USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 706 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 83 TYR OH : rot -146:sc= 0.897 USER MOD Set 1.2: A 87 TYR OH : rot -132:sc= 0.607 USER MOD Set 2.1: A 48 TYR OH : rot 150:sc= 0.277 USER MOD Set 2.2: A 98 LYS NZ :NH3+ 134:sc= 0.89 (180deg=-0.0527) USER MOD Set 3.1: A 24 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-2.7!) USER MOD Set 3.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0698 X(o=-0.07,f=-0.052) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 25 ASN : amide:sc= -0.348 K(o=-0.35,f=-5.7!) USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= -0.0494 (180deg=-0.278) USER MOD Single : A 31 ASN : amide:sc= -0.472 K(o=-0.47,f=-2.2) USER MOD Single : A 36 LYS NZ :NH3+ -172:sc=-0.00715 (180deg=-0.0854) USER MOD Single : A 39 TYR OH : rot 60:sc= 0.0826 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0027 USER MOD Single : A 44 ASN : amide:sc= -0.0439 K(o=-0.044,f=-6.8!) USER MOD Single : A 45 LYS NZ :NH3+ -106:sc= -1.26 (180deg=-3.63!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0109 X(o=-0.011,f=-0.5) USER MOD Single : A 61 LYS NZ :NH3+ -169:sc= -0.0273 (180deg=-0.184) USER MOD Single : A 75 THR OG1 : rot -41:sc= 0.138 USER MOD Single : A 76 LYS NZ :NH3+ 160:sc= 1.19 (180deg=0.342) USER MOD Single : A 78 SER OG : rot 85:sc= 0.874 USER MOD Single : A 79 THR OG1 : rot -28:sc= 0.351 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN :FLIP amide:sc= -0.112 F(o=-2.3!,f=-0.11) USER MOD Single : A 102 LYS NZ :NH3+ -173:sc=-0.00328 (180deg=-0.0812) USER MOD ----------------------------------------------------------------- ATOM 135 N GLY A 9 9.726 -1.436 -14.676 1.00 22.23 N ATOM 136 CA GLY A 9 10.321 -1.070 -13.411 1.00 21.02 C ATOM 137 C GLY A 9 10.543 0.425 -13.320 1.00 14.20 C ATOM 138 O GLY A 9 11.294 0.998 -14.116 1.00 24.11 O ATOM 0 HA2 GLY A 9 9.675 -1.394 -12.595 1.00 21.02 H new ATOM 0 HA3 GLY A 9 11.272 -1.589 -13.290 1.00 21.02 H new ATOM 142 N GLU A 10 9.871 1.066 -12.376 1.00 42.25 N ATOM 143 CA GLU A 10 10.025 2.497 -12.148 1.00 24.11 C ATOM 144 C GLU A 10 10.394 2.730 -10.687 1.00 44.14 C ATOM 145 O GLU A 10 11.480 3.226 -10.374 1.00 25.33 O ATOM 146 CB GLU A 10 8.726 3.235 -12.504 1.00 45.02 C ATOM 147 CG GLU A 10 8.887 4.744 -12.646 1.00 4.44 C ATOM 148 CD GLU A 10 9.799 5.124 -13.803 1.00 60.42 C ATOM 149 OE1 GLU A 10 9.408 4.900 -14.968 1.00 65.32 O ATOM 150 OE2 GLU A 10 10.909 5.642 -13.561 1.00 31.14 O ATOM 0 H GLU A 10 9.207 0.613 -11.749 1.00 42.25 H new ATOM 0 HA GLU A 10 10.819 2.887 -12.785 1.00 24.11 H new ATOM 0 HB2 GLU A 10 8.336 2.832 -13.439 1.00 45.02 H new ATOM 0 HB3 GLU A 10 7.982 3.031 -11.734 1.00 45.02 H new ATOM 0 HG2 GLU A 10 7.908 5.199 -12.795 1.00 4.44 H new ATOM 0 HG3 GLU A 10 9.291 5.152 -11.720 1.00 4.44 H new ATOM 157 N ILE A 11 9.480 2.348 -9.797 1.00 43.50 N ATOM 158 CA ILE A 11 9.719 2.396 -8.357 1.00 15.44 C ATOM 159 C ILE A 11 9.253 1.085 -7.723 1.00 51.53 C ATOM 160 O ILE A 11 8.086 0.931 -7.345 1.00 21.32 O ATOM 161 CB ILE A 11 8.999 3.600 -7.677 1.00 61.21 C ATOM 162 CG1 ILE A 11 9.456 4.929 -8.308 1.00 64.54 C ATOM 163 CG2 ILE A 11 9.258 3.604 -6.168 1.00 12.11 C ATOM 164 CD1 ILE A 11 8.779 6.156 -7.724 1.00 44.30 C ATOM 0 H ILE A 11 8.557 1.998 -10.053 1.00 43.50 H new ATOM 0 HA ILE A 11 10.789 2.532 -8.202 1.00 15.44 H new ATOM 0 HB ILE A 11 7.926 3.492 -7.839 1.00 61.21 H new ATOM 0 HG12 ILE A 11 10.534 5.027 -8.182 1.00 64.54 H new ATOM 0 HG13 ILE A 11 9.262 4.896 -9.380 1.00 64.54 H new ATOM 0 HG21 ILE A 11 8.746 4.452 -5.713 1.00 12.11 H new ATOM 0 HG22 ILE A 11 8.883 2.678 -5.732 1.00 12.11 H new ATOM 0 HG23 ILE A 11 10.329 3.685 -5.983 1.00 12.11 H new ATOM 0 HD11 ILE A 11 9.155 7.050 -8.221 1.00 44.30 H new ATOM 0 HD12 ILE A 11 7.702 6.083 -7.874 1.00 44.30 H new ATOM 0 HD13 ILE A 11 8.994 6.217 -6.657 1.00 44.30 H new ATOM 176 N MET A 12 10.171 0.132 -7.658 1.00 20.41 N ATOM 177 CA MET A 12 9.900 -1.195 -7.113 1.00 12.54 C ATOM 178 C MET A 12 10.259 -1.244 -5.628 1.00 65.04 C ATOM 179 O MET A 12 11.318 -0.762 -5.221 1.00 15.52 O ATOM 180 CB MET A 12 10.692 -2.263 -7.891 1.00 54.21 C ATOM 181 CG MET A 12 12.193 -1.990 -7.964 1.00 0.41 C ATOM 182 SD MET A 12 12.578 -0.492 -8.897 1.00 14.12 S ATOM 183 CE MET A 12 14.319 -0.286 -8.532 1.00 41.03 C ATOM 0 H MET A 12 11.130 0.256 -7.983 1.00 20.41 H new ATOM 0 HA MET A 12 8.836 -1.404 -7.219 1.00 12.54 H new ATOM 0 HB2 MET A 12 10.532 -3.234 -7.422 1.00 54.21 H new ATOM 0 HB3 MET A 12 10.295 -2.329 -8.904 1.00 54.21 H new ATOM 0 HG2 MET A 12 12.592 -1.898 -6.954 1.00 0.41 H new ATOM 0 HG3 MET A 12 12.692 -2.841 -8.427 1.00 0.41 H new ATOM 0 HE1 MET A 12 14.695 0.601 -9.041 1.00 41.03 H new ATOM 0 HE2 MET A 12 14.454 -0.172 -7.456 1.00 41.03 H new ATOM 0 HE3 MET A 12 14.869 -1.162 -8.876 1.00 41.03 H new ATOM 193 N ILE A 13 9.370 -1.817 -4.823 1.00 51.43 N ATOM 194 CA ILE A 13 9.554 -1.892 -3.374 1.00 24.12 C ATOM 195 C ILE A 13 9.731 -3.345 -2.931 1.00 41.50 C ATOM 196 O ILE A 13 8.758 -4.091 -2.816 1.00 3.34 O ATOM 197 CB ILE A 13 8.347 -1.269 -2.623 1.00 42.24 C ATOM 198 CG1 ILE A 13 8.032 0.133 -3.173 1.00 34.41 C ATOM 199 CG2 ILE A 13 8.610 -1.210 -1.118 1.00 4.11 C ATOM 200 CD1 ILE A 13 9.181 1.112 -3.061 1.00 21.12 C ATOM 0 H ILE A 13 8.504 -2.242 -5.153 1.00 51.43 H new ATOM 0 HA ILE A 13 10.452 -1.325 -3.127 1.00 24.12 H new ATOM 0 HB ILE A 13 7.480 -1.908 -2.790 1.00 42.24 H new ATOM 0 HG12 ILE A 13 7.745 0.045 -4.221 1.00 34.41 H new ATOM 0 HG13 ILE A 13 7.171 0.536 -2.639 1.00 34.41 H new ATOM 0 HG21 ILE A 13 7.749 -0.769 -0.615 1.00 4.11 H new ATOM 0 HG22 ILE A 13 8.776 -2.218 -0.738 1.00 4.11 H new ATOM 0 HG23 ILE A 13 9.493 -0.600 -0.927 1.00 4.11 H new ATOM 0 HD11 ILE A 13 8.879 2.076 -3.470 1.00 21.12 H new ATOM 0 HD12 ILE A 13 9.455 1.233 -2.013 1.00 21.12 H new ATOM 0 HD13 ILE A 13 10.037 0.733 -3.619 1.00 21.12 H new ATOM 212 N LEU A 14 10.977 -3.751 -2.707 1.00 72.32 N ATOM 213 CA LEU A 14 11.275 -5.108 -2.259 1.00 75.23 C ATOM 214 C LEU A 14 11.389 -5.146 -0.738 1.00 32.43 C ATOM 215 O LEU A 14 12.297 -4.543 -0.160 1.00 30.34 O ATOM 216 CB LEU A 14 12.569 -5.633 -2.908 1.00 54.00 C ATOM 217 CG LEU A 14 12.474 -5.975 -4.411 1.00 4.31 C ATOM 218 CD1 LEU A 14 12.240 -4.729 -5.263 1.00 44.03 C ATOM 219 CD2 LEU A 14 13.726 -6.716 -4.873 1.00 44.33 C ATOM 0 H LEU A 14 11.798 -3.159 -2.829 1.00 72.32 H new ATOM 0 HA LEU A 14 10.456 -5.757 -2.568 1.00 75.23 H new ATOM 0 HB2 LEU A 14 13.350 -4.885 -2.773 1.00 54.00 H new ATOM 0 HB3 LEU A 14 12.887 -6.526 -2.370 1.00 54.00 H new ATOM 0 HG LEU A 14 11.612 -6.628 -4.545 1.00 4.31 H new ATOM 0 HD11 LEU A 14 12.179 -5.013 -6.314 1.00 44.03 H new ATOM 0 HD12 LEU A 14 11.308 -4.252 -4.961 1.00 44.03 H new ATOM 0 HD13 LEU A 14 13.066 -4.032 -5.123 1.00 44.03 H new ATOM 0 HD21 LEU A 14 13.640 -6.948 -5.934 1.00 44.33 H new ATOM 0 HD22 LEU A 14 14.602 -6.088 -4.708 1.00 44.33 H new ATOM 0 HD23 LEU A 14 13.831 -7.641 -4.306 1.00 44.33 H new ATOM 231 N ILE A 15 10.462 -5.848 -0.094 1.00 15.14 N ATOM 232 CA ILE A 15 10.419 -5.932 1.361 1.00 62.15 C ATOM 233 C ILE A 15 9.823 -7.270 1.809 1.00 22.34 C ATOM 234 O ILE A 15 8.850 -7.746 1.223 1.00 12.23 O ATOM 235 CB ILE A 15 9.597 -4.755 1.959 1.00 71.34 C ATOM 236 CG1 ILE A 15 9.553 -4.839 3.495 1.00 41.14 C ATOM 237 CG2 ILE A 15 8.181 -4.727 1.374 1.00 62.12 C ATOM 238 CD1 ILE A 15 8.815 -3.689 4.155 1.00 12.14 C ATOM 0 H ILE A 15 9.723 -6.372 -0.563 1.00 15.14 H new ATOM 0 HA ILE A 15 11.442 -5.864 1.731 1.00 62.15 H new ATOM 0 HB ILE A 15 10.095 -3.824 1.687 1.00 71.34 H new ATOM 0 HG12 ILE A 15 9.077 -5.776 3.784 1.00 41.14 H new ATOM 0 HG13 ILE A 15 10.574 -4.869 3.876 1.00 41.14 H new ATOM 0 HG21 ILE A 15 7.625 -3.896 1.807 1.00 62.12 H new ATOM 0 HG22 ILE A 15 8.237 -4.602 0.293 1.00 62.12 H new ATOM 0 HG23 ILE A 15 7.673 -5.663 1.606 1.00 62.12 H new ATOM 0 HD11 ILE A 15 8.828 -3.821 5.237 1.00 12.14 H new ATOM 0 HD12 ILE A 15 9.303 -2.749 3.898 1.00 12.14 H new ATOM 0 HD13 ILE A 15 7.783 -3.670 3.804 1.00 12.14 H new ATOM 250 N GLN A 16 10.439 -7.883 2.824 1.00 12.35 N ATOM 251 CA GLN A 16 9.946 -9.136 3.414 1.00 13.10 C ATOM 252 C GLN A 16 9.810 -10.242 2.356 1.00 60.13 C ATOM 253 O GLN A 16 8.787 -10.932 2.289 1.00 14.22 O ATOM 254 CB GLN A 16 8.597 -8.909 4.126 1.00 15.25 C ATOM 255 CG GLN A 16 8.671 -7.974 5.331 1.00 4.41 C ATOM 256 CD GLN A 16 9.553 -8.509 6.449 1.00 74.23 C ATOM 257 OE1 GLN A 16 9.091 -9.250 7.319 1.00 44.12 O ATOM 258 NE2 GLN A 16 10.819 -8.115 6.452 1.00 53.11 N ATOM 0 H GLN A 16 11.290 -7.528 3.260 1.00 12.35 H new ATOM 0 HA GLN A 16 10.681 -9.463 4.149 1.00 13.10 H new ATOM 0 HB2 GLN A 16 7.885 -8.502 3.408 1.00 15.25 H new ATOM 0 HB3 GLN A 16 8.205 -9.872 4.452 1.00 15.25 H new ATOM 0 HG2 GLN A 16 9.052 -7.005 5.008 1.00 4.41 H new ATOM 0 HG3 GLN A 16 7.665 -7.809 5.717 1.00 4.41 H new ATOM 0 HE21 GLN A 16 11.164 -7.501 5.714 1.00 53.11 H new ATOM 0 HE22 GLN A 16 11.448 -8.426 7.192 1.00 53.11 H new ATOM 267 N ASN A 17 10.854 -10.402 1.535 1.00 54.31 N ATOM 268 CA ASN A 17 10.907 -11.456 0.508 1.00 70.24 C ATOM 269 C ASN A 17 9.899 -11.196 -0.612 1.00 25.22 C ATOM 270 O ASN A 17 9.660 -12.064 -1.455 1.00 4.33 O ATOM 271 CB ASN A 17 10.648 -12.852 1.116 1.00 31.44 C ATOM 272 CG ASN A 17 11.642 -13.234 2.199 1.00 34.13 C ATOM 273 OD1 ASN A 17 11.420 -12.966 3.381 1.00 75.23 O ATOM 274 ND2 ASN A 17 12.737 -13.870 1.808 1.00 50.42 N ATOM 0 H ASN A 17 11.684 -9.809 1.561 1.00 54.31 H new ATOM 0 HA ASN A 17 11.913 -11.435 0.090 1.00 70.24 H new ATOM 0 HB2 ASN A 17 9.641 -12.877 1.533 1.00 31.44 H new ATOM 0 HB3 ASN A 17 10.683 -13.598 0.322 1.00 31.44 H new ATOM 0 HD21 ASN A 17 13.434 -14.156 2.496 1.00 50.42 H new ATOM 0 HD22 ASN A 17 12.883 -14.073 0.819 1.00 50.42 H new ATOM 281 N ALA A 18 9.322 -9.999 -0.627 1.00 61.24 N ATOM 282 CA ALA A 18 8.294 -9.654 -1.601 1.00 41.42 C ATOM 283 C ALA A 18 8.735 -8.490 -2.483 1.00 35.42 C ATOM 284 O ALA A 18 9.489 -7.621 -2.047 1.00 24.40 O ATOM 285 CB ALA A 18 6.996 -9.317 -0.881 1.00 31.01 C ATOM 0 H ALA A 18 9.550 -9.250 0.027 1.00 61.24 H new ATOM 0 HA ALA A 18 8.131 -10.515 -2.249 1.00 41.42 H new ATOM 0 HB1 ALA A 18 6.230 -9.060 -1.613 1.00 31.01 H new ATOM 0 HB2 ALA A 18 6.668 -10.179 -0.300 1.00 31.01 H new ATOM 0 HB3 ALA