOM 109 CA GLU A 8 12.181 -14.655 2.296 1.00 1.00 C ATOM 110 C GLU A 8 10.801 -14.470 2.920 1.00 1.00 C ATOM 111 O GLU A 8 9.893 -15.271 2.702 1.00 1.00 O ATOM 112 CB GLU A 8 13.101 -15.379 3.287 1.00 1.00 C ATOM 113 CG GLU A 8 12.655 -16.841 3.450 1.00 1.00 C ATOM 114 CD GLU A 8 12.975 -17.634 2.185 1.00 1.00 C ATOM 115 OE1 GLU A 8 13.631 -17.087 1.313 1.00 1.00 O ATOM 116 OE2 GLU A 8 12.560 -18.779 2.108 1.00 1.00 O ATOM 0 H GLU A 8 13.544 -13.071 2.511 1.00 1.00 H new ATOM 0 HA GLU A 8 12.083 -15.255 1.391 1.00 1.00 H new ATOM 0 HB2 GLU A 8 14.131 -15.342 2.933 1.00 1.00 H new ATOM 0 HB3 GLU A 8 13.078 -14.874 4.253 1.00 1.00 H new ATOM 0 HG2 GLU A 8 13.159 -17.289 4.306 1.00 1.00 H new ATOM 0 HG3 GLU A 8 11.585 -16.882 3.653 1.00 1.00 H new ATOM 123 N TYR A 9 10.641 -13.410 3.705 1.00 1.00 N ATOM 124 CA TYR A 9 9.373 -13.119 4.358 1.00 1.00 C ATOM 125 C TYR A 9 8.279 -12.882 3.323 1.00 1.00 C ATOM 126 O TYR A 9 7.095 -13.066 3.605 1.00 1.00 O ATOM 127 CB TYR A 9 9.523 -11.894 5.272 1.00 1.00 C ATOM 128 CG TYR A 9 10.704 -12.080 6.228 1.00 1.00 C ATOM 129 CD1 TYR A 9 10.956 -13.322 6.847 1.00 1.00 C ATOM 130 CD2 TYR A 9 11.563 -11.001 6.486 1.00 1.00 C ATOM 131 CE1 TYR A 9 12.049 -13.470 7.705 1.00 1.00 C ATOM 132 CE2 TYR A 9 12.658 -11.158 7.344 1.00 1.00 C ATOM 133 CZ TYR A 9 12.899 -12.394 7.951 1.00 1.00 C ATOM 134 OH TYR A 9 13.973 -12.552 8.798 1.00 1.00 O ATOM 0 H TYR A 9 11.380 -12.735 3.904 1.00 1.00 H new ATOM 0 HA TYR A 9 9.087 -13.978 4.965 1.00 1.00 H new ATOM 0 HB2 TYR A 9 9.673 -10.999 4.669 1.00 1.00 H new ATOM 0 HB3 TYR A 9 8.606 -11.744 5.842 1.00 1.00 H new ATOM 0 HD1 TYR A 9 10.303 -14.161 6.657 1.00 1.00 H new ATOM 0 HD2 TYR A 9 11.378 -10.044 6.020 1.00 1.00 H new ATOM 0 HE1 TYR A 9 12.236 -14.422 8.179 1.00 1.00 H new ATOM 0 HE2 TYR A 9 13.317 -10.324 7.537 1.00 1.00 H new ATOM 0 HH TYR A 9 14.466 -11.708 8.862 1.00 1.00 H new ATOM 144 N TYR A 10 8.652 -12.477 2.112 1.00 1.00 N ATOM 145 CA TYR A 10 7.692 -12.224 1.041 1.00 1.00 C ATOM 146 C TYR A 10 6.725 -13.405 0.899 1.00 1.00 C ATOM 147 O TYR A 10 5.664 -13.297 0.286 1.00 1.00 O ATOM 148 CB TYR A 10 8.452 -11.979 -0.287 1.00 1.00 C ATOM 149 CG TYR A 10 8.619 -13.292 -1.052 1.00 1.00 C ATOM 150 CD1 TYR A 10 9.134 -14.414 -0.393 1.00 1.00 C ATOM 151 CD2 TYR A 10 8.231 -13.391 -2.394 1.00 1.00 C ATOM 152 CE1 TYR A 10 9.263 -15.631 -1.066 1.00 1.00 C ATOM 153 CE2 TYR A 10 8.365 -14.610 -3.072 1.00 1.00 C ATOM 154 CZ TYR A 10 8.878 -15.730 -2.406 1.00 1.00 C ATOM 155 OH TYR A 10 9.002 -16.933 -3.070 1.00 1.00 O ATOM 0 H TYR A 10 9.623 -12.316 1.846 1.00 1.00 H new ATOM 0 HA TYR A 10 7.108 -11.337 1.285 1.00 1.00 H new ATOM 0 HB2 TYR A 10 7.907 -11.260 -0.899 1.00 1.00 H new ATOM 0 HB3 TYR A 10 9.430 -11.544 -0.080 1.00 1.00 H new ATOM 0 HD1 TYR A 10 9.433 -14.338 0.642 1.00 1.00 H new ATOM 0 HD2 TYR A 10 7.829 -12.529 -2.906 1.00 1.00 H new ATOM 0 HE1 TYR A 10 9.660 -16.494 -0.552 1.00 1.00 H new ATOM 0 HE2 TYR A 10 8.072 -14.686 -4.109 1.00 1.00 H new ATOM 0 HH TYR A 10 8.689 -16.831 -3.993 1.00 1.00 H new ATOM 165 N LEU A 11 7.084 -14.552 1.467 1.00 1.00 N ATOM 166 CA LEU A 11 6.244 -15.754 1.397 1.00 1.00 C ATOM 167 C LEU A 11 4.774 -15.403 1.590 1.00 1.00 C ATOM 168 O LEU A 11 3.894 -16.146 1.157 1.00 1.00 O ATOM 169 CB LEU A 11 6.693 -16.765 2.472 1.00 1.00 C ATOM 170 CG LEU A 11 6.244 -16.315 3.905 1.00 1.00 C ATOM 171 CD1 LEU A 11 4.941 -17.032 4.325 1.00 1.00 C ATOM 172 CD2 LEU A 11 7.342 -16.652 4.935 1.00 1.00 C ATOM 0 H LEU A 11 7.954 -14.680 1.984 1.00 1.00 H new ATOM 0 HA LEU A 11 6.359 -16.200 0.409 1.00 1.00 H new ATOM 0 HB2 LEU A 11 6.273 -17.746 2.249 1.00 1.00 H new ATOM 0 HB3 LEU A 11 7.778 -16.869 2.445 1.00 1.00 H new ATOM 0 HG LEU A 11 6.072 -15.239 3.877 1.00 1.00 H new ATOM 0 HD11 LEU A 11 4.650 -16.703 5.323 1.00 1.00 H new ATOM 0 HD12 LEU A 11 4.148 -16.790 3.617 1.00 1.00 H new ATOM 0 HD13 LEU A 11 5.105 -18.110 4.332 1.00 1.00 H new ATOM 0 HD21 LEU A 11 7.020 -16.335 5.927 1.00 1.00 H new ATOM 0 HD22 LEU A 11 7.521 -17.727 4.938 1.00 1.00 H new ATOM 0 HD23 LEU A 11 8.262 -16.132 4.669 1.00 1.00 H new ATOM 184 N GLU A 12 4.554 -14.263 2.237 1.00 1.00 N ATOM 185 CA GLU A 12 3.201 -13.822 2.484 1.00 1.00 C ATOM 186 C GLU A 12 2.441 -13.668 1.179 1.00 1.00 C ATOM 187 O GLU A 12 1.332 -14.184 1.050 1.00 1.00 O ATOM 188 CB GLU A 12 3.222 -12.491 3.244 1.00 1.00 C ATOM 189 CG GLU A 12 4.005 -11.395 2.464 1.00 1.00 C ATOM 190 CD GLU A 12 3.077 -10.593 1.544 1.00 1.00 C ATOM 191 OE1 GLU A 12 1.970 -11.043 1.304 1.00 1.00 O ATOM 192 OE2 GLU A 12 3.496 -9.540 1.091 1.00 1.00 O ATOM 0 H GLU A 12 5.284 -13.644 2.590 1.00 1.00 H new ATOM 0 HA GLU A 12 2.693 -14.573 3.089 1.00 1.00 H new ATOM 0 HB2 GLU A 12 2.200 -12.154 3.417 1.00 1.00 H new ATOM 0 HB3 GLU A 12 3.679 -12.638 4.223 1.00 1.00 H new ATOM 0 HG2 GLU A 12 4.491 -10.721 3.170 1.00 1.00 H new ATOM 0 HG3 GLU A 12 4.793 -11.860 1.872 1.00 1.00 H new ATOM 199 N GLY A 13 3.061 -12.960 0.241 1.00 1.00 N ATOM 200 CA GLY A 13 2.453 -12.733 -1.073 1.00 1.00 C ATOM 201 C GLY A 13 1.693 -13.972 -1.544 1.00 1.00 C ATOM 202 O GLY A 13 0.605 -13.875 -2.110 1.00 1.00 O ATOM 0 H GLY A 13 3.980 -12.534 0.361 1.00 1.00 H new ATOM 0 HA2 GLY A 13 1.773 -11.882 -1.022 1.00 1.00 H new ATOM 0 HA3 GLY A 13 3.227 -12.479 -1.797 1.00 1.00 H new ATOM 206 N VAL A 14 2.272 -15.143 -1.301 1.00 1.00 N ATOM 207 CA VAL A 14 1.625 -16.381 -1.706 1.00 1.00 C ATOM 208 C VAL A 14 0.352 -16.606 -0.910 1.00 1.00 C ATOM 209 O VAL A 14 -0.727 -16.724 -1.490 1.00 1.00 O ATOM 210 CB VAL A 14 2.574 -17.557 -1.451 1.00 1.00 C ATOM 211 CG1 VAL A 14 1.924 -18.868 -1.909 1.00 1.00 C ATOM 212 CG2 VAL A 14 3.882 -17.334 -2.212 1.00 1.00 C ATOM 0 H VAL A 14 3.171 -15.259 -0.834 1.00 1.00 H new ATOM 0 HA VAL A 14 1.378 -16.311 -2.765 1.00 1.00 H new ATOM 0 HB VAL A 14 2.783 -17.621 -0.383 1.00 1.00 H new ATOM 0 HG11 VAL A 14 2.607 -19.697 -1.723 1.00 1.00 H new ATOM 0 HG12 VAL A 14 0.999 -19.029 -1.355 1.00 1.00 H new ATOM 0 HG13 VAL A 14 1.703 -18.812 -2.975 1.00 1.00 H new ATOM 0 HG21 VAL A 14 4.556 -18.171 -2.030 1.00 1.00 H new ATOM 0 HG22 VAL A 14 3.674 -17.261 -3.279 1.00 1.00 H new ATOM 0 HG23 VAL A 14 4.349 -16.411 -1.870 1.00 1.00 H new ATOM 222 N LEU A 15 0.459 -16.662 0.415 1.00 1.00 N ATOM 223 CA LEU A 15 -0.703 -16.883 1.269 1.00 1.00 C ATOM 224 C LEU A 15 -1.888 -16.036 0.788 1.00 1.00 C ATOM 225 O LEU A 15 -2.901 -16.587 0.357 1.00 1.00 O ATOM 226 CB LEU A 15 -0.380 -16.496 2.720 1.00 1.00 C ATOM 227 CG LEU A 15 0.952 -17.113 3.168 1.00 1.00 C ATOM 228 CD1 LEU A 15 1.161 -16.817 4.658 1.00 1.00 C ATOM 229 CD2 LEU A 15 0.942 -18.634 2.936 1.00 1.00 C ATOM 0 H LEU A 15 1.339 -16.557 0.920 1.00 1.00 H new ATOM 0 HA LEU A 15 -0.962 -17.941 1.218 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -0.331 -15.411 2.809 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -1.181 -16.834 3.378 1.00 1.00 H new ATOM 0 HG LEU A 15 1.765 -16.680 2.585 1.00 1.00 H new ATOM 0 HD11 LEU A 15 2.105 -17.251 4.986 1.00 1.00 H new ATOM 0 HD12 LEU A 15 1.184 -15.739 4.815 1.00 1.00 H new ATOM 0 HD13 LEU A 15 0.343 -17.250 5.233 1.00 1.00 H new ATOM 0 HD21 LEU A 15 1.893 -19.057 3.258 1.00 1.00 H new ATOM 0 HD22 LEU A 15 0.131 -19.084 3.509 1.00 1.00 H new ATOM 0 HD23 LEU A 15 0.794 -18.839 1.876 1.00 1.00 H new ATOM 241 N GLN A 16 -1.760 -14.714 0.844 1.00 1.00 N ATOM 242 CA GLN A 16 -2.834 -13.831 0.388 1.00 1.00 C ATOM 243 C GLN A 16 -3.302 -14.235 -1.006 1.00 1.00 C ATOM 244 O GLN A 16 -4.486 -14.499 -1.216 1.00 1.00 O ATOM 245 CB GLN A 16 -2.329 -12.380 0.357 1.00 1.00 C ATOM 246 CG GLN A 16 -2.070 -11.887 1.784 1.00 1.00 C ATOM 247 CD GLN A 16 -1.458 -10.489 1.753 1.00 1.00 C ATOM 248 OE1 GLN A 16 -1.948 -9.611 1.044 1.00 1.00 O ATOM 249 NE2 GLN A 16 -0.410 -10.230 2.486 1.00 1.00 N ATOM 0 H GLN A 16 -0.933 -14.232 1.196 1.00 1.00 H new ATOM 0 HA GLN A 16 -3.673 -13.915 1.079 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -1.413 -12.317 -0.231 1.00 1.00 H new ATOM 0 HB3 GLN A 16 -3.065 -11.740 -0.130 1.00 1.00 H new ATOM 0 HG2 GLN A 16 -3.003 -11.871 2.347 1.00 1.00 H new ATOM 0 HG3 GLN A 16 -1.399 -12.575 2.299 1.00 1.00 H new ATOM 0 HE21 GLN A 16 -0.005 -10.959 3.073 1.00 1.00 H new ATOM 0 HE22 GLN A 16 0.005 -9.298 2.472 1.00 1.00 H new ATOM 258 N TYR A 17 -2.390 -14.307 -1.971 1.00 1.00 N ATOM 259 CA TYR A 17 -2.756 -14.695 -3.331 1.00 1.00 C ATOM 260 C TYR A 17 -3.662 -15.933 -3.320 1.00 1.00 C ATOM 261 O TYR A 17 -4.796 -15.871 -3.797 1.00 1.00 O ATOM 262 CB TYR A 17 -1.484 -15.009 -4.124 1.00 1.00 C ATOM 263 CG TYR A 17 -1.847 -15.385 -5.543 1.00 1.00 C ATOM 264 CD1 TYR A 17 -1.963 -14.388 -6.517 1.00 1.00 C ATOM 265 CD2 TYR A 17 -2.060 -16.727 -5.886 1.00 1.00 C ATOM 266 CE1 TYR A 17 -2.295 -14.729 -7.831 1.00 1.00 C ATOM 267 CE2 TYR A 17 -2.392 -17.069 -7.202 1.00 1.00 C ATOM 268 CZ TYR A 17 -2.508 -16.070 -8.174 1.00 1.00 C ATOM 269 OH TYR A 17 -2.833 -16.406 -9.472 1.00 1.00 O ATOM 0 H TYR A 17 -1.399 -14.104 -1.839 1.00 1.00 H new ATOM 0 HA TYR A 17 -3.298 -13.871 -3.795 1.00 1.00 H new ATOM 0 HB2 TYR A 17 -0.822 -14.143 -4.125 1.00 1.00 H new ATOM 0 HB3 TYR A 17 -0.940 -15.826 -3.649 1.00 1.00 H new ATOM 0 HD1 TYR A 17 -1.796 -13.354 -6.254 1.00 1.00 H new ATOM 0 HD2 TYR A 17 -1.968 -17.497 -5.135 1.00 1.00 H new ATOM 0 HE1 TYR A 17 -2.387 -13.958 -8.582 1.00 1.00 H new ATOM 0 HE2 TYR A 17 -2.558 -18.103 -7.467 1.00 1.00 H new ATOM 0 HH TYR A 17 -2.946 -17.377 -9.540 1.00 1.00 H new ATOM 279 N ASP A 18 -3.159 -17.037 -2.777 1.00 1.00 N ATOM 280 CA ASP A 18 -3.947 -18.270 -2.713 1.00 1.00 C ATOM 281 C ASP A 18 -5.052 -18.149 -1.664 1.00 1.00 C ATOM 282 O ASP A 18 -6.239 -18.150 -1.991 1.00 1.00 O ATOM 283 CB ASP A 18 -3.036 -19.452 -2.360 1.00 1.00 C ATOM 284 CG ASP A 18 -3.853 -20.741 -2.289 1.00 1.00 C ATOM 285 OD1 ASP A 18 -4.532 -21.042 -3.257 1.00 1.00 O ATOM 286 OD2 ASP A 18 -3.790 -21.404 -1.267 1.00 1.00 O ATOM 0 H ASP A 18 -2.222 -17.107 -2.379 1.00 1.00 H new ATOM 0 HA ASP A 18 -4.404 -18.438 -3.688 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -2.250 -19.551 -3.108 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -2.545 -19.270 -1.404 1.00 1.00 H new ATOM 291 N ALA A 19 -4.647 -18.039 -0.402 1.00 1.00 N ATOM 292 CA ALA A 19 -5.598 -17.912 0.718 1.00 1.00 C ATOM 293 C ALA A 19 -5.744 -16.446 1.137 1.00 1.00 C ATOM 294 O ALA A 19 -5.950 -15.569 0.299 1.00 1.00 O ATOM 295 CB ALA A 19 -5.120 -18.752 1.910 1.00 1.00 C ATOM 0 H ALA A 19 -3.667 -18.034 -0.120 1.00 1.00 H new ATOM 0 HA ALA A 19 -6.571 -18.278 0.389 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -5.828 -18.652 2.733 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -5.053 -19.799 1.614 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -4.139 -18.402 2.231 1.00 1.00 H new ATOM 301 N GLY A 20 -5.640 -16.167 2.433 1.00 1.00 N ATOM 302 CA GLY A 20 -5.763 -14.796 2.962 1.00 1.00 C ATOM 303 C GLY A 20 -4.552 -14.424 