USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=17 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 48 TYR OH : rot 100:sc= -0.0314 USER MOD Set 1.2: A 98 LYS NZ :NH3+ -162:sc= 1.73 (180deg=-0.203) USER MOD Set 2.1: A 24 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-2.6!) USER MOD Set 2.2: A 94 TYR OH : rot 156:sc= 0.0344 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0578 X(o=-0.058,f=-0.49) USER MOD Single : A 17 ASN : amide:sc= -0.0352 K(o=-0.035,f=-1.2!) USER MOD Single : A 25 ASN : amide:sc= -2.06! C(o=-2.1!,f=-3.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -2.74 K(o=-2.7,f=-4!) USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0221) USER MOD Single : A 39 TYR OH : rot 74:sc= -0.309 USER MOD Single : A 40 SER OG : rot 180:sc=-0.00291 USER MOD Single : A 44 ASN : amide:sc= 0.839 K(o=0.84,f=-3.8!) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= -0.0988 (180deg=-0.487) 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 K(o=0,f=-0.94) USER MOD Single : A 61 LYS NZ :NH3+ -135:sc= 0.621 (180deg=-0.373) USER MOD Single : A 75 THR OG1 : rot -24:sc= 0.222 USER MOD Single : A 76 LYS NZ :NH3+ 162:sc= 0.618 (180deg=0.3) USER MOD Single : A 78 SER OG : rot 88:sc= 0.541 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -153:sc= 0.558 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0.0135 X(o=0.014,f=-0.22) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 135 N GLY A 9 10.022 -1.775 -13.628 1.00 31.10 N ATOM 136 CA GLY A 9 9.363 -1.098 -12.528 1.00 3.45 C ATOM 137 C GLY A 9 10.060 0.201 -12.166 1.00 55.03 C ATOM 138 O GLY A 9 11.208 0.185 -11.712 1.00 12.55 O ATOM 0 HA2 GLY A 9 8.327 -0.892 -12.797 1.00 3.45 H new ATOM 0 HA3 GLY A 9 9.342 -1.754 -11.658 1.00 3.45 H new ATOM 142 N GLU A 10 9.377 1.324 -12.379 1.00 54.11 N ATOM 143 CA GLU A 10 9.946 2.642 -12.089 1.00 55.24 C ATOM 144 C GLU A 10 10.310 2.752 -10.611 1.00 62.43 C ATOM 145 O GLU A 10 11.429 3.137 -10.263 1.00 32.52 O ATOM 146 CB GLU A 10 8.962 3.759 -12.473 1.00 3.40 C ATOM 147 CG GLU A 10 9.499 5.172 -12.225 1.00 51.21 C ATOM 148 CD GLU A 10 8.522 6.263 -12.643 1.00 33.51 C ATOM 149 OE1 GLU A 10 8.568 6.698 -13.816 1.00 2.11 O ATOM 150 OE2 GLU A 10 7.700 6.691 -11.802 1.00 24.44 O ATOM 0 H GLU A 10 8.428 1.349 -12.752 1.00 54.11 H new ATOM 0 HA GLU A 10 10.851 2.758 -12.685 1.00 55.24 H new ATOM 0 HB2 GLU A 10 8.707 3.658 -13.528 1.00 3.40 H new ATOM 0 HB3 GLU A 10 8.039 3.627 -11.908 1.00 3.40 H new ATOM 0 HG2 GLU A 10 9.730 5.286 -11.166 1.00 51.21 H new ATOM 0 HG3 GLU A 10 10.434 5.300 -12.771 1.00 51.21 H new ATOM 157 N ILE A 11 9.363 2.405 -9.742 1.00 10.04 N ATOM 158 CA ILE A 11 9.582 2.441 -8.298 1.00 34.45 C ATOM 159 C ILE A 11 9.211 1.097 -7.677 1.00 50.15 C ATOM 160 O ILE A 11 8.031 0.786 -7.486 1.00 51.40 O ATOM 161 CB ILE A 11 8.770 3.580 -7.616 1.00 72.12 C ATOM 162 CG1 