A 18 7.159 -8.471 -0.214 1.00 31.01 H new ATOM 291 N GLU A 19 8.259 -8.487 -3.726 1.00 34.23 N ATOM 292 CA GLU A 19 8.589 -7.439 -4.691 1.00 74.34 C ATOM 293 C GLU A 19 7.323 -6.692 -5.106 1.00 63.24 C ATOM 294 O GLU A 19 6.435 -7.271 -5.730 1.00 30.41 O ATOM 295 CB GLU A 19 9.271 -8.063 -5.919 1.00 1.31 C ATOM 296 CG GLU A 19 9.820 -7.050 -6.919 1.00 42.53 C ATOM 297 CD GLU A 19 10.624 -7.713 -8.030 1.00 14.14 C ATOM 298 OE1 GLU A 19 10.024 -8.141 -9.038 1.00 11.04 O ATOM 299 OE2 GLU A 19 11.862 -7.824 -7.891 1.00 21.14 O ATOM 0 H GLU A 19 7.636 -9.207 -4.092 1.00 34.23 H new ATOM 0 HA GLU A 19 9.275 -6.728 -4.230 1.00 74.34 H new ATOM 0 HB2 GLU A 19 10.088 -8.700 -5.581 1.00 1.31 H new ATOM 0 HB3 GLU A 19 8.555 -8.707 -6.429 1.00 1.31 H new ATOM 0 HG2 GLU A 19 8.994 -6.490 -7.356 1.00 42.53 H new ATOM 0 HG3 GLU A 19 10.451 -6.331 -6.396 1.00 42.53 H new ATOM 306 N PHE A 20 7.237 -5.420 -4.733 1.00 50.22 N ATOM 307 CA PHE A 20 6.091 -4.572 -5.070 1.00 14.44 C ATOM 308 C PHE A 20 6.500 -3.495 -6.071 1.00 11.41 C ATOM 309 O PHE A 20 7.684 -3.338 -6.368 1.00 50.13 O ATOM 310 CB PHE A 20 5.526 -3.890 -3.811 1.00 63.10 C ATOM 311 CG PHE A 20 4.920 -4.830 -2.802 1.00 40.32 C ATOM 312 CD1 PHE A 20 5.701 -5.424 -1.823 1.00 63.23 C ATOM 313 CD2 PHE A 20 3.557 -5.103 -2.823 1.00 45.35 C ATOM 314 CE1 PHE A 20 5.141 -6.274 -0.891 1.00 64.03 C ATOM 315 CE2 PHE A 20 2.993 -5.950 -1.889 1.00 54.14 C ATOM 316 CZ PHE A 20 3.784 -6.537 -0.924 1.00 52.23 C ATOM 0 H PHE A 20 7.957 -4.945 -4.189 1.00 50.22 H new ATOM 0 HA PHE A 20 5.325 -5.211 -5.510 1.00 14.44 H new ATOM 0 HB2 PHE A 20 6.326 -3.328 -3.329 1.00 63.10 H new ATOM 0 HB3 PHE A 20 4.768 -3.168 -4.115 1.00 63.10 H new ATOM 0 HD1 PHE A 20 6.761 -5.219 -1.789 1.00 63.23 H new ATOM 0 HD2 PHE A 20 2.933 -4.648 -3.578 1.00 45.35 H new ATOM 0 HE1 PHE A 20 5.762 -6.733 -0.136 1.00 64.03 H new ATOM 0 HE2 PHE A 20 1.932 -6.153 -1.915 1.00 54.14 H new ATOM 0 HZ PHE A 20 3.344 -7.201 -0.195 1.00 52.23 H new ATOM 326 N GLU A 21 5.517 -2.759 -6.587 1.00 12.14 N ATOM 327 CA GLU A 21 5.780 -1.568 -7.393 1.00 44.20 C ATOM 328 C GLU A 21 4.746 -0.489 -7.069 1.00 34.14 C ATOM 329 O GLU A 21 3.602 -0.797 -6.717 1.00 25.04 O ATOM 330 CB GLU A 21 5.763 -1.878 -8.899 1.00 73.52 C ATOM 331 CG GLU A 21 4.371 -2.103 -9.489 1.00 10.43 C ATOM 332 CD GLU A 21 4.379 -2.172 -11.012 1.00 43.24 C ATOM 333 OE1 GLU A 21 5.016 -1.300 -11.647 1.00 21.25 O ATOM 334 OE2 GLU A 21 3.736 -3.081 -11.582 1.00 14.12 O ATOM 0 H GLU A 21 4.527 -2.968 -6.460 1.00 12.14 H new ATOM 0 HA GLU A 21 6.779 -1.210 -7.144 1.00 44.20 H new ATOM 0 HB2 GLU A 21 6.239 -1.055 -9.431 1.00 73.52 H new ATOM 0 HB3 GLU A 21 6.368 -2.767 -9.080 1.00 73.52 H new ATOM 0 HG2 GLU A 21 3.958 -3.029 -9.090 1.00 10.43 H new ATOM 0 HG3 GLU A 21 3.711 -1.296 -9.170 1.00 10.43 H new ATOM 341 N LEU A 22 5.163 0.768 -7.170 1.00 61.23 N ATOM 342 CA LEU A 22 4.280 1.904 -6.931 1.00 34.35 C ATOM 343 C LEU A 22 3.402 2.153 -8.159 1.00 3.31 C ATOM 344 O LEU A 22 3.870 2.691 -9.165 1.00 40.40 O ATOM 345 CB LEU A 22 5.116 3.152 -6.604 1.00 72.44 C ATOM 346 CG LEU A 22 4.319 4.439 -6.315 1.00 54.51 C ATOM 347 CD1 LEU A 22 3.429 4.268 -5.087 1.00 31.31 C ATOM 348 CD2 LEU A 22 5.263 5.627 -6.138 1.00 75.32 C ATOM 0 H LEU A 22 6.118 1.028 -7.419 1.00 61.23 H new ATOM 0 HA LEU A 22 3.632 1.684 -6.082 1.00 34.35 H new ATOM 0 HB2 LEU A 22 5.739 2.931 -5.737 1.00 72.44 H new ATOM 0 HB3 LEU A 22 5.789 3.344 -7.440 1.00 72.44 H new ATOM 0 HG LEU A 22 3.674 4.637 -7.171 1.00 54.51 H new ATOM 0 HD11 LEU A 22 2.878 5.191 -4.906 1.00 31.31 H new ATOM 0 HD12 LEU A 22 2.726 3.453 -5.258 1.00 31.31 H new ATOM 0 HD13 LEU A 22 4.047 4.038 -4.219 1.00 31.31 H new ATOM 0 HD21 LEU A 22 4.682 6.526 -5.935 1.00 75.32 H new ATOM 0 HD22 LEU A 22 5.938 5.435 -5.304 1.00 75.32 H new ATOM 0 HD23 LEU A 22 5.844 5.769 -7.049 1.00 75.32 H new ATOM 360 N VAL A 23 2.136 1.745 -8.079 1.00 50.42 N ATOM 361 CA VAL A 23 1.214 1.872 -9.209 1.00 60.32 C ATOM 362 C VAL A 23 0.385 3.155 -9.117 1.00 33.23 C ATOM 363 O VAL A 23 -0.260 3.553 -10.085 1.00 52.50 O ATOM 364 CB VAL A 23 0.261 0.652 -9.320 1.00 42.23 C ATOM 365 CG1 VAL A 23 1.054 -0.634 -9.542 1.00 53.13 C ATOM 366 CG2 VAL A 23 -0.628 0.533 -8.081 1.00 74.32 C ATOM 0 H VAL A 23 1.725 1.324 -7.246 1.00 50.42 H new ATOM 0 HA VAL A 23 1.834 1.913 -10.105 1.00 60.32 H new ATOM 0 HB VAL A 23 -0.386 0.809 -10.183 1.00 42.23 H new ATOM 0 HG11 VAL A 23 0.367 -1.477 -9.617 1.00 53.13 H new ATOM 0 HG12 VAL A 23 1.630 -0.552 -10.464 1.00 53.13 H new ATOM 0 HG13 VAL A 23 1.732 -0.792 -8.704 1.00 53.13 H new ATOM 0 HG21 VAL A 23 -1.285 -0.330 -8.186 1.00 74.32 H new ATOM 0 HG22 VAL A 23 -0.004 0.408 -7.196 1.00 74.32 H new ATOM 0 HG23 VAL A 23 -1.229 1.436 -7.976 1.00 74.32 H new ATOM 376 N HIS A 24 0.400 3.796 -7.950 1.00 20.31 N ATOM 377 CA HIS A 24 -0.342 5.043 -7.754 1.00 62.53 C ATOM 378 C HIS A 24 0.233 5.824 -6.581 1.00 34.40 C ATOM 379 O HIS A 24 0.463 5.265 -5.512 1.00 33.21 O ATOM 380 CB HIS A 24 -1.834 4.750 -7.502 1.00 32.33 C ATOM 381 CG HIS A 24 -2.716 5.972 -7.497 1.00 53.11 C ATOM 382 ND1 HIS A 24 -2.483 7.084 -6.707 1.00 40.50 N ATOM 383 CD2 HIS A 24 -3.836 6.254 -8.209 1.00 52.32 C ATOM 384 CE1 HIS A 24 -3.420 7.989 -6.937 1.00 20.23 C ATOM 385 NE2 HIS A 24 -4.250 7.511 -7.841 1.00 0.42 N ATOM 0 H HIS A 24 0.914 3.476 -7.129 1.00 20.31 H new ATOM 0 HA HIS A 24 -0.247 5.641 -8.660 1.00 62.53 H new ATOM 0 HB2 HIS A 24 -2.191 4.062 -8.268 1.00 32.33 H new ATOM 0 HB3 HIS A 24 -1.935 4.240 -6.544 1.00 32.33 H new ATOM 0 HD2 HIS A 24 -4.314 5.609 -8.932 1.00 52.32 H new ATOM 0 HE1 HIS A 24 -3.492 8.957 -6.463 1.00 20.23 H new ATOM 0 HE2 HIS A 24 -5.068 7.996 -8.209 1.00 0.42 H new ATOM 394 N ASN A 25 0.446 7.118 -6.782 1.00 30.10 N ATOM 395 CA ASN A 25 0.898 8.014 -5.718 1.00 72.32 C ATOM 396 C ASN A 25 0.206 9.359 -5.881 1.00 4.05 C ATOM 397 O ASN A 25 -0.123 9.751 -7.003 1.00 22.04 O ATOM 398 CB ASN A 25 2.427 8.186 -5.751 1.00 2.53 C ATOM 399 CG ASN A 25 2.963 9.033 -4.601 1.00 73.54 C ATOM 400 OD1 ASN A 25 2.362 9.102 -3.526 1.00 60.43 O ATOM 401 ND2 ASN A 25 4.103 9.676 -4.818 1.00 2.42 N ATOM 0 H ASN A 25 0.312 7.578 -7.683 1.00 30.10 H new ATOM 0 HA ASN A 25 0.639 7.581 -4.752 1.00 72.32 H new ATOM 0 HB2 ASN A 25 2.897 7.203 -5.719 1.00 2.53 H new ATOM 0 HB3 ASN A 25 2.714 8.646 -6.697 1.00 2.53 H new ATOM 0 HD21 ASN A 25 4.512 10.252 -4.082 1.00 2.42 H new ATOM 0 HD22 ASN A 25 4.571 9.594 -5.721 1.00 2.42 H new ATOM 408 N PHE A 26 -0.041 10.044 -4.776 1.00 53.40 N ATOM 409 CA PHE A 26 -0.771 11.307 -4.803 1.00 44.23 C ATOM 410 C PHE A 26 -0.317 12.184 -3.639 1.00 43.43 C ATOM 411 O PHE A 26 -0.334 11.744 -2.485 1.00 63.42 O ATOM 412 CB PHE A 26 -2.285 11.033 -4.728 1.00 70.20 C ATOM 413 CG PHE A 26 -3.125 12.062 -5.443 1.00 62.53 C ATOM 414 CD1 PHE A 26 -3.287 12.004 -6.822 1.00 21.43 C ATOM 415 CD2 PHE A 26 -3.744 13.085 -4.746 1.00 4.34 C ATOM 416 CE1 PHE A 26 -4.050 12.945 -7.484 1.00 3.21 C ATOM 417 CE2 PHE A 26 -4.507 14.030 -5.405 1.00 24.00 C ATOM 418 CZ PHE A 26 -4.660 13.961 -6.775 1.00 34.40 C ATOM 0 H PHE A 26 0.253 9.748 -3.845 1.00 53.40 H new ATOM 0 HA PHE A 26 -0.563 11.834 -5.735 1.00 44.23 H new ATOM 0 HB2 PHE A 26 -2.489 10.051 -5.155 1.00 70.20 H new ATOM 0 HB3 PHE A 26 -2.587 10.995 -3.681 1.00 70.20 H new ATOM 0 HD1 PHE A 26 -2.810 11.213 -7.382 1.00 21.43 H new ATOM 0 HD2 PHE A 26 -3.629 13.145 -3.674 1.00 4.34 H new ATOM 0 HE1 PHE A 26 -4.170 12.887 -8.556 1.00 3.21 H new ATOM 0 HE2 PHE A 26 -4.984 14.823 -4.848 1.00 24.00 H new ATOM 0 HZ PHE A 26 -5.255 14.700 -7.291 1.00 34.40 H new ATOM 428 N LYS A 27 0.125 13.404 -3.958 1.00 52.34 N ATOM 429 CA LYS A 27 0.610 14.356 -2.955 1.00 72.30 C ATOM 430 C LYS A 27 1.756 13.758 -2.145 1.00 5.35 C ATOM 431 O LYS A 27 1.906 14.041 -0.953 1.00 21.22 O ATOM 432 CB LYS A 27 -0.541 14.814 -2.034 1.00 3.31 C ATOM 433 CG LYS A 27 -1.321 16.015 -2.570 1.00 73.30 C ATOM 434 CD LYS A 27 -1.808 15.791 -3.996 1.00 4.21 C ATOM 435 CE LYS A 27 -2.519 17.014 -4.557 1.00 1.33 C ATOM 436 NZ LYS A 27 -1.638 18.213 -4.592 1.00 12.31 N ATOM 0 H LYS A 27 0.157 13.758 -4.914 1.00 52.34 H new ATOM 0 HA LYS A 27 0.993 15.233 -3.477 1.00 72.30 H new ATOM 0 HB2 LYS A 27 -1.229 13.982 -1.888 1.00 3.31 H new ATOM 0 HB3 LYS A 27 -0.132 15.066 -1.055 1.00 3.31 H new ATOM 0 HG2 LYS A 27 -2.175 16.210 -1.922 1.00 73.30 H new ATOM 0 HG3 LYS A 27 -0.688 16.902 -2.539 1.00 73.30 H new ATOM 0 HD2 LYS A 27 -0.960 15.541 -4.633 1.00 4.21 H new ATOM 0 HD3 LYS A 27 -2.485 14.937 -4.017 1.00 4.21 H new ATOM 0 HE2 LYS A 27 -2.872 16.796 -5.565 1.00 1.33 H new ATOM 0 HE3 LYS A 27 -3.399 17.230 -3.951 1.00 1.33 H new ATOM 0 HZ1 LYS A 27 -2.073 18.946 -5.188 1.00 12.31 H new ATOM 0 HZ2 LYS A 27 -1.514 18.581 -3.627 1.00 12.31 H new ATOM 0 HZ3 LYS A 27 -0.711 17.952 -4.985 1.00 12.31 H new ATOM 450 N ASP A 28 2.570 12.940 -2.815 1.00 15.23 N ATOM 451 CA ASP A 28 3.727 12.290 -2.196 1.00 52.53 C ATOM 452 C ASP A 28 3.320 11.510 -0.952 1.00 34.15 C ATOM 453 O ASP A 28 4.100 11.381 -0.002 1.00 30.34 O ATOM 454 CB ASP A 28 4.823 13.317 -1.856 1.00 42.03 C ATOM 455 CG ASP A 28 5.574 13.807 -3.087 1.00 12.21 C ATOM 456 OD1 ASP A 28 6.437 13.061 -3.597 1.00 73.43 O ATOM 457 OD2 ASP A 28 5.306 14.938 -3.552 1.00 24.51 O ATOM 0 H ASP A 28 2.446 12.710 -3.801 1.00 15.23 H new ATOM 0 HA ASP A 28 4.134 11.584 -2.920 1.00 52.53 H new ATOM 0 HB2 ASP A 28 4.371 14.169 -1.348 1.00 42.03 H new ATOM 0 HB3 ASP A 28 5.531 12.869 -1.158 1.00 42.03 H new ATOM 462 N GLY A 29 2.097 10.984 -0.969 1.00 52.41 N ATOM 463 CA GLY A 29 1.626 10.135 0.111 1.00 53.32 C ATOM 464 C GLY A 29 2.524 8.929 0.301 1.00 65.12 C ATOM 465 O GLY A 29 2.637 8.391 1.407 1.00 64.00 O ATOM 0 H GLY A 29 1.420 11.133 -1.718 1.00 52.41 H new ATOM 0 HA2 GLY A 29 1.586 10.710 1.036 1.00 53.32 H new ATOM 0 HA3 GLY A 29 0.610 9.803 -0.102 1.00 53.32 H new ATOM 469 N PHE A 30 3.163 8.507 -0.787 1.00 71.51 N ATOM 470 CA PHE A 30 4.123 7.412 -0.745 1.00 70.34 C ATOM 471 C PHE A 30 5.340 7.806 0.089 1.00 20.43 C ATOM 472 O PHE A 30 6.187 8.585 -0.354 1.00 53.42 O ATOM 473 CB PHE A 30 4.555 7.011 -2.166 1.00 1.12 C ATOM 474 CG PHE A 30 5.641 5.968 -2.185 1.00 11.31 C ATOM 475 CD1 PHE A 30 5.370 4.657 -1.825 1.00 20.21 C ATOM 476 CD2 PHE A 30 6.939 6.306 -2.548 