3.816 1.00 1.00 C ATOM 304 O GLY A 20 -3.537 -13.962 3.298 1.00 1.00 O ATOM 0 H GLY A 20 -5.469 -16.874 3.149 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -5.859 -14.092 2.136 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -6.672 -14.713 3.559 1.00 1.00 H new ATOM 308 N ASN A 21 -4.662 -14.621 5.126 1.00 1.00 N ATOM 309 CA ASN A 21 -3.561 -14.299 6.026 1.00 1.00 C ATOM 310 C ASN A 21 -3.151 -12.837 5.855 1.00 1.00 C ATOM 311 O ASN A 21 -1.970 -12.507 5.965 1.00 1.00 O ATOM 312 CB ASN A 21 -2.368 -15.226 5.734 1.00 1.00 C ATOM 313 CG ASN A 21 -2.668 -16.642 6.212 1.00 1.00 C ATOM 314 OD1 ASN A 21 -2.424 -17.608 5.489 1.00 1.00 O ATOM 315 ND2 ASN A 21 -3.181 -16.825 7.398 1.00 1.00 N ATOM 0 H ASN A 21 -5.492 -14.998 5.584 1.00 1.00 H new ATOM 0 HA ASN A 21 -3.884 -14.449 7.056 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -2.158 -15.233 4.665 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -1.475 -14.848 6.232 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -3.380 -17.770 7.727 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -3.383 -16.023 7.996 1.00 1.00 H new ATOM 322 N TYR A 22 -4.132 -11.982 5.587 1.00 1.00 N ATOM 323 CA TYR A 22 -3.849 -10.568 5.406 1.00 1.00 C ATOM 324 C TYR A 22 -3.290 -9.975 6.693 1.00 1.00 C ATOM 325 O TYR A 22 -2.237 -9.339 6.675 1.00 1.00 O ATOM 326 CB TYR A 22 -5.129 -9.826 5.013 1.00 1.00 C ATOM 327 CG TYR A 22 -5.655 -10.376 3.704 1.00 1.00 C ATOM 328 CD1 TYR A 22 -5.113 -9.931 2.492 1.00 1.00 C ATOM 329 CD2 TYR A 22 -6.691 -11.323 3.700 1.00 1.00 C ATOM 330 CE1 TYR A 22 -5.603 -10.432 1.278 1.00 1.00 C ATOM 331 CE2 TYR A 22 -7.181 -11.820 2.486 1.00 1.00 C ATOM 332 CZ TYR A 22 -6.638 -11.376 1.275 1.00 1.00 C ATOM 333 OH TYR A 22 -7.124 -11.865 0.080 1.00 1.00 O ATOM 0 H TYR A 22 -5.114 -12.240 5.492 1.00 1.00 H new ATOM 0 HA TYR A 22 -3.110 -10.458 4.613 1.00 1.00 H new ATOM 0 HB2 TYR A 22 -5.881 -9.938 5.794 1.00 1.00 H new ATOM 0 HB3 TYR A 22 -4.927 -8.759 4.916 1.00 1.00 H new ATOM 0 HD1 TYR A 22 -4.317 -9.201 2.493 1.00 1.00 H new ATOM 0 HD2 TYR A 22 -7.110 -11.668 4.633 1.00 1.00 H new ATOM 0 HE1 TYR A 22 -5.182 -10.090 0.344 1.00 1.00 H new ATOM 0 HE2 TYR A 22 -7.979 -12.547 2.484 1.00 1.00 H new ATOM 0 HH TYR A 22 -7.839 -12.512 0.258 1.00 1.00 H new ATOM 343 N THR A 23 -4.003 -10.190 7.794 1.00 1.00 N ATOM 344 CA THR A 23 -3.560 -9.681 9.082 1.00 1.00 C ATOM 345 C THR A 23 -2.254 -10.350 9.502 1.00 1.00 C ATOM 346 O THR A 23 -1.338 -9.694 10.001 1.00 1.00 O ATOM 347 CB THR A 23 -4.635 -9.921 10.145 1.00 1.00 C ATOM 348 OG1 THR A 23 -5.891 -9.482 9.646 1.00 1.00 O ATOM 349 CG2 THR A 23 -4.285 -9.140 11.415 1.00 1.00 C ATOM 0 H THR A 23 -4.881 -10.708 7.819 1.00 1.00 H new ATOM 0 HA THR A 23 -3.388 -8.609 8.987 1.00 1.00 H new ATOM 0 HB THR A 23 -4.686 -10.984 10.381 1.00 1.00 H new ATOM 0 HG1 THR A 23 -6.583 -9.635 10.322 1.00 1.00 H new ATOM 0 HG21 THR A 23 -5.051 -9.312 12.171 1.00 1.00 H new ATOM 0 HG22 THR A 23 -3.320 -9.476 11.794 1.00 1.00 H new ATOM 0 HG23 THR A 23 -4.234 -8.076 11.185 1.00 1.00 H new ATOM 357 N GLU A 24 -2.159 -11.660 9.307 1.00 1.00 N ATOM 358 CA GLU A 24 -0.948 -12.389 9.684 1.00 1.00 C ATOM 359 C GLU A 24 0.261 -11.893 8.888 1.00 1.00 C ATOM 360 O GLU A 24 1.340 -11.703 9.449 1.00 1.00 O ATOM 361 CB GLU A 24 -1.137 -13.886 9.437 1.00 1.00 C ATOM 362 CG GLU A 24 -2.259 -14.429 10.325 1.00 1.00 C ATOM 363 CD GLU A 24 -1.848 -14.376 11.791 1.00 1.00 C ATOM 364 OE1 GLU A 24 -0.658 -14.285 12.051 1.00 1.00 O ATOM 365 OE2 GLU A 24 -2.727 -14.429 12.635 1.00 1.00 O ATOM 0 H GLU A 24 -2.894 -12.235 8.896 1.00 1.00 H new ATOM 0 HA GLU A 24 -0.766 -12.212 10.744 1.00 1.00 H new ATOM 0 HB2 GLU A 24 -1.376 -14.062 8.388 1.00 1.00 H new ATOM 0 HB3 GLU A 24 -0.208 -14.417 9.646 1.00 1.00 H new ATOM 0 HG2 GLU A 24 -3.166 -13.844 10.174 1.00 1.00 H new ATOM 0 HG3 GLU A 24 -2.491 -15.456 10.042 1.00 1.00 H new ATOM 372 N SER A 25 0.071 -11.691 7.588 1.00 1.00 N ATOM 373 CA SER A 25 1.162 -11.224 6.735 1.00 1.00 C ATOM 374 C SER A 25 1.790 -9.950 7.306 1.00 1.00 C ATOM 375 O SER A 25 2.965 -9.664 7.076 1.00 1.00 O ATOM 376 CB SER A 25 0.653 -10.943 5.320 1.00 1.00 C ATOM 377 OG SER A 25 -0.446 -10.055 5.375 1.00 1.00 O ATOM 0 H SER A 25 -0.815 -11.840 7.106 1.00 1.00 H new ATOM 0 HA SER A 25 1.917 -12.010 6.699 1.00 1.00 H new ATOM 0 HB2 SER A 25 1.451 -10.512 4.715 1.00 1.00 H new ATOM 0 HB3 SER A 25 0.356 -11.875 4.839 1.00 1.00 H new ATOM 0 HG SER A 25 -0.752 -9.971 6.302 1.00 1.00 H new ATOM 383 N ILE A 26 1.011 -9.177 8.058 1.00 1.00 N ATOM 384 CA ILE A 26 1.512 -7.938 8.653 1.00 1.00 C ATOM 385 C ILE A 26 2.754 -8.232 9.483 1.00 1.00 C ATOM 386 O ILE A 26 3.682 -7.425 9.536 1.00 1.00 O ATOM 387 CB ILE A 26 0.441 -7.291 9.549 1.00 1.00 C ATOM 388 CG1 ILE A 26 -0.754 -6.871 8.681 1.00 1.00 C ATOM 389 CG2 ILE A 26 1.024 -6.062 10.266 1.00 1.00 C ATOM 390 CD1 ILE A 26 -1.920 -6.413 9.564 1.00 1.00 C ATOM 0 H ILE A 26 0.035 -9.384 8.270 1.00 1.00 H new ATOM 0 HA ILE A 26 1.761 -7.246 7.848 1.00 1.00 H new ATOM 0 HB ILE A 26 0.114 -8.010 10.300 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -0.459 -6.064 8.010 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -1.069 -7.706 8.056 1.00 1.00 H new ATOM 0 HG21 ILE A 26 0.258 -5.612 10.897 1.00 1.00 H new ATOM 0 HG22 ILE A 26 1.869 -6.368 10.883 1.00 1.00 H new ATOM 0 HG23 ILE A 26 1.359 -5.334 9.527 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -2.759 -6.118 8.934 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -2.225 -7.231 10.217 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -1.606 -5.563 10.170 1.00 1.00 H new ATOM 402 N ASP A 27 2.765 -9.386 10.144 1.00 1.00 N ATOM 403 CA ASP A 27 3.907 -9.740 10.978 1.00 1.00 C ATOM 404 C ASP A 27 5.150 -9.974 10.124 1.00 1.00 C ATOM 405 O ASP A 27 6.201 -9.381 10.369 1.00 1.00 O ATOM 406 CB ASP A 27 3.574 -10.998 11.782 1.00 1.00 C ATOM 407 CG ASP A 27 4.784 -11.450 12.597 1.00 1.00 C ATOM 408 OD1 ASP A 27 5.194 -10.707 13.473 1.00 1.00 O ATOM 409 OD2 ASP A 27 5.281 -12.532 12.332 1.00 1.00 O ATOM 0 H ASP A 27 2.015 -10.077 10.120 1.00 1.00 H new ATOM 0 HA ASP A 27 4.117 -8.916 11.660 1.00 1.00 H new ATOM 0 HB2 ASP A 27 2.734 -10.799 12.448 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.264 -11.796 11.107 1.00 1.00 H new ATOM 414 N LEU A 28 4.999 -10.844 9.130 1.00 1.00 N ATOM 415 CA LEU A 28 6.130 -11.152 8.262 1.00 1.00 C ATOM 416 C LEU A 28 6.633 -9.884 7.568 1.00 1.00 C ATOM 417 O LEU A 28 7.831 -9.604 7.587 1.00 1.00 O ATOM 418 CB LEU A 28 5.703 -12.196 7.207 1.00 1.00 C ATOM 419 CG LEU A 28 5.733 -13.633 7.779 1.00 1.00 C ATOM 420 CD1 LEU A 28 7.181 -14.130 7.976 1.00 1.00 C ATOM 421 CD2 LEU A 28 4.974 -13.680 9.113 1.00 1.00 C ATOM 0 H LEU A 28 4.133 -11.335 8.909 1.00 1.00 H new ATOM 0 HA LEU A 28 6.939 -11.559 8.868 1.00 1.00 H new ATOM 0 HB2 LEU A 28 4.698 -11.966 6.854 1.00 1.00 H new ATOM 0 HB3 LEU A 28 6.366 -12.134 6.344 1.00 1.00 H new ATOM 0 HG LEU A 28 5.247 -14.293 7.061 1.00 1.00 H new ATOM 0 HD11 LEU A 28 7.166 -15.143 8.379 1.00 1.00 H new ATOM 0 HD12 LEU A 28 7.700 -14.128 7.017 1.00 1.00 H new ATOM 0 HD13 LEU A 28 7.701 -13.470 8.671 1.00 1.00 H new ATOM 0 HD21 LEU A 28 4.999 -14.695 9.510 1.00 1.00 H new ATOM 0 HD22 LEU A 28 5.445 -13.000 9.824 1.00 1.00 H new ATOM 0 HD23 LEU A 28 3.939 -13.378 8.953 1.00 1.00 H new ATOM 433 N PHE A 29 5.718 -9.125 6.971 1.00 1.00 N ATOM 434 CA PHE A 29 6.109 -7.902 6.284 1.00 1.00 C ATOM 435 C PHE A 29 6.726 -6.904 7.281 1.00 1.00 C ATOM 436 O PHE A 29 7.762 -6.297 7.010 1.00 1.00 O ATOM 437 CB PHE A 29 4.878 -7.285 5.579 1.00 1.00 C ATOM 438 CG PHE A 29 5.312 -6.503 4.352 1.00 1.00 C ATOM 439 CD1 PHE A 29 5.780 -5.193 4.476 1.00 1.00 C ATOM 440 CD2 PHE A 29 5.251 -7.109 3.090 1.00 1.00 C ATOM 441 CE1 PHE A 29 6.185 -4.486 3.336 1.00 1.00 C ATOM 442 CE2 PHE A 29 5.653 -6.405 1.955 1.00 1.00 C ATOM 443 CZ PHE A 29 6.120 -5.095 2.077 1.00 1.00 C ATOM 0 H PHE A 29 4.719 -9.331 6.949 1.00 1.00 H new ATOM 0 HA PHE A 29 6.862 -8.137 5.531 1.00 1.00 H new ATOM 0 HB2 PHE A 29 4.183 -8.073 5.290 1.00 1.00 H new ATOM 0 HB3 PHE A 29 4.347 -6.629 6.268 1.00 1.00 H new ATOM 0 HD1 PHE A 29 5.830 -4.726 5.448 1.00 1.00 H new ATOM 0 HD2 PHE A 29 4.892 -8.123 2.996 1.00 1.00 H new ATOM 0 HE1 PHE A 29 6.547 -3.473 3.428 1.00 1.00 H new ATOM 0 HE2 PHE A 29 5.603 -6.873 0.983 1.00 1.00 H new ATOM 0 HZ PHE A 29 6.432 -4.550 1.198 1.00 1.00 H new ATOM 453 N GLU A 30 6.070 -6.749 8.426 1.00 1.00 N ATOM 454 CA GLU A 30 6.567 -5.815 9.451 1.00 1.00 C ATOM 455 C GLU A 30 8.072 -6.003 9.669 1.00 1.00 C ATOM 456 O GLU A 30 8.786 -5.027 9.896 1.00 1.00 O ATOM 457 CB GLU A 30 5.815 -6.033 10.778 1.00 1.00 C ATOM 458 CG GLU A 30 6.390 -5.159 11.904 1.00 1.00 C ATOM 459 CD GLU A 30 6.236 -3.691 11.540 1.00 1.00 C ATOM 460 OE1 GLU A 30 5.353 -3.388 10.754 1.00 1.00 O ATOM 461 OE2 GLU A 30 7.003 -2.890 12.045 1.00 1.00 O ATOM 0 H GLU A 30 5.212 -7.242 8.672 1.00 1.00 H new ATOM 0 HA GLU A 30 6.389 -4.798 9.102 1.00 1.00 H new ATOM 0 HB2 GLU A 30 4.759 -5.802 10.641 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.877 -7.083 11.064 1.00 1.00 H new ATOM 0 HG2 GLU A 30 5.873 -5.368 12.840 1.00 1.00 H new ATOM 0 HG3 GLU A 30 7.442 -5.397 12.061 1.00 1.00 H new ATOM 468 N LYS A 31 8.536 -7.247 9.593 1.00 1.00 N ATOM 469 CA LYS A 31 9.954 -7.532 9.785 1.00 1.00 C ATOM 470 C LYS A 31 10.780 -6.923 8.652 1.00 1.00 C ATOM 471 O LYS A 31 11.900 -6.459 8.867 1.00 1.00 O ATOM 472 CB LYS A 31 10.179 -9.046 9.854 1.00 1.00 C ATOM 473 CG LYS A 31 9.519 -9.605 11.116 1.00 1.00 C ATOM 474 CD LYS A 31 9.702 -11.122 11.151 1.00 1.00 C ATOM 475 CE LYS A 31 9.145 -11.681 12.461 1.00 1.00 C ATOM 476 NZ LYS A 31 7.671 -11.450 12.530 1.00 1.00 N ATOM 0 H LYS A 31 7.958 -8.065 9.402 1.00 1.00 H new ATOM 0 HA LYS A 31 10.277 -7.084 10.725 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.761 -9.527 8.969 1.00 1.00 H new ATOM 0 HB3 LYS A 31 11.247 -9.265 9.862 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.963 -9.153 12.003 1.00 1.00 H new ATOM 0 HG3 LYS A 31 8.458 -9.355 11.127 1.00 1.00 H new ATOM 0 HD2 LYS A 31 9.191 -11.579 10.304 1.00 1.00 H new ATOM 0 HD3 LYS A 31 10.759 -11.372 11.058 1.00 1.00 H new ATOM 0 HE2 LYS A 31 9.358 -12.748 12.530 1.00 1.00 H new ATOM 0 HE3 LYS A 31 9.636 -11.202 13.308 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 7.455 -10.824 13.332 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 7.348 -11.006 11.647 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 7.183 -12.359 12.659 1.00 1.00 H new ATOM 490 N ALA A 32 10.215 -6.937 7.450 1.00 1.00 N ATOM 491 CA ALA A 32 10.909 -6.388 6.290 1.00 1.00 C ATOM 492 C ALA A 32 11.080 -4.872 6.422 1.00 1.00 C ATOM 493 O ALA A 32 12.183 -4.349 6.262 1.00 1.00 O ATOM 494 CB ALA A 32 10.118 -6.716 5.022 1.00 1.00 C ATOM 0 H ALA A 32 9.289 -7.318 7.254 1.00 1.00 H new ATOM 0 HA ALA A 32 11.900 -6.837 6.231 1.00 1.00 H