ILE A 11 9.162 4.947 -8.209 1.00 3.24 C ATOM 163 CG2 ILE A 11 8.990 3.570 -6.100 1.00 1.21 C ATOM 164 CD1 ILE A 11 8.425 6.123 -7.603 1.00 24.04 C ATOM 0 H ILE A 11 8.431 2.094 -10.015 1.00 10.04 H new ATOM 0 HA ILE A 11 10.640 2.642 -8.132 1.00 34.45 H new ATOM 0 HB ILE A 11 7.711 3.409 -7.808 1.00 72.12 H new ATOM 0 HG12 ILE A 11 10.233 5.095 -8.073 1.00 3.24 H new ATOM 0 HG13 ILE A 11 8.976 4.931 -9.283 1.00 3.24 H new ATOM 0 HG21 ILE A 11 8.413 4.374 -5.643 1.00 1.21 H new ATOM 0 HG22 ILE A 11 8.665 2.613 -5.691 1.00 1.21 H new ATOM 0 HG23 ILE A 11 10.049 3.715 -5.885 1.00 1.21 H new ATOM 0 HD11 ILE A 11 8.760 7.046 -8.077 1.00 24.04 H new ATOM 0 HD12 ILE A 11 7.353 6.002 -7.762 1.00 24.04 H new ATOM 0 HD13 ILE A 11 8.630 6.169 -6.533 1.00 24.04 H new ATOM 176 N MET A 12 10.231 0.300 -7.394 1.00 64.14 N ATOM 177 CA MET A 12 10.065 -1.023 -6.803 1.00 24.40 C ATOM 178 C MET A 12 10.315 -0.966 -5.296 1.00 53.43 C ATOM 179 O MET A 12 11.216 -0.263 -4.830 1.00 11.31 O ATOM 180 CB MET A 12 11.026 -2.025 -7.469 1.00 13.43 C ATOM 181 CG MET A 12 12.489 -1.592 -7.423 1.00 14.43 C ATOM 182 SD MET A 12 12.792 -0.083 -8.370 1.00 73.21 S ATOM 183 CE MET A 12 14.475 0.304 -7.900 1.00 23.14 C ATOM 0 H MET A 12 11.204 0.553 -7.568 1.00 64.14 H new ATOM 0 HA MET A 12 9.041 -1.357 -6.971 1.00 24.40 H new ATOM 0 HB2 MET A 12 10.927 -2.993 -6.977 1.00 13.43 H new ATOM 0 HB3 MET A 12 10.729 -2.164 -8.509 1.00 13.43 H new ATOM 0 HG2 MET A 12 12.785 -1.432 -6.386 1.00 14.43 H new ATOM 0 HG3 MET A 12 13.115 -2.394 -7.814 1.00 14.43 H new ATOM 0 HE1 MET A 12 14.795 1.213 -8.409 1.00 23.14 H new ATOM 0 HE2 MET A 12 14.526 0.455 -6.822 1.00 23.14 H new ATOM 0 HE3 MET A 12 15.130 -0.520 -8.182 1.00 23.14 H new ATOM 193 N ILE A 13 9.503 -1.698 -4.541 1.00 34.20 N ATOM 194 CA ILE A 13 9.604 -1.735 -3.085 1.00 25.41 C ATOM 195 C ILE A 13 9.823 -3.176 -2.629 1.00 64.44 C ATOM 196 O ILE A 13 8.933 -4.014 -2.764 1.00 23.33 O ATOM 197 CB ILE A 13 8.322 -1.176 -2.420 1.00 52.35 C ATOM 198 CG1 ILE A 13 7.947 0.187 -3.031 1.00 30.04 C ATOM 199 CG2 ILE A 13 8.508 -1.055 -0.906 1.00 34.24 C ATOM 200 CD1 ILE A 13 8.986 1.270 -2.827 1.00 5.12 C ATOM 0 H ILE A 13 8.757 -2.282 -4.919 1.00 34.20 H new ATOM 0 HA ILE A 13 10.446 -1.112 -2.784 1.00 25.41 H new ATOM 0 HB ILE A 13 7.506 -1.873 -2.609 1.00 52.35 H new ATOM 0 HG12 ILE A 13 7.779 0.058 -4.100 1.00 30.04 H new ATOM 0 HG13 ILE A 13 7.004 0.519 -2.597 1.00 30.04 H new ATOM 0 HG21 ILE A 13 7.596 -0.660 -0.458 1.00 34.24 H new ATOM 0 HG22 ILE A 13 8.723 -2.038 -0.486 1.00 34.24 H new ATOM 0 HG23 ILE A 13 9.338 -0.381 -0.694 1.00 34.24 H new ATOM 0 HD11 ILE A 13 8.642 2.196 -3.288 1.00 5.12 H new ATOM 0 HD12 ILE A 13 9.139 1.431 -1.760 1.00 5.12 H new ATOM 0 HD13 ILE A 13 9.926 0.964 -3.286 1.00 5.12 H new ATOM 212 N LEU A 14 11.017 -3.465 -2.125 1.00 52.34 N ATOM 213 CA LEU A 14 11.375 -4.820 -1.700 1.00 2.11 C ATOM 214 C LEU A 14 11.552 -4.871 -0.183 1.00 74.41 C ATOM 215 O LEU A 14 12.442 -4.219 0.371 1.00 21.20 O ATOM 216 CB LEU A 14 12.659 -5.292 -2.415 1.00 4.44 C ATOM 217 CG LEU A 14 12.494 -5.742 -3.886 1.00 62.44 C ATOM 218 CD1 LEU A 14 11.989 -4.607 -4.776 1.00 40.42 C ATOM 219 CD2 LEU A 14 13.808 -6.301 -4.429 1.00 73.24 C ATOM 0 H LEU A 14 11.760 -2.777 -1.999 1.00 52.34 H new ATOM 0 HA LEU A 14 10.565 -5.495 -1.976 1.00 2.11 H new ATOM 0 HB2 LEU A 14 13.387 -4.481 -2.384 1.00 4.44 H new ATOM 0 HB3 LEU A 14 13.082 -6.121 -1.848 1.00 4.44 H new ATOM 0 HG LEU A 14 11.742 -6.531 -3.901 1.00 62.44 H new ATOM 0 HD11 LEU A 14 11.887 -4.966 -5.800 1.00 40.42 H new ATOM 0 HD12 LEU A 14 11.020 -4.264 -4.414 1.00 40.42 H new ATOM 0 HD13 LEU A 14 12.699 -3.781 -4.750 1.00 40.42 H new ATOM 0 HD21 LEU A 14 13.671 -6.612 -5.465 1.00 73.24 H new ATOM 0 HD22 LEU A 14 14.579 -5.532 -4.380 1.00 73.24 H new ATOM 0 HD23 LEU A 14 14.113 -7.159 -3.830 1.00 73.24 H new ATOM 231 N ILE A 15 10.689 -5.634 0.488 1.00 70.24 N ATOM 232 CA ILE A 15 10.713 -5.744 1.947 1.00 50.13 C ATOM 233 C ILE A 15 10.199 -7.113 2.401 1.00 24.44 C ATOM 234 O ILE A 15 9.192 -7.594 1.888 1.00 53.03 O ATOM 235 CB ILE A 15 9.856 -4.628 2.603 1.00 13.53 C ATOM 236 CG1 ILE A 15 9.816 -4.806 4.130 1.00 61.12 C ATOM 237 CG2 ILE A 15 8.443 -4.607 2.012 1.00 40.33 C ATOM 238 CD1 ILE A 15 8.912 -3.830 4.846 1.00 21.04 C ATOM 0 H ILE A 15 9.959 -6.189 0.040 1.00 70.24 H new ATOM 0 HA ILE A 15 11.749 -5.629 2.266 1.00 50.13 H new ATOM 0 HB ILE A 15 10.321 -3.666 2.387 1.00 13.53 H new ATOM 0 HG12 ILE A 15 9.489 -5.820 4.357 1.00 61.12 H new ATOM 0 HG13 ILE A 15 10.827 -4.702 4.523 1.00 61.12 H new ATOM 0 HG21 ILE A 15 7.862 -3.817 2.487 1.00 40.33 H new ATOM 0 HG22 ILE A 15 8.500 -4.421 0.940 1.00 40.33 H new ATOM 0 HG23 ILE A 15 7.961 -5.568 2.188 1.00 40.33 H new ATOM 0 HD11 ILE A 15 8.942 -4.025 5.918 1.00 21.04 H new ATOM 0 HD12 ILE A 15 9.250 -2.812 4.653 1.00 21.04 H new ATOM 0 HD13 ILE A 15 7.890 -3.948 4.485 1.00 21.04 H new ATOM 250 N GLN A 16 10.899 -7.733 3.360 1.00 10.42 N ATOM 251 CA GLN A 16 10.503 -9.038 3.914 1.00 32.21 C ATOM 252 C GLN A 16 10.392 -10.088 2.807 1.00 4.35 C ATOM 253 O GLN A 16 9.540 -10.979 2.857 1.00 4.14 O ATOM 254 CB GLN A 16 9.169 -8.919 4.675 1.00 3.55 C ATOM 255 CG GLN A 16 9.218 -8.002 5.899 1.00 51.51 C ATOM 256 CD GLN A 16 10.233 -8.450 6.939 1.00 13.44 C ATOM 257 OE1 GLN A 16 10.507 -9.642 7.087 1.00 73.34 O ATOM 258 NE2 GLN A 16 10.792 -7.499 7.674 1.00 40.24 N ATOM 0 H GLN A 16 11.749 -7.349 3.772 1.00 10.42 H new ATOM 0 HA GLN A 16 11.276 -9.358 4.613 1.00 32.21 H new ATOM 0 HB2 GLN A 16 8.406 -8.550 3.990 1.00 3.55 H new ATOM 0 HB3 GLN A 16 8.857 -9.913 4.994 1.00 3.55 H new ATOM 0 HG2 GLN A 16 9.459 -6.989 5.577 1.00 51.51 H new ATOM 0 HG3 GLN A 16 8.230 -7.964 6.357 1.00 51.51 