1.00 1.10 C ATOM 477 CE1 PHE A 30 6.369 3.705 -1.827 1.00 14.13 C ATOM 478 CE2 PHE A 30 7.941 5.358 -2.550 1.00 53.13 C ATOM 479 CZ PHE A 30 7.656 4.056 -2.187 1.00 20.44 C ATOM 0 H PHE A 30 3.031 8.911 -1.714 1.00 71.51 H new ATOM 0 HA PHE A 30 3.642 6.552 -0.278 1.00 70.34 H new ATOM 0 HB2 PHE A 30 3.689 6.634 -2.709 1.00 1.12 H new ATOM 0 HB3 PHE A 30 4.902 7.897 -2.697 1.00 1.12 H new ATOM 0 HD1 PHE A 30 4.366 4.378 -1.540 1.00 20.21 H new ATOM 0 HD2 PHE A 30 7.166 7.323 -2.832 1.00 1.10 H new ATOM 0 HE1 PHE A 30 6.145 2.686 -1.547 1.00 14.13 H new ATOM 0 HE2 PHE A 30 8.946 5.633 -2.835 1.00 53.13 H new ATOM 0 HZ PHE A 30 8.439 3.312 -2.185 1.00 20.44 H new ATOM 489 N ASN A 31 5.406 7.281 1.303 1.00 63.43 N ATOM 490 CA ASN A 31 6.540 7.511 2.190 1.00 61.24 C ATOM 491 C ASN A 31 7.065 6.160 2.677 1.00 71.20 C ATOM 492 O ASN A 31 6.495 5.557 3.589 1.00 11.23 O ATOM 493 CB ASN A 31 6.117 8.408 3.368 1.00 22.31 C ATOM 494 CG ASN A 31 7.294 8.898 4.195 1.00 5.01 C ATOM 495 OD1 ASN A 31 8.410 9.024 3.692 1.00 51.43 O ATOM 496 ND2 ASN A 31 7.049 9.202 5.464 1.00 41.12 N ATOM 0 H ASN A 31 4.680 6.686 1.701 1.00 63.43 H new ATOM 0 HA ASN A 31 7.338 8.027 1.656 1.00 61.24 H new ATOM 0 HB2 ASN A 31 5.567 9.267 2.984 1.00 22.31 H new ATOM 0 HB3 ASN A 31 5.433 7.854 4.012 1.00 22.31 H new ATOM 0 HD21 ASN A 31 7.800 9.554 6.058 1.00 41.12 H new ATOM 0 HD22 ASN A 31 6.110 9.084 5.845 1.00 41.12 H new ATOM 503 N GLU A 32 8.134 5.683 2.035 1.00 71.33 N ATOM 504 CA GLU A 32 8.659 4.330 2.259 1.00 2.21 C ATOM 505 C GLU A 32 8.872 4.032 3.744 1.00 51.12 C ATOM 506 O GLU A 32 8.520 2.949 4.215 1.00 33.24 O ATOM 507 CB GLU A 32 9.972 4.133 1.488 1.00 52.22 C ATOM 508 CG GLU A 32 10.612 2.761 1.689 1.00 23.23 C ATOM 509 CD GLU A 32 11.923 2.606 0.932 1.00 21.01 C ATOM 510 OE1 GLU A 32 12.892 3.324 1.257 1.00 34.22 O ATOM 511 OE2 GLU A 32 11.995 1.754 0.021 1.00 5.32 O ATOM 0 H GLU A 32 8.660 6.221 1.346 1.00 71.33 H new ATOM 0 HA GLU A 32 7.912 3.628 1.888 1.00 2.21 H new ATOM 0 HB2 GLU A 32 9.783 4.282 0.425 1.00 52.22 H new ATOM 0 HB3 GLU A 32 10.681 4.902 1.796 1.00 52.22 H new ATOM 0 HG2 GLU A 32 10.790 2.600 2.752 1.00 23.23 H new ATOM 0 HG3 GLU A 32 9.916 1.989 1.362 1.00 23.23 H new ATOM 518 N GLU A 33 9.438 4.992 4.474 1.00 41.12 N ATOM 519 CA GLU A 33 9.701 4.812 5.902 1.00 21.24 C ATOM 520 C GLU A 33 8.407 4.474 6.649 1.00 24.31 C ATOM 521 O GLU A 33 8.370 3.550 7.459 1.00 71.03 O ATOM 522 CB GLU A 33 10.354 6.068 6.505 1.00 63.23 C ATOM 523 CG GLU A 33 9.533 7.339 6.331 1.00 30.11 C ATOM 524 CD GLU A 33 10.142 8.539 7.031 1.00 24.33 C ATOM 525 OE1 GLU A 33 11.039 9.183 6.452 1.00 50.43 O ATOM 526 OE2 GLU A 33 9.722 8.853 8.167 1.00 64.24 O ATOM 0 H GLU A 33 9.722 5.899 4.103 1.00 41.12 H new ATOM 0 HA GLU A 33 10.396 3.980 6.014 1.00 21.24 H new ATOM 0 HB2 GLU A 33 10.525 5.901 7.569 1.00 63.23 H new ATOM 0 HB3 GLU A 33 11.331 6.213 6.044 1.00 63.23 H new ATOM 0 HG2 GLU A 33 9.433 7.558 5.268 1.00 30.11 H new ATOM 0 HG3 GLU A 33 8.528 7.171 6.718 1.00 30.11 H new ATOM 533 N ALA A 34 7.338 5.206 6.339 1.00 1.22 N ATOM 534 CA ALA A 34 6.041 4.981 6.972 1.00 61.44 C ATOM 535 C ALA A 34 5.449 3.654 6.507 1.00 31.45 C ATOM 536 O ALA A 34 4.818 2.938 7.284 1.00 74.52 O ATOM 537 CB ALA A 34 5.091 6.132 6.660 1.00 31.50 C ATOM 0 H ALA A 34 7.345 5.960 5.653 1.00 1.22 H new ATOM 0 HA ALA A 34 6.182 4.936 8.052 1.00 61.44 H new ATOM 0 HB1 ALA A 34 4.129 5.950 7.139 1.00 31.50 H new ATOM 0 HB2 ALA A 34 5.513 7.064 7.036 1.00 31.50 H new ATOM 0 HB3 ALA A 34 4.951 6.206 5.582 1.00 31.50 H new ATOM 543 N PHE A 35 5.671 3.338 5.233 1.00 53.21 N ATOM 544 CA PHE A 35 5.195 2.088 4.645 1.00 42.50 C ATOM 545 C PHE A 35 5.770 0.890 5.398 1.00 34.45 C ATOM 546 O PHE A 35 5.038 0.106 5.999 1.00 21.21 O ATOM 547 CB PHE A 35 5.588 2.025 3.155 1.00 13.21 C ATOM 548 CG PHE A 35 5.324 0.689 2.495 1.00 52.24 C ATOM 549 CD1 PHE A 35 4.060 0.364 2.026 1.00 60.55 C ATOM 550 CD2 PHE A 35 6.347 -0.240 2.345 1.00 61.03 C ATOM 551 CE1 PHE A 35 3.822 -0.857 1.424 1.00 10.01 C ATOM 552 CE2 PHE A 35 6.111 -1.462 1.743 1.00 61.44 C ATOM 553 CZ PHE A 35 4.847 -1.771 1.283 1.00 15.54 C ATOM 0 H PHE A 35 6.182 3.936 4.584 1.00 53.21 H new ATOM 0 HA PHE A 35 4.109 2.054 4.725 1.00 42.50 H new ATOM 0 HB2 PHE A 35 5.041 2.798 2.615 1.00 13.21 H new ATOM 0 HB3 PHE A 35 6.648 2.260 3.061 1.00 13.21 H new ATOM 0 HD1 PHE A 35 3.252 1.073 2.132 1.00 60.55 H new ATOM 0 HD2 PHE A 35 7.338 -0.004 2.703 1.00 61.03 H new ATOM 0 HE1 PHE A 35 2.833 -1.097 1.063 1.00 10.01 H new ATOM 0 HE2 PHE A 35 6.915 -2.174 1.633 1.00 61.44 H new ATOM 0 HZ PHE A 35 4.660 -2.726 0.814 1.00 15.54 H new ATOM 563 N LYS A 36 7.092 0.778 5.384 1.00 42.54 N ATOM 564 CA LYS A 36 7.782 -0.353 5.995 1.00 61.13 C ATOM 565 C LYS A 36 7.551 -0.388 7.503 1.00 71.31 C ATOM 566 O LYS A 36 7.539 -1.459 8.113 1.00 74.30 O ATOM 567 CB LYS A 36 9.281 -0.288 5.669 1.00 52.41 C ATOM 568 CG LYS A 36 9.979 0.962 6.199 1.00 60.32 C ATOM 569 CD LYS A 36 11.345 1.172 5.549 1.00 41.04 C ATOM 570 CE LYS A 36 12.289 -0.002 5.789 1.00 22.13 C ATOM 571 NZ LYS A 36 12.545 -0.227 7.236 1.00 11.45 N ATOM 0 H LYS A 36 7.713 1.462 4.953 1.00 42.54 H new ATOM 0 HA LYS A 36 7.374 -1.275 5.581 1.00 61.13 H new ATOM 0 HB2 LYS A 36 9.771 -1.169 6.084 1.00 52.41 H new ATOM 0 HB3 LYS A 36 9.409 -0.332 4.587 1.00 52.41 H new ATOM 0 HG2 LYS A 36 9.351 1.834 6.014 1.00 60.32 H new ATOM 0 HG3 LYS A 36 10.100 0.880 7.279 1.00 60.32 H new ATOM 0 HD2 LYS A 36 11.216 1.317 4.477 1.00 41.04 H new ATOM 0 HD3 LYS A 36 11.795 2.083 5.942 1.00 41.04 H new ATOM 0 HE2 LYS A 36 11.862 -0.905 5.352 1.00 22.13 H new ATOM 0 HE3 LYS A 36 13.234 0.183 5.279 1.00 22.13 H new ATOM 0 HZ1 LYS A 36 13.292 -0.941 7.349 1.00 11.45 H new ATOM 0 HZ2 LYS A 36 12.848 0.664 7.678 1.00 11.45 H new ATOM 0 HZ3 LYS A 36 11.674 -0.562 7.695 1.00 11.45 H new ATOM 585 N ALA A 37 7.343 0.785 8.096 1.00 22.23 N ATOM 586 CA ALA A 37 7.098 0.888 9.530 1.00 34.23 C ATOM 587 C ALA A 37 5.712 0.364 9.896 1.00 35.52 C ATOM 588 O ALA A 37 5.499 -0.117 11.007 1.00 33.14 O ATOM 589 CB ALA A 37 7.256 2.332 9.995 1.00 60.10 C ATOM 0 H ALA A 37 7.339 1.678 7.604 1.00 22.23 H new ATOM 0 HA ALA A 37 7.837 0.269 10.039 1.00 34.23 H new ATOM 0 HB1 ALA A 37 7.070 2.391 11.067 1.00 60.10 H new ATOM 0 HB2 ALA A 37 8.269 2.674 9.783 1.00 60.10 H new ATOM 0 HB3 ALA A 37 6.542 2.964 9.467 1.00 60.10 H new ATOM 595 N ARG A 38 4.769 0.461 8.959 1.00 23.12 N ATOM 596 CA ARG A 38 3.394 0.027 9.205 1.00 72.34 C ATOM 597 C ARG A 38 3.069 -1.259 8.444 1.00 35.31 C ATOM 598 O ARG A 38 1.957 -1.783 8.547 1.00 54.23 O ATOM 599 CB ARG A 38 2.409 1.144 8.820 1.00 23.30 C ATOM 600 CG ARG A 38 2.574 2.438 9.624 1.00 72.41 C ATOM 601 CD ARG A 38 2.087 2.313 11.071 1.00 32.01 C ATOM 602 NE ARG A 38 2.876 1.359 11.869 1.00 52.41 N ATOM 603 CZ ARG A 38 3.368 1.611 13.085 1.00 63.34 C ATOM 604 NH1 ARG A 38 3.174 2.792 13.661 1.00 33.42 N ATOM 605 NH2 ARG A 38 4.047 0.671 13.725 1.00 75.14 N ATOM 0 H ARG A 38 4.932 0.836 8.024 1.00 23.12 H new ATOM 0 HA ARG A 38 3.293 -0.184 10.269 1.00 72.34 H new ATOM 0 HB2 ARG A 38 2.531 1.371 7.761 1.00 23.30 H new ATOM 0 HB3 ARG A 38 1.392 0.776 8.952 1.00 23.30 H new ATOM 0 HG2 ARG A 38 3.625 2.727 9.624 1.00 72.41 H new ATOM 0 HG3 ARG A 38 2.024 3.238 9.130 1.00 72.41 H new ATOM 0 HD2 ARG A 38 2.125 3.293 11.546 1.00 32.01 H new ATOM 0 HD3 ARG A 38 1.043 2.000 11.070 1.00 32.01 H new ATOM 0 HE ARG A 38 3.060 0.441 11.464 1.00 52.41 H new ATOM 0 HH11 ARG A 38 2.645 3.516 13.174 1.00 33.42 H new ATOM 0 HH12 ARG A 38 3.554 2.975 14.590 1.00 33.42 H new ATOM 0 HH21 ARG A 38 4.192 -0.240 13.289 1.00 75.14 H new ATOM 0 HH22 ARG A 38 4.425 0.858 14.654 1.00 75.14 H new ATOM 619 N TYR A 39 4.036 -1.766 7.683 1.00 50.20 N ATOM 620 CA TYR A 39 3.849 -3.010 6.941 1.00 72.23 C ATOM 621 C TYR A 39 3.880 -4.202 7.894 1.00 51.21 C ATOM 622 O TYR A 39 4.723 -4.265 8.794 1.00 12.11 O ATOM 623 CB TYR A 39 4.930 -3.169 5.859 1.00 5.55 C ATOM 624 CG TYR A 39 4.702 -4.354 4.935 1.00 54.31 C ATOM 625 CD1 TYR A 39 3.787 -4.276 3.890 1.00 10.52 C ATOM 626 CD2 TYR A 39 5.395 -5.551 5.108 1.00 14.03 C ATOM 627 CE1 TYR A 39 3.572 -5.348 3.045 1.00 10.33 C ATOM 628 CE2 TYR A 39 5.183 -6.628 4.266 1.00 15.14 C ATOM 629 CZ TYR A 39 4.270 -6.521 3.235 1.00 53.31 C ATOM 630 OH TYR A 39 4.056 -7.590 2.392 1.00 31.15 O ATOM 0 H TYR A 39 4.954 -1.337 7.564 1.00 50.20 H new ATOM 0 HA TYR A 39 2.876 -2.973 6.451 1.00 72.23 H new ATOM 0 HB2 TYR A 39 4.971 -2.258 5.263 1.00 5.55 H new ATOM 0 HB3 TYR A 39 5.901 -3.278 6.342 1.00 5.55 H new ATOM 0 HD1 TYR A 39 3.235 -3.361 3.736 1.00 10.52 H new ATOM 0 HD2 TYR A 39 6.110 -5.639 5.913 1.00 14.03 H new ATOM 0 HE1 TYR A 39 2.859 -5.267 2.238 1.00 10.33 H new ATOM 0 HE2 TYR A 39 5.729 -7.548 4.414 1.00 15.14 H new ATOM 0 HH TYR A 39 4.269 -7.329 1.472 1.00 31.15 H new ATOM 640 N SER A 40 2.968 -5.145 7.688 1.00 51.13 N ATOM 641 CA SER A 40 2.847 -6.304 8.562 1.00 42.20 C ATOM 642 C SER A 40 2.519 -7.553 7.744 1.00 31.25 C ATOM 643 O SER A 40 2.025 -7.457 6.617 1.00 50.20 O ATOM 644 CB SER A 40 1.760 -6.051 9.616 1.00 52.00 C ATOM 645 OG SER A 40 1.671 -7.127 10.532 1.00 44.42 O ATOM 0 H SER A 40 2.298 -5.128 6.919 1.00 51.13 H new ATOM 0 HA SER A 40 3.798 -6.466 9.070 1.00 42.20 H new ATOM 0 HB2 SER A 40 1.980 -5.129 10.155 1.00 52.00 H new ATOM 0 HB3 SER A 40 0.798 -5.910 9.123 1.00 52.00 H new ATOM 0 HG SER A 40 0.972 -6.938 11.192 1.00 44.42 H new ATOM 651 N ASP A 41 2.782 -8.719 8.332 1.00 61.53 N ATOM 652 CA ASP A 41 2.586 -10.005 7.656 1.00 22.02 C ATOM 653 C ASP A 41 1.115 -10.230 7.321 1.00 75.14 C ATOM 654 O ASP A 41 0.786 -10.891 6.335 1.00 52.15 O ATOM 655 CB ASP A 41 3.116 -11.155 8.525 1.00 41.21 C ATOM 656 CG ASP A 41 4.629 -11.127 8.675 1.00 22.34 C ATOM 657 OD1 ASP A 41 5.145 -10.276 9.432 1.00 64.43 O ATOM 658 OD2 ASP A 41 5.320 -11.937 8.018 1.00 21.31 O ATOM 0 H ASP A 41 3.135 -8.801 9.285 1.00 61.53 H new ATOM 0 HA ASP A 41 3.148 -9.983 6.722 1.00 22.02 H new ATOM 0 HB2 ASP A 41 2.656 -11.101 9.512 1.00 41.21 H new ATOM 0 HB3 ASP A 41 2.816 -12.106 8.085 1.00 41.21 H new ATOM 663 N ILE A 42 0.234 -9.666 8.136 1.00 0.15 N ATOM 664 CA ILE A 42 -1.206 -9.759 7.901 1.00 53.51 C ATOM 665 C ILE A 42 -1.573 -9.151 6.542 1.00 54.33 C ATOM 666 O