new ATOM 0 HB1 ALA A 32 10.635 -6.306 4.154 1.00 1.00 H new ATOM 0 HB2 ALA A 32 10.032 -7.797 4.916 1.00 1.00 H new ATOM 0 HB3 ALA A 32 9.122 -6.278 5.091 1.00 1.00 H new ATOM 500 N ILE A 33 9.977 -4.190 6.712 1.00 1.00 N ATOM 501 CA ILE A 33 10.003 -2.735 6.869 1.00 1.00 C ATOM 502 C ILE A 33 10.933 -2.353 8.026 1.00 1.00 C ATOM 503 O ILE A 33 11.673 -1.371 7.952 1.00 1.00 O ATOM 504 CB ILE A 33 8.580 -2.205 7.124 1.00 1.00 C ATOM 505 CG1 ILE A 33 7.730 -2.421 5.861 1.00 1.00 C ATOM 506 CG2 ILE A 33 8.622 -0.700 7.446 1.00 1.00 C ATOM 507 CD1 ILE A 33 6.258 -2.147 6.174 1.00 1.00 C ATOM 0 H ILE A 33 9.059 -4.615 6.843 1.00 1.00 H new ATOM 0 HA ILE A 33 10.381 -2.283 5.952 1.00 1.00 H new ATOM 0 HB ILE A 33 8.147 -2.740 7.969 1.00 1.00 H new ATOM 0 HG12 ILE A 33 8.071 -1.760 5.064 1.00 1.00 H new ATOM 0 HG13 ILE A 33 7.851 -3.443 5.501 1.00 1.00 H new ATOM 0 HG21 ILE A 33 7.610 -0.338 7.624 1.00 1.00 H new ATOM 0 HG22 ILE A 33 9.228 -0.535 8.337 1.00 1.00 H new ATOM 0 HG23 ILE A 33 9.058 -0.160 6.605 1.00 1.00 H new ATOM 0 HD11 ILE A 33 5.660 -2.301 5.276 1.00 1.00 H new ATOM 0 HD12 ILE A 33 5.920 -2.826 6.956 1.00 1.00 H new ATOM 0 HD13 ILE A 33 6.144 -1.117 6.513 1.00 1.00 H new ATOM 519 N GLN A 34 10.890 -3.125 9.107 1.00 1.00 N ATOM 520 CA GLN A 34 11.729 -2.845 10.272 1.00 1.00 C ATOM 521 C GLN A 34 13.205 -3.014 9.923 1.00 1.00 C ATOM 522 O GLN A 34 14.050 -2.256 10.401 1.00 1.00 O ATOM 523 CB GLN A 34 11.345 -3.786 11.428 1.00 1.00 C ATOM 524 CG GLN A 34 10.020 -3.338 12.060 1.00 1.00 C ATOM 525 CD GLN A 34 10.219 -2.037 12.835 1.00 1.00 C ATOM 526 OE1 GLN A 34 11.098 -1.952 13.692 1.00 1.00 O ATOM 527 NE2 GLN A 34 9.450 -1.014 12.581 1.00 1.00 N ATOM 0 H GLN A 34 10.289 -3.944 9.203 1.00 1.00 H new ATOM 0 HA GLN A 34 11.566 -1.813 10.582 1.00 1.00 H new ATOM 0 HB2 GLN A 34 11.253 -4.808 11.059 1.00 1.00 H new ATOM 0 HB3 GLN A 34 12.133 -3.789 12.181 1.00 1.00 H new ATOM 0 HG2 GLN A 34 9.268 -3.196 11.284 1.00 1.00 H new ATOM 0 HG3 GLN A 34 9.646 -4.114 12.728 1.00 1.00 H new ATOM 0 HE21 GLN A 34 8.722 -1.087 11.870 1.00 1.00 H new ATOM 0 HE22 GLN A 34 9.577 -0.141 13.093 1.00 1.00 H new ATOM 536 N LEU A 35 13.492 -4.012 9.095 1.00 1.00 N ATOM 537 CA LEU A 35 14.868 -4.270 8.683 1.00 1.00 C ATOM 538 C LEU A 35 15.348 -3.199 7.710 1.00 1.00 C ATOM 539 O LEU A 35 16.499 -2.769 7.763 1.00 1.00 O ATOM 540 CB LEU A 35 14.965 -5.664 8.042 1.00 1.00 C ATOM 541 CG LEU A 35 14.832 -6.768 9.123 1.00 1.00 C ATOM 542 CD1 LEU A 35 14.463 -8.095 8.457 1.00 1.00 C ATOM 543 CD2 LEU A 35 16.163 -6.960 9.881 1.00 1.00 C ATOM 0 H LEU A 35 12.800 -4.649 8.700 1.00 1.00 H new ATOM 0 HA LEU A 35 15.511 -4.239 9.563 1.00 1.00 H new ATOM 0 HB2 LEU A 35 14.181 -5.782 7.294 1.00 1.00 H new ATOM 0 HB3 LEU A 35 15.918 -5.767 7.524 1.00 1.00 H new ATOM 0 HG LEU A 35 14.057 -6.461 9.826 1.00 1.00 H new ATOM 0 HD11 LEU A 35 14.370 -8.870 9.218 1.00 1.00 H new ATOM 0 HD12 LEU A 35 13.514 -7.987 7.931 1.00 1.00 H new ATOM 0 HD13 LEU A 35 15.242 -8.375 7.747 1.00 1.00 H new ATOM 0 HD21 LEU A 35 16.044 -7.739 10.634 1.00 1.00 H new ATOM 0 HD22 LEU A 35 16.943 -7.251 9.178 1.00 1.00 H new ATOM 0 HD23 LEU A 35 16.443 -6.026 10.368 1.00 1.00 H new ATOM 555 N ASP A 36 14.456 -2.773 6.822 1.00 1.00 N ATOM 556 CA ASP A 36 14.795 -1.751 5.832 1.00 1.00 C ATOM 557 C ASP A 36 13.549 -0.958 5.409 1.00 1.00 C ATOM 558 O ASP A 36 12.889 -1.337 4.443 1.00 1.00 O ATOM 559 CB ASP A 36 15.402 -2.429 4.605 1.00 1.00 C ATOM 560 CG ASP A 36 15.937 -1.381 3.639 1.00 1.00 C ATOM 561 OD1 ASP A 36 15.556 -0.228 3.773 1.00 1.00 O ATOM 562 OD2 ASP A 36 16.719 -1.744 2.776 1.00 1.00 O ATOM 0 H ASP A 36 13.497 -3.116 6.765 1.00 1.00 H new ATOM 0 HA ASP A 36 15.509 -1.058 6.277 1.00 1.00 H new ATOM 0 HB2 ASP A 36 16.207 -3.098 4.910 1.00 1.00 H new ATOM 0 HB3 ASP A 36 14.649 -3.042 4.109 1.00 1.00 H new ATOM 567 N PRO A 37 13.237 0.106 6.096 1.00 1.00 N ATOM 568 CA PRO A 37 12.049 0.934 5.748 1.00 1.00 C ATOM 569 C PRO A 37 12.366 1.967 4.663 1.00 1.00 C ATOM 570 O PRO A 37 11.468 2.621 4.132 1.00 1.00 O ATOM 571 CB PRO A 37 11.688 1.590 7.087 1.00 1.00 C ATOM 572 CG PRO A 37 13.007 1.784 7.782 1.00 1.00 C ATOM 573 CD PRO A 37 13.944 0.661 7.273 1.00 1.00 C ATOM 0 HA PRO A 37 11.230 0.353 5.324 1.00 1.00 H new ATOM 0 HB2 PRO A 37 11.175 2.540 6.937 1.00 1.00 H new ATOM 0 HB3 PRO A 37 11.021 0.956 7.672 1.00 1.00 H new ATOM 0 HG2 PRO A 37 13.422 2.767 7.558 1.00 1.00 H new ATOM 0 HG3 PRO A 37 12.887 1.728 8.864 1.00 1.00 H new ATOM 0 HD2 PRO A 37 14.924 1.053 7.001 1.00 1.00 H new ATOM 0 HD3 PRO A 37 14.105 -0.100 8.036 1.00 1.00 H new ATOM 581 N GLU A 38 13.642 2.115 4.325 1.00 1.00 N ATOM 582 CA GLU A 38 14.079 3.068 3.305 1.00 1.00 C ATOM 583 C GLU A 38 13.661 2.601 1.913 1.00 1.00 C ATOM 584 O GLU A 38 13.799 3.332 0.932 1.00 1.00 O ATOM 585 CB GLU A 38 15.609 3.222 3.373 1.00 1.00 C ATOM 586 CG GLU A 38 16.080 4.345 2.439 1.00 1.00 C ATOM 587 CD GLU A 38 17.554 4.649 2.680 1.00 1.00 C ATOM 588 OE1 GLU A 38 18.080 4.190 3.680 1.00 1.00 O ATOM 589 OE2 GLU A 38 18.135 5.344 1.860 1.00 1.00 O ATOM 0 H GLU A 38 14.402 1.581 4.747 1.00 1.00 H new ATOM 0 HA GLU A 38 13.606 4.031 3.496 1.00 1.00 H new ATOM 0 HB2 GLU A 38 15.913 3.441 4.397 1.00 1.00 H new ATOM 0 HB3 GLU A 38 16.087 2.284 3.093 1.00 1.00 H new ATOM 0 HG2 GLU A 38 15.927 4.052 1.400 1.00 1.00 H new ATOM 0 HG3 GLU A 38 15.484 5.242 2.608 1.00 1.00 H new ATOM 596 N GLU A 39 13.138 1.383 1.817 1.00 1.00 N ATOM 597 CA GLU A 39 12.698 0.819 0.542 1.00 1.00 C ATOM 598 C GLU A 39 11.265 1.236 0.245 1.00 1.00 C ATOM 599 O GLU A 39 10.328 0.815 0.925 1.00 1.00 O ATOM 600 CB GLU A 39 12.793 -0.710 0.617 1.00 1.00 C ATOM 601 CG GLU A 39 14.268 -1.133 0.660 1.00 1.00 C ATOM 602 CD GLU A 39 14.386 -2.615 0.999 1.00 1.00 C ATOM 603 OE1 GLU A 39 13.367 -3.221 1.283 1.00 1.00 O ATOM 604 OE2 GLU A 39 15.495 -3.122 0.969 1.00 1.00 O ATOM 0 H GLU A 39 13.007 0.761 2.615 1.00 1.00 H new ATOM 0 HA GLU A 39 13.337 1.191 -0.259 1.00 1.00 H new ATOM 0 HB2 GLU A 39 12.274 -1.074 1.504 1.00 1.00 H new ATOM 0 HB3 GLU A 39 12.301 -1.158 -0.246 1.00 1.00 H new ATOM 0 HG2 GLU A 39 14.738 -0.935 -0.303 1.00 1.00 H new ATOM 0 HG3 GLU A 39 14.802 -0.540 1.403 1.00 1.00 H new ATOM 611 N SER A 40 11.084 2.065 -0.777 1.00 1.00 N ATOM 612 CA SER A 40 9.759 2.528 -1.156 1.00 1.00 C ATOM 613 C SER A 40 8.896 1.369 -1.640 1.00 1.00 C ATOM 614 O SER A 40 7.734 1.240 -1.254 1.00 1.00 O ATOM 615 CB SER A 40 9.871 3.579 -2.259 1.00 1.00 C ATOM 616 OG SER A 40 8.597 3.765 -2.858 1.00 1.00 O ATOM 0 H SER A 40 11.840 2.429 -1.357 1.00 1.00 H new ATOM 0 HA SER A 40 9.287 2.969 -0.278 1.00 1.00 H new ATOM 0 HB2 SER A 40 10.233 4.520 -1.845 1.00 1.00 H new ATOM 0 HB3 SER A 40 10.596 3.261 -3.009 1.00 1.00 H new ATOM 0 HG SER A 40 8.664 4.440 -3.566 1.00 1.00 H new ATOM 622 N LYS A 41 9.464 0.523 -2.493 1.00 1.00 N ATOM 623 CA LYS A 41 8.743 -0.624 -3.033 1.00 1.00 C ATOM 624 C LYS A 41 8.115 -1.437 -1.904 1.00 1.00 C ATOM 625 O LYS A 41 7.050 -2.034 -2.062 1.00 1.00 O ATOM 626 CB LYS A 41 9.690 -1.526 -3.839 1.00 1.00 C ATOM 627 CG LYS A 41 10.179 -0.796 -5.096 1.00 1.00 C ATOM 628 CD LYS A 41 10.897 -1.779 -6.036 1.00 1.00 C ATOM 629 CE LYS A 41 12.114 -2.410 -5.341 1.00 1.00 C ATOM 630 NZ LYS A 41 12.855 -1.369 -4.577 1.00 1.00 N ATOM 0 H LYS A 41 10.424 0.611 -2.826 1.00 1.00 H new ATOM 0 HA LYS A 41 7.958 -0.250 -3.690 1.00 1.00 H new ATOM 0 HB2 LYS A 41 10.542 -1.813 -3.223 1.00 1.00 H new ATOM 0 HB3 LYS A 41 9.176 -2.445 -4.121 1.00 1.00 H new ATOM 0 HG2 LYS A 41 9.334 -0.339 -5.612 1.00 1.00 H new ATOM 0 HG3 LYS A 41 10.856 0.011 -4.816 1.00 1.00 H new ATOM 0 HD2 LYS A 41 10.205 -2.561 -6.349 1.00 1.00 H new ATOM 0 HD3 LYS A 41 11.218 -1.258 -6.938 1.00 1.00 H new ATOM 0 HE2 LYS A 41 11.789 -3.205 -4.669 1.00 1.00 H new ATOM 0 HE3 LYS A 41 12.771 -2.867 -6.081 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 13.848 -1.658 -4.470 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 12.811 -0.465 -5.089 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 12.424 -1.256 -3.637 1.00 1.00 H new ATOM 644 N TYR A 42 8.767 -1.475 -0.746 1.00 1.00 N ATOM 645 CA TYR A 42 8.274 -2.228 0.400 1.00 1.00 C ATOM 646 C TYR A 42 7.041 -1.547 0.992 1.00 1.00 C ATOM 647 O TYR A 42 6.106 -2.207 1.442 1.00 1.00 O ATOM 648 CB TYR A 42 9.385 -2.350 1.466 1.00 1.00 C ATOM 649 CG TYR A 42 10.395 -3.430 1.073 1.00 1.00 C ATOM 650 CD1 TYR A 42 10.857 -3.544 -0.253 1.00 1.00 C ATOM 651 CD2 TYR A 42 10.866 -4.326 2.042 1.00 1.00 C ATOM 652 CE1 TYR A 42 11.773 -4.543 -0.595 1.00 1.00 C ATOM 653 CE2 TYR A 42 11.781 -5.323 1.690 1.00 1.00 C ATOM 654 CZ TYR A 42 12.231 -5.431 0.376 1.00 1.00 C ATOM 655 OH TYR A 42 13.134 -6.413 0.038 1.00 1.00 O ATOM 0 H TYR A 42 9.647 -0.987 -0.577 1.00 1.00 H new ATOM 0 HA TYR A 42 7.990 -3.228 0.071 1.00 1.00 H new ATOM 0 HB2 TYR A 42 9.894 -1.393 1.579 1.00 1.00 H new ATOM 0 HB3 TYR A 42 8.943 -2.592 2.433 1.00 1.00 H new ATOM 0 HD1 TYR A 42 10.502 -2.857 -1.008 1.00 1.00 H new ATOM 0 HD2 TYR A 42 10.522 -4.246 3.063 1.00 1.00 H new ATOM 0 HE1 TYR A 42 12.126 -4.627 -1.612 1.00 1.00 H new ATOM 0 HE2 TYR A 42 12.140 -6.012 2.440 1.00 1.00 H new ATOM 0 HH TYR A 42 12.727 -7.021 -0.614 1.00 1.00 H new ATOM 665 N TRP A 43 7.049 -0.218 0.982 1.00 1.00 N ATOM 666 CA TRP A 43 5.927 0.545 1.513 1.00 1.00 C ATOM 667 C TRP A 43 4.724 0.443 0.574 1.00 1.00 C ATOM 668 O TRP A 43 3.578 0.464 1.021 1.00 1.00 O ATOM 669 CB TRP A 43 6.340 2.017 1.704 1.00 1.00 C ATOM 670 CG TRP A 43 7.065 2.199 3.006 1.00 1.00 C ATOM 671 CD1 TRP A 43 8.357 2.582 3.147 1.00 1.00 C ATOM 672 CD2 TRP A 43 6.543 2.015 4.351 1.00 1.00 C ATOM 673 NE1 TRP A 43 8.650 2.656 4.498 1.00 1.00 N ATOM 674 CE2 TRP A 43 7.567 2.308 5.277 1.00 1.00 C ATOM 675 CE3 TRP A 43 5.288 1.625 4.847 1.00 1.00 C ATOM 676 CZ2 TRP A 43 7.354 2.219 6.654 1.00 1.00 C ATOM 677 CZ3 TRP A 43 5.070 1.534 6.230 1.00 1.00 C ATOM 678 CH2 TRP A 43 6.101 1.829 7.131 1.00 1.00 C ATOM 0 H TRP A 43 7.814 0.349 0.615 1.00 1.00 H new ATOM 0 HA TRP A 43 5.642 0.132 2.481 1.00 1.00 H new ATOM 0 HB2 TRP A 43 6.979 2.331 0.879 1.00 1.00 H new ATOM 0 HB3 TRP A 43 5.456 2.654 1.682 1.00 1.00 H new ATOM 0 HD1 TRP A 43 9.043 2.794 2.341 1.00 1.00 H new ATOM 0 HE1 TRP A 43 9.557 2.934 4.872 1.00 1.00 H new ATOM 0 HE3 TRP A 43 4.487 1.394 4.160 1.00 1.00 H new ATOM 0 HZ2 TRP A 43 8.152 2.450 7.344 1.00 1.00 H new ATOM 0 HZ3 TRP A 43 4.101 1.235 6.602 1.00 1.00 H new ATOM 0 HH2 TRP A 43 5.927 1.755 8.194 1.00 1.00 H new ATOM 689 N LEU A 44 5.006 0.340 -0.721 1.00 1.00 N ATOM 690 CA LEU A 44 3.929 0.246 -1.702 1.00 1.00 C ATOM 691 C LEU A 44 2.961 -0.878 -1.332 1.00 1.00 C ATOM 692 O LEU A 44 1.746 -0.699 -1.412 1.00 1.00 O ATOM 693 CB LEU A 44 4.531 -0.011 -3.098 1.00 1.00 C ATOM 694 CG LEU A 44 3.429 -0.325 -4.128 1.00 1.00 C ATOM 695 CD1 LEU A 44 2.380 0.800 -4.149 1.00 1.00 C ATOM 696 CD2 LEU A 44 4.071 -0.470 -5.512 1.00 1.00 C