H new ATOM 0 HE21 GLN A 16 10.540 -6.522 7.522 1.00 40.24 H new ATOM 0 HE22 GLN A 16 11.475 -7.744 8.391 1.00 40.24 H new ATOM 267 N ASN A 17 11.278 -9.978 1.819 1.00 15.30 N ATOM 268 CA ASN A 17 11.271 -10.852 0.639 1.00 32.21 C ATOM 269 C ASN A 17 9.952 -10.747 -0.131 1.00 14.21 C ATOM 270 O ASN A 17 9.634 -11.604 -0.960 1.00 4.31 O ATOM 271 CB ASN A 17 11.561 -12.317 1.013 1.00 12.42 C ATOM 272 CG ASN A 17 13.026 -12.571 1.345 1.00 45.44 C ATOM 273 OD1 ASN A 17 13.922 -11.898 0.830 1.00 4.22 O ATOM 274 ND2 ASN A 17 13.280 -13.558 2.192 1.00 64.53 N ATOM 0 H ASN A 17 12.023 -9.281 1.810 1.00 15.30 H new ATOM 0 HA ASN A 17 12.073 -10.507 -0.013 1.00 32.21 H new ATOM 0 HB2 ASN A 17 10.947 -12.595 1.870 1.00 12.42 H new ATOM 0 HB3 ASN A 17 11.265 -12.962 0.186 1.00 12.42 H new ATOM 0 HD21 ASN A 17 14.244 -13.783 2.438 1.00 64.53 H new ATOM 0 HD22 ASN A 17 12.512 -14.092 2.598 1.00 64.53 H new ATOM 281 N ALA A 18 9.198 -9.691 0.138 1.00 44.15 N ATOM 282 CA ALA A 18 7.991 -9.379 -0.612 1.00 63.02 C ATOM 283 C ALA A 18 8.284 -8.223 -1.560 1.00 61.32 C ATOM 284 O ALA A 18 8.819 -7.192 -1.143 1.00 15.23 O ATOM 285 CB ALA A 18 6.846 -9.036 0.335 1.00 60.31 C ATOM 0 H ALA A 18 9.406 -9.026 0.883 1.00 44.15 H new ATOM 0 HA ALA A 18 7.685 -10.249 -1.193 1.00 63.02 H new ATOM 0 HB1 ALA A 18 5.952 -8.805 -0.244 1.00 60.31 H new ATOM 0 HB2 ALA A 18 6.647 -9.886 0.988 1.00 60.31 H new ATOM 0 HB3 ALA A 18 7.120 -8.171 0.939 1.00 60.31 H new ATOM 291 N GLU A 19 7.963 -8.407 -2.831 1.00 64.10 N ATOM 292 CA GLU A 19 8.274 -7.419 -3.856 1.00 23.40 C ATOM 293 C GLU A 19 7.010 -6.666 -4.257 1.00 52.55 C ATOM 294 O GLU A 19 5.967 -7.274 -4.483 1.00 23.02 O ATOM 295 CB GLU A 19 8.893 -8.119 -5.073 1.00 33.22 C ATOM 296 CG GLU A 19 9.446 -7.173 -6.137 1.00 3.21 C ATOM 297 CD GLU A 19 10.160 -7.913 -7.261 1.00 3.32 C ATOM 298 OE1 GLU A 19 9.506 -8.695 -7.985 1.00 14.50 O ATOM 299 OE2 GLU A 19 11.383 -7.721 -7.428 1.00 72.13 O ATOM 0 H GLU A 19 7.484 -9.237 -3.181 1.00 64.10 H new ATOM 0 HA GLU A 19 8.991 -6.700 -3.460 1.00 23.40 H new ATOM 0 HB2 GLU A 19 9.697 -8.770 -4.731 1.00 33.22 H new ATOM 0 HB3 GLU A 19 8.138 -8.758 -5.531 1.00 33.22 H new ATOM 0 HG2 GLU A 19 8.629 -6.584 -6.555 1.00 3.21 H new ATOM 0 HG3 GLU A 19 10.138 -6.472 -5.671 1.00 3.21 H new ATOM 306 N PHE A 20 7.111 -5.346 -4.322 1.00 33.33 N ATOM 307 CA PHE A 20 5.982 -4.490 -4.686 1.00 11.33 C ATOM 308 C PHE A 20 6.418 -3.454 -5.713 1.00 21.13 C ATOM 309 O PHE A 20 7.614 -3.231 -5.914 1.00 35.02 O ATOM 310 CB PHE A 20 5.426 -3.761 -3.450 1.00 33.12 C ATOM 311 CG PHE A 20 4.859 -4.665 -2.385 1.00 54.22 C ATOM 312 CD1 PHE A 20 5.664 -5.160 -1.370 1.00 25.41 C ATOM 313 CD2 PHE A 20 3.515 -5.009 -2.392 1.00 72.14 C ATOM 314 CE1 PHE A 20 5.142 -5.983 -0.391 1.00 24.01 C ATOM 315 CE2 PHE A 20 2.988 -5.830 -1.414 1.00 0.41 C ATOM 316 CZ PHE A 20 3.803 -6.317 -0.413 1.00 61.54 C ATOM 0 H PHE A 20 7.972 -4.836 -4.126 1.00 33.33 H new ATOM 0 HA PHE A 20 5.203 -5.126 -5.108 1.00 11.33 H new ATOM 0 HB2 PHE A 20 6.223 -3.161 -3.011 1.00 33.12 H new ATOM 0 HB3 PHE A 20 4.647 -3.070 -3.773 1.00 33.12 H new ATOM 0 HD1 PHE A 20 6.712 -4.899 -1.345 1.00 25.41 H new ATOM 0 HD2 PHE A 20 2.872 -4.630 -3.173 1.00 72.14 H new ATOM 0 HE1 PHE A 20 5.781 -6.365 0.391 1.00 24.01 H new ATOM 0 HE2 PHE A 20 1.940 -6.090 -1.433 1.00 0.41 H new ATOM 0 HZ PHE A 20 3.394 -6.959 0.353 1.00 61.54 H new ATOM 326 N GLU A 21 5.446 -2.824 -6.364 1.00 52.24 N ATOM 327 CA GLU A 21 5.705 -1.661 -7.205 1.00 11.15 C ATOM 328 C GLU A 21 4.684 -0.575 -6.885 1.00 71.24 C ATOM 329 O GLU A 21 3.543 -0.871 -6.512 1.00 1.34 O ATOM 330 CB GLU A 21 5.647 -2.002 -8.706 1.00 31.31 C ATOM 331 CG GLU A 21 4.247 -2.333 -9.222 1.00 25.51 C ATOM 332 CD GLU A 21 4.143 -2.264 -10.740 1.00 4.20 C ATOM 333 OE1 GLU A 21 3.918 -1.153 -11.275 1.00 72.02 O ATOM 334 OE2 GLU A 21 4.277 -3.309 -11.407 1.00 24.13 O ATOM 0 H GLU A 21 4.465 -3.102 -6.325 1.00 52.24 H new ATOM 0 HA GLU A 21 6.715 -1.311 -6.991 1.00 11.15 H new ATOM 0 HB2 GLU A 21 6.041 -1.159 -9.274 1.00 31.31 H new ATOM 0 HB3 GLU A 21 6.303 -2.851 -8.899 1.00 31.31 H new ATOM 0 HG2 GLU A 21 3.970 -3.333 -8.889 1.00 25.51 H new ATOM 0 HG3 GLU A 21 3.530 -1.640 -8.782 1.00 25.51 H new ATOM 341 N LEU A 22 5.102 0.676 -7.015 1.00 4.42 N ATOM 342 CA LEU A 22 4.215 1.807 -6.783 1.00 62.32 C ATOM 343 C LEU A 22 3.289 1.993 -7.987 1.00 44.02 C ATOM 344 O LEU A 22 3.701 2.532 -9.018 1.00 51.43 O ATOM 345 CB LEU A 22 5.043 3.078 -6.528 1.00 24.31 C ATOM 346 CG LEU A 22 4.238 4.339 -6.165 1.00 25.45 C ATOM 347 CD1 LEU A 22 3.424 4.126 -4.890 1.00 12.10 C ATOM 348 CD2 LEU A 22 5.169 5.543 -6.012 1.00 14.22 C ATOM 0 H LEU A 22 6.052 0.934 -7.281 1.00 4.42 H new ATOM 0 HA LEU A 22 3.603 1.614 -5.902 1.00 62.32 H new ATOM 0 HB2 LEU A 22 5.747 2.875 -5.721 1.00 24.31 H new ATOM 0 HB3 LEU A 22 5.632 3.290 -7.420 1.00 24.31 H new ATOM 0 HG LEU A 22 3.541 4.539 -6.979 1.00 25.45 H new ATOM 0 HD11 LEU A 22 2.866 5.033 -4.659 1.00 12.10 H new ATOM 0 HD12 LEU A 22 2.728 3.300 -5.036 1.00 12.10 H new ATOM 0 HD13 LEU A 22 4.096 3.893 -4.064 1.00 12.10 H new ATOM 0 HD21 LEU A 22 4.583 6.426 -5.755 1.00 14.22 H new ATOM 0 HD22 LEU A 22 5.893 5.345 -5.221 1.00 14.22 H new ATOM 0 HD23 LEU A 22 5.696 5.717 -6.950 1.00 14.22 H new ATOM 360 N VAL A 23 2.051 1.515 -7.865 1.00 33.13 N ATOM 361 CA VAL A 23 1.090 1.573 -8.970 1.00 42.01 C ATOM 362 C VAL A 23 0.235 2.836 -8.894 1.00 13.50 C ATOM 363 O VAL A 23 -0.337 3.266 -9.895 1.00 43.04 O ATOM 364 CB VAL A 23 0.166 0.323 -9.002 1.00 2.35 C ATOM 365 CG1 VAL A 23 0.986 -0.957 -9.141 1.00 75.30 C ATOM 366 CG2 VAL A 23 -0.724 0.260 -7.764 1.00 35.32 C ATOM 0 H VAL A 23 1.689 1.084 -7.015 1.00 33.13 H new ATOM 0 HA VAL A 23 1.675 1.592 -9.889 1.00 42.01 H new ATOM 0 HB VAL A 23 -0.480 0.412 -9.875 1.00 2.35 H new ATOM 0 HG11 VAL A 23 0.317 -1.817 -9.161 1.00 75.30 H new ATOM 0 HG12 VAL A 23 1.560 -0.922 -10.067 1.00 75.30 H new ATOM 0 HG13 VAL A 23 1.667 -1.047 -8.295 1.00 75.30 H new ATOM 0 HG21 VAL A 23 -1.358 -0.625 -7.816 1.00 35.32 H new ATOM 0 HG22 VAL A 23 -0.102 0.208 -6.871 1.00 35.32 H new ATOM 0 HG23 VAL A 23 -1.349 1.152 -7.719 1.00 35.32 H new ATOM 376 N HIS A 24 0.144 3.425 -7.705 1.00 32.34 N ATOM 377 CA HIS A 24 -0.610 4.664 -7.516 1.00 64.23 C ATOM 378 C HIS A 24 -0.008 5.469 -6.374 1.00 12.11 C ATOM 379 O HIS A 24 0.259 4.929 -5.301 1.00 1.44 O ATOM 380 CB HIS A 24 -2.087 4.364 -7.216 1.00 31.13 C ATOM 381 CG HIS A 24 -2.967 5.584 -7.172 1.00 4.54 C ATOM 382 ND1 HIS A 24 -2.740 6.654 -6.329 1.00 74.22 N ATOM 383 CD2 HIS A 24 -4.073 5.904 -7.885 1.00 54.43 C ATOM 384 CE1 HIS A 24 -3.665 7.574 -6.531 1.00 72.32 C ATOM 385 NE2 HIS A 24 -4.484 7.145 -7.469 1.00 31.04 N ATOM 0 H HIS A 24 0.582 3.066 -6.857 1.00 32.34 H new ATOM 0 HA HIS A 24 -0.554 5.243 -8.438 1.00 64.23 H new ATOM 0 HB2 HIS A 24 -2.469 3.681 -7.975 1.00 31.13 H new ATOM 0 HB3 HIS A 24 -2.154 3.847 -6.259 1.00 31.13 H new ATOM 0 HD2 HIS A 24 -4.545 5.295 -8.642 1.00 54.43 H new ATOM 0 HE1 HIS A 24 -3.738 8.519 -6.014 1.00 72.32 H new ATOM 0 HE2 HIS A 24 -5.292 7.653 -7.828 1.00 31.04 H new ATOM 394 N ASN A 25 0.177 6.760 -6.603 1.00 51.54 N ATOM 395 CA ASN A 25 0.720 7.663 -5.598 1.00 3.42 C ATOM 396 C ASN A 25 0.002 9.004 -5.688 1.00 15.33 C ATOM 397 O ASN A 25 -0.104 9.586 -6.767 1.00 70.33 O ATOM 398 CB ASN A 25 2.233 7.836 -5.812 1.00 74.44 C ATOM 399 CG ASN A 25 2.910 8.674 -4.737 1.00 74.22 C ATOM 400 OD1 ASN A 25 2.429 8.779 -3.605 1.00 14.33 O ATOM 401 ND2 ASN A 25 4.047 9.257 -5.081 1.00 10.12 N ATOM 0 H ASN A 25 -0.045 7.212 -7.490 1.00 51.54 H new ATOM 0 HA ASN A 25 0.564 7.246 -4.603 1.00 3.42 H new ATOM 0 HB2 ASN A 25 2.702 6.852 -5.843 1.00 74.44 H new ATOM 0 HB3 ASN A 25 2.403 8.300 -6.783 1.00 74.44 H new ATOM 0 HD21 ASN A 25 4.559 9.818 -4.400 1.00 10.12 H new ATOM 0 HD22 ASN A 25 4.411 9.146 -6.027 1.00 10.12 H new ATOM 408 N PHE A 26 -0.533 9.466 -4.564 1.00 13.42 N ATOM 409 CA PHE A 26 -1.289 10.717 -4.526 1.00 53.03 C ATOM 410 C PHE A 26 -0.611 11.716 -3.598 1.00 34.14 C ATOM 411 O PHE A 26 -0.285 11.384 -2.456 1.00 64.43 O ATOM 412 CB PHE A 26 -2.730 10.459 -4.064 1.00 31.24 C ATOM 413 CG PHE A 26 -3.596 11.698 -4.033 1.00 22.54 C ATOM 414 CD1 PHE A 26 -3.784 12.457 -5.177 1.00 63.45 C ATOM 415 CD2 PHE A 26 -4.227 12.098 -2.860 1.00 53.34 C ATOM 416 CE1 PHE A 26 -4.584 13.583 -5.156 1.00 10.25 C ATOM 417 CE2 PHE A 26 -5.026 13.227 -2.835 1.00 61.53 C ATOM 418 CZ PHE A 26 -5.206 13.969 -3.986 1.00 73.43 C ATOM 0 H PHE A 26 -0.458 8.993 -3.663 1.00 13.42 H new ATOM 0 HA PHE A 26 -1.316 11.135 -5.532 1.00 53.03 H new ATOM 0 HB2 