ILE A 42 -2.533 -9.571 5.897 1.00 64.20 O ATOM 667 CB ILE A 42 -2.001 -9.049 9.033 1.00 14.11 C ATOM 668 CG1 ILE A 42 -3.517 -9.267 8.871 1.00 13.21 C ATOM 669 CG2 ILE A 42 -1.672 -7.556 9.081 1.00 14.53 C ATOM 670 CD1 ILE A 42 -3.949 -10.712 9.019 1.00 15.33 C ATOM 0 H ILE A 42 0.490 -9.137 8.970 1.00 0.15 H new ATOM 0 HA ILE A 42 -1.476 -10.815 7.898 1.00 53.51 H new ATOM 0 HB ILE A 42 -1.696 -9.495 9.980 1.00 14.11 H new ATOM 0 HG12 ILE A 42 -4.042 -8.663 9.611 1.00 13.21 H new ATOM 0 HG13 ILE A 42 -3.823 -8.905 7.889 1.00 13.21 H new ATOM 0 HG21 ILE A 42 -2.241 -7.083 9.881 1.00 14.53 H new ATOM 0 HG22 ILE A 42 -0.606 -7.424 9.267 1.00 14.53 H new ATOM 0 HG23 ILE A 42 -1.934 -7.095 8.129 1.00 14.53 H new ATOM 0 HD11 ILE A 42 -5.029 -10.784 8.892 1.00 15.33 H new ATOM 0 HD12 ILE A 42 -3.453 -11.319 8.262 1.00 15.33 H new ATOM 0 HD13 ILE A 42 -3.676 -11.074 10.010 1.00 15.33 H new ATOM 682 N LEU A 43 -0.775 -8.182 6.104 1.00 52.03 N ATOM 683 CA LEU A 43 -1.008 -7.486 4.840 1.00 72.43 C ATOM 684 C LEU A 43 -0.359 -8.238 3.679 1.00 52.40 C ATOM 685 O LEU A 43 -0.749 -8.078 2.522 1.00 35.41 O ATOM 686 CB LEU A 43 -0.442 -6.064 4.930 1.00 15.15 C ATOM 687 CG LEU A 43 -0.998 -5.212 6.082 1.00 43.03 C ATOM 688 CD1 LEU A 43 -0.262 -3.879 6.169 1.00 62.34 C ATOM 689 CD2 LEU A 43 -2.503 -4.992 5.916 1.00 44.11 C ATOM 0 H LEU A 43 0.048 -7.857 6.611 1.00 52.03 H new ATOM 0 HA LEU A 43 -2.081 -7.440 4.656 1.00 72.43 H new ATOM 0 HB2 LEU A 43 0.641 -6.127 5.035 1.00 15.15 H new ATOM 0 HB3 LEU A 43 -0.642 -5.550 3.990 1.00 15.15 H new ATOM 0 HG LEU A 43 -0.836 -5.752 7.015 1.00 43.03 H new ATOM 0 HD11 LEU A 43 -0.671 -3.291 6.991 1.00 62.34 H new ATOM 0 HD12 LEU A 43 0.799 -4.060 6.344 1.00 62.34 H new ATOM 0 HD13 LEU A 43 -0.387 -3.333 5.234 1.00 62.34 H new ATOM 0 HD21 LEU A 43 -2.876 -4.387 6.742 1.00 44.11 H new ATOM 0 HD22 LEU A 43 -2.694 -4.477 4.974 1.00 44.11 H new ATOM 0 HD23 LEU A 43 -3.013 -5.955 5.913 1.00 44.11 H new ATOM 701 N ASN A 44 0.620 -9.075 4.011 1.00 63.11 N ATOM 702 CA ASN A 44 1.383 -9.836 3.016 1.00 62.34 C ATOM 703 C ASN A 44 0.463 -10.765 2.218 1.00 21.32 C ATOM 704 O ASN A 44 0.724 -11.069 1.057 1.00 42.15 O ATOM 705 CB ASN A 44 2.491 -10.641 3.729 1.00 43.42 C ATOM 706 CG ASN A 44 3.448 -11.370 2.790 1.00 4.34 C ATOM 707 OD1 ASN A 44 3.077 -11.821 1.705 1.00 74.11 O ATOM 708 ND2 ASN A 44 4.701 -11.490 3.202 1.00 73.11 N ATOM 0 H ASN A 44 0.909 -9.247 4.974 1.00 63.11 H new ATOM 0 HA ASN A 44 1.842 -9.143 2.311 1.00 62.34 H new ATOM 0 HB2 ASN A 44 3.067 -9.963 4.359 1.00 43.42 H new ATOM 0 HB3 ASN A 44 2.024 -11.371 4.390 1.00 43.42 H new ATOM 0 HD21 ASN A 44 5.387 -11.966 2.616 1.00 73.11 H new ATOM 0 HD22 ASN A 44 4.980 -11.107 4.105 1.00 73.11 H new ATOM 715 N LYS A 45 -0.635 -11.178 2.839 1.00 1.43 N ATOM 716 CA LYS A 45 -1.559 -12.139 2.234 1.00 72.34 C ATOM 717 C LYS A 45 -2.366 -11.518 1.086 1.00 43.44 C ATOM 718 O LYS A 45 -2.956 -12.233 0.276 1.00 61.02 O ATOM 719 CB LYS A 45 -2.518 -12.689 3.306 1.00 60.32 C ATOM 720 CG LYS A 45 -3.427 -13.815 2.817 1.00 64.12 C ATOM 721 CD LYS A 45 -4.424 -14.283 3.883 1.00 53.21 C ATOM 722 CE LYS A 45 -3.742 -14.899 5.109 1.00 51.34 C ATOM 723 NZ LYS A 45 -3.159 -13.877 6.027 1.00 71.40 N ATOM 0 H LYS A 45 -0.912 -10.862 3.768 1.00 1.43 H new ATOM 0 HA LYS A 45 -0.962 -12.951 1.817 1.00 72.34 H new ATOM 0 HB2 LYS A 45 -1.931 -13.052 4.150 1.00 60.32 H new ATOM 0 HB3 LYS A 45 -3.138 -11.872 3.676 1.00 60.32 H new ATOM 0 HG2 LYS A 45 -3.975 -13.477 1.938 1.00 64.12 H new ATOM 0 HG3 LYS A 45 -2.814 -14.660 2.504 1.00 64.12 H new ATOM 0 HD2 LYS A 45 -5.033 -13.437 4.200 1.00 53.21 H new ATOM 0 HD3 LYS A 45 -5.101 -15.016 3.443 1.00 53.21 H new ATOM 0 HE2 LYS A 45 -4.467 -15.500 5.657 1.00 51.34 H new ATOM 0 HE3 LYS A 45 -2.953 -15.574 4.778 1.00 51.34 H new ATOM 0 HZ1 LYS A 45 -2.123 -13.875 5.932 1.00 71.40 H new ATOM 0 HZ2 LYS A 45 -3.531 -12.937 5.781 1.00 71.40 H new ATOM 0 HZ3 LYS A 45 -3.416 -14.105 7.009 1.00 71.40 H new ATOM 737 N TYR A 46 -2.388 -10.190 1.014 1.00 63.10 N ATOM 738 CA TYR A 46 -3.251 -9.490 0.058 1.00 44.11 C ATOM 739 C TYR A 46 -2.594 -9.308 -1.317 1.00 32.15 C ATOM 740 O TYR A 46 -3.277 -9.351 -2.339 1.00 22.41 O ATOM 741 CB TYR A 46 -3.662 -8.130 0.627 1.00 23.02 C ATOM 742 CG TYR A 46 -4.622 -8.218 1.800 1.00 2.54 C ATOM 743 CD1 TYR A 46 -5.989 -8.366 1.593 1.00 20.01 C ATOM 744 CD2 TYR A 46 -4.165 -8.140 3.111 1.00 41.02 C ATOM 745 CE1 TYR A 46 -6.869 -8.430 2.653 1.00 3.24 C ATOM 746 CE2 TYR A 46 -5.042 -8.207 4.178 1.00 53.30 C ATOM 747 CZ TYR A 46 -6.394 -8.350 3.942 1.00 31.53 C ATOM 748 OH TYR A 46 -7.276 -8.409 5.001 1.00 74.13 O ATOM 0 H TYR A 46 -1.823 -9.577 1.601 1.00 63.10 H new ATOM 0 HA TYR A 46 -4.132 -10.114 -0.093 1.00 44.11 H new ATOM 0 HB2 TYR A 46 -2.767 -7.594 0.942 1.00 23.02 H new ATOM 0 HB3 TYR A 46 -4.124 -7.541 -0.165 1.00 23.02 H new ATOM 0 HD1 TYR A 46 -6.368 -8.432 0.584 1.00 20.01 H new ATOM 0 HD2 TYR A 46 -3.108 -8.025 3.299 1.00 41.02 H new ATOM 0 HE1 TYR A 46 -7.928 -8.543 2.472 1.00 3.24 H new ATOM 0 HE2 TYR A 46 -4.671 -8.148 5.190 1.00 53.30 H new ATOM 0 HH TYR A 46 -6.781 -8.340 5.844 1.00 74.13 H new ATOM 758 N ASP A 47 -1.274 -9.096 -1.326 1.00 44.11 N ATOM 759 CA ASP A 47 -0.503 -8.813 -2.562 1.00 73.14 C ATOM 760 C ASP A 47 -0.771 -7.397 -3.090 1.00 41.13 C ATOM 761 O ASP A 47 -0.196 -6.983 -4.103 1.00 73.34 O ATOM 762 CB ASP A 47 -0.790 -9.846 -3.676 1.00 31.25 C ATOM 763 CG ASP A 47 -0.125 -11.191 -3.430 1.00 44.24 C ATOM 764 OD1 ASP A 47 -0.595 -11.949 -2.557 1.00 73.33 O ATOM 765 OD2 ASP A 47 0.897 -11.491 -4.085 1.00 51.30 O ATOM 0 H ASP A 47 -0.701 -9.114 -0.482 1.00 44.11 H new ATOM 0 HA ASP A 47 0.548 -8.889 -2.285 1.00 73.14 H new ATOM 0 HB2 ASP A 47 -1.867 -9.990 -3.760 1.00 31.25 H new ATOM 0 HB3 ASP A 47 -0.446 -9.447 -4.630 1.00 31.25 H new ATOM 770 N TYR A 48 -1.620 -6.652 -2.385 1.00 14.41 N ATOM 771 CA TYR A 48 -1.916 -5.259 -2.715 1.00 74.25 C ATOM 772 C TYR A 48 -1.953 -4.435 -1.436 1.00 72.25 C ATOM 773 O TYR A 48 -2.726 -4.736 -0.525 1.00 52.10 O ATOM 774 CB TYR A 48 -3.265 -5.135 -3.441 1.00 12.41 C ATOM 775 CG TYR A 48 -3.257 -5.639 -4.873 1.00 2.00 C ATOM 776 CD1 TYR A 48 -3.450 -6.985 -5.163 1.00 40.35 C ATOM 777 CD2 TYR A 48 -3.057 -4.761 -5.931 1.00 61.00 C ATOM 778 CE1 TYR A 48 -3.443 -7.438 -6.467 1.00 5.54 C ATOM 779 CE2 TYR A 48 -3.051 -5.208 -7.237 1.00 2.10 C ATOM 780 CZ TYR A 48 -3.243 -6.546 -7.501 1.00 64.24 C ATOM 781 OH TYR A 48 -3.233 -6.992 -8.800 1.00 24.21 O ATOM 0 H TYR A 48 -2.123 -6.998 -1.568 1.00 14.41 H new ATOM 0 HA TYR A 48 -1.134 -4.889 -3.379 1.00 74.25 H new ATOM 0 HB2 TYR A 48 -4.018 -5.687 -2.879 1.00 12.41 H new ATOM 0 HB3 TYR A 48 -3.570 -4.088 -3.439 1.00 12.41 H new ATOM 0 HD1 TYR A 48 -3.608 -7.686 -4.357 1.00 40.35 H new ATOM 0 HD2 TYR A 48 -2.904 -3.711 -5.728 1.00 61.00 H new ATOM 0 HE1 TYR A 48 -3.593 -8.487 -6.677 1.00 5.54 H new ATOM 0 HE2 TYR A 48 -2.896 -4.512 -8.048 1.00 2.10 H new ATOM 0 HH TYR A 48 -3.555 -6.281 -9.392 1.00 24.21 H new ATOM 791 N ILE A 49 -1.116 -3.406 -1.366 1.00 2.14 N ATOM 792 CA ILE A 49 -1.008 -2.580 -0.169 1.00 55.15 C ATOM 793 C ILE A 49 -1.338 -1.128 -0.493 1.00 3.13 C ATOM 794 O ILE A 49 -0.680 -0.505 -1.329 1.00 34.34 O ATOM 795 CB ILE A 49 0.416 -2.646 0.442 1.00 51.24 C ATOM 796 CG1 ILE A 49 0.846 -4.105 0.674 1.00 62.11 C ATOM 797 CG2 ILE A 49 0.470 -1.855 1.750 1.00 51.00 C ATOM 798 CD1 ILE A 49 -0.063 -4.880 1.605 1.00 71.33 C ATOM 0 H ILE A 49 -0.500 -3.123 -2.128 1.00 2.14 H new ATOM 0 HA ILE A 49 -1.721 -2.971 0.557 1.00 55.15 H new ATOM 0 HB ILE A 49 1.113 -2.197 -0.265 1.00 51.24 H new ATOM 0 HG12 ILE A 49 0.885 -4.618 -0.287 1.00 62.11 H new ATOM 0 HG13 ILE A 49 1.857 -4.114 1.081 1.00 62.11 H new ATOM 0 HG21 ILE A 49 1.475 -1.910 2.167 1.00 51.00 H new ATOM 0 HG22 ILE A 49 0.214 -0.813 1.556 1.00 51.00 H new ATOM 0 HG23 ILE A 49 -0.241 -2.277 2.460 1.00 51.00 H new ATOM 0 HD11 ILE A 49 0.311 -5.898 1.714 1.00 71.33 H new ATOM 0 HD12 ILE A 49 -0.084 -4.394 2.581 1.00 71.33 H new ATOM 0 HD13 ILE A 49 -1.071 -4.906 1.191 1.00 71.33 H new ATOM 810 N VAL A 50 -2.366 -0.603 0.159 1.00 4.52 N ATOM 811 CA VAL A 50 -2.762 0.790 -0.001 1.00 34.21 C ATOM 812 C VAL A 50 -2.533 1.538 1.308 1.00 12.54 C ATOM 813 O VAL A 50 -2.826 1.017 2.379 1.00 21.32 O ATOM 814 CB VAL A 50 -4.251 0.908 -0.411 1.00 65.41 C ATOM 815 CG1 VAL A 50 -4.655 2.370 -0.613 1.00 4.12 C ATOM 816 CG2 VAL A 50 -4.524 0.086 -1.668 1.00 23.12 C ATOM 0 H VAL A 50 -2.948 -1.128 0.812 1.00 4.52 H new ATOM 0 HA VAL A 50 -2.155 1.228 -0.793 1.00 34.21 H new ATOM 0 HB VAL A 50 -4.860 0.508 0.400 1.00 65.41 H new ATOM 0 HG11 VAL A 50 -5.705 2.421 -0.900 1.00 4.12 H new ATOM 0 HG12 VAL A 50 -4.506 2.920 0.316 1.00 4.12 H new ATOM 0 HG13 VAL A 50 -4.042 2.812 -1.399 1.00 4.12 H new ATOM 0 HG21 VAL A 50 -5.575 0.180 -1.943 1.00 23.12 H new ATOM 0 HG22 VAL A 50 -3.901 0.452 -2.484 1.00 23.12 H new ATOM 0 HG23 VAL A 50 -4.291 -0.961 -1.476 1.00 23.12 H new ATOM 826 N GLY A 51 -1.993 2.745 1.219 1.00 71.23 N ATOM 827 CA GLY A 51 -1.738 3.540 2.409 1.00 23.12 C ATOM 828 C GLY A 51 -2.329 4.926 2.286 1.00 52.20 C ATOM 829 O GLY A 51 -2.026 5.645 1.330 1.00 63.41 O ATOM 0 H GLY A 51 -1.725 3.192 0.342 1.00 71.23 H new ATOM 0 HA2 GLY A 51 -2.161 3.039 3.280 1.00 23.12 H new ATOM 0 HA3 GLY A 51 -0.663 3.615 2.575 1.00 23.12 H new ATOM 833 N ASP A 52 -3.179 5.297 3.240 1.00 21.15 N ATOM 834 CA ASP A 52 -3.825 6.608 3.232 1.00 64.32 C ATOM 835 C ASP A 52 -3.410 7.415 4.460 1.00 23.43 C ATOM 836 O ASP A 52 -3.073 6.853 5.505 1.00 22.35 O ATOM 837 CB ASP A 52 -5.362 6.468 3.185 1.00 33.20 C ATOM 838 CG ASP A 52 -5.977 6.037 4.514 1.00 54.11 C ATOM 839 OD1 ASP A 52 -6.327 6.927 5.325 1.00 32.24 O ATOM 840 OD2 ASP A 52 -6.136 4.814 4.741 1.00 62.45 O ATOM 0 H ASP A 52 -3.437 4.707 4.031 1.00 21.15 H new ATOM 0 HA ASP A 52 -3.501 7.136 2.335 1.00 64.32 H new ATOM 0 HB2 ASP A 52 -5.796 7.422 2.885 1.00 33.20 H new ATOM 0 HB3 ASP A 52 -5.629 5.741 2.418 1.00 33.20 H new ATOM 845 N TRP A 53 -3.409 8.735 4.306 1.00 4.54 N ATOM 846 CA TRP A 53 -3.141 9.659 5.408 1.00 64.03 C ATOM 847 C TRP A 53 -4.432 10.372 5.806 1.00 42.13 C ATOM 848 O TRP A 53 -4.403 11.517 6.267 1.00 1.10 O ATOM 849 CB TRP A 53 -2.081 10.692 4.992 1.00 43.25 C ATOM 850 