ATOM 0 H LEU A 44 5.949 0.320 -1.110 1.00 1.00 H new ATOM 0 HA LEU A 44 3.374 1.184 -1.712 1.00 1.00 H new ATOM 0 HB2 LEU A 44 5.096 0.864 -3.420 1.00 1.00 H new ATOM 0 HB3 LEU A 44 5.233 -0.843 -3.047 1.00 1.00 H new ATOM 0 HG LEU A 44 2.929 -1.254 -3.854 1.00 1.00 H new ATOM 0 HD11 LEU A 44 1.608 0.564 -4.881 1.00 1.00 H new ATOM 0 HD12 LEU A 44 1.927 0.894 -3.162 1.00 1.00 H new ATOM 0 HD13 LEU A 44 2.860 1.741 -4.419 1.00 1.00 H new ATOM 0 HD21 LEU A 44 3.300 -0.693 -6.249 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.572 0.460 -5.780 1.00 1.00 H new ATOM 0 HD23 LEU A 44 4.799 -1.281 -5.492 1.00 1.00 H new ATOM 708 N MET A 45 3.510 -2.019 -0.927 1.00 1.00 N ATOM 709 CA MET A 45 2.660 -3.144 -0.567 1.00 1.00 C ATOM 710 C MET A 45 1.754 -2.775 0.608 1.00 1.00 C ATOM 711 O MET A 45 0.566 -3.099 0.594 1.00 1.00 O ATOM 712 CB MET A 45 3.540 -4.343 -0.196 1.00 1.00 C ATOM 713 CG MET A 45 2.682 -5.594 0.032 1.00 1.00 C ATOM 714 SD MET A 45 1.964 -6.122 -1.543 1.00 1.00 S ATOM 715 CE MET A 45 1.531 -7.807 -1.048 1.00 1.00 C ATOM 0 H MET A 45 4.513 -2.186 -0.842 1.00 1.00 H new ATOM 0 HA MET A 45 2.030 -3.403 -1.418 1.00 1.00 H new ATOM 0 HB2 MET A 45 4.262 -4.531 -0.991 1.00 1.00 H new ATOM 0 HB3 MET A 45 4.110 -4.117 0.705 1.00 1.00 H new ATOM 0 HG2 MET A 45 3.290 -6.394 0.454 1.00 1.00 H new ATOM 0 HG3 MET A 45 1.892 -5.381 0.752 1.00 1.00 H new ATOM 0 HE1 MET A 45 0.881 -8.252 -1.802 1.00 1.00 H new ATOM 0 HE2 MET A 45 2.439 -8.403 -0.954 1.00 1.00 H new ATOM 0 HE3 MET A 45 1.012 -7.783 -0.090 1.00 1.00 H new ATOM 725 N LYS A 46 2.349 -2.109 1.590 1.00 1.00 N ATOM 726 CA LYS A 46 1.583 -1.718 2.776 1.00 1.00 C ATOM 727 C LYS A 46 0.296 -0.997 2.370 1.00 1.00 C ATOM 728 O LYS A 46 -0.784 -1.321 2.865 1.00 1.00 O ATOM 729 CB LYS A 46 2.420 -0.791 3.671 1.00 1.00 C ATOM 730 CG LYS A 46 1.712 -0.527 5.019 1.00 1.00 C ATOM 731 CD LYS A 46 1.737 -1.788 5.912 1.00 1.00 C ATOM 732 CE LYS A 46 1.456 -1.403 7.367 1.00 1.00 C ATOM 733 NZ LYS A 46 2.592 -0.593 7.890 1.00 1.00 N ATOM 0 H LYS A 46 3.331 -1.833 1.596 1.00 1.00 H new ATOM 0 HA LYS A 46 1.329 -2.623 3.328 1.00 1.00 H new ATOM 0 HB2 LYS A 46 3.396 -1.240 3.852 1.00 1.00 H new ATOM 0 HB3 LYS A 46 2.594 0.155 3.157 1.00 1.00 H new ATOM 0 HG2 LYS A 46 2.201 0.299 5.535 1.00 1.00 H new ATOM 0 HG3 LYS A 46 0.680 -0.224 4.839 1.00 1.00 H new ATOM 0 HD2 LYS A 46 0.992 -2.504 5.566 1.00 1.00 H new ATOM 0 HD3 LYS A 46 2.708 -2.278 5.837 1.00 1.00 H new ATOM 0 HE2 LYS A 46 0.528 -0.834 7.432 1.00 1.00 H new ATOM 0 HE3 LYS A 46 1.324 -2.299 7.973 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 2.666 -0.723 8.919 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 3.476 -0.902 7.437 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 2.428 0.412 7.679 1.00 1.00 H new ATOM 747 N GLY A 47 0.414 -0.026 1.471 1.00 1.00 N ATOM 748 CA GLY A 47 -0.755 0.725 1.023 1.00 1.00 C ATOM 749 C GLY A 47 -1.854 -0.217 0.529 1.00 1.00 C ATOM 750 O GLY A 47 -3.004 -0.097 0.946 1.00 1.00 O ATOM 0 H GLY A 47 1.295 0.258 1.042 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -1.135 1.336 1.842 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -0.469 1.407 0.223 1.00 1.00 H new ATOM 754 N LYS A 48 -1.487 -1.146 -0.347 1.00 1.00 N ATOM 755 CA LYS A 48 -2.458 -2.098 -0.887 1.00 1.00 C ATOM 756 C LYS A 48 -3.114 -2.891 0.251 1.00 1.00 C ATOM 757 O LYS A 48 -4.317 -3.148 0.225 1.00 1.00 O ATOM 758 CB LYS A 48 -1.762 -3.068 -1.848 1.00 1.00 C ATOM 759 CG LYS A 48 -1.232 -2.303 -3.068 1.00 1.00 C ATOM 760 CD LYS A 48 -0.458 -3.264 -3.975 1.00 1.00 C ATOM 761 CE LYS A 48 0.204 -2.481 -5.116 1.00 1.00 C ATOM 762 NZ LYS A 48 -0.836 -1.957 -6.046 1.00 1.00 N ATOM 0 H LYS A 48 -0.536 -1.262 -0.697 1.00 1.00 H new ATOM 0 HA LYS A 48 -3.226 -1.543 -1.425 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -0.941 -3.572 -1.339 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -2.461 -3.841 -2.168 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -2.060 -1.854 -3.617 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -0.584 -1.488 -2.746 1.00 1.00 H new ATOM 0 HD2 LYS A 48 0.300 -3.793 -3.397 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -1.132 -4.017 -4.382 1.00 1.00 H new ATOM 0 HE2 LYS A 48 0.789 -1.656 -4.710 1.00 1.00 H new ATOM 0 HE3 LYS A 48 0.896 -3.126 -5.657 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -0.378 -1.562 -6.892 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -1.472 -2.730 -6.326 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -1.384 -1.213 -5.570 1.00 1.00 H new ATOM 776 N ALA A 49 -2.319 -3.270 1.246 1.00 1.00 N ATOM 777 CA ALA A 49 -2.850 -4.030 2.381 1.00 1.00 C ATOM 778 C ALA A 49 -3.881 -3.211 3.155 1.00 1.00 C ATOM 779 O ALA A 49 -4.994 -3.674 3.408 1.00 1.00 O ATOM 780 CB ALA A 49 -1.708 -4.420 3.323 1.00 1.00 C ATOM 0 H ALA A 49 -1.320 -3.069 1.294 1.00 1.00 H new ATOM 0 HA ALA A 49 -3.335 -4.925 1.992 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -2.108 -4.985 4.165 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -0.986 -5.034 2.785 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -1.216 -3.520 3.691 1.00 1.00 H new ATOM 786 N LEU A 50 -3.485 -1.995 3.516 1.00 1.00 N ATOM 787 CA LEU A 50 -4.373 -1.112 4.267 1.00 1.00 C ATOM 788 C LEU A 50 -5.642 -0.827 3.464 1.00 1.00 C ATOM 789 O LEU A 50 -6.741 -0.806 4.015 1.00 1.00 O ATOM 790 CB LEU A 50 -3.644 0.201 4.568 1.00 1.00 C ATOM 791 CG LEU A 50 -2.490 -0.034 5.564 1.00 1.00 C ATOM 792 CD1 LEU A 50 -1.588 1.209 5.584 1.00 1.00 C ATOM 793 CD2 LEU A 50 -3.031 -0.294 6.990 1.00 1.00 C ATOM 0 H LEU A 50 -2.568 -1.601 3.305 1.00 1.00 H new ATOM 0 HA LEU A 50 -4.654 -1.598 5.201 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -3.253 0.626 3.644 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -4.345 0.926 4.980 1.00 1.00 H new ATOM 0 HG LEU A 50 -1.926 -0.910 5.245 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -0.769 1.053 6.286 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -1.184 1.381 4.587 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -2.171 2.076 5.894 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.196 -0.456 7.672 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -3.609 0.568 7.323 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -3.670 -1.177 6.981 1.00 1.00 H new ATOM 805 N TYR A 51 -5.476 -0.612 2.162 1.00 1.00 N ATOM 806 CA TYR A 51 -6.622 -0.339 1.301 1.00 1.00 C ATOM 807 C TYR A 51 -7.562 -1.545 1.255 1.00 1.00 C ATOM 808 O TYR A 51 -8.774 -1.418 1.430 1.00 1.00 O ATOM 809 CB TYR A 51 -6.133 0.019 -0.116 1.00 1.00 C ATOM 810 CG TYR A 51 -7.290 -0.036 -1.105 1.00 1.00 C ATOM 811 CD1 TYR A 51 -8.341 0.883 -1.002 1.00 1.00 C ATOM 812 CD2 TYR A 51 -7.320 -1.021 -2.107 1.00 1.00 C ATOM 813 CE1 TYR A 51 -9.414 0.823 -1.900 1.00 1.00 C ATOM 814 CE2 TYR A 51 -8.396 -1.081 -3.000 1.00 1.00 C ATOM 815 CZ TYR A 51 -9.442 -0.159 -2.897 1.00 1.00 C ATOM 816 OH TYR A 51 -10.504 -0.219 -3.777 1.00 1.00 O ATOM 0 H TYR A 51 -4.574 -0.621 1.686 1.00 1.00 H new ATOM 0 HA TYR A 51 -7.177 0.506 1.710 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -5.694 1.017 -0.115 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -5.350 -0.674 -0.423 1.00 1.00 H new ATOM 0 HD1 TYR A 51 -8.324 1.638 -0.230 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -6.512 -1.733 -2.188 1.00 1.00 H new ATOM 0 HE1 TYR A 51 -10.222 1.536 -1.823 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -8.418 -1.839 -3.769 1.00 1.00 H new ATOM 0 HH TYR A 51 -11.153 0.481 -3.555 1.00 1.00 H new ATOM 826 N ASN A 52 -7.001 -2.726 1.016 1.00 1.00 N ATOM 827 CA ASN A 52 -7.804 -3.939 0.939 1.00 1.00 C ATOM 828 C ASN A 52 -8.525 -4.196 2.256 1.00 1.00 C ATOM 829 O ASN A 52 -9.615 -4.767 2.268 1.00 1.00 O ATOM 830 CB ASN A 52 -6.909 -5.131 0.598 1.00 1.00 C ATOM 831 CG ASN A 52 -6.158 -4.859 -0.701 1.00 1.00 C ATOM 832 OD1 ASN A 52 -4.995 -5.240 -0.838 1.00 1.00 O ATOM 833 ND2 ASN A 52 -6.756 -4.216 -1.668 1.00 1.00 N ATOM 0 H ASN A 52 -6.001 -2.868 0.873 1.00 1.00 H new ATOM 0 HA ASN A 52 -8.551 -3.809 0.156 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -6.201 -5.309 1.407 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -7.512 -6.033 0.498 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -6.260 -4.028 -2.539 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -7.719 -3.902 -1.552 1.00 1.00 H new ATOM 840 N LEU A 53 -7.905 -3.772 3.352 1.00 1.00 N ATOM 841 CA LEU A 53 -8.482 -3.954 4.682 1.00 1.00 C ATOM 842 C LEU A 53 -9.577 -2.926 4.943 1.00 1.00 C ATOM 843 O LEU A 53 -10.103 -2.828 6.051 1.00 1.00 O ATOM 844 CB LEU A 53 -7.371 -3.857 5.751 1.00 1.00 C ATOM 845 CG LEU A 53 -6.654 -5.227 5.918 1.00 1.00 C ATOM 846 CD1 LEU A 53 -5.232 -5.011 6.443 1.00 1.00 C ATOM 847 CD2 LEU A 53 -7.422 -6.100 6.924 1.00 1.00 C ATOM 0 H LEU A 53 -7.001 -3.299 3.347 1.00 1.00 H new ATOM 0 HA LEU A 53 -8.936 -4.943 4.736 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -6.648 -3.094 5.464 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -7.801 -3.546 6.703 1.00 1.00 H new ATOM 0 HG LEU A 53 -6.619 -5.722 4.948 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -4.736 -5.975 6.557 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -4.673 -4.397 5.737 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -5.273 -4.507 7.409 1.00 1.00 H new ATOM 0 HD21 LEU A 53 -6.914 -7.058 7.036 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -7.461 -5.595 7.889 1.00 1.00 H new ATOM 0 HD23 LEU A 53 -8.436 -6.267 6.561 1.00 1.00 H new ATOM 859 N GLU A 54 -9.938 -2.164 3.916 1.00 1.00 N ATOM 860 CA GLU A 54 -10.988 -1.142 4.014 1.00 1.00 C ATOM 861 C GLU A 54 -10.495 0.053 4.819 1.00 1.00 C ATOM 862 O GLU A 54 -11.287 0.774 5.426 1.00 1.00 O ATOM 863 CB GLU A 54 -12.257 -1.704 4.680 1.00 1.00 C ATOM 864 CG GLU A 54 -12.709 -2.978 3.960 1.00 1.00 C ATOM 865 CD GLU A 54 -13.901 -3.594 4.686 1.00 1.00 C ATOM 866 OE1 GLU A 54 -14.354 -3.003 5.655 1.00 1.00 O ATOM 867 OE2 GLU A 54 -14.345 -4.649 4.266 1.00 1.00 O ATOM 0 H GLU A 54 -9.515 -2.233 2.991 1.00 1.00 H new ATOM 0 HA GLU A 54 -11.231 -0.828 2.999 1.00 1.00 H new ATOM 0 HB2 GLU A 54 -12.061 -1.921 5.730 1.00 1.00 H new ATOM 0 HB3 GLU A 54 -13.052 -0.959 4.652 1.00 1.00 H new ATOM 0 HG2 GLU A 54 -12.980 -2.746 2.930 1.00 1.00 H new ATOM 0 HG3 GLU A 54 -11.888 -3.694 3.920 1.00 1.00 H new ATOM 874 N ARG A 55 -9.184 0.268 4.831 1.00 1.00 N ATOM 875 CA ARG A 55 -8.570 1.381 5.569 1.00 1.00 C ATOM 876 C ARG A 55 -8.052 2.439 4.594 1.00 1.00 C ATOM 877 O ARG A 55 -6.846 2.639 4.449 1.00 1.00 O ATOM 878 CB ARG A 55 -7.414 0.860 6.442 1.00 1.00 C ATOM 879 CG ARG A 55 -7.800 -0.464 7.114 1.00 1.00 C ATOM 880 CD ARG A 55 -9.004 -0.247 8.031 1.00 1.00 C ATOM 881 NE ARG A 55 -9.218 -1.422 8.863 1.00 1.00 N ATOM 882 CZ ARG A 55 -10.359 -1.598 9.519 1.00 1.00 C ATOM 883 NH1 ARG A 55 -11.311 -0.711 9.416 1.00 1.00 N ATOM 884 NH2 ARG