PHE A 26 -3.187 9.725 -4.727 1.00 31.24 H new ATOM 0 HB3 PHE A 26 -2.708 10.018 -3.067 1.00 31.24 H new ATOM 0 HD1 PHE A 26 -3.299 12.165 -6.097 1.00 63.45 H new ATOM 0 HD2 PHE A 26 -4.092 11.520 -1.958 1.00 53.34 H new ATOM 0 HE1 PHE A 26 -4.723 14.162 -6.057 1.00 10.25 H new ATOM 0 HE2 PHE A 26 -5.508 13.528 -1.917 1.00 61.53 H new ATOM 0 HZ PHE A 26 -5.832 14.849 -3.970 1.00 73.43 H new ATOM 428 N LYS A 27 -0.375 12.924 -4.115 1.00 3.20 N ATOM 429 CA LYS A 27 0.234 14.006 -3.341 1.00 41.51 C ATOM 430 C LYS A 27 1.630 13.598 -2.862 1.00 41.54 C ATOM 431 O LYS A 27 2.165 14.166 -1.906 1.00 61.14 O ATOM 432 CB LYS A 27 -0.661 14.384 -2.145 1.00 44.32 C ATOM 433 CG LYS A 27 -2.061 14.891 -2.509 1.00 41.11 C ATOM 434 CD LYS A 27 -2.040 16.155 -3.377 1.00 34.31 C ATOM 435 CE LYS A 27 -2.078 15.839 -4.872 1.00 42.41 C ATOM 436 NZ LYS A 27 -1.732 17.023 -5.702 1.00 11.41 N ATOM 0 H LYS A 27 -0.600 13.178 -5.077 1.00 3.20 H new ATOM 0 HA LYS A 27 0.332 14.880 -3.985 1.00 41.51 H new ATOM 0 HB2 LYS A 27 -0.765 13.511 -1.500 1.00 44.32 H new ATOM 0 HB3 LYS A 27 -0.154 15.153 -1.562 1.00 44.32 H new ATOM 0 HG2 LYS A 27 -2.599 14.104 -3.038 1.00 41.11 H new ATOM 0 HG3 LYS A 27 -2.615 15.096 -1.593 1.00 41.11 H new ATOM 0 HD2 LYS A 27 -2.893 16.783 -3.120 1.00 34.31 H new ATOM 0 HD3 LYS A 27 -1.142 16.731 -3.153 1.00 34.31 H new ATOM 0 HE2 LYS A 27 -1.382 15.029 -5.089 1.00 42.41 H new ATOM 0 HE3 LYS A 27 -3.073 15.485 -5.142 1.00 42.41 H new ATOM 0 HZ1 LYS A 27 -1.770 16.764 -6.709 1.00 11.41 H new ATOM 0 HZ2 LYS A 27 -2.411 17.788 -5.515 1.00 11.41 H new ATOM 0 HZ3 LYS A 27 -0.773 17.346 -5.463 1.00 11.41 H new ATOM 450 N ASP A 28 2.210 12.613 -3.557 1.00 42.12 N ATOM 451 CA ASP A 28 3.517 12.047 -3.209 1.00 4.34 C ATOM 452 C ASP A 28 3.546 11.579 -1.757 1.00 33.44 C ATOM 453 O ASP A 28 4.589 11.597 -1.105 1.00 44.23 O ATOM 454 CB ASP A 28 4.648 13.053 -3.467 1.00 74.33 C ATOM 455 CG ASP A 28 4.835 13.359 -4.944 1.00 30.42 C ATOM 456 OD1 ASP A 28 5.250 12.450 -5.695 1.00 41.13 O ATOM 457 OD2 ASP A 28 4.558 14.506 -5.361 1.00 72.14 O ATOM 0 H ASP A 28 1.784 12.185 -4.379 1.00 42.12 H new ATOM 0 HA ASP A 28 3.677 11.182 -3.852 1.00 4.34 H new ATOM 0 HB2 ASP A 28 4.434 13.979 -2.933 1.00 74.33 H new ATOM 0 HB3 ASP A 28 5.579 12.658 -3.061 1.00 74.33 H new ATOM 462 N GLY A 29 2.399 11.116 -1.271 1.00 25.54 N ATOM 463 CA GLY A 29 2.282 10.693 0.114 1.00 3.31 C ATOM 464 C GLY A 29 3.017 9.401 0.400 1.00 54.20 C ATOM 465 O GLY A 29 3.116 8.977 1.556 1.00 4.41 O ATOM 0 H GLY A 29 1.542 11.025 -1.816 1.00 25.54 H new ATOM 0 HA2 GLY A 29 2.672 11.478 0.762 1.00 3.31 H new ATOM 0 HA3 GLY A 29 1.228 10.568 0.363 1.00 3.31 H new ATOM 469 N PHE A 30 3.519 8.758 -0.647 1.00 35.24 N ATOM 470 CA PHE A 30 4.254 7.516 -0.493 1.00 20.24 C ATOM 471 C PHE A 30 5.605 7.756 0.182 1.00 42.44 C ATOM 472 O PHE A 30 6.600 8.079 -0.473 