CG TRP A 53 -0.716 10.111 4.756 1.00 2.41 C ATOM 851 CD1 TRP A 53 -0.266 9.497 3.620 1.00 35.40 C ATOM 852 CD2 TRP A 53 0.379 10.097 5.679 1.00 23.31 C ATOM 853 NE1 TRP A 53 1.042 9.112 3.780 1.00 21.25 N ATOM 854 CE2 TRP A 53 1.461 9.467 5.035 1.00 34.31 C ATOM 855 CE3 TRP A 53 0.553 10.566 6.984 1.00 41.33 C ATOM 856 CZ2 TRP A 53 2.695 9.284 5.655 1.00 44.53 C ATOM 857 CZ3 TRP A 53 1.777 10.383 7.601 1.00 54.22 C ATOM 858 CH2 TRP A 53 2.835 9.750 6.935 1.00 42.34 C ATOM 0 H TRP A 53 -3.594 9.197 3.415 1.00 4.54 H new ATOM 0 HA TRP A 53 -2.763 9.093 6.260 1.00 64.03 H new ATOM 0 HB2 TRP A 53 -2.414 11.191 4.082 1.00 43.25 H new ATOM 0 HB3 TRP A 53 -2.010 11.455 5.767 1.00 43.25 H new ATOM 0 HD1 TRP A 53 -0.853 9.338 2.728 1.00 35.40 H new ATOM 0 HE1 TRP A 53 1.610 8.638 3.078 1.00 21.25 H new ATOM 0 HE3 TRP A 53 -0.254 11.063 7.502 1.00 41.33 H new ATOM 0 HZ2 TRP A 53 3.511 8.793 5.145 1.00 44.53 H new ATOM 0 HZ3 TRP A 53 1.920 10.734 8.612 1.00 54.22 H new ATOM 0 HH2 TRP A 53 3.781 9.627 7.442 1.00 42.34 H new ATOM 869 N GLY A 54 -5.556 9.670 5.659 1.00 41.52 N ATOM 870 CA GLY A 54 -6.868 10.268 5.874 1.00 2.30 C ATOM 871 C GLY A 54 -6.985 10.993 7.201 1.00 50.24 C ATOM 872 O GLY A 54 -7.282 12.188 7.241 1.00 1.22 O ATOM 0 H GLY A 54 -5.581 8.686 5.392 1.00 41.52 H new ATOM 0 HA2 GLY A 54 -7.078 10.968 5.065 1.00 2.30 H new ATOM 0 HA3 GLY A 54 -7.628 9.488 5.825 1.00 2.30 H new ATOM 876 N TYR A 55 -6.736 10.278 8.293 1.00 54.52 N ATOM 877 CA TYR A 55 -6.829 10.860 9.635 1.00 42.34 C ATOM 878 C TYR A 55 -5.470 11.390 10.088 1.00 72.03 C ATOM 879 O TYR A 55 -5.229 11.576 11.284 1.00 12.35 O ATOM 880 CB TYR A 55 -7.343 9.814 10.634 1.00 31.14 C ATOM 881 CG TYR A 55 -8.671 9.188 10.243 1.00 22.31 C ATOM 882 CD1 TYR A 55 -9.739 9.975 9.822 1.00 73.32 C ATOM 883 CD2 TYR A 55 -8.855 7.810 10.297 1.00 14.40 C ATOM 884 CE1 TYR A 55 -10.946 9.406 9.463 1.00 22.44 C ATOM 885 CE2 TYR A 55 -10.061 7.237 9.941 1.00 63.12 C ATOM 886 CZ TYR A 55 -11.103 8.039 9.524 1.00 42.12 C ATOM 887 OH TYR A 55 -12.305 7.467 9.162 1.00 51.35 O ATOM 0 H TYR A 55 -6.468 9.294 8.279 1.00 54.52 H new ATOM 0 HA TYR A 55 -7.532 11.692 9.599 1.00 42.34 H new ATOM 0 HB2 TYR A 55 -6.597 9.026 10.735 1.00 31.14 H new ATOM 0 HB3 TYR A 55 -7.447 10.282 11.613 1.00 31.14 H new ATOM 0 HD1 TYR A 55 -9.622 11.048 9.775 1.00 73.32 H new ATOM 0 HD2 TYR A 55 -8.042 7.178 10.622 1.00 14.40 H new ATOM 0 HE1 TYR A 55 -11.764 10.031 9.136 1.00 22.44 H new ATOM 0 HE2 TYR A 55 -10.187 6.165 9.989 1.00 63.12 H new ATOM 0 HH TYR A 55 -12.247 6.494 9.262 1.00 51.35 H new ATOM 897 N GLY A 56 -4.589 11.648 9.123 1.00 54.23 N ATOM 898 CA GLY A 56 -3.233 12.061 9.439 1.00 24.42 C ATOM 899 C GLY A 56 -2.417 10.921 10.020 1.00 44.22 C ATOM 900 O GLY A 56 -1.356 11.137 10.606 1.00 53.53 O ATOM 0 H GLY A 56 -4.792 11.578 8.126 1.00 54.23 H new ATOM 0 HA2 GLY A 56 -2.747 12.433 8.537 1.00 24.42 H new ATOM 0 HA3 GLY A 56 -3.261 12.887 10.150 1.00 24.42 H new ATOM 904 N GLN A 57 -2.928 9.704 9.849 1.00 33.43 N ATOM 905 CA GLN A 57 -2.289 8.497 10.361 1.00 25.32 C ATOM 906 C GLN A 57 -2.096 7.510 9.215 1.00 73.13 C ATOM 907 O GLN A 57 -3.075 7.034 8.644 1.00 12.02 O ATOM 908 CB GLN A 57 -3.159 7.858 11.458 1.00 10.11 C ATOM 909 CG GLN A 57 -3.517 8.798 12.606 1.00 23.44 C ATOM 910 CD GLN A 57 -2.303 9.299 13.369 1.00 1.14 C ATOM 911 OE1 GLN A 57 -1.287 8.607 13.467 1.00 2.31 O ATOM 912 NE2 GLN A 57 -2.404 10.495 13.928 1.00 32.55 N ATOM 0 H GLN A 57 -3.800 9.528 9.350 1.00 33.43 H new ATOM 0 HA GLN A 57 -1.322 8.756 10.791 1.00 25.32 H new ATOM 0 HB2 GLN A 57 -4.080 7.489 11.006 1.00 10.11 H new ATOM 0 HB3 GLN A 57 -2.634 6.993 11.863 1.00 10.11 H new ATOM 0 HG2 GLN A 57 -4.067 9.652 12.210 1.00 23.44 H new ATOM 0 HG3 GLN A 57 -4.184 8.281 13.296 1.00 23.44 H new ATOM 0 HE21 GLN A 57 -3.262 11.036 13.823 1.00 32.55 H new ATOM 0 HE22 GLN A 57 -1.624 10.875 14.463 1.00 32.55 H new ATOM 921 N LEU A 58 -0.844 7.228 8.870 1.00 50.13 N ATOM 922 CA LEU A 58 -0.545 6.328 7.761 1.00 33.11 C ATOM 923 C LEU A 58 -0.884 4.891 8.148 1.00 64.23 C ATOM 924 O LEU A 58 -0.212 4.287 8.990 1.00 32.35 O ATOM 925 CB LEU A 58 0.935 6.456 7.346 1.00 71.45 C ATOM 926 CG LEU A 58 1.351 5.729 6.042 1.00 43.31 C ATOM 927 CD1 LEU A 58 1.562 4.231 6.264 1.00 42.14 C ATOM 928 CD2 LEU A 58 0.321 5.967 4.937 1.00 22.14 C ATOM 0 H LEU A 58 -0.022 7.608 9.340 1.00 50.13 H new ATOM 0 HA LEU A 58 -1.158 6.606 6.904 1.00 33.11 H new ATOM 0 HB2 LEU A 58 1.168 7.515 7.236 1.00 71.45 H new ATOM 0 HB3 LEU A 58 1.552 6.076 8.160 1.00 71.45 H new ATOM 0 HG LEU A 58 2.306 6.151 5.728 1.00 43.31 H new ATOM 0 HD11 LEU A 58 1.852 3.761 5.324 1.00 42.14 H new ATOM 0 HD12 LEU A 58 2.349 4.080 7.003 1.00 42.14 H new ATOM 0 HD13 LEU A 58 0.636 3.782 6.623 1.00 42.14 H new ATOM 0 HD21 LEU A 58 0.633 5.448 4.031 1.00 22.14 H new ATOM 0 HD22 LEU A 58 -0.650 5.588 5.257 1.00 22.14 H new ATOM 0 HD23 LEU A 58 0.245 7.035 4.735 1.00 22.14 H new ATOM 940 N ARG A 59 -1.939 4.362 7.547 1.00 74.44 N ATOM 941 CA ARG A 59 -2.315 2.967 7.730 1.00 43.31 C ATOM 942 C ARG A 59 -2.274 2.239 6.394 1.00 22.30 C ATOM 943 O ARG A 59 -2.704 2.775 5.373 1.00 42.21 O ATOM 944 CB ARG A 59 -3.717 2.849 8.346 1.00 72.13 C ATOM 945 CG ARG A 59 -4.291 1.428 8.293 1.00 43.33 C ATOM 946 CD ARG A 59 -5.661 1.334 8.954 1.00 40.34 C ATOM 947 NE ARG A 59 -5.579 1.381 10.417 1.00 72.32 N ATOM 948 CZ ARG A 59 -6.607 1.113 11.227 1.00 65.01 C ATOM 949 NH1 ARG A 59 -7.803 0.837 10.715 1.00 21.40 N ATOM 950 NH2 ARG A 59 -6.444 1.133 12.543 1.00 73.21 N ATOM 0 H ARG A 59 -2.555 4.883 6.923 1.00 74.44 H new ATOM 0 HA ARG A 59 -1.601 2.509 8.415 1.00 43.31 H new ATOM 0 HB2 ARG A 59 -3.678 3.178 9.384 1.00 72.13 H new ATOM 0 HB3 ARG A 59 -4.393 3.525 7.823 1.00 72.13 H new ATOM 0 HG2 ARG A 59 -4.368 1.108 7.254 1.00 43.33 H new ATOM 0 HG3 ARG A 59 -3.603 0.742 8.787 1.00 43.33 H new ATOM 0 HD2 ARG A 59 -6.289 2.152 8.601 1.00 40.34 H new ATOM 0 HD3 ARG A 59 -6.146 0.406 8.649 1.00 40.34 H new ATOM 0 HE ARG A 59 -4.686 1.633 10.841 1.00 72.32 H new ATOM 0 HH11 ARG A 59 -7.936 0.830 9.704 1.00 21.40 H new ATOM 0 HH12 ARG A 59 -8.588 0.632 11.334 1.00 21.40 H new ATOM 0 HH21 ARG A 59 -5.531 1.354 12.941 1.00 73.21 H new ATOM 0 HH22 ARG A 59 -7.232 0.928 13.158 1.00 73.21 H new ATOM 964 N LEU A 60 -1.748 1.021 6.408 1.00 25.43 N ATOM 965 CA LEU A 60 -1.697 0.193 5.212 1.00 64.43 C ATOM 966 C LEU A 60 -2.854 -0.802 5.216 1.00 22.00 C ATOM 967 O LEU A 60 -2.907 -1.701 6.058 1.00 24.32 O ATOM 968 CB LEU A 60 -0.359 -0.552 5.124 1.00 25.14 C ATOM 969 CG LEU A 60 0.890 0.337 5.057 1.00 54.00 C ATOM 970 CD1 LEU A 60 2.148 -0.517 4.943 1.00 52.20 C ATOM 971 CD2 LEU A 60 0.794 1.321 3.894 1.00 51.40 C ATOM 0 H LEU A 60 -1.349 0.584 7.239 1.00 25.43 H new ATOM 0 HA LEU A 60 -1.787 0.840 4.340 1.00 64.43 H new ATOM 0 HB2 LEU A 60 -0.271 -1.208 5.990 1.00 25.14 H new ATOM 0 HB3 LEU A 60 -0.376 -1.191 4.241 1.00 25.14 H new ATOM 0 HG LEU A 60 0.950 0.913 5.980 1.00 54.00 H new ATOM 0 HD11 LEU A 60 3.024 0.130 4.897 1.00 52.20 H new ATOM 0 HD12 LEU A 60 2.225 -1.170 5.813 1.00 52.20 H new ATOM 0 HD13 LEU A 60 2.096 -1.123 4.038 1.00 52.20 H new ATOM 0 HD21 LEU A 60 1.690 1.940 3.867 1.00 51.40 H new ATOM 0 HD22 LEU A 60 0.705 0.770 2.958 1.00 51.40 H new ATOM 0 HD23 LEU A 60 -0.082 1.956 4.026 1.00 51.40 H new ATOM 983 N LYS A 61 -3.784 -0.615 4.291 1.00 72.13 N ATOM 984 CA LYS A 61 -4.932 -1.498 4.142 1.00 0.33 C ATOM 985 C LYS A 61 -4.700 -2.396 2.929 1.00 20.00 C ATOM 986 O LYS A 61 -4.381 -1.909 1.841 1.00 22.32 O ATOM 987 CB LYS A 61 -6.218 -0.660 3.975 1.00 44.53 C ATOM 988 CG LYS A 61 -7.505 -1.368 4.403 1.00 62.52 C ATOM 989 CD LYS A 61 -7.878 -2.533 3.490 1.00 61.43 C ATOM 990 CE LYS A 61 -9.172 -3.206 3.936 1.00 22.30 C ATOM 991 NZ LYS A 61 -9.063 -3.786 5.303 1.00 62.10 N ATOM 0 H LYS A 61 -3.764 0.154 3.622 1.00 72.13 H new ATOM 0 HA LYS A 61 -5.051 -2.120 5.029 1.00 0.33 H new ATOM 0 HB2 LYS A 61 -6.115 0.258 4.554 1.00 44.53 H new ATOM 0 HB3 LYS A 61 -6.311 -0.368 2.929 1.00 44.53 H new ATOM 0 HG2 LYS A 61 -7.389 -1.736 5.423 1.00 62.52 H new ATOM 0 HG3 LYS A 61 -8.323 -0.647 4.415 1.00 62.52 H new ATOM 0 HD2 LYS A 61 -7.989 -2.173 2.467 1.00 61.43 H new ATOM 0 HD3 LYS A 61 -7.070 -3.265 3.485 1.00 61.43 H new ATOM 0 HE2 LYS A 61 -9.983 -2.479 3.916 1.00 22.30 H new ATOM 0 HE3 LYS A 61 -9.432 -3.994 3.229 1.00 22.30 H new ATOM 0 HZ1 LYS A 61 -9.889 -4.389 5.491 1.00 62.10 H new ATOM 0 HZ2 LYS A 61 -8.196 -4.357 5.370 1.00 62.10 H new ATOM 0 HZ3 LYS A 61 -9.027 -3.019 6.004 1.00 62.10 H new ATOM 1005 N GLY A 62 -4.839 -3.699 3.119 1.00 70.51 N ATOM 1006 CA GLY A 62 -4.589 -4.636 2.041 1.00 22.22 C ATOM 1007 C GLY A 62 -5.851 -4.995 1.282 1.00 31.20 C ATOM 1008 O GLY A 62 -6.934 -5.054 1.864 1.00 73.45 O ATOM 0 H GLY A 62 -5.121 -4.126 4.001 1.00 70.51 H new ATOM 0 HA2 GLY A 62 -3.863 -4.206 1.351 1.00 22.22 H new ATOM 0 HA3 GLY A 62 -4.143 -5.543 2.448 1.00 22.22 H new ATOM 1012 N PHE A 63 -5.705 -5.243 -0.015 1.00 41.05 N ATOM 1013 CA PHE A 63 -6.818 -5.653 -0.873 1.00 14.44 C ATOM 1014 C PHE A 63 -6.388 -6.818 -1.756 1.00 74.03 C ATOM 1015 O PHE A 63 -5.195 -7.087 -1.898 1.00 33.12 O ATOM 1016 CB PHE A 63 -7.291 -4.486 -1.759 1.00 53.01 C ATOM 1017 CG PHE A 63 -7.880 -3.324 -1.000 1.00 4.21 C ATOM 1018 CD1 PHE A 63 -9.201 -3.352 -0.575 1.00 25.21 C ATOM 1019 CD2 PHE A 63 -7.117 -2.199 -0.720 1.00 54.00 C ATOM 1020 CE1 PHE A 63 -9.746 -2.285 0.112 1.00 15.21 C ATOM 1021 CE2 PHE A 63 -7.658 -1.129 -0.033 1.00 45.31 C ATOM 1022 CZ PHE A 63 -8.973 -1.173 0.383 1.00 51.35 C ATOM 0 H PHE A 63 -4.813 -5.166 -0.504 1.00 41.05 H new ATOM 0 HA PHE A 63 -7.645 -5.961 -0.233 1.00 14.44 H new ATOM 0 HB2 PHE A 63 -6.447 -4.128 -2.348 1.00 53.01 H new ATOM 0 HB3 PHE A 63 -8.035 -4.859 -2.462 1.00 53.01 H new ATOM 0 HD1 PHE A 63 -9.810 -4.219 -0.784 1.00 25.21 H new ATOM 0 HD2 PHE A 63 -6.087 -2.159 -1.043 1.00 54.00 H new ATOM 0 HE1 PHE A 63 -10.775 -2.320 0.437 1.00 15.21 H new ATOM 0 HE2 PHE A 63 -7.053 -0.260 0.178 1.00 45.31 H new ATOM 0 HZ PHE A 63 -9.398 -0.338 0.920 1.00 51.35 H new ATOM 1032 N PHE A 64 -7.359 -7.512 -2.339 1.00 10.24 N ATOM 1033 CA PHE A 64 -7.082 -8.566 -3.313 1.00 55.24 C ATOM 1034 C PHE A 64 -7.384 -8.049 -4.716 1.00 22.33 C ATOM 1035 O PHE A 64 -8.133 -7.075 -4.874 1.00 12.43 O ATOM 1036 CB PHE A 64 -7.931 -9.819 -3.029 1.00 33.44 C ATOM 1037 CG PHE A 64 -7.621 -10.492 -1.714 1.00 34.13 C ATOM 1038 CD1 PHE A 64 -6.480 -11.272 -1.572 1.00 14.30 C ATOM 1039 CD2 PHE A 64 -8.469 -10.353 -0.627 1.00 32.00 C ATOM 1040 CE1 PHE A 64 -6.195 -11.897 -0.372 1.00 55.31 C ATOM 1041 CE2 PHE A 64 -8.190 -10.976 0.573 1.00 74.54 C ATOM 1042 CZ PHE A 64 -7.052 -11.749 0.701 1.00 51.55 C ATOM 0 H PHE A 64 -8.351 -7.364 -2.154 1.00 10.24 H new ATOM 0 HA PHE A 64 -6.030 -8.842 -3.236 1.00 55.24 H new ATOM 0 HB2 PHE A 64 -8.985 -9.541 -3.042 1.00 33.44 H new ATOM 0 HB3 PHE A 64 -7.781 -10.536 -3.836 1.00 33.44 H new ATOM 0 HD1 PHE A 64 -5.808 -11.392 -2.409 1.00 14.30 H new ATOM 0 HD2 PHE A 64 -9.360 -9.749 -0.720 1.00 32.00 H new ATOM 0 HE1 PHE A 64 -5.304 -12.500 -0.274 1.00 55.31 H new ATOM 0 HE2 PHE A 64 -8.861 -10.859 1.411 1.00 74.54 H new ATOM 0 HZ PHE A 64 -6.833 -12.237 1.639 1.00 51.55 H new ATOM 1052 N ASP A 65 -6.800 -8.691 -5.728 1.00 11.15 N ATOM 1053 CA ASP A 65 -7.047 -8.315 -7.118 1.00 40.42 C ATOM 1054 C ASP A 65 -8.540 -8.406 -7.419 1.00 65.31 C ATOM 1055 O ASP A 65 -9.170 -9.442 -7.193 1.00 64.24 O ATOM 1056 CB ASP A 65 -6.239 -9.195 -8.096 1.00 3.02 C ATOM 1057 CG ASP A 65 -6.661 -10.661 -8.101 1.00 63.24 C ATOM 1058 OD1 ASP A 65 -6.098 -11.453 -7.310 1.00 2.32 O ATOM 1059 OD2 ASP A 65 -7.542 -11.035 -8.906 1.00 73.32 O ATOM 0 H ASP A 65 -6.154 -9.472 -5.611 1.00 11.15 H new ATOM 0 HA ASP A 65 -6.715 -7.286 -7.258 1.00 40.42 H new ATOM 0 HB2 ASP A 65 -6.345 -8.793 -9.104 1.00 3.02 H new ATOM 0 HB3 ASP A 65 -5.182 -9.132 -7.837 1.00 3.02 H new ATOM 1064 N ASP A 66 -9.113 -7.303 -7.885 1.00 14.44 N ATOM 1065 CA ASP A 66 -10.537 -7.249 -8.197 1.00 33.14 C ATOM 1066 C ASP A 66 -10.748 -7.222 -9.708 1.00 55.31 C ATOM 1067 O ASP A 66 -11.054 -8.251 -10.314 1.00 53.10 O ATOM 1068 CB ASP A 66 -11.187 -6.031 -7.534 1.00 23.21 C ATOM 1069 CG ASP A 66 -12.659 -5.914 -7.880 1.00 32.13 C ATOM 1070 OD1 ASP A 66 -13.423 -6.854 -7.578 1.00 13.22 O ATOM 1071 OD2 ASP A 66 -13.057 -4.887 -8.466 1.00 51.32 O ATOM 0 H ASP A 66 -8.612 -6.431 -8.056 1.00 14.44 H new ATOM 0 HA ASP A 66 -11.014 -8.145 -7.800 1.00 33.14 H new ATOM 0 HB2 ASP A 66 -11.073 -6.103 -6.452 1.00 23.21 H new ATOM 0 HB3 ASP A 66 -10.667 -5.126 -7.849 1.00 23.21 H new ATOM 1205 N THR A 75 -4.801 -3.049 -12.813 1.00 1.05 N ATOM 1206 CA THR A 75 -4.652 -3.019 -11.362 1.00 24.14 C ATOM 1207 C THR A 75 -5.829 -2.289 -10.714 1.00 10.24 C ATOM 1208 O THR A 75 -5.713 -1.756 -9.611 1.00 32.15 O ATOM 1209 CB THR A 75 -3.322 -2.334 -10.959 1.00 74.23 C ATOM 1210 OG1 THR A 75 -3.220 -1.049 -11.593 1.00 53.30 O ATOM 1211 CG2 THR A 75 -2.118 -3.183 -11.353 1.00 53.14 C ATOM 0 HA THR A 75 -4.637 -4.049 -11.006 1.00 24.14 H new ATOM 0 HB THR A 75 -3.324 -2.216 -9.875 1.00 74.23 H new ATOM 0 HG1 THR A 75 -3.540 -1.114 -12.517 1.00 53.30 H new ATOM 0 HG21 THR A 75 -1.201 -2.674 -11.056 1.00 53.14 H new ATOM 0 HG22 THR A 75 -2.175 -4.150 -10.852 1.00 53.14 H new ATOM 0 HG23 THR A 75 -2.116 -3.333 -12.433 1.00 53.14 H new ATOM 1219 N LYS A 76 -6.967 -2.288 -11.401 1.00 63.40 N ATOM 1220 CA LYS A 76 -8.163 -1.606 -10.916 1.00 13.25 C ATOM 1221 C LYS A 76 -8.848 -2.439 -9.833 1.00 61.11 C ATOM 1222 O LYS A 76 -9.067 -3.638 -9.999 1.00 24.23 O ATOM 1223 CB LYS A 76 -9.139 -1.335 -12.074 1.00 23.54 C ATOM 1224 CG LYS A 76 -10.463 -0.690 -11.650 1.00 12.34 C ATOM 1225 CD LYS A 76 -10.264 0.695 -11.029 1.00 73.03 C ATOM 1226 CE LYS A 76 -11.592 1.324 -10.607 1.00 33.24 C ATOM 1227 NZ LYS A 76 -11.406 2.666 -9.994 1.00 25.02 N ATOM 0 H LYS A 76 -7.087 -2.754 -12.300 1.00 63.40 H new ATOM 0 HA LYS A 76 -7.862 -0.651 -10.486 1.00 13.25 H new ATOM 0 HB2 LYS A 76 -8.650 -0.687 -12.801 1.00 23.54 H new ATOM 0 HB3 LYS A 76 -9.353 -2.276 -12.580 1.00 23.54 H new ATOM 0 HG2 LYS A 76 -11.117 -0.606 -12.518 1.00 12.34 H new ATOM 0 HG3 LYS A 76 -10.967 -1.338 -10.933 1.00 12.34 H new ATOM 0 HD2 LYS A 76 -9.608 0.614 -10.162 1.00 73.03 H new ATOM 0 HD3 LYS A 76 -9.765 1.347 -11.746 1.00 73.03 H new ATOM 0 HE2 LYS A 76 -12.244 1.410 -11.476 1.00 33.24 H new ATOM 0 HE3 LYS A 76 -12.094 0.668 -9.896 1.00 33.24 H new ATOM 0 HZ1 LYS A 76 -12.302 3.193 -10.033 1.00 25.02 H new ATOM 0 HZ2 LYS A 76 -11.111 2.557 -9.003 1.00 25.02 H new ATOM 0 HZ3 LYS A 76 -10.674 3.188 -10.517 1.00 25.02 H new ATOM 1241 N ILE A 77 -9.167 -1.794 -8.719 1.00 54.05 N ATOM 1242 CA ILE A 77 -9.882 -2.433 -7.624 1.00 3.34 C ATOM 1243 C ILE A 77 -11.093 -1.579 -7.249 1.00 44.43 C ATOM 1244 O ILE A 77 -10.936 -0.468 -6.746 1.00 55.52 O ATOM 1245 CB ILE A 77 -8.961 -2.624 -6.383 1.00 23.20 C ATOM 1246 CG1 ILE A 77 -7.719 -3.453 -6.757 1.00 43.11 C ATOM 1247 CG2 ILE A 77 -9.726 -3.290 -5.241 1.00 65.43 C ATOM 1248 CD1 ILE A 77 -6.729 -3.628 -5.623 1.00 22.30 C ATOM 0 H ILE A 77 -8.938 -0.815 -8.550 1.00 54.05 H new ATOM 0 HA ILE A 77 -10.210 -3.420 -7.951 1.00 3.34 H new ATOM 0 HB ILE A 77 -8.632 -1.641 -6.046 1.00 23.20 H new ATOM 0 HG12 ILE A 77 -8.041 -4.437 -7.099 1.00 43.11 H new ATOM 0 HG13 ILE A 77 -7.214 -2.973 -7.595 1.00 43.11 H new ATOM 0 HG21 ILE A 77 -9.064 -3.414 -4.384 1.00 65.43 H new ATOM 0 HG22 ILE A 77 -10.573 -2.666 -4.958 1.00 65.43 H new ATOM 0 HG23 ILE A 77 -10.087 -4.266 -5.565 1.00 65.43 H new ATOM 0 HD11 ILE A 77 -5.883 -4.223 -5.967 1.00 22.30 H new ATOM 0 HD12 ILE A 77 -6.376 -2.651 -5.295 1.00 22.30 H new ATOM 0 HD13 ILE A 77 -7.215 -4.136 -4.791 1.00 22.30 H new ATOM 1260 N SER A 78 -12.296 -2.084 -7.511 1.00 61.11 N ATOM 1261 CA SER A 78 -13.523 -1.319 -7.280 1.00 75.21 C ATOM 1262 C SER A 78 -13.652 -0.898 -5.811 1.00 5.23 C ATOM 1263 O SER A 78 -14.023 0.238 -5.512 1.00 61.11 O ATOM 1264 CB SER A 78 -14.738 -2.147 -7.713 1.00 65.33 C ATOM 1265 OG SER A 78 -14.592 -2.588 -9.055 1.00 4.25 O ATOM 0 H SER A 78 -12.450 -3.021 -7.884 1.00 61.11 H new ATOM 0 HA SER A 78 -13.478 -0.409 -7.878 1.00 75.21 H new ATOM 0 HB2 SER A 78 -14.852 -3.007 -7.053 1.00 65.33 H new ATOM 0 HB3 SER A 78 -15.644 -1.549 -7.618 1.00 65.33 H new ATOM 0 HG SER A 78 -14.076 -3.421 -9.071 1.00 4.25 H new ATOM 1271 N THR A 79 -13.318 -1.806 -4.895 1.00 10.41 N ATOM 1272 CA THR A 79 -13.437 -1.524 -3.467 1.00 25.32 C ATOM 1273 C THR A 79 -12.368 -0.525 -3.007 1.00 21.41 C ATOM 1274 O THR A 79 -12.450 0.009 -1.897 1.00 64.22 O ATOM 1275 CB THR A 79 -13.367 -2.817 -2.614 1.00 74.50 C ATOM 1276 OG1 THR A 79 -13.551 -2.507 -1.224 1.00 21.24 O ATOM 1277 CG2 THR A 79 -12.041 -3.544 -2.798 1.00 13.22 C ATOM 0 H THR A 79 -12.965 -2.737 -5.115 1.00 10.41 H new ATOM 0 HA THR A 79 -14.419 -1.076 -3.315 1.00 25.32 H new ATOM 0 HB THR A 79 -14.167 -3.474 -2.955 1.00 74.50 H new ATOM 0 HG1 THR A 79 -13.241 -1.594 -1.049 1.00 21.24 H new ATOM 0 HG21 THR A 79 -12.031 -4.444 -2.184 1.00 13.22 H new ATOM 0 HG22 THR A 79 -11.919 -3.818 -3.846 1.00 13.22 H new ATOM 0 HG23 THR A 79 -11.223 -2.890 -2.496 1.00 13.22 H new ATOM 1285 N LEU A 80 -11.375 -0.269 -3.861 1.00 2.10 N ATOM 1286 CA LEU A 80 -10.362 0.747 -3.573 1.00 72.04 C ATOM 1287 C LEU A 80 -11.018 2.119 -3.557 1.00 64.32 C ATOM 1288 O LEU A 80 -10.842 2.894 -2.618 1.00 41.22 O ATOM 1289 CB LEU A 80 -9.233 0.713 -4.616 1.00 72.12 C ATOM 1290 CG LEU A 80 -8.185 1.833 -4.494 1.00 2.15 C ATOM 1291 CD1 LEU A 80 -7.477 1.770 -3.143 1.00 51.22 C ATOM 1292 CD2 LEU A 80 -7.177 1.755 -5.641 1.00 52.44 C ATOM 0 H LEU A 80 -11.251 -0.748 -4.753 1.00 2.10 H new ATOM 0 HA LEU A 80 -9.923 0.538 -2.598 1.00 72.04 H new ATOM 0 HB2 LEU A 80 -8.723 -0.248 -4.543 1.00 72.12 H new ATOM 0 HB3 LEU A 80 -9.678 0.762 -5.610 1.00 72.12 H new ATOM 0 HG LEU A 80 -8.701 2.791 -4.559 1.00 2.15 H new ATOM 0 HD11 LEU A 80 -6.741 2.571 -3.080 1.00 51.22 H new ATOM 0 HD12 LEU A 80 -8.208 1.886 -2.343 1.00 51.22 H new ATOM 0 HD13 LEU A 80 -6.975 0.808 -3.040 1.00 51.22 H new ATOM 0 HD21 LEU A 80 -6.444 2.555 -5.537 1.00 52.44 H new ATOM 0 HD22 LEU A 80 -6.668 0.791 -5.613 1.00 52.44 H new ATOM 0 HD23 LEU A 80 -7.699 1.863 -6.592 1.00 52.44 H new ATOM 1304 N ASP A 81 -11.786 2.393 -4.607 1.00 32.14 N ATOM 1305 CA ASP A 81 -12.557 3.629 -4.721 1.00 61.45 C ATOM 1306 C ASP A 81 -13.410 3.828 -3.473 1.00 13.43 C ATOM 1307 O ASP A 81 -13.430 4.908 -2.879 1.00 44.01 O ATOM 1308 CB ASP A 81 -13.462 3.575 -5.966 1.00 3.20 C ATOM 1309 CG ASP A 81 -12.689 3.457 -7.276 1.00 61.31 C ATOM 1310 OD1 ASP A 81 -11.668 2.738 -7.320 1.00 35.03 O ATOM 1311 OD2 ASP A 81 -13.109 4.073 -8.281 1.00 41.10 O ATOM 0 H ASP A 81 -11.892 1.765 -5.404 1.00 32.14 H new ATOM 0 HA ASP A 81 -11.866 4.466 -4.819 1.00 61.45 H new ATOM 0 HB2 ASP A 81 -14.140 2.726 -5.876 1.00 3.20 H new ATOM 0 HB3 ASP A 81 -14.078 4.474 -5.997 1.00 3.20 H new ATOM 1316 N GLU A 82 -14.091 2.755 -3.074 1.00 32.01 N ATOM 1317 CA GLU A 82 -14.952 2.758 -1.892 1.00 4.23 C ATOM 1318 C GLU A 82 -14.172 3.168 -0.646 1.00 24.33 C ATOM 1319 O GLU A 82 -14.655 3.951 0.174 1.00 61.32 O ATOM 1320 CB GLU A 82 -15.558 1.363 -1.680 1.00 71.34 C ATOM 1321 CG GLU A 82 -16.375 0.855 -2.862 1.00 70.54 C ATOM 1322 CD GLU A 82 -17.624 1.684 -3.111 1.00 15.22 C ATOM 1323 OE1 GLU A 82 -18.671 1.384 -2.498 1.00 32.33 O ATOM 1324 OE2 GLU A 82 -17.568 2.637 -3.911 1.00 42.32 O ATOM 0 H GLU A 82 -14.062 1.859 -3.561 1.00 32.01 H new ATOM 0 HA GLU A 82 -15.749 3.483 -2.057 1.00 4.23 H new ATOM 0 HB2 GLU A 82 -14.754 0.656 -1.477 1.00 71.34 H new ATOM 0 HB3 GLU A 82 -16.194 1.385 -0.795 1.00 71.34 H new ATOM 0 HG2 GLU A 82 -15.754 0.863 -3.758 1.00 70.54 H new ATOM 0 HG3 GLU A 82 -16.662 -0.181 -2.682 1.00 70.54 H new ATOM 1331 N TYR A 83 -12.964 2.626 -0.509 1.00 32.33 N ATOM 1332 CA TYR A 83 -12.133 2.878 0.664 1.00 24.43 C ATOM 1333 C TYR A 83 -11.615 4.316 0.661 1.00 55.42 C ATOM 1334 O TYR A 83 -11.716 5.025 1.661 1.00 61.35 O ATOM 1335 CB TYR A 83 -10.962 1.886 0.711 1.00 41.44 C ATOM 1336 CG TYR A 83 -10.089 2.015 1.950 1.00 43.45 C ATOM 1337 CD1 TYR A 83 -10.561 1.631 3.204 1.00 34.44 C ATOM 1338 CD2 TYR A 83 -8.793 2.517 1.867 1.00 71.22 C ATOM 1339 CE1 TYR A 83 -9.769 1.747 4.332 1.00 64.14 C ATOM 1340 CE2 TYR A 83 -7.996 2.634 2.990 1.00 20.33 C ATOM 1341 CZ TYR A 83 -8.488 2.247 4.220 1.00 13.13 C ATOM 1342 OH TYR A 83 -7.699 2.366 5.347 1.00 14.02 O ATOM 0 H TYR A 83 -12.538 2.007 -1.199 1.00 32.33 H new ATOM 0 HA TYR A 83 -12.745 2.738 