A 55 -10.526 -2.652 10.266 1.00 1.00 N ATOM 0 H ARG A 55 -8.514 -0.318 4.333 1.00 1.00 H new ATOM 0 HA ARG A 55 -9.324 1.834 6.212 1.00 1.00 H new ATOM 0 HB2 ARG A 55 -6.524 0.717 5.829 1.00 1.00 H new ATOM 0 HB3 ARG A 55 -7.163 1.600 7.202 1.00 1.00 H new ATOM 0 HG2 ARG A 55 -8.038 -1.211 6.357 1.00 1.00 H new ATOM 0 HG3 ARG A 55 -6.958 -0.850 7.689 1.00 1.00 H new ATOM 0 HD2 ARG A 55 -8.839 0.628 8.660 1.00 1.00 H new ATOM 0 HD3 ARG A 55 -9.894 -0.047 7.434 1.00 1.00 H new ATOM 0 HE ARG A 55 -8.480 -2.121 8.943 1.00 1.00 H new ATOM 0 HH11 ARG A 55 -11.178 0.115 8.833 1.00 1.00 H new ATOM 0 HH12 ARG A 55 -12.188 -0.844 9.919 1.00 1.00 H new ATOM 0 HH21 ARG A 55 -9.780 -3.343 10.347 1.00 1.00 H new ATOM 0 HH22 ARG A 55 -11.403 -2.786 10.770 1.00 1.00 H new ATOM 898 N TYR A 56 -8.984 3.120 3.934 1.00 1.00 N ATOM 899 CA TYR A 56 -8.622 4.156 2.971 1.00 1.00 C ATOM 900 C TYR A 56 -7.768 5.229 3.652 1.00 1.00 C ATOM 901 O TYR A 56 -6.800 5.732 3.080 1.00 1.00 O ATOM 902 CB TYR A 56 -9.901 4.797 2.402 1.00 1.00 C ATOM 903 CG TYR A 56 -10.940 3.721 2.168 1.00 1.00 C ATOM 904 CD1 TYR A 56 -10.953 3.003 0.966 1.00 1.00 C ATOM 905 CD2 TYR A 56 -11.889 3.440 3.161 1.00 1.00 C ATOM 906 CE1 TYR A 56 -11.916 2.007 0.759 1.00 1.00 C ATOM 907 CE2 TYR A 56 -12.848 2.444 2.952 1.00 1.00 C ATOM 908 CZ TYR A 56 -12.862 1.728 1.751 1.00 1.00 C ATOM 909 OH TYR A 56 -13.808 0.745 1.544 1.00 1.00 O ATOM 0 H TYR A 56 -9.987 2.975 4.046 1.00 1.00 H new ATOM 0 HA TYR A 56 -8.048 3.707 2.161 1.00 1.00 H new ATOM 0 HB2 TYR A 56 -10.286 5.545 3.095 1.00 1.00 H new ATOM 0 HB3 TYR A 56 -9.678 5.313 1.468 1.00 1.00 H new ATOM 0 HD1 TYR A 56 -10.222 3.217 0.200 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -11.879 3.993 4.088 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -11.928 1.453 -0.168 1.00 1.00 H new ATOM 0 HE2 TYR A 56 -13.578 2.228 3.718 1.00 1.00 H new ATOM 0 HH TYR A 56 -14.388 0.678 2.331 1.00 1.00 H new ATOM 919 N GLU A 57 -8.140 5.571 4.881 1.00 1.00 N ATOM 920 CA GLU A 57 -7.406 6.589 5.633 1.00 1.00 C ATOM 921 C GLU A 57 -5.956 6.146 5.877 1.00 1.00 C ATOM 922 O GLU A 57 -5.017 6.896 5.612 1.00 1.00 O ATOM 923 CB GLU A 57 -8.117 6.858 6.986 1.00 1.00 C ATOM 924 CG GLU A 57 -8.799 5.575 7.493 1.00 1.00 C ATOM 925 CD GLU A 57 -9.219 5.726 8.954 1.00 1.00 C ATOM 926 OE1 GLU A 57 -8.528 6.420 9.682 1.00 1.00 O ATOM 927 OE2 GLU A 57 -10.223 5.139 9.324 1.00 1.00 O ATOM 0 H GLU A 57 -8.935 5.166 5.375 1.00 1.00 H new ATOM 0 HA GLU A 57 -7.388 7.508 5.047 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -7.393 7.209 7.722 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -8.858 7.649 6.865 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -9.673 5.355 6.879 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -8.117 4.731 7.391 1.00 1.00 H new ATOM 934 N GLU A 58 -5.800 4.926 6.382 1.00 1.00 N ATOM 935 CA GLU A 58 -4.466 4.407 6.662 1.00 1.00 C ATOM 936 C GLU A 58 -3.684 4.228 5.368 1.00 1.00 C ATOM 937 O GLU A 58 -2.481 4.485 5.317 1.00 1.00 O ATOM 938 CB GLU A 58 -4.561 3.067 7.390 1.00 1.00 C ATOM 939 CG GLU A 58 -5.338 3.239 8.701 1.00 1.00 C ATOM 940 CD GLU A 58 -4.556 4.127 9.663 1.00 1.00 C ATOM 941 OE1 GLU A 58 -3.361 4.273 9.465 1.00 1.00 O ATOM 942 OE2 GLU A 58 -5.162 4.649 10.583 1.00 1.00 O ATOM 0 H GLU A 58 -6.565 4.289 6.602 1.00 1.00 H new ATOM 0 HA GLU A 58 -3.946 5.124 7.297 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -5.059 2.333 6.756 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -3.562 2.684 7.597 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -6.314 3.680 8.499 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -5.517 2.265 9.157 1.00 1.00 H new ATOM 949 N ALA A 59 -4.373 3.781 4.322 1.00 1.00 N ATOM 950 CA ALA A 59 -3.729 3.570 3.033 1.00 1.00 C ATOM 951 C ALA A 59 -3.137 4.872 2.507 1.00 1.00 C ATOM 952 O ALA A 59 -1.979 4.907 2.090 1.00 1.00 O ATOM 953 CB ALA A 59 -4.741 3.007 2.036 1.00 1.00 C ATOM 0 H ALA A 59 -5.369 3.560 4.342 1.00 1.00 H new ATOM 0 HA ALA A 59 -2.917 2.854 3.161 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -4.255 2.851 1.073 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -5.127 2.057 2.406 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -5.564 3.711 1.917 1.00 1.00 H new ATOM 959 N VAL A 60 -3.929 5.939 2.538 1.00 1.00 N ATOM 960 CA VAL A 60 -3.466 7.239 2.070 1.00 1.00 C ATOM 961 C VAL A 60 -2.244 7.675 2.878 1.00 1.00 C ATOM 962 O VAL A 60 -1.275 8.198 2.323 1.00 1.00 O ATOM 963 CB VAL A 60 -4.599 8.277 2.187 1.00 1.00 C ATOM 964 CG1 VAL A 60 -4.059 9.690 1.909 1.00 1.00 C ATOM 965 CG2 VAL A 60 -5.699 7.951 1.162 1.00 1.00 C ATOM 0 H VAL A 60 -4.890 5.929 2.881 1.00 1.00 H new ATOM 0 HA VAL A 60 -3.179 7.163 1.021 1.00 1.00 H new ATOM 0 HB VAL A 60 -5.006 8.241 3.198 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -4.870 10.413 1.995 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -3.280 9.931 2.632 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -3.643 9.729 0.902 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -6.501 8.684 1.244 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -5.280 7.982 0.156 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -6.096 6.955 1.359 1.00 1.00 H new ATOM 975 N ASP A 61 -2.268 7.466 4.189 1.00 1.00 N ATOM 976 CA ASP A 61 -1.154 7.852 5.047 1.00 1.00 C ATOM 977 C ASP A 61 0.135 7.174 4.589 1.00 1.00 C ATOM 978 O ASP A 61 1.205 7.780 4.644 1.00 1.00 O ATOM 979 CB ASP A 61 -1.456 7.465 6.498 1.00 1.00 C ATOM 980 CG ASP A 61 -0.385 8.030 7.425 1.00 1.00 C ATOM 981 OD1 ASP A 61 -0.203 9.236 7.422 1.00 1.00 O ATOM 982 OD2 ASP A 61 0.236 7.247 8.125 1.00 1.00 O ATOM 0 H ASP A 61 -3.048 7.031 4.682 1.00 1.00 H new ATOM 0 HA ASP A 61 -1.023 8.932 4.981 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -2.436 7.845 6.787 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -1.494 6.380 6.593 1.00 1.00 H new ATOM 987 N CYS A 62 0.021 5.929 4.137 1.00 1.00 N ATOM 988 CA CYS A 62 1.192 5.195 3.665 1.00 1.00 C ATOM 989 C CYS A 62 1.669 5.758 2.328 1.00 1.00 C ATOM 990 O CYS A 62 2.863 5.989 2.134 1.00 1.00 O ATOM 991 CB CYS A 62 0.857 3.711 3.502 1.00 1.00 C ATOM 992 SG CYS A 62 2.291 2.849 2.816 1.00 1.00 S ATOM 0 H CYS A 62 -0.857 5.412 4.087 1.00 1.00 H new ATOM 0 HA CYS A 62 1.986 5.306 4.403 1.00 1.00 H new ATOM 0 HB2 CYS A 62 0.585 3.279 4.465 1.00 1.00 H new ATOM 0 HB3 CYS A 62 -0.004 3.590 2.844 1.00 1.00 H new ATOM 0 HG CYS A 62 1.919 2.129 1.799 1.00 1.00 H new ATOM 998 N TYR A 63 0.730 5.978 1.415 1.00 1.00 N ATOM 999 CA TYR A 63 1.077 6.520 0.103 1.00 1.00 C ATOM 1000 C TYR A 63 1.735 7.895 0.257 1.00 1.00 C ATOM 1001 O TYR A 63 2.769 8.174 -0.347 1.00 1.00 O ATOM 1002 CB TYR A 63 -0.205 6.612 -0.775 1.00 1.00 C ATOM 1003 CG TYR A 63 -0.112 7.774 -1.758 1.00 1.00 C ATOM 1004 CD1 TYR A 63 -0.434 9.070 -1.333 1.00 1.00 C ATOM 1005 CD2 TYR A 63 0.327 7.560 -3.065 1.00 1.00 C ATOM 1006 CE1 TYR A 63 -0.316 10.148 -2.216 1.00 1.00 C ATOM 1007 CE2 TYR A 63 0.441 8.639 -3.950 1.00 1.00 C ATOM 1008 CZ TYR A 63 0.124 9.933 -3.525 1.00 1.00 C ATOM 1009 OH TYR A 63 0.242 10.994 -4.397 1.00 1.00 O ATOM 0 H TYR A 63 -0.264 5.793 1.553 1.00 1.00 H new ATOM 0 HA TYR A 63 1.791 5.858 -0.388 1.00 1.00 H new ATOM 0 HB2 TYR A 63 -0.344 5.679 -1.321 1.00 1.00 H new ATOM 0 HB3 TYR A 63 -1.079 6.740 -0.136 1.00 1.00 H new ATOM 0 HD1 TYR A 63 -0.774 9.237 -0.322 1.00 1.00 H new ATOM 0 HD2 TYR A 63 0.579 6.563 -3.394 1.00 1.00 H new ATOM 0 HE1 TYR A 63 -0.565 11.146 -1.887 1.00 1.00 H new ATOM 0 HE2 TYR A 63 0.775 8.471 -4.963 1.00 1.00 H new ATOM 0 HH TYR A 63 -0.172 10.761 -5.254 1.00 1.00 H new ATOM 1019 N ASN A 64 1.116 8.754 1.064 1.00 1.00 N ATOM 1020 CA ASN A 64 1.642 10.093 1.268 1.00 1.00 C ATOM 1021 C ASN A 64 3.022 10.026 1.901 1.00 1.00 C ATOM 1022 O ASN A 64 3.876 10.865 1.613 1.00 1.00 O ATOM 1023 CB ASN A 64 0.692 10.901 2.148 1.00 1.00 C ATOM 1024 CG ASN A 64 1.249 12.300 2.373 1.00 1.00 C ATOM 1025 OD1 ASN A 64 1.716 12.943 1.433 1.00 1.00 O ATOM 1026 ND2 ASN A 64 1.225 12.815 3.571 1.00 1.00 N ATOM 0 H ASN A 64 0.261 8.547 1.579 1.00 1.00 H new ATOM 0 HA ASN A 64 1.729 10.588 0.301 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -0.289 10.963 1.676 1.00 1.00 H new ATOM 0 HB3 ASN A 64 0.554 10.398 3.105 1.00 1.00 H new ATOM 0 HD21 ASN A 64 1.594 13.753 3.731 1.00 1.00 H new ATOM 0 HD22 ASN A 64 0.837 12.280 4.348 1.00 1.00 H new ATOM 1033 N TYR A 65 3.211 9.026 2.758 1.00 1.00 N ATOM 1034 CA TYR A 65 4.492 8.861 3.420 1.00 1.00 C ATOM 1035 C TYR A 65 5.579 8.568 2.388 1.00 1.00 C ATOM 1036 O TYR A 65 6.658 9.162 2.428 1.00 1.00 O ATOM 1037 CB TYR A 65 4.418 7.718 4.443 1.00 1.00 C ATOM 1038 CG TYR A 65 5.767 7.519 5.096 1.00 1.00 C ATOM 1039 CD1 TYR A 65 6.138 8.322 6.180 1.00 1.00 C ATOM 1040 CD2 TYR A 65 6.640 6.529 4.624 1.00 1.00 C ATOM 1041 CE1 TYR A 65 7.382 8.138 6.793 1.00 1.00 C ATOM 1042 CE2 TYR A 65 7.883 6.343 5.238 1.00 1.00 C ATOM 1043 CZ TYR A 65 8.253 7.148 6.322 1.00 1.00 C ATOM 1044 OH TYR A 65 9.482 6.967 6.923 1.00 1.00 O ATOM 0 H TYR A 65 2.505 8.332 3.004 1.00 1.00 H new ATOM 0 HA TYR A 65 4.738 9.785 3.943 1.00 1.00 H new ATOM 0 HB2 TYR A 65 3.668 7.945 5.201 1.00 1.00 H new ATOM 0 HB3 TYR A 65 4.104 6.798 3.950 1.00 1.00 H new ATOM 0 HD1 TYR A 65 5.464 9.084 6.543 1.00 1.00 H new ATOM 0 HD2 TYR A 65 6.353 5.910 3.787 1.00 1.00 H new ATOM 0 HE1 TYR A 65 7.670 8.759 7.628 1.00 1.00 H new ATOM 0 HE2 TYR A 65 8.556 5.580 4.876 1.00 1.00 H new ATOM 0 HH TYR A 65 9.961 6.239 6.475 1.00 1.00 H new ATOM 1054 N VAL A 66 5.291 7.641 1.480 1.00 1.00 N ATOM 1055 CA VAL A 66 6.257 7.267 0.443 1.00 1.00 C ATOM 1056 C VAL A 66 6.659 8.489 -0.380 1.00 1.00 C ATOM 1057 O VAL A 66 7.783 8.571 -0.879 1.00 1.00 O ATOM 1058 CB VAL A 66 5.670 6.175 -0.470 1.00 1.00 C ATOM 1059 CG1 VAL A 66 6.611 5.903 -1.656 1.00 1.00 C ATOM 1060 CG2 VAL A 66 5.502 4.890 0.341 1.00 1.00 C ATOM 0 H VAL A 66 4.406 7.136 1.437 1.00 1.00 H new ATOM 0 HA VAL A 66 7.148 6.870 0.930 1.00 1.00 H new ATOM 0 HB VAL A 66 4.707 6.511 -0.854 1.00 1.00 H new ATOM 0 HG11 VAL A 66 6.181 5.129 -2.291 1.00 1.00 H new ATOM 0 HG12 VAL A 66 6.740 6.817 -2.235 1.00 1.00 H new ATOM 0 HG13 VAL A 66 7.580 5.570 -1.283 1.00 1.00 H new ATOM 0 HG21 VAL A 66 5.087 4.109 -0.296 1.00 1.00 H new ATOM 0 HG22 VAL A 66 6.472 4.570 0.721 1.00 1.00 H new ATOM 0 HG23 VAL A 66 4.827 5.073 1.177 1.00 1.00 H new ATOM 1070 N ILE A 67 5.742 9.439 -0.537 1.00 1.00 N ATOM 1071 CA ILE A 67 6.023 10.657 -1.304 1.00 1.00 C ATOM 1072 C ILE A 67 6.603 11.738 -0.396 1.00 1.00 C ATOM 1073 O ILE A 67 7.327 12.621 -0.854 1.00 1.00 O ATOM 1074 CB ILE A 67 4.730 11.127 -2.002 1.00 1.00 C ATOM 1075 CG1 ILE A 67 4.501 10.276 -3.291 1.00 1.00 C ATOM 1076 CG2 ILE A 67 4.811 12.631 -2.361 1.00 1.00 C ATOM 1077 CD1 ILE A 67 3.011 10.115 -3.544 1.00 1.00 C ATOM 0 H ILE A 67 4.801 9.393 -0.147 1.00 1.00 H new ATOM 0 HA ILE A 67 6.770 10.447 -2.069 