1.555 1.00 24.43 H new ATOM 0 HB2 TYR A 83 -11.357 0.871 0.662 1.00 41.44 H new ATOM 0 HB3 TYR A 83 -10.342 2.030 -0.174 1.00 41.44 H new ATOM 0 HD1 TYR A 83 -11.562 1.236 3.296 1.00 34.44 H new ATOM 0 HD2 TYR A 83 -8.403 2.821 0.907 1.00 71.22 H new ATOM 0 HE1 TYR A 83 -10.152 1.447 5.296 1.00 64.14 H new ATOM 0 HE2 TYR A 83 -6.993 3.026 2.905 1.00 20.33 H new ATOM 0 HH TYR A 83 -7.125 3.156 5.263 1.00 14.02 H new ATOM 1352 N ILE A 84 -11.077 4.746 -0.478 1.00 43.04 N ATOM 1353 CA ILE A 84 -10.525 6.092 -0.611 1.00 54.43 C ATOM 1354 C ILE A 84 -11.614 7.143 -0.392 1.00 42.42 C ATOM 1355 O ILE A 84 -11.368 8.187 0.212 1.00 31.53 O ATOM 1356 CB ILE A 84 -9.873 6.305 -2.004 1.00 5.40 C ATOM 1357 CG1 ILE A 84 -8.733 5.295 -2.227 1.00 73.41 C ATOM 1358 CG2 ILE A 84 -9.361 7.738 -2.156 1.00 4.22 C ATOM 1359 CD1 ILE A 84 -7.598 5.410 -1.225 1.00 70.14 C ATOM 0 H ILE A 84 -11.012 4.180 -1.324 1.00 43.04 H new ATOM 0 HA ILE A 84 -9.754 6.203 0.152 1.00 54.43 H new ATOM 0 HB ILE A 84 -10.636 6.138 -2.764 1.00 5.40 H new ATOM 0 HG12 ILE A 84 -9.142 4.286 -2.182 1.00 73.41 H new ATOM 0 HG13 ILE A 84 -8.332 5.432 -3.231 1.00 73.41 H new ATOM 0 HG21 ILE A 84 -8.909 7.860 -3.140 1.00 4.22 H new ATOM 0 HG22 ILE A 84 -10.192 8.435 -2.049 1.00 4.22 H new ATOM 0 HG23 ILE A 84 -8.616 7.942 -1.387 1.00 4.22 H new ATOM 0 HD11 ILE A 84 -6.836 4.664 -1.451 1.00 70.14 H new ATOM 0 HD12 ILE A 84 -7.160 6.406 -1.284 1.00 70.14 H new ATOM 0 HD13 ILE A 84 -7.982 5.242 -0.219 1.00 70.14 H new ATOM 1371 N TYR A 85 -12.819 6.835 -0.865 1.00 32.44 N ATOM 1372 CA TYR A 85 -13.959 7.751 -0.772 1.00 41.12 C ATOM 1373 C TYR A 85 -14.240 8.132 0.686 1.00 41.24 C ATOM 1374 O TYR A 85 -14.692 9.240 0.972 1.00 14.20 O ATOM 1375 CB TYR A 85 -15.204 7.103 -1.400 1.00 31.53 C ATOM 1376 CG TYR A 85 -16.327 8.076 -1.715 1.00 73.25 C ATOM 1377 CD1 TYR A 85 -17.311 8.375 -0.776 1.00 22.00 C ATOM 1378 CD2 TYR A 85 -16.405 8.689 -2.962 1.00 21.15 C ATOM 1379 CE1 TYR A 85 -18.339 9.252 -1.075 1.00 14.05 C ATOM 1380 CE2 TYR A 85 -17.427 9.567 -3.265 1.00 11.15 C ATOM 1381 CZ TYR A 85 -18.393 9.845 -2.320 1.00 44.34 C ATOM 1382 OH TYR A 85 -19.421 10.712 -2.627 1.00 2.22 O ATOM 0 H TYR A 85 -13.035 5.949 -1.322 1.00 32.44 H new ATOM 0 HA TYR A 85 -13.714 8.661 -1.319 1.00 41.12 H new ATOM 0 HB2 TYR A 85 -14.910 6.596 -2.319 1.00 31.53 H new ATOM 0 HB3 TYR A 85 -15.582 6.338 -0.721 1.00 31.53 H new ATOM 0 HD1 TYR A 85 -17.271 7.915 0.201 1.00 22.00 H new ATOM 0 HD2 TYR A 85 -15.653 8.474 -3.706 1.00 21.15 H new ATOM 0 HE1 TYR A 85 -19.096 9.472 -0.337 1.00 14.05 H new ATOM 0 HE2 TYR A 85 -17.470 10.034 -4.238 1.00 11.15 H new ATOM 0 HH TYR A 85 -19.308 11.042 -3.543 1.00 2.22 H new ATOM 1392 N GLU A 86 -13.957 7.204 1.603 1.00 12.10 N ATOM 1393 CA GLU A 86 -14.192 7.428 3.029 1.00 52.04 C ATOM 1394 C GLU A 86 -13.295 8.543 3.567 1.00 50.11 C ATOM 1395 O GLU A 86 -13.677 9.274 4.480 1.00 53.14 O ATOM 1396 CB GLU A 86 -13.944 6.139 3.832 1.00 21.22 C ATOM 1397 CG GLU A 86 -14.878 4.992 3.466 1.00 62.24 C ATOM 1398 CD GLU A 86 -14.674 3.767 4.344 1.00 24.41 C ATOM 1399 OE1 GLU A 86 -14.911 3.862 5.569 1.00 11.01 O ATOM 1400 OE2 GLU A 86 -14.298 2.697 3.812 1.00 62.32 O ATOM 0 H GLU A 86 -13.564 6.289 1.382 1.00 12.10 H new ATOM 0 HA GLU A 86 -15.234 7.728 3.145 1.00 52.04 H new ATOM 0 HB2 GLU A 86 -12.914 5.819 3.677 1.00 21.22 H new ATOM 0 HB3 GLU A 86 -14.053 6.358 4.894 1.00 21.22 H new ATOM 0 HG2 GLU A 86 -15.911 5.328 3.553 1.00 62.24 H new ATOM 0 HG3 GLU A 86 -14.719 4.717 2.423 1.00 62.24 H new ATOM 1407 N TYR A 87 -12.103 8.669 2.991 1.00 74.52 N ATOM 1408 CA TYR A 87 -11.113 9.628 3.476 1.00 45.44 C ATOM 1409 C TYR A 87 -10.970 10.806 2.517 1.00 72.41 C ATOM 1410 O TYR A 87 -11.280 11.951 2.852 1.00 23.41 O ATOM 1411 CB TYR A 87 -9.740 8.954 3.626 1.00 51.43 C ATOM 1412 CG TYR A 87 -9.739 7.688 4.453 1.00 74.42 C ATOM 1413 CD1 TYR A 87 -9.559 7.727 5.831 1.00 22.15 C ATOM 1414 CD2 TYR A 87 -9.904 6.446 3.850 1.00 21.22 C ATOM 1415 CE1 TYR A 87 -9.537 6.567 6.579 1.00 0.30 C ATOM 1416 CE2 TYR A 87 -9.889 5.286 4.594 1.00 71.25 C ATOM 1417 CZ TYR A 87 -9.704 5.350 5.955 1.00 62.02 C ATOM 1418 OH TYR A 87 -9.671 4.192 6.694 1.00 62.45 O ATOM 0 H TYR A 87 -11.798 8.119 2.188 1.00 74.52 H new ATOM 0 HA TYR A 87 -11.460 9.990 4.444 1.00 45.44 H new ATOM 0 HB2 TYR A 87 -9.355 8.722 2.633 1.00 51.43 H new ATOM 0 HB3 TYR A 87 -9.049 9.666 4.078 1.00 51.43 H new ATOM 0 HD1 TYR A 87 -9.434 8.680 6.324 1.00 22.15 H new ATOM 0 HD2 TYR A 87 -10.046 6.389 2.781 1.00 21.22 H new ATOM 0 HE1 TYR A 87 -9.390 6.613 7.648 1.00 0.30 H new ATOM 0 HE2 TYR A 87 -10.022 4.330 4.110 1.00 71.25 H new ATOM 0 HH TYR A 87 -9.087 3.540 6.254 1.00 62.45 H new ATOM 1428 N CYS A 88 -10.506 10.502 1.311 1.00 64.13 N ATOM 1429 CA CYS A 88 -10.070 11.519 0.365 1.00 41.32 C ATOM 1430 C CYS A 88 -11.061 11.659 -0.787 1.00 54.42 C ATOM 1431 O CYS A 88 -11.258 10.727 -1.567 1.00 71.32 O ATOM 1432 CB CYS A 88 -8.682 11.149 -0.169 1.00 65.40 C ATOM 1433 SG CYS A 88 -7.666 12.576 -0.643 1.00 61.01 S ATOM 0 H CYS A 88 -10.422 9.547 0.963 1.00 64.13 H new ATOM 0 HA CYS A 88 -10.021 12.479 0.878 1.00 41.32 H new ATOM 0 HB2 CYS A 88 -8.152 10.576 0.592 1.00 65.40 H new ATOM 0 HB3 CYS A 88 -8.799 10.497 -1.034 1.00 65.40 H new ATOM 1438 N ASN A 89 -11.701 12.823 -0.877 1.00 64.45 N ATOM 1439 CA ASN A 89 -12.628 13.123 -1.971 1.00 74.12 C ATOM 1440 C ASN A 89 -11.997 14.121 -2.938 1.00 2.33 C ATOM 1441 O ASN A 89 -12.195 14.043 -4.151 1.00 44.11 O ATOM 1442 CB ASN A 89 -13.951 13.704 -1.430 1.00 33.24 C ATOM 1443 CG ASN A 89 -14.818 12.688 -0.693 1.00 23.45 C ATOM 1444 OD1 ASN A 89 -14.200 11.753 0.012 1.00 60.31 O flip ATOM 1445 ND2 ASN A 89 -16.045 12.761 -0.740 1.00 72.50 N flip ATOM 0 H ASN A 89 -11.595 13.580 -0.201 1.00 64.45 H new ATOM 0 HA ASN A 89 -12.841 12.191 -2.495 1.00 74.12 H new ATOM 0 HB2 ASN A 89 -13.725 14.530 -0.756 1.00 33.24 H new ATOM 0 HB3 ASN A 89 -14.521 14.118 -2.262 1.00 33.24 H new ATOM 0 HD21 ASN A 89 -16.492 13.493 -1.292 1.00 72.50 H new ATOM 0 HD22 ASN A 89 -16.616 12.089 -0.227 1.00 72.50 H new ATOM 1452 N PHE A 90 -11.221 15.054 -2.389 1.00 42.00 N ATOM 1453 CA PHE A 90 -10.669 16.167 -3.165 1.00 52.14 C ATOM 1454 C PHE A 90 -9.200 15.929 -3.512 1.00 13.01 C ATOM 1455 O PHE A 90 -8.521 16.824 -4.022 1.00 60.31 O ATOM 1456 CB PHE A 90 -10.811 17.474 -2.371 1.00 54.42 C ATOM 1457 CG PHE A 90 -12.193 17.675 -1.792 1.00 22.45 C ATOM 1458 CD1 PHE A 90 -13.293 17.837 -2.622 1.00 24.40 C ATOM 1459 CD2 PHE A 90 -12.389 17.688 -0.418 1.00 2.20 C ATOM 1460 CE1 PHE A 90 -14.557 18.008 -2.092 1.00 12.35 C ATOM 1461 CE2 PHE A 90 -13.651 17.862 0.115 1.00 75.33 C ATOM 1462 CZ PHE A 90 -14.738 18.022 -0.724 1.00 52.51 C ATOM 0 H PHE A 90 -10.958 15.062 -1.403 1.00 42.00 H new ATOM 0 HA PHE A 90 -11.229 16.240 -4.097 1.00 52.14 H new ATOM 0 HB2 PHE A 90 -10.081 17.480 -1.561 1.00 54.42 H new ATOM 0 HB3 PHE A 90 -10.572 18.315 -3.022 1.00 54.42 H new ATOM 0 HD1 PHE A 90 -13.159 17.829 -3.694 1.00 24.40 H new ATOM 0 HD2 PHE A 90 -11.544 17.560 0.242 1.00 2.20 H new ATOM 0 HE1 PHE A 90 -15.405 18.131 -2.749 1.00 12.35 H new ATOM 0 HE2 PHE A 90 -13.789 17.873 1.186 1.00 75.33 H new ATOM 0 HZ PHE A 90 -15.726 18.158 -0.310 1.00 52.51 H new ATOM 1472 N GLY A 91 -8.717 14.721 -3.244 1.00 11.33 N ATOM 1473 CA GLY A 91 -7.333 14.386 -3.534 1.00 23.25 C ATOM 1474 C GLY A 91 -6.379 14.833 -2.434 1.00 42.10 C ATOM 1475 O GLY A 91 -6.331 16.014 -2.079 1.00 12.11 O ATOM 0 H GLY A 91 -9.261 13.964 -2.829 1.00 11.33 H new ATOM 0 HA2 GLY A 91 -7.245 13.308 -3.670 1.00 23.25 H new ATOM 0 HA3 GLY A 91 -7.040 14.851 -4.475 1.00 23.25 H new ATOM 1479 N CYS A 92 -5.618 13.882 -1.902 1.00 61.35 N ATOM 1480 CA CYS A 92 -4.667 14.149 -0.828 1.00 13.14 C ATOM 1481 C CYS A 92 -3.605 13.048 -0.786 1.00 34.31 C ATOM 1482 O CYS A 92 -3.496 12.252 -1.722 1.00 63.05 O ATOM 1483 CB CYS A 92 -5.406 14.251 0.513 1.00 41.23 C ATOM 1484 SG CYS A 92 -6.397 12.780 0.930 1.00 54.30 S ATOM 0 H CYS A 92 -5.643 12.907 -2.202 1.00 61.35 H new ATOM 0 HA CYS A 92 -4.168 15.099 -1.016 1.00 13.14 H new ATOM 0 HB2 CYS A 92 -4.677 14.421 1.305 1.00 41.23 H new ATOM 0 HB3 CYS A 92 -6.061 15.122 0.490 1.00 41.23 H new ATOM 1489 N ALA A 93 -2.827 13.008 0.291 1.00 3.34 N ATOM 1490 CA ALA A 93 -1.712 12.071 0.409 1.00 71.53 C ATOM 1491 C ALA A 93 -2.187 10.624 0.589 1.00 22.02 C ATOM 1492 O ALA A 93 -2.811 10.283 1.598 1.00 35.14 O ATOM 1493 CB ALA A 93 -0.807 12.480 1.565 1.00 4.52 C ATOM 0 H ALA A 93 -2.948 13.617 1.100 1.00 3.34 H new ATOM 0 HA ALA A 93 -1.150 12.111 -0.524 1.00 71.53 H new ATOM 0 HB1 ALA A 93 0.021 11.776 1.645 1.00 4.52 H new ATOM 0 HB2 ALA A 93 -0.416 13.481 1.384 1.00 4.52 H new ATOM 0 HB3 ALA A 93 -1.378 12.476 2.493 1.00 4.52 H new ATOM 1499 N TYR A 94 -1.889 9.787 -0.409 1.00 43.41 N ATOM 1500 CA TYR A 94 -2.098 8.341 -0.323 1.00 24.44 C ATOM 1501 C TYR A 94 -1.356 7.646 -1.467 1.00 4.34 C ATOM 1502 O TYR A 94 -0.900 8.308 -2.405 1.00 42.23 O ATOM 1503 CB TYR A 94 -3.598 7.981 -0.347 1.00 2.02 C ATOM 1504 CG TYR A 94 -4.295 8.218 -1.679 1.00 52.44 C ATOM 1505 CD1 TYR A 94 -4.895 9.439 -1.971 1.00 74.45 C ATOM 1506 CD2 TYR A 94 -4.362 7.210 -2.637 1.00 25.03 C ATOM 1507 CE1 TYR A 94 -5.539 9.648 -3.177 1.00 70.35 C ATOM 1508 CE2 TYR A 94 -5.001 7.412 -3.842 1.00 11.40 C ATOM 1509 CZ TYR A 94 -5.588 8.632 -4.108 1.00 33.30 C ATOM 1510 OH TYR A 94 -6.224 8.827 -5.311 1.00 65.52 O ATOM 0 H TYR A 94 -1.496 10.094 -1.299 1.00 43.41 H new ATOM 0 HA TYR A 94 -1.699 7.993 0.629 1.00 24.44 H new ATOM 0 HB2 TYR A 94 -3.708 6.930 -0.078 1.00 2.02 H new ATOM 0 HB3 TYR A 94 -4.108 8.562 0.421 1.00 2.02 H new ATOM 0 HD1 TYR A 94 -4.857 10.237 -1.244 1.00 74.45 H new ATOM 0 HD2 TYR A 94 -3.905 6.253 -2.433 1.00 25.03 H new ATOM 0 HE1 TYR A 94 -6.001 10.601 -3.388 1.00 70.35 H new ATOM 0 HE2 TYR A 94 -5.042 6.619 -4.574 1.00 11.40 H new ATOM 0 HH TYR A 94 -6.164 8.010 -5.849 1.00 65.52 H new ATOM 1520 N PHE A 95 -1.228 6.320 -1.391 1.00 70.34 N ATOM 1521 CA PHE A 95 -0.506 5.557 -2.413 1.00 3.14 C ATOM 1522 C PHE A 95 -1.022 4.119 -2.513 1.00 44.23 C ATOM 1523 O PHE A 95 -1.704 3.634 -1.608 1.00 64.55 O ATOM 1524 CB PHE A 95 0.998 5.557 -2.111 1.00 42.15 C ATOM 1525 CG PHE A 95 1.365 4.921 -0.788 1.00 21.11 C ATOM 1526 CD1 