1.00 1.00 H new ATOM 0 HB ILE A 67 3.891 10.990 -1.320 1.00 1.00 H new ATOM 0 HG12 ILE A 67 4.974 10.759 -4.146 1.00 1.00 H new ATOM 0 HG13 ILE A 67 4.968 9.297 -3.179 1.00 1.00 H new ATOM 0 HG21 ILE A 67 3.888 12.938 -2.852 1.00 1.00 H new ATOM 0 HG22 ILE A 67 4.950 13.215 -1.451 1.00 1.00 H new ATOM 0 HG23 ILE A 67 5.653 12.800 -3.033 1.00 1.00 H new ATOM 0 HD11 ILE A 67 2.857 9.520 -4.445 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.550 9.612 -2.694 1.00 1.00 H new ATOM 0 HD13 ILE A 67 2.556 11.097 -3.675 1.00 1.00 H new ATOM 1089 N ASN A 68 6.286 11.676 0.894 1.00 1.00 N ATOM 1090 CA ASN A 68 6.778 12.663 1.842 1.00 1.00 C ATOM 1091 C ASN A 68 8.263 12.449 2.136 1.00 1.00 C ATOM 1092 O ASN A 68 9.112 13.149 1.585 1.00 1.00 O ATOM 1093 CB ASN A 68 5.965 12.564 3.136 1.00 1.00 C ATOM 1094 CG ASN A 68 6.319 13.714 4.069 1.00 1.00 C ATOM 1095 OD1 ASN A 68 7.494 13.941 4.358 1.00 1.00 O ATOM 1096 ND2 ASN A 68 5.366 14.456 4.555 1.00 1.00 N ATOM 0 H ASN A 68 5.693 10.954 1.303 1.00 1.00 H new ATOM 0 HA ASN A 68 6.663 13.656 1.409 1.00 1.00 H new ATOM 0 HB2 ASN A 68 4.900 12.587 2.907 1.00 1.00 H new ATOM 0 HB3 ASN A 68 6.165 11.612 3.628 1.00 1.00 H new ATOM 0 HD21 ASN A 68 5.591 15.231 5.179 1.00 1.00 H new ATOM 0 HD22 ASN A 68 4.395 14.263 4.312 1.00 1.00 H new ATOM 1103 N VAL A 69 8.538 11.486 3.010 1.00 1.00 N ATOM 1104 CA VAL A 69 9.920 11.189 3.378 1.00 1.00 C ATOM 1105 C VAL A 69 10.794 11.046 2.124 1.00 1.00 C ATOM 1106 O VAL A 69 11.925 11.533 2.089 1.00 1.00 O ATOM 1107 CB VAL A 69 9.972 9.896 4.229 1.00 1.00 C ATOM 1108 CG1 VAL A 69 9.172 8.739 3.557 1.00 1.00 C ATOM 1109 CG2 VAL A 69 11.441 9.471 4.445 1.00 1.00 C ATOM 0 H VAL A 69 7.837 10.906 3.470 1.00 1.00 H new ATOM 0 HA VAL A 69 10.312 12.016 3.971 1.00 1.00 H new ATOM 0 HB VAL A 69 9.508 10.105 5.193 1.00 1.00 H new ATOM 0 HG11 VAL A 69 9.229 7.847 4.181 1.00 1.00 H new ATOM 0 HG12 VAL A 69 8.129 9.036 3.443 1.00 1.00 H new ATOM 0 HG13 VAL A 69 9.597 8.524 2.577 1.00 1.00 H new ATOM 0 HG21 VAL A 69 11.472 8.561 5.044 1.00 1.00 H new ATOM 0 HG22 VAL A 69 11.912 9.286 3.480 1.00 1.00 H new ATOM 0 HG23 VAL A 69 11.977 10.266 4.964 1.00 1.00 H new ATOM 1119 N ILE A 70 10.272 10.384 1.097 1.00 1.00 N ATOM 1120 CA ILE A 70 11.000 10.172 -0.155 1.00 1.00 C ATOM 1121 C ILE A 70 10.332 10.962 -1.273 1.00 1.00 C ATOM 1122 O ILE A 70 9.119 10.901 -1.481 1.00 1.00 O ATOM 1123 CB ILE A 70 11.010 8.676 -0.513 1.00 1.00 C ATOM 1124 CG1 ILE A 70 11.533 7.859 0.678 1.00 1.00 C ATOM 1125 CG2 ILE A 70 11.925 8.441 -1.719 1.00 1.00 C ATOM 1126 CD1 ILE A 70 11.324 6.363 0.411 1.00 1.00 C ATOM 0 H ILE A 70 9.336 9.979 1.106 1.00 1.00 H new ATOM 0 HA ILE A 70 12.028 10.514 -0.032 1.00 1.00 H new ATOM 0 HB ILE A 70 9.994 8.363 -0.754 1.00 1.00 H new ATOM 0 HG12 ILE A 70 12.592 8.066 0.836 1.00 1.00 H new ATOM 0 HG13 ILE A 70 11.011 8.152 1.589 1.00 1.00 H new ATOM 0 HG21 ILE A 70 11.930 7.380 -1.971 1.00 1.00 H new ATOM 0 HG22 ILE A 70 11.559 9.014 -2.571 1.00 1.00 H new ATOM 0 HG23 ILE A 70 12.938 8.761 -1.475 1.00 1.00 H new ATOM 0 HD11 ILE A 70 11.696 5.787 1.258 1.00 1.00 H new ATOM 0 HD12 ILE A 70 10.261 6.163 0.275 1.00 1.00 H new ATOM 0 HD13 ILE A 70 11.866 6.075 -0.490 1.00 1.00 H new ATOM 1138 N GLU A 71 11.126 11.723 -2.016 1.00 1.00 N ATOM 1139 CA GLU A 71 10.617 12.532 -3.118 1.00 1.00 C ATOM 1140 C GLU A 71 10.375 11.658 -4.352 1.00 1.00 C ATOM 1141 O GLU A 71 10.345 12.148 -5.480 1.00 1.00 O ATOM 1142 CB GLU A 71 11.626 13.651 -3.453 1.00 1.00 C ATOM 1143 CG GLU A 71 13.066 13.122 -3.350 1.00 1.00 C ATOM 1144 CD GLU A 71 13.247 11.888 -4.230 1.00 1.00 C ATOM 1145 OE1 GLU A 71 13.146 12.028 -5.438 1.00 1.00 O ATOM 1146 OE2 GLU A 71 13.476 10.821 -3.683 1.00 1.00 O ATOM 0 H GLU A 71 12.133 11.797 -1.874 1.00 1.00 H new ATOM 0 HA GLU A 71 9.670 12.981 -2.818 1.00 1.00 H new ATOM 0 HB2 GLU A 71 11.441 14.027 -4.459 1.00 1.00 H new ATOM 0 HB3 GLU A 71 11.490 14.489 -2.769 1.00 1.00 H new ATOM 0 HG2 GLU A 71 13.768 13.899 -3.654 1.00 1.00 H new ATOM 0 HG3 GLU A 71 13.295 12.874 -2.314 1.00 1.00 H new ATOM 1153 N ASP A 72 10.205 10.356 -4.150 1.00 1.00 N ATOM 1154 CA ASP A 72 9.972 9.423 -5.250 1.00 1.00 C ATOM 1155 C ASP A 72 8.496 9.403 -5.623 1.00 1.00 C ATOM 1156 O ASP A 72 7.760 8.484 -5.265 1.00 1.00 O ATOM 1157 CB ASP A 72 10.420 8.016 -4.838 1.00 1.00 C ATOM 1158 CG ASP A 72 10.197 7.024 -5.975 1.00 1.00 C ATOM 1159 OD1 ASP A 72 9.629 7.416 -6.980 1.00 1.00 O ATOM 1160 OD2 ASP A 72 10.600 5.883 -5.821 1.00 1.00 O ATOM 0 H ASP A 72 10.224 9.919 -3.229 1.00 1.00 H new ATOM 0 HA ASP A 72 10.549 9.749 -6.115 1.00 1.00 H new ATOM 0 HB2 ASP A 72 11.475 8.031 -4.563 1.00 1.00 H new ATOM 0 HB3 ASP A 72 9.865 7.696 -3.956 1.00 1.00 H new ATOM 1165 N GLU A 73 8.062 10.421 -6.358 1.00 1.00 N ATOM 1166 CA GLU A 73 6.663 10.533 -6.790 1.00 1.00 C ATOM 1167 C GLU A 73 6.532 10.091 -8.246 1.00 1.00 C ATOM 1168 O GLU A 73 5.429 10.031 -8.790 1.00 1.00 O ATOM 1169 CB GLU A 73 6.172 11.994 -6.626 1.00 1.00 C ATOM 1170 CG GLU A 73 6.923 12.671 -5.476 1.00 1.00 C ATOM 1171 CD GLU A 73 6.269 14.008 -5.130 1.00 1.00 C ATOM 1172 OE1 GLU A 73 5.317 14.372 -5.803 1.00 1.00 O ATOM 1173 OE2 GLU A 73 6.730 14.647 -4.200 1.00 1.00 O ATOM 0 H GLU A 73 8.658 11.187 -6.671 1.00 1.00 H new ATOM 0 HA GLU A 73 6.045 9.885 -6.168 1.00 1.00 H new ATOM 0 HB2 GLU A 73 6.332 12.547 -7.552 1.00 1.00 H new ATOM 0 HB3 GLU A 73 5.100 12.007 -6.429 1.00 1.00 H new ATOM 0 HG2 GLU A 73 6.924 12.021 -4.601 1.00 1.00 H new ATOM 0 HG3 GLU A 73 7.964 12.829 -5.756 1.00 1.00 H new ATOM 1180 N TYR A 74 7.665 9.788 -8.873 1.00 1.00 N ATOM 1181 CA TYR A 74 7.671 9.358 -10.270 1.00 1.00 C ATOM 1182 C TYR A 74 7.299 7.885 -10.374 1.00 1.00 C ATOM 1183 O TYR A 74 7.666 7.206 -11.334 1.00 1.00 O ATOM 1184 CB TYR A 74 9.057 9.580 -10.884 1.00 1.00 C ATOM 1185 CG TYR A 74 9.003 9.285 -12.371 1.00 1.00 C ATOM 1186 CD1 TYR A 74 8.350 10.179 -13.227 1.00 1.00 C ATOM 1187 CD2 TYR A 74 9.589 8.120 -12.893 1.00 1.00 C ATOM 1188 CE1 TYR A 74 8.283 9.913 -14.600 1.00 1.00 C ATOM 1189 CE2 TYR A 74 9.519 7.855 -14.266 1.00 1.00 C ATOM 1190 CZ TYR A 74 8.866 8.751 -15.119 1.00 1.00 C ATOM 1191 OH TYR A 74 8.794 8.488 -16.471 1.00 1.00 O ATOM 0 H TYR A 74 8.587 9.832 -8.439 1.00 1.00 H new ATOM 0 HA TYR A 74 6.936 9.950 -10.815 1.00 1.00 H new ATOM 0 HB2 TYR A 74 9.380 10.608 -10.718 1.00 1.00 H new ATOM 0 HB3 TYR A 74 9.789 8.933 -10.400 1.00 1.00 H new ATOM 0 HD1 TYR A 74 7.897 11.075 -12.828 1.00 1.00 H new ATOM 0 HD2 TYR A 74 10.094 7.428 -12.235 1.00 1.00 H new ATOM 0 HE1 TYR A 74 7.781 10.605 -15.260 1.00 1.00 H new ATOM 0 HE2 TYR A 74 9.969 6.959 -14.667 1.00 1.00 H new ATOM 0 HH TYR A 74 9.250 7.642 -16.665 1.00 1.00 H new ATOM 1201 N ASN A 75 6.566 7.395 -9.380 1.00 1.00 N ATOM 1202 CA ASN A 75 6.140 5.992 -9.363 1.00 1.00 C ATOM 1203 C ASN A 75 4.681 5.882 -9.796 1.00 1.00 C ATOM 1204 O ASN A 75 3.745 6.200 -9.059 1.00 1.00 O ATOM 1205 CB ASN A 75 6.331 5.427 -7.950 1.00 1.00 C ATOM 1206 CG ASN A 75 7.815 5.212 -7.643 1.00 1.00 C ATOM 1207 OD1 ASN A 75 8.182 5.046 -6.480 1.00 1.00 O ATOM 1208 ND2 ASN A 75 8.696 5.213 -8.608 1.00 1.00 N ATOM 0 H ASN A 75 6.254 7.942 -8.578 1.00 1.00 H new ATOM 0 HA ASN A 75 6.745 5.415 -10.063 1.00 1.00 H new ATOM 0 HB2 ASN A 75 5.900 6.111 -7.219 1.00 1.00 H new ATOM 0 HB3 ASN A 75 5.796 4.482 -7.857 1.00 1.00 H new ATOM 0 HD21 ASN A 75 9.684 5.076 -8.396 1.00 1.00 H new ATOM 0 HD22 ASN A 75 8.395 5.350 -9.573 1.00 1.00 H new ATOM 1215 N LYS A 76 4.480 5.417 -11.024 1.00 1.00 N ATOM 1216 CA LYS A 76 3.138 5.266 -11.572 1.00 1.00 C ATOM 1217 C LYS A 76 2.323 4.292 -10.722 1.00 1.00 C ATOM 1218 O LYS A 76 1.142 4.523 -10.467 1.00 1.00 O ATOM 1219 CB LYS A 76 3.230 4.751 -13.022 1.00 1.00 C ATOM 1220 CG LYS A 76 3.590 5.894 -13.987 1.00 1.00 C ATOM 1221 CD LYS A 76 4.985 6.445 -13.662 1.00 1.00 C ATOM 1222 CE LYS A 76 5.450 7.372 -14.787 1.00 1.00 C ATOM 1223 NZ LYS A 76 4.555 8.561 -14.845 1.00 1.00 N ATOM 0 H LYS A 76 5.229 5.138 -11.658 1.00 1.00 H new ATOM 0 HA LYS A 76 2.639 6.235 -11.563 1.00 1.00 H new ATOM 0 HB2 LYS A 76 3.982 3.965 -13.086 1.00 1.00 H new ATOM 0 HB3 LYS A 76 2.279 4.307 -13.316 1.00 1.00 H new ATOM 0 HG2 LYS A 76 3.565 5.533 -15.015 1.00 1.00 H new ATOM 0 HG3 LYS A 76 2.850 6.691 -13.911 1.00 1.00 H new ATOM 0 HD2 LYS A 76 4.961 6.988 -12.717 1.00 1.00 H new ATOM 0 HD3 LYS A 76 5.691 5.624 -13.540 1.00 1.00 H new ATOM 0 HE2 LYS A 76 6.480 7.685 -14.614 1.00 1.00 H new ATOM 0 HE3 LYS A 76 5.434 6.843 -15.740 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 4.970 9.277 -15.475 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 3.623 8.277 -15.210 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 4.446 8.960 -13.891 1.00 1.00 H new ATOM 1237 N ASP A 77 2.961 3.210 -10.289 1.00 1.00 N ATOM 1238 CA ASP A 77 2.280 2.213 -9.476 1.00 1.00 C ATOM 1239 C ASP A 77 1.776 2.837 -8.176 1.00 1.00 C ATOM 1240 O ASP A 77 0.644 2.590 -7.761 1.00 1.00 O ATOM 1241 CB ASP A 77 3.242 1.063 -9.157 1.00 1.00 C ATOM 1242 CG ASP A 77 3.530 0.251 -10.418 1.00 1.00 C ATOM 1243 OD1 ASP A 77 2.817 0.428 -11.392 1.00 1.00 O ATOM 1244 OD2 ASP A 77 4.464 -0.533 -10.389 1.00 1.00 O ATOM 0 H ASP A 77 3.940 3.003 -10.486 1.00 1.00 H new ATOM 0 HA ASP A 77 1.426 1.830 -10.035 1.00 1.00 H new ATOM 0 HB2 ASP A 77 4.172 1.460 -8.751 1.00 1.00 H new ATOM 0 HB3 ASP A 77 2.809 0.419 -8.392 1.00 1.00 H new ATOM 1249 N VAL A 78 2.620 3.642 -7.538 1.00 1.00 N ATOM 1250 CA VAL A 78 2.240 4.287 -6.285 1.00 1.00 C ATOM 1251 C VAL A 78 1.070 5.249 -6.513 1.00 1.00 C ATOM 1252 O VAL A 78 0.068 5.193 -5.799 1.00 1.00 O ATOM 1253 CB VAL A 78 3.446 5.046 -5.707 1.00 1.00 C ATOM 1254 CG1 VAL A 78 3.030 5.844 -4.463 1.00 1.00 C ATOM 1255 CG2 VAL A 78 4.565 4.054 -5.334 1.00 1.00 C ATOM 0 H VAL A 78 3.561 3.862 -7.863 1.00 1.00 H new ATOM 0 HA VAL A 78 1.924 3.523 -5.575 1.00 1.00 H new ATOM 0 HB VAL A 78 3.815 5.738 -6.465 1.00 1.00 H new ATOM 0 HG11 VAL A 78 3.895 6.376 -4.066 1.00 1.00 H new ATOM 0 HG12 VAL A 78 2.256 6.562 -4.733 1.00 1.00 H new ATOM 0 HG13 VAL A 78 2.644 5.162 -3.705 1.00 1.00 H new ATOM 0 HG21 VAL A 78 5.415 4.601 -4.926 1.00 1.00 H new ATOM 0 HG22 VAL A 78 4.194 3.351 -4.589 1.00 1.00 H new ATOM 0 HG23 VAL A 78 4.879 3.508 -6.224 1.00 1.00 H new ATOM 1265 N TRP A 79 1.194 6.126 -7.504 1.00 1.00 N ATOM 1266 CA TRP A 79 0.135 7.086 -7.812 1.00 1.00 C ATOM 1267 C TRP A 79 -1.154 6.354 -8.179 1.00 1.00 C ATOM 1268 O TRP A 79 -2.227 6.680 -7.672 1.00 1.00 O ATOM 1269 CB TRP A 79 0.580 8.013 -8.972 1.00 1.00 C ATOM 1270 CG TRP A 79 1.353 9.188 -8.444 1.00 1.00 C ATOM 1271 CD1 TRP A 79 2.703 9.284 -8.394 1.00 1.00 C ATOM 1272 CD2 TRP A 79 0.835 10.435 -7.901 1.00 1.00 C ATOM 1273 NE1 TRP A 79 3.043 10.510 -7.848 1.00 1.00 N ATOM 1274 CE2 TRP A 79 1.926 11.256 -7.529 1.00 1.00 C ATOM 1275 CE3 TRP A 79 -0.466 10.927 -7.695 1.00 1.00 C ATOM 1276 CZ2 TRP A 79 1.732 12.521 -6.975 1.00 1.00 C ATOM 1277 CZ3 TRP A 79 -0.664 12.199 -7.138 1.00 1.00 C ATOM 1278 CH2 TRP A 79 0.432 12.995 -6.777 1.00 1.00 C ATOM 0 H TRP A 79 2.014 6.193 -8.107 1.00 1.00 H new ATOM 0 HA TRP A 79 -0.055 7.696 -6.929 1.00 1.00 H new ATOM 0 HB2 TRP A 79 1.195 7.453 -9.676 1.00 1.00 H new ATOM 0 HB3 TRP A 79 -0.294 8.363 -9.521 1.00 1.00 H new ATOM 0 HD1 TRP A 79 3.400 8.528 -8.726 1.00 1.00 H new ATOM 0 HE1 TRP A 79 4.002 10.824 -7.699 1.00 1.00 H new ATOM 0 HE3 TRP A 79 -1.318 10.322 -7.967 1.00 1.00 H new ATOM 0 HZ2 TRP A 79 2.580 13.130 -6.701 1.00 1.00 H new ATOM 0 HZ3 TRP A 79 -1.668 12.568 -6.986 1.00 1.00 H new ATOM 0 HH2 TRP A 79 0.272 13.973 -6.347 1.00 1.00 H new ATOM 1289 N ALA A 80 -1.057 5.360 -9.056 1.00 1.00 N ATOM 1290 CA ALA A 80 -2.230 4.605 -9.468 1.00 1.00 C ATOM 1291 C ALA A 80 -2.877 3.915 -8.271 1.00 1.00 C ATOM 1292 O ALA A 80 -4.101 3.910 -8.143 1.00 1.00 O ATOM 1293 CB ALA A 80 -1.824 3.559 -10.505 1.00 1.00 C ATOM 0 H ALA A 80 -0.184 5.062 -9.491 1.00 1.00 H new ATOM 0 HA ALA A 80 -2.954 5.295 -9.902 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -2.703 2.993 -10.814 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -1.389 4.056 -11.372 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -1.090 2.881 -10.070 1.00 1.00 H new ATOM 1299 N ALA A 81 -2.048 3.345 -7.404 1.00 1.00 N ATOM 1300 CA ALA A 81 -2.555 2.655 -6.222 1.00 1.00 C ATOM 1301 C ALA A 81 -3.461 3.574 -5.412 1.00 1.00 C ATOM 1302 O ALA A 81 -4.546 3.174 -4.988 1.00 1.00 O ATOM 1303 CB ALA A 81 -1.394 2.196 -5.343 1.00 1.00 C ATOM 0 H ALA A 81 -1.032 3.346 -7.495 1.00 1.00 H new ATOM 0 HA ALA A 81 -3.128 1.789 -6.554 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -1.784 1.683 -4.464 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -0.757 1.516 -5.908 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -0.811 3.062 -5.029 1.00 1.00 H new ATOM 1309 N LYS A 82 -3.014 4.808 -5.202 1.00 1.00 N ATOM 1310 CA LYS A 82 -3.791 5.774 -4.437 1.00 1.00 C ATOM 1311 C LYS A 82 -5.187 5.936 -5.043 1.00 1.00 C ATOM 1312 O LYS A 82 -6.176 6.070 -4.324 1.00 1.00 O ATOM 1313 CB LYS A 82 -3.077 7.138 -4.429 1.00 1.00 C ATOM 1314 CG LYS A 82 -3.629 8.033 -3.287 1.00 1.00 C ATOM 1315 CD LYS A 82 -3.447 9.516 -3.642 1.00 1.00 C ATOM 1316 CE LYS A 82 -4.005 10.412 -2.528 1.00 1.00 C ATOM 1317 NZ LYS A 82 -3.039 10.450 -1.397 1.00 1.00 N ATOM 0 H LYS A 82 -2.122 5.161 -5.549 1.00 1.00 H new ATOM 0 HA LYS A 82 -3.886 5.407 -3.415 1.00 1.00 H new ATOM 0 HB2 LYS A 82 -2.004 6.993 -4.300 1.00 1.00 H new ATOM 0 HB3 LYS A 82 -3.218 7.635 -5.389 1.00 1.00 H new ATOM 0 HG2 LYS A 82 -4.685 7.817 -3.124 1.00 1.00 H new ATOM 0 HG3 LYS A 82 -3.110 7.808 -2.355 1.00 1.00 H new ATOM 0 HD2 LYS A 82 -2.389 9.732 -3.794 1.00 1.00 H new ATOM 0 HD3 LYS A 82 -3.955 9.735 -4.581 1.00 1.00 H new ATOM 0 HE2 LYS A 82 -4.178 11.419 -2.908 1.00 1.00 H new ATOM 0 HE3 LYS A 82 -4.967 10.031 -2.187 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 -3.290 11.227 -0.752 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 -3.073 9.548 -0.881 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 -2.079 10.602 -1.766 1.00 1.00 H new ATOM 1331 N ALA A 83 -5.263 5.916 -6.370 1.00 1.00 N ATOM 1332 CA ALA A 83 -6.546 6.066 -7.054 1.00 1.00 C ATOM 1333 C ALA A 83 -7.566 5.077 -6.500 1.00 1.00 C ATOM 1334 O ALA A 83 -8.675 5.461 -6.129 1.00 1.00 O ATOM 1335 CB ALA A 83 -6.371 5.836 -8.561 1.00 1.00 C ATOM 0 H ALA A 83 -4.461 5.799 -6.989 1.00 1.00 H new ATOM 0 HA ALA A 83 -6.909 7.080 -6.884 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -7.333 5.950 -9.061 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -5.666 6.565 -8.961 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -5.990 4.830 -8.734 1.00 1.00 H new ATOM 1341 N ASP A 84 -7.179 3.808 -6.445 1.00 1.00 N ATOM 1342 CA ASP A 84 -8.065 2.769 -5.930 1.00 1.00 C ATOM 1343 C ASP A 84 -8.621 3.175 -4.564 1.00 1.00 C ATOM 1344 O ASP A 84 -9.805 2.982 -4.286 1.00 1.00 O ATOM 1345 CB ASP A 84 -7.304 1.445 -5.806 1.00 1.00 C ATOM 1346 CG ASP A 84 -6.964 0.901 -7.191 1.00 1.00 C ATOM 1347 OD1 ASP A 84 -7.529 1.391 -8.155 1.00 1.00 O ATOM 1348 OD2 ASP A 84 -6.143 0.002 -7.266 1.00 1.00 O ATOM 0 H ASP A 84 -6.264 3.474 -6.748 1.00 1.00 H new ATOM 0 HA ASP A 84 -8.894 2.642 -6.626 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -6.390 1.595 -5.232 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -7.908 0.720 -5.261 1.00 1.00 H new ATOM 1353 N ALA A 85 -7.766 3.739 -3.720 1.00 1.00 N ATOM 1354 CA ALA A 85 -8.186 4.172 -2.390 1.00 1.00 C ATOM 1355 C ALA A 85 -9.169 5.334 -2.488 1.00 1.00 C ATOM 1356 O ALA A 85 -10.143 5.404 -1.740 1.00 1.00 O ATOM 1357 CB ALA A 85 -6.964 4.595 -1.573 1.00 1.00 C ATOM 0 H ALA A 85 -6.782 3.907 -3.930 1.00 1.00 H new ATOM 0 HA ALA A 85 -8.683 3.338 -1.894 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -7.283 4.917 -0.582 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -6.280 3.752 -1.478 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -6.457 5.418 -2.076 1.00 1.00 H new ATOM 1363 N LEU A 86 -8.903 6.244 -3.417 1.00 1.00 N ATOM 1364 CA LEU A 86 -9.764 7.405 -3.618 1.00 1.00 C ATOM 1365 C LEU A 86 -11.077 6.994 -4.278 1.00 1.00 C ATOM 1366 O LEU A 86 -12.125 7.583 -4.015 1.00 1.00 O ATOM 1367 CB LEU A 86 -9.042 8.435 -4.490 1.00 1.00 C ATOM 1368 CG LEU A 86 -7.795 8.976 -3.760 1.00 1.00 C ATOM 1369 CD1 LEU A 86 -6.951 9.805 -4.742 1.00 1.00 C ATOM 1370 CD2 LEU A 86 -8.196 9.857 -2.549 1.00 1.00 C ATOM 0 H LEU A 86 -8.099 6.201 -4.043 1.00 1.00 H new ATOM 0 HA LEU A 86 -9.990 7.845 -2.647 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -8.749 7.979 -5.436 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -9.717 9.257 -4.728 1.00 1.00 H new ATOM 0 HG LEU A 86 -7.216 8.130 -3.390 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -6.069 10.189 -4.229 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -6.641 9.176 -5.576 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -7.544 10.639 -5.117 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -7.298 10.225 -2.053 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -8.791 10.702 -2.895 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -8.782 9.264 -1.846 1.00 1.00 H new ATOM 1382 N ARG A 87 -11.006 5.978 -5.131 1.00 1.00 N ATOM 1383 CA ARG A 87 -12.195 5.501 -5.828 1.00 1.00 C ATOM 1384 C ARG A 87 -13.226 4.963 -4.841 1.00 1.00 C ATOM 1385 O ARG A 87 -14.393 4.788 -5.187 1.00 1.00 O ATOM 1386 CB ARG A 87 -11.804 4.417 -6.836 1.00 1.00 C ATOM 1387 CG ARG A 87 -13.030 4.015 -7.661 1.00 1.00 C ATOM 1388 CD ARG A 87 -12.597 3.111 -8.811 1.00 1.00 C ATOM 1389 NE ARG A 87 -13.770 2.615 -9.524 1.00 1.00 N ATOM 1390 CZ ARG A 87 -13.652 1.859 -10.611 1.00 1.00 C ATOM 1391 NH1 ARG A 87 -12.470 1.543 -11.064 1.00 1.00 N ATOM 1392 NH2 ARG A 87 -14.721 1.431 -11.224 1.00 1.00 N ATOM 0 H ARG A 87 -10.148 5.474 -5.355 1.00 1.00 H new ATOM 0 HA ARG A 87 -12.646 6.338 -6.361 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -11.016 4.785 -7.493 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -11.404 3.548 -6.314 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -13.752 3.497 -7.030 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -13.527 4.904 -8.050 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -11.952 3.662 -9.495 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -12.014 2.274 -8.427 1.00 1.00 H new ATOM 0 HE ARG A 87 -14.700 2.854 -9.181 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -11.634 1.876 -10.584 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -12.382 0.963 -11.898 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -15.645 1.677 -10.869 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -14.633 0.851 -12.058 1.00 1.00 H new ATOM 1406 N TYR A 88 -12.780 4.705 -3.615 1.00 1.00 N ATOM 1407 CA TYR A 88 -13.655 4.184 -2.559 1.00 1.00 C ATOM 1408 C TYR A 88 -13.376 4.882 -1.231 1.00 1.00 C ATOM 1409 O TYR A 88 -13.020 4.247 -0.238 1.00 1.00 O ATOM 1410 CB TYR A 88 -13.440 2.676 -2.413 1.00 1.00 C ATOM 1411 CG TYR A 88 -13.937 1.978 -3.661 1.00 1.00 C ATOM 1412 CD1 TYR A 88 -15.301 1.701 -3.804 1.00 1.00 C ATOM 1413 CD2 TYR A 88 -13.040 1.614 -4.677 1.00 1.00 C ATOM 1414 CE1 TYR A 88 -15.771 1.063 -4.957 1.00 1.00 C ATOM 1415 CE2 TYR A 88 -13.510 0.976 -5.830 1.00 1.00 C ATOM 1416 CZ TYR A 88 -14.876 0.700 -5.971 1.00 1.00 C ATOM 1417 OH TYR A 88 -15.341 0.073 -7.109 1.00 1.00 O ATOM 0 H TYR A 88 -11.813 4.848 -3.323 1.00 1.00 H new ATOM 0 HA TYR A 88 -14.691 4.379 -2.836 1.00 1.00 H new ATOM 0 HB2 TYR A 88 -12.383 2.461 -2.258 1.00 1.00 H new ATOM 0 HB3 TYR A 88 -13.972 2.304 -1.538 1.00 1.00 H new ATOM 0 HD1 TYR A 88 -15.992 1.980 -3.023 1.00 1.00 H new ATOM 0 HD2 TYR A 88 -11.987 1.826 -4.569 1.00 1.00 H new ATOM 0 HE1 TYR A 88 -16.824 0.850 -5.065 1.00 1.00 H new ATOM 0 HE2 TYR A 88 -12.819 0.696 -6.612 1.00 1.00 H new ATOM 0 HH TYR A 88 -14.590 -0.109 -7.712 1.00 1.00 H new ATOM 1427 N ILE A 89 -13.539 6.201 -1.204 1.00 1.00 N ATOM 1428 CA ILE A 89 -13.312 7.010 0.004 1.00 1.00 C ATOM 1429 C ILE A 89 -14.519 7.906 0.281 1.00 1.00 C ATOM 1430 O ILE A 89 -15.167 8.406 -0.639 1.00 1.00 O ATOM 1431 CB ILE A 89 -12.047 7.879 -0.168 1.00 1.00 C ATOM 1432 CG1 ILE A 89 -11.637 8.475 1.191 1.00 1.00 C ATOM 1433 CG2 ILE A 89 -12.313 9.020 -1.167 1.00 1.00 C ATOM 1434 CD1 ILE A 89 -10.260 9.130 1.071 1.00 1.00 C ATOM 0 H ILE A 89 -13.832 6.746 -2.015 1.00 1.00 H new ATOM 0 HA ILE A 89 -13.172 6.336 0.849 1.00 1.00 H new ATOM 0 HB ILE A 89 -11.242 7.252 -0.551 1.00 1.00 H new ATOM 0 HG12 ILE A 89 -12.374 9.211 1.514 1.00 1.00 H new ATOM 0 HG13 ILE A 89 -11.614 7.693 1.950 1.00 1.00 H new ATOM 0 HG21 ILE A 89 -11.412 9.624 -1.278 1.00 1.00 H new ATOM 0 HG22 ILE A 89 -12.589 8.600 -2.134 1.00 1.00 H new ATOM 0 HG23 ILE A 89 -13.126 9.645 -0.797 1.00 1.00 H new ATOM 0 HD11 ILE A 89 -9.972 9.551 2.034 1.00 1.00 H new ATOM 0 HD12 ILE A 89 -9.527 8.383 0.768 1.00 1.00 H new ATOM 0 HD13 ILE A 89 -10.298 9.924 0.325 1.00 1.00 H new ATOM 1446 N GLU A 90 -14.819 8.118 1.558 1.00 1.00 N ATOM 1447 CA GLU A 90 -15.942 8.960 1.942 1.00 1.00 C ATOM 1448 C GLU A 90 -15.772 10.368 1.384 1.00 1.00 C ATOM 1449 O GLU A 90 -14.672 10.923 1.381 1.00 1.00 O ATOM 1450 CB GLU A 90 -16.053 9.008 3.468 1.00 1.00 C ATOM 1451 CG GLU A 90 -14.767 9.587 4.070 1.00 1.00 C ATOM 1452 CD GLU A 90 -14.836 9.528 5.592 1.00 1.00 C ATOM 1453 OE1 GLU A 90 -15.324 8.535 6.106 1.00 1.00 O ATOM 1454 OE2 GLU A 90 -14.398 10.477 6.221 1.00 1.00 O ATOM 0 H GLU A 90 -14.301 7.719 2.341 1.00 1.00 H new ATOM 0 HA GLU A 90 -16.857 8.535 1.528 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -16.908 9.619 3.760 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -16.229 8.006 3.860 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -13.903 9.025 3.714 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -14.634 10.618 3.743 1.00 