PHE A 95 1.292 5.645 0.393 1.00 11.24 C ATOM 1527 CD2 PHE A 95 1.789 3.599 -0.729 1.00 12.35 C ATOM 1528 CE1 PHE A 95 1.633 5.068 1.600 1.00 64.44 C ATOM 1529 CE2 PHE A 95 2.130 3.018 0.477 1.00 72.41 C ATOM 1530 CZ PHE A 95 2.053 3.753 1.642 1.00 52.23 C ATOM 0 H PHE A 95 -1.613 5.753 -0.636 1.00 70.34 H new ATOM 0 HA PHE A 95 -0.681 6.042 -3.373 1.00 3.14 H new ATOM 0 HB2 PHE A 95 1.518 5.030 -2.911 1.00 42.15 H new ATOM 0 HB3 PHE A 95 1.359 6.585 -2.119 1.00 42.15 H new ATOM 0 HD1 PHE A 95 0.964 6.674 0.368 1.00 11.24 H new ATOM 0 HD2 PHE A 95 1.853 3.018 -1.637 1.00 12.35 H new ATOM 0 HE1 PHE A 95 1.571 5.645 2.511 1.00 64.44 H new ATOM 0 HE2 PHE A 95 2.457 1.989 0.508 1.00 72.41 H new ATOM 0 HZ PHE A 95 2.321 3.301 2.585 1.00 52.23 H new ATOM 1540 N VAL A 96 -0.680 3.450 -3.622 1.00 52.40 N ATOM 1541 CA VAL A 96 -1.105 2.070 -3.883 1.00 72.52 C ATOM 1542 C VAL A 96 0.068 1.253 -4.456 1.00 63.53 C ATOM 1543 O VAL A 96 0.746 1.701 -5.390 1.00 4.23 O ATOM 1544 CB VAL A 96 -2.287 2.015 -4.895 1.00 5.43 C ATOM 1545 CG1 VAL A 96 -2.788 0.580 -5.071 1.00 4.34 C ATOM 1546 CG2 VAL A 96 -3.429 2.943 -4.470 1.00 32.44 C ATOM 0 H VAL A 96 -0.102 3.850 -4.361 1.00 52.40 H new ATOM 0 HA VAL A 96 -1.434 1.648 -2.933 1.00 72.52 H new ATOM 0 HB VAL A 96 -1.915 2.366 -5.857 1.00 5.43 H new ATOM 0 HG11 VAL A 96 -3.614 0.568 -5.783 1.00 4.34 H new ATOM 0 HG12 VAL A 96 -1.977 -0.045 -5.445 1.00 4.34 H new ATOM 0 HG13 VAL A 96 -3.131 0.194 -4.111 1.00 4.34 H new ATOM 0 HG21 VAL A 96 -4.238 2.881 -5.198 1.00 32.44 H new ATOM 0 HG22 VAL A 96 -3.798 2.640 -3.490 1.00 32.44 H new ATOM 0 HG23 VAL A 96 -3.064 3.969 -4.419 1.00 32.44 H new ATOM 1556 N LEU A 97 0.297 0.065 -3.893 1.00 71.24 N ATOM 1557 CA LEU A 97 1.367 -0.834 -4.345 1.00 72.42 C ATOM 1558 C LEU A 97 0.799 -2.189 -4.785 1.00 71.23 C ATOM 1559 O LEU A 97 -0.142 -2.702 -4.175 1.00 4.41 O ATOM 1560 CB LEU A 97 2.407 -1.056 -3.224 1.00 52.22 C ATOM 1561 CG LEU A 97 3.633 -0.121 -3.236 1.00 51.22 C ATOM 1562 CD1 LEU A 97 3.237 1.335 -3.043 1.00 33.20 C ATOM 1563 CD2 LEU A 97 4.641 -0.544 -2.168 1.00 65.13 C ATOM 0 H LEU A 97 -0.250 -0.302 -3.114 1.00 71.24 H new ATOM 0 HA LEU A 97 1.853 -0.360 -5.198 1.00 72.42 H new ATOM 0 HB2 LEU A 97 1.903 -0.948 -2.263 1.00 52.22 H new ATOM 0 HB3 LEU A 97 2.761 -2.085 -3.284 1.00 52.22 H new ATOM 0 HG LEU A 97 4.099 -0.208 -4.217 1.00 51.22 H new ATOM 0 HD11 LEU A 97 4.130 1.960 -3.058 1.00 33.20 H new ATOM 0 HD12 LEU A 97 2.568 1.640 -3.847 1.00 33.20 H new ATOM 0 HD13 LEU A 97 2.729 1.450 -2.085 1.00 33.20 H new ATOM 0 HD21 LEU A 97 5.499 0.127 -2.192 1.00 65.13 H new ATOM 0 HD22 LEU A 97 4.171 -0.498 -1.186 1.00 65.13 H new ATOM 0 HD23 LEU A 97 4.972 -1.564 -2.364 1.00 65.13 H new ATOM 1575 N LYS A 98 1.389 -2.759 -5.838 1.00 54.34 N ATOM 1576 CA LYS A 98 1.061 -4.114 -6.302 1.00 31.21 C ATOM 1577 C LYS A 98 2.302 -4.995 -6.215 1.00 30.25 C ATOM 1578 O LYS A 98 3.404 -4.535 -6.512 1.00 10.40 O ATOM 1579 CB LYS A 98 0.564 -4.094 -7.760 1.00 74.15 C ATOM 1580 CG LYS A 98 0.396 -5.490 -8.370 1.00 11.41 C ATOM 1581 CD LYS A 98 0.119 -5.437 -9.871 1.00 61.23 C ATOM 1582 CE LYS A 98 0.043 -6.832 -10.488 1.00 55.43 C ATOM 1583 NZ LYS A 98 -1.077 -7.634 -9.932 1.00 2.43 N ATOM 0 H LYS A 98 2.108 -2.297 -6.395 1.00 54.34 H new ATOM 0 HA LYS A 98 0.269 -4.510 -5.666 1.00 31.21 H new ATOM 0 HB2 LYS A 98 -0.391 -3.571 -7.802 1.00 74.15 H new ATOM 0 HB3 LYS A 98 1.267 -3.524 -8.367 1.00 74.15 H new ATOM 0 HG2 LYS A 98 1.299 -6.074 -8.190 1.00 11.41 H new ATOM 0 HG3 LYS A 98 -0.423 -6.007 -7.870 1.00 11.41 H new ATOM 0 HD2 LYS A 98 -0.819 -4.911 -10.048 1.00 61.23 H new ATOM 0 HD3 LYS A 98 0.904 -4.864 -10.365 1.00 61.23 H new ATOM 0 HE2 LYS A 98 -0.078 -6.743 -11.568 1.00 55.43 H new ATOM 0 HE3 LYS A 98 0.983 -7.355 -10.314 1.00 55.43 H new ATOM 0 HZ1 LYS A 98 -1.592 -8.097 -10.708 1.00 2.43 H new ATOM 0 HZ2 LYS A 98 -0.699 -8.358 -9.287 1.00 2.43 H new ATOM 0 HZ3 LYS A 98 -1.725 -7.010 -9.410 1.00 2.43 H new ATOM 1597 N ARG A 99 2.134 -6.249 -5.805 1.00 22.45 N ATOM 1598 CA ARG A 99 3.255 -7.183 -5.762 1.00 21.21 C ATOM 1599 C ARG A 99 3.447 -7.858 -7.119 1.00 21.10 C ATOM 1600 O ARG A 99 2.534 -8.499 -7.641 1.00 3.43 O ATOM 1601 CB ARG A 99 3.068 -8.230 -4.657 1.00 25.00 C ATOM 1602 CG ARG A 99 4.217 -9.239 -4.581 1.00 10.51 C ATOM 1603 CD ARG A 99 4.376 -9.839 -3.192 1.00 75.41 C ATOM 1604 NE ARG A 99 3.184 -10.549 -2.748 1.00 14.53 N ATOM 1605 CZ ARG A 99 2.949 -10.896 -1.484 1.00 10.05 C ATOM 1606 NH1 ARG A 99 3.826 -10.598 -0.535 1.00 33.25 N ATOM 1607 NH2 ARG A 99 1.840 -11.545 -1.169 1.00 73.14 N ATOM 0 H ARG A 99 1.242 -6.639 -5.501 1.00 22.45 H new ATOM 0 HA ARG A 99 4.154 -6.613 -5.530 1.00 21.21 H new ATOM 0 HB2 ARG A 99 2.975 -7.723 -3.697 1.00 25.00 H new ATOM 0 HB3 ARG A 99 2.134 -8.765 -4.827 1.00 25.00 H new ATOM 0 HG2 ARG A 99 4.042 -10.039 -5.301 1.00 10.51 H new ATOM 0 HG3 ARG A 99 5.147 -8.748 -4.870 1.00 10.51 H new ATOM 0 HD2 ARG A 99 5.224 -10.524 -3.191 1.00 75.41 H new ATOM 0 HD3 ARG A 99 4.607 -9.045 -2.482 1.00 75.41 H new ATOM 0 HE ARG A 99 2.486 -10.796 -3.449 1.00 14.53 H new ATOM 0 HH11 ARG A 99 4.685 -10.101 -0.772 1.00 33.25 H new ATOM 0 HH12 ARG A 99 3.642 -10.866 0.432 1.00 33.25 H new ATOM 0 HH21 ARG A 99 1.163 -11.780 -1.895 1.00 73.14 H new ATOM 0 HH22 ARG A 99 1.662 -11.810 -0.200 1.00 73.14 H new ATOM 1621 N ILE A 100 4.645 -7.701 -7.674 1.00 25.32 N ATOM 1622 CA ILE A 100 4.985 -8.240 -8.988 1.00 2.22 C ATOM 1623 C ILE A 100 4.977 -9.766 -8.980 1.00 45.33 C ATOM 1624 O ILE A 100 4.809 -10.396 -10.023 1.00 20.31 O ATOM 1625 CB ILE A 100 6.386 -7.748 -9.446 1.00 23.21 C ATOM 1626 CG1 ILE A 100 6.501 -6.225 -9.286 1.00 41.51 C ATOM 1627 CG2 ILE A 100 6.667 -8.153 -10.893 1.00 51.12 C ATOM 1628 CD1 ILE A 100 5.403 -5.449 -9.982 1.00 44.43 C ATOM 0 H ILE A 100 5.409 -7.196 -7.225 1.00 25.32 H new ATOM 0 HA ILE A 100 4.227 -7.881 -9.685 1.00 2.22 H new ATOM 0 HB ILE A 100 7.132 -8.224 -8.810 1.00 23.21 H new ATOM 0 HG12 ILE A 100 6.489 -5.979 -8.224 1.00 41.51 H new ATOM 0 HG13 ILE A 100 7.465 -5.900 -9.677 1.00 41.51 H new ATOM 0 HG21 ILE A 100 7.654 -7.795 -11.186 1.00 51.12 H new ATOM 0 HG22 ILE A 100 6.634 -9.239 -10.980 1.00 51.12 H new ATOM 0 HG23 ILE A 100 5.913 -7.714 -11.547 1.00 51.12 H new ATOM 0 HD11 ILE A 100 5.554 -4.381 -9.822 1.00 44.43 H new ATOM 0 HD12 ILE A 100 5.427 -5.663 -11.051 1.00 44.43 H new ATOM 0 HD13 ILE A 100 4.436 -5.743 -9.575 1.00 44.43 H new ATOM 1640 N ARG A 101 5.193 -10.346 -7.796 1.00 21.00 N ATOM 1641 CA ARG A 101 5.234 -11.806 -7.610 1.00 44.51 C ATOM 1642 C ARG A 101 6.554 -12.397 -8.119 1.00 62.34 C ATOM 1643 O ARG A 101 7.079 -13.352 -7.542 1.00 41.24 O ATOM 1644 CB ARG A 101 4.039 -12.496 -8.300 1.00 33.31 C ATOM 1645 CG ARG A 101 4.138 -14.021 -8.331 1.00 63.41 C ATOM 1646 CD ARG A 101 3.011 -14.654 -9.138 1.00 45.10 C ATOM 1647 NE ARG A 101 3.236 -16.087 -9.331 1.00 31.42 N ATOM 1648 CZ ARG A 101 2.330 -16.940 -9.801 1.00 71.41 C ATOM 1649 NH1 ARG A 101 1.125 -16.513 -10.160 1.00 50.33 N ATOM 1650 NH2 ARG A 101 2.647 -18.219 -9.935 1.00 40.12 N ATOM 0 H ARG A 101 5.345 -9.819 -6.936 1.00 21.00 H new ATOM 0 HA ARG A 101 5.165 -11.994 -6.539 1.00 44.51 H new ATOM 0 HB2 ARG A 101 3.121 -12.212 -7.785 1.00 33.31 H new ATOM 0 HB3 ARG A 101 3.959 -12.126 -9.322 1.00 33.31 H new ATOM 0 HG2 ARG A 101 5.097 -14.313 -8.759 1.00 63.41 H new ATOM 0 HG3 ARG A 101 4.113 -14.406 -7.312 1.00 63.41 H new ATOM 0 HD2 ARG A 101 2.062 -14.498 -8.625 1.00 45.10 H new ATOM 0 HD3 ARG A 101 2.934 -14.162 -10.108 1.00 45.10 H new ATOM 0 HE ARG A 101 4.154 -16.459 -9.087 1.00 31.42 H new ATOM 0 HH11 ARG A 101 0.888 -15.524 -10.076 1.00 50.33 H new ATOM 0 HH12 ARG A 101 0.436 -17.174 -10.519 1.00 50.33 H new ATOM 0 HH21 ARG A 101 3.580 -18.543 -9.679 1.00 40.12 H new ATOM 0 HH22 ARG A 101 1.958 -18.880 -10.295 1.00 40.12 H new ATOM 1664 N LYS A 102 7.105 -11.801 -9.178 1.00 4.15 N ATOM 1665 CA LYS A 102 8.310 -12.306 -9.840 1.00 61.33 C ATOM 1666 C LYS A 102 9.580 -12.020 -9.025 1.00 34.33 C ATOM 1667 O LYS A 102 10.675 -11.920 -9.585 1.00 4.01 O ATOM 1668 CB LYS A 102 8.425 -11.674 -11.237 1.00 4.32 C ATOM 1669 CG LYS A 102 7.179 -11.868 -12.100 1.00 12.03 C ATOM 1670 CD LYS A 102 7.304 -11.172 -13.454 1.00 52.24 C ATOM 1671 CE LYS A 102 6.022 -11.282 -14.275 1.00 54.21 C ATOM 1672 NZ LYS A 102 5.652 -12.699 -14.554 1.00 11.35 N ATOM 0 H LYS A 102 6.728 -10.953 -9.602 1.00 4.15 H new ATOM 0 HA LYS A 102 8.219 -13.389 -9.925 1.00 61.33 H new ATOM 0 HB2 LYS A 102 8.620 -10.607 -11.129 1.00 4.32 H new ATOM 0 HB3 LYS A 102 9.284 -12.104 -11.752 1.00 4.32 H new ATOM 0 HG2 LYS A 102 7.008 -12.933 -12.255 1.00 12.03 H new ATOM 0 HG3 LYS A 102 6.308 -11.479 -11.572 1.00 12.03 H new ATOM 0 HD2 LYS A 102 7.547 -10.121 -13.300 1.00 52.24 H new ATOM 0 HD3 LYS A 102 8.131 -11.611 -14.012 1.00 52.24 H new ATOM 0 HE2 LYS A 102 5.207 -10.794 -13.740 1.00 54.21 H new ATOM 0 HE3 LYS A 102 6.149 -10.749 -15.217 1.00 54.21 H new ATOM 0 HZ1 LYS A 102 4.846 -12.724 -15.211 1.00 11.35 H new ATOM 0 HZ2 LYS A 102 6.462 -13.192 -14.981 1.00 11.35 H new ATOM 0 HZ3 LYS A 102 5.389 -13.171 -13.665 1.00 11.35 H new ATOM 1686 N LEU A 103 9.426 -11.902 -7.706 1.00 35.35 N ATOM 1687 CA LEU A 103 10.552 -11.731 -6.796 1.00 0.03 C ATOM 1688 C LEU A 103 11.536 -12.886 -6.982 1.00 23.34 C ATOM 1689 O LEU A 103 11.170 -14.056 -6.828 1.00 11.12 O ATOM 1690 CB LEU A 103 10.033 -11.666 -5.341 1.00 24.21 C ATOM 1691 CG LEU A 103 11.071 -11.413 -4.216 1.00 64.40 C ATOM 1692 CD1 LEU A 103 11.894 -12.663 -3.897 1.00 52.35 C ATOM 1693 CD2 LEU A 103 11.985 -10.237 -4.557 1.00 40.24 C ATOM 0 H LEU A 103 8.518 -11.923 -7.242 1.00 35.35 H new ATOM 0 HA LEU A 103 11.073 -10.799 -7.015 1.00 0.03 H new ATOM 0 HB2 LEU A 103 9.282 -10.878 -5.288 1.00 24.21 H new ATOM 0 HB3 LEU A 103 9.525 -12.606 -5.124 1.00 24.21 H new ATOM 0 HG LEU A 103 10.505 -11.158 -3.320 1.00 64.40 H new ATOM 0 HD11 LEU A 103 12.607 -12.437 -3.104 1.00 52.35 H new ATOM 0 HD12 LEU A 103 11.229 -13.463 -3.570 1.00 52.35 H new ATOM 0 HD13 LEU A 103 12.433 -12.981 -4.789 1.00 52.35 H new ATOM 0 HD21 LEU A 103 12.701 -10.086 -3.749 1.00 40.24 H new ATOM 0 HD22 LEU A 103 12.522 -10.449 -5.482 1.00 40.24 H new ATOM 0 HD23 LEU A 103 11.386 -9.335 -4.684 1.00 40.24 H new