1.00 H new ATOM 1505 N VAL A 94 -13.886 14.717 -6.913 1.00 1.00 N ATOM 1506 CA VAL A 94 -13.128 14.640 -8.166 1.00 1.00 C ATOM 1507 C VAL A 94 -11.766 14.000 -7.927 1.00 1.00 C ATOM 1508 O VAL A 94 -10.945 13.920 -8.841 1.00 1.00 O ATOM 1509 CB VAL A 94 -12.945 16.041 -8.757 1.00 1.00 C ATOM 1510 CG1 VAL A 94 -14.307 16.600 -9.173 1.00 1.00 C ATOM 1511 CG2 VAL A 94 -12.317 16.965 -7.711 1.00 1.00 C ATOM 0 HA VAL A 94 -13.687 14.024 -8.870 1.00 1.00 H new ATOM 0 HB VAL A 94 -12.291 15.982 -9.627 1.00 1.00 H new ATOM 0 HG11 VAL A 94 -14.178 17.597 -9.594 1.00 1.00 H new ATOM 0 HG12 VAL A 94 -14.756 15.946 -9.921 1.00 1.00 H new ATOM 0 HG13 VAL A 94 -14.959 16.656 -8.301 1.00 1.00 H new ATOM 0 HG21 VAL A 94 -12.188 17.961 -8.135 1.00 1.00 H new ATOM 0 HG22 VAL A 94 -12.969 17.023 -6.839 1.00 1.00 H new ATOM 0 HG23 VAL A 94 -11.346 16.570 -7.412 1.00 1.00 H new ATOM 1521 N GLU A 95 -11.527 13.542 -6.703 1.00 1.00 N ATOM 1522 CA GLU A 95 -10.257 12.914 -6.365 1.00 1.00 C ATOM 1523 C GLU A 95 -10.041 11.657 -7.207 1.00 1.00 C ATOM 1524 O GLU A 95 -9.002 11.497 -7.848 1.00 1.00 O ATOM 1525 CB GLU A 95 -10.243 12.540 -4.876 1.00 1.00 C ATOM 1526 CG GLU A 95 -10.204 13.811 -4.017 1.00 1.00 C ATOM 1527 CD GLU A 95 -10.333 13.453 -2.537 1.00 1.00 C ATOM 1528 OE1 GLU A 95 -10.494 12.282 -2.238 1.00 1.00 O ATOM 1529 OE2 GLU A 95 -10.274 14.361 -1.723 1.00 1.00 O ATOM 0 H GLU A 95 -12.193 13.594 -5.932 1.00 1.00 H new ATOM 0 HA GLU A 95 -9.454 13.621 -6.573 1.00 1.00 H new ATOM 0 HB2 GLU A 95 -11.128 11.953 -4.632 1.00 1.00 H new ATOM 0 HB3 GLU A 95 -9.376 11.916 -4.657 1.00 1.00 H new ATOM 0 HG2 GLU A 95 -9.270 14.346 -4.189 1.00 1.00 H new ATOM 0 HG3 GLU A 95 -11.013 14.480 -4.308 1.00 1.00 H new ATOM 1536 N ALA A 96 -11.027 10.765 -7.209 1.00 1.00 N ATOM 1537 CA ALA A 96 -10.923 9.531 -7.979 1.00 1.00 C ATOM 1538 C ALA A 96 -10.724 9.834 -9.463 1.00 1.00 C ATOM 1539 O ALA A 96 -9.961 9.151 -10.144 1.00 1.00 O ATOM 1540 CB ALA A 96 -12.191 8.690 -7.797 1.00 1.00 C ATOM 0 H ALA A 96 -11.899 10.872 -6.691 1.00 1.00 H new ATOM 0 HA ALA A 96 -10.060 8.974 -7.614 1.00 1.00 H new ATOM 0 HB1 ALA A 96 -12.104 7.771 -8.376 1.00 1.00 H new ATOM 0 HB2 ALA A 96 -12.316 8.444 -6.742 1.00 1.00 H new ATOM 0 HB3 ALA A 96 -13.056 9.256 -8.143 1.00 1.00 H new ATOM 1546 N GLU A 97 -11.415 10.860 -9.952 1.00 1.00 N ATOM 1547 CA GLU A 97 -11.298 11.226 -11.359 1.00 1.00 C ATOM 1548 C GLU A 97 -9.897 11.748 -11.667 1.00 1.00 C ATOM 1549 O GLU A 97 -9.247 11.291 -12.606 1.00 1.00 O ATOM 1550 CB GLU A 97 -12.335 12.304 -11.693 1.00 1.00 C ATOM 1551 CG GLU A 97 -12.312 12.620 -13.193 1.00 1.00 C ATOM 1552 CD GLU A 97 -13.389 13.648 -13.527 1.00 1.00 C ATOM 1553 OE1 GLU A 97 -13.909 14.255 -12.604 1.00 1.00 O ATOM 1554 OE2 GLU A 97 -13.683 13.809 -14.700 1.00 1.00 O ATOM 0 H GLU A 97 -12.050 11.443 -9.407 1.00 1.00 H new ATOM 0 HA GLU A 97 -11.478 10.339 -11.967 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -13.329 11.964 -11.401 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -12.126 13.208 -11.121 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -11.332 13.003 -13.477 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -12.477 11.709 -13.768 1.00 1.00 H new ATOM 1561 N ILE A 98 -9.429 12.706 -10.872 1.00 1.00 N ATOM 1562 CA ILE A 98 -8.101 13.277 -11.074 1.00 1.00 C ATOM 1563 C ILE A 98 -7.036 12.193 -10.909 1.00 1.00 C ATOM 1564 O ILE A 98 -6.092 12.118 -11.696 1.00 1.00 O ATOM 1565 CB ILE A 98 -7.858 14.408 -10.059 1.00 1.00 C ATOM 1566 CG1 ILE A 98 -8.800 15.581 -10.372 1.00 1.00 C ATOM 1567 CG2 ILE A 98 -6.397 14.892 -10.140 1.00 1.00 C ATOM 1568 CD1 ILE A 98 -8.776 16.582 -9.215 1.00 1.00 C ATOM 0 H ILE A 98 -9.946 13.101 -10.087 1.00 1.00 H new ATOM 0 HA ILE A 98 -8.039 13.684 -12.083 1.00 1.00 H new ATOM 0 HB ILE A 98 -8.052 14.032 -9.054 1.00 1.00 H new ATOM 0 HG12 ILE A 98 -8.493 16.071 -11.296 1.00 1.00 H new ATOM 0 HG13 ILE A 98 -9.815 15.214 -10.528 1.00 1.00 H new ATOM 0 HG21 ILE A 98 -6.238 15.692 -9.417 1.00 1.00 H new ATOM 0 HG22 ILE A 98 -5.726 14.063 -9.917 1.00 1.00 H new ATOM 0 HG23 ILE A 98 -6.192 15.264 -11.144 1.00 1.00 H new ATOM 0 HD11 ILE A 98 -9.445 17.413 -9.439 1.00 1.00 H new ATOM 0 HD12 ILE A 98 -9.104 16.089 -8.300 1.00 1.00 H new ATOM 0 HD13 ILE A 98 -7.762 16.958 -9.080 1.00 1.00 H new ATOM 1580 N ALA A 99 -7.188 11.358 -9.886 1.00 1.00 N ATOM 1581 CA ALA A 99 -6.217 10.298 -9.645 1.00 1.00 C ATOM 1582 C ALA A 99 -6.197 9.296 -10.797 1.00 1.00 C ATOM 1583 O ALA A 99 -5.139 9.019 -11.364 1.00 1.00 O ATOM 1584 CB ALA A 99 -6.560 9.573 -8.342 1.00 1.00 C ATOM 0 H ALA A 99 -7.961 11.393 -9.221 1.00 1.00 H new ATOM 0 HA ALA A 99 -5.229 10.752 -9.568 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -5.833 8.781 -8.164 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -6.535 10.281 -7.514 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.557 9.139 -8.418 1.00 1.00 H new ATOM 1590 N GLU A 100 -7.375 8.775 -11.127 1.00 1.00 N ATOM 1591 CA GLU A 100 -7.478 7.804 -12.212 1.00 1.00 C ATOM 1592 C GLU A 100 -6.940 8.398 -13.515 1.00 1.00 C ATOM 1593 O GLU A 100 -6.238 7.724 -14.269 1.00 1.00 O ATOM 1594 CB GLU A 100 -8.940 7.383 -12.398 1.00 1.00 C ATOM 1595 CG GLU A 100 -9.025 6.249 -13.426 1.00 1.00 C ATOM 1596 CD GLU A 100 -10.467 5.763 -13.550 1.00 1.00 C ATOM 1597 OE1 GLU A 100 -11.346 6.432 -13.032 1.00 1.00 O ATOM 1598 OE2 GLU A 100 -10.669 4.727 -14.162 1.00 1.00 O ATOM 0 H GLU A 100 -8.257 9.003 -10.668 1.00 1.00 H new ATOM 0 HA GLU A 100 -6.881 6.929 -11.954 1.00 1.00 H new ATOM 0 HB2 GLU A 100 -9.358 7.056 -11.446 1.00 1.00 H new ATOM 0 HB3 GLU A 100 -9.534 8.234 -12.731 1.00 1.00 H new ATOM 0 HG2 GLU A 100 -8.665 6.597 -14.394 1.00 1.00 H new ATOM 0 HG3 GLU A 100 -8.379 5.424 -13.124 1.00 1.00 H new ATOM 1605 N ALA A 101 -7.279 9.657 -13.770 1.00 1.00 N ATOM 1606 CA ALA A 101 -6.821 10.330 -14.988 1.00 1.00 C ATOM 1607 C ALA A 101 -5.333 10.676 -14.898 1.00 1.00 C ATOM 1608 O ALA A 101 -4.561 10.401 -15.817 1.00 1.00 O ATOM 1609 CB ALA A 101 -7.633 11.607 -15.212 1.00 1.00 C ATOM 0 H ALA A 101 -7.862 10.230 -13.160 1.00 1.00 H new ATOM 0 HA ALA A 101 -6.967 9.651 -15.828 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -7.288 12.103 -16.119 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -8.688 11.354 -15.316 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -7.502 12.275 -14.361 1.00 1.00 H new ATOM 1615 N ARG A 102 -4.939 11.284 -13.783 1.00 1.00 N ATOM 1616 CA ARG A 102 -3.544 11.670 -13.567 1.00 1.00 C ATOM 1617 C ARG A 102 -2.640 10.439 -13.572 1.00 1.00 C ATOM 1618 O ARG A 102 -1.524 10.474 -14.092 1.00 1.00 O ATOM 1619 CB ARG A 102 -3.404 12.424 -12.238 1.00 1.00 C ATOM 1620 CG ARG A 102 -1.959 12.902 -12.063 1.00 1.00 C ATOM 1621 CD ARG A 102 -1.849 13.780 -10.812 1.00 1.00 C ATOM 1622 NE ARG A 102 -2.577 15.031 -10.997 1.00 1.00 N ATOM 1623 CZ ARG A 102 -2.687 15.916 -10.009 1.00 1.00 C ATOM 1624 NH1 ARG A 102 -2.137 15.672 -8.851 1.00 1.00 N ATOM 1625 NH2 ARG A 102 -3.343 17.030 -10.196 1.00 1.00 N ATOM 0 H ARG A 102 -5.565 11.521 -13.013 1.00 1.00 H new ATOM 0 HA ARG A 102 -3.237 12.328 -14.380 1.00 1.00 H new ATOM 0 HB2 ARG A 102 -4.083 13.276 -12.219 1.00 1.00 H new ATOM 0 HB3 ARG A 102 -3.685 11.774 -11.409 1.00 1.00 H new ATOM 0 HG2 ARG A 102 -1.291 12.045 -11.977 1.00 1.00 H new ATOM 0 HG3 ARG A 102 -1.644 13.464 -12.942 1.00 1.00 H new ATOM 0 HD2 ARG A 102 -2.247 13.245 -9.950 1.00 1.00 H new ATOM 0 HD3 ARG A 102 -0.801 13.991 -10.600 1.00 1.00 H new ATOM 0 HE ARG A 102 -3.009 15.231 -11.899 1.00 1.00 H new ATOM 0 HH11 ARG A 102 -1.623 14.803 -8.703 1.00 1.00 H new ATOM 0 HH12 ARG A 102 -2.221 16.350 -8.094 1.00 1.00 H new ATOM 0 HH21 ARG A 102 -3.772 17.223 -11.101 1.00 1.00 H new ATOM 0 HH22 ARG A 102 -3.426 17.707 -9.437 1.00 1.00 H new ATOM 1639 N ALA A 103 -3.116 9.344 -12.987 1.00 1.00 N ATOM 1640 CA ALA A 103 -2.335 8.113 -12.926 1.00 1.00 C ATOM 1641 C ALA A 103 -1.984 7.625 -14.330 1.00 1.00 C ATOM 1642 O ALA A 103 -0.872 7.153 -14.567 1.00 1.00 O ATOM 1643 CB ALA A 103 -3.130 7.031 -12.196 1.00 1.00 C ATOM 0 H ALA A 103 -4.036 9.284 -12.550 1.00 1.00 H new ATOM 0 HA ALA A 103 -1.411 8.319 -12.385 1.00 1.00 H new ATOM 0 HB1 ALA A 103 -2.542 6.114 -12.153 1.00 1.00 H new ATOM 0 HB2 ALA A 103 -3.355 7.365 -11.183 1.00 1.00 H new ATOM 0 HB3 ALA A 103 -4.061 6.841 -12.730 1.00 1.00 H new ATOM 1649 N LYS A 104 -2.938 7.743 -15.248 1.00 1.00 N ATOM 1650 CA LYS A 104 -2.727 7.320 -16.630 1.00 1.00 C ATOM 1651 C LYS A 104 -1.617 8.139 -17.280 1.00 1.00 C ATOM 1652 O LYS A 104 -0.821 7.606 -18.054 1.00 1.00 O ATOM 1653 CB LYS A 104 -4.041 7.476 -17.433 1.00 1.00 C ATOM 1654 CG LYS A 104 -4.967 6.254 -17.229 1.00 1.00 C ATOM 1655 CD LYS A 104 -4.576 5.121 -18.196 1.00 1.00 C ATOM 1656 CE LYS A 104 -5.577 3.977 -18.067 1.00 1.00 C ATOM 1657 NZ LYS A 104 -6.905 4.436 -18.559 1.00 1.00 N ATOM 0 H LYS A 104 -3.864 8.127 -15.061 1.00 1.00 H new ATOM 0 HA LYS A 104 -2.427 6.272 -16.631 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -4.557 8.383 -17.119 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -3.812 7.590 -18.493 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -4.896 5.903 -16.199 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -6.004 6.543 -17.397 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -4.561 5.492 -19.221 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -3.570 4.766 -17.970 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -5.240 3.115 -18.643 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -5.651 3.657 -17.028 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -7.480 3.612 -18.827 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -7.390 4.966 -17.807 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -6.775 5.051 -19.387 1.00 1.00 H new ATOM 1671 N LEU A 105 -1.576 9.429 -16.963 1.00 1.00 N ATOM 1672 CA LEU A 105 -0.554 10.302 -17.536 1.00 1.00 C ATOM 1673 C LEU A 105 0.824 9.650 -17.410 1.00 1.00 C ATOM 1674 O LEU A 105 1.511 9.798 -16.399 1.00 1.00 O ATOM 1675 CB LEU A 105 -0.572 11.666 -16.818 1.00 1.00 C ATOM 1676 CG LEU A 105 0.052 12.761 -17.701 1.00 1.00 C ATOM 1677 CD1 LEU A 105 -0.079 14.107 -16.984 1.00 1.00 C ATOM 1678 CD2 LEU A 105 1.541 12.455 -17.971 1.00 1.00 C ATOM 0 H LEU A 105 -2.225 9.888 -16.324 1.00 1.00 H new ATOM 0 HA LEU A 105 -0.767 10.458 -18.593 1.00 1.00 H new ATOM 0 HB2 LEU A 105 -1.598 11.936 -16.568 1.00 1.00 H new ATOM 0 HB3 LEU A 105 -0.023 11.594 -15.879 1.00 1.00 H new ATOM 0 HG LEU A 105 -0.470 12.795 -18.657 1.00 1.00 H new ATOM 0 HD11 LEU A 105 0.360 14.892 -17.600 1.00 1.00 H new ATOM 0 HD12 LEU A 105 -1.133 14.327 -16.813 1.00 1.00 H new ATOM 0 HD13 LEU A 105 0.442 14.062 -16.028 1.00 1.00 H new ATOM 0 HD21 LEU A 105 1.966 13.240 -18.597 1.00 1.00 H new ATOM 0 HD22 LEU A 105 2.081 12.413 -17.025 1.00 1.00 H new ATOM 0 HD23 LEU A 105 1.629 11.496 -18.482 1.00 1.00 H new