1.00 64.45 O ATOM 473 CB PHE A 30 4.450 6.815 -1.841 1.00 60.32 C ATOM 474 CG PHE A 30 5.192 5.510 -1.714 1.00 63.21 C ATOM 475 CD1 PHE A 30 4.656 4.467 -0.969 1.00 43.31 C ATOM 476 CD2 PHE A 30 6.434 5.329 -2.309 1.00 73.10 C ATOM 477 CE1 PHE A 30 5.337 3.278 -0.826 1.00 73.22 C ATOM 478 CE2 PHE A 30 7.118 4.142 -2.163 1.00 45.25 C ATOM 479 CZ PHE A 30 6.568 3.114 -1.421 1.00 73.40 C ATOM 0 H PHE A 30 3.429 9.079 -1.611 1.00 35.24 H new ATOM 0 HA PHE A 30 3.660 6.863 0.147 1.00 20.24 H new ATOM 0 HB2 PHE A 30 3.477 6.632 -2.296 1.00 60.32 H new ATOM 0 HB3 PHE A 30 4.997 7.476 -2.514 1.00 60.32 H new ATOM 0 HD1 PHE A 30 3.693 4.590 -0.496 1.00 43.31 H new ATOM 0 HD2 PHE A 30 6.868 6.127 -2.892 1.00 73.10 H new ATOM 0 HE1 PHE A 30 4.905 2.475 -0.247 1.00 73.22 H new ATOM 0 HE2 PHE A 30 8.084 4.015 -2.629 1.00 45.25 H new ATOM 0 HZ PHE A 30 7.103 2.183 -1.308 1.00 73.40 H new ATOM 489 N ASN A 31 5.616 7.631 1.501 1.00 65.11 N ATOM 490 CA ASN A 31 6.847 7.660 2.281 1.00 31.52 C ATOM 491 C ASN A 31 7.320 6.226 2.514 1.00 64.13 C ATOM 492 O ASN A 31 6.714 5.490 3.297 1.00 42.31 O ATOM 493 CB ASN A 31 6.617 8.382 3.616 1.00 52.25 C ATOM 494 CG ASN A 31 7.872 8.485 4.474 1.00 11.23 C ATOM 495 OD1 ASN A 31 7.799 8.426 5.702 1.00 11.55 O ATOM 496 ND2 ASN A 31 9.029 8.655 3.843 1.00 2.53 N ATOM 0 H ASN A 31 4.773 7.507 2.061 1.00 65.11 H new ATOM 0 HA ASN A 31 7.615 8.207 1.735 1.00 31.52 H new ATOM 0 HB2 ASN A 31 6.239 9.385 3.417 1.00 52.25 H new ATOM 0 HB3 ASN A 31 5.845 7.855 4.177 1.00 52.25 H new ATOM 0 HD21 ASN A 31 9.894 8.741 4.377 1.00 2.53 H new ATOM 0 HD22 ASN A 31 9.053 8.699 2.824 1.00 2.53 H new ATOM 503 N GLU A 32 8.388 5.832 1.817 1.00 4.34 N ATOM 504 CA GLU A 32 8.865 4.446 1.840 1.00 41.22 C ATOM 505 C GLU A 32 9.124 3.966 3.267 1.00 55.23 C ATOM 506 O GLU A 32 8.691 2.873 3.643 1.00 31.11 O ATOM 507 CB GLU A 32 10.137 4.286 0.993 1.00 63.54 C ATOM 508 CG GLU A 32 10.721 2.872 1.023 1.00 42.13 C ATOM 509 CD GLU A 32 12.036 2.750 0.266 1.00 24.55 C ATOM 510 OE1 GLU A 32 13.011 3.437 0.645 1.00 70.52 O ATOM 511 OE2 GLU A 32 12.116 1.955 -0.697 1.00 4.40 O ATOM 0 H GLU A 32 8.941 6.455 1.228 1.00 4.34 H new ATOM 0 HA GLU A 32 8.077 3.828 1.409 1.00 41.22 H new ATOM 0 HB2 GLU A 32 9.912 4.555 -0.039 1.00 63.54 H new ATOM 0 HB3 GLU A 32 10.891 4.989 1.349 1.00 63.54 H new ATOM 0 HG2 GLU A 32 10.877 2.572 2.059 1.00 42.13 H new ATOM 0 HG3 GLU A 32 9.997 2.178 0.596 1.00 42.13 H new ATOM 518 N GLU A 33 9.814 4.783 4.059 1.00 5.10 N ATOM 519 CA GLU A 33 10.160 4.404 5.429 1.00 14.41 C ATOM 520 C GLU A 33 8.897 4.161 6.258 1.00 55.54 C ATOM 521 O GLU A 33 8.825 3.193 7.011 1.00 22.41 O ATOM 522 CB GLU A 33 11.050 5.462 6.094 1.00 52.11 C ATOM 523 CG GLU A 33 10.379 6.812 6.305 1.00 3.44 C ATOM 524 CD GLU A 33 11.325 7.856 6.874 1.00 70.05 C ATOM 525 OE1 GLU A 33 11.581 7.838 8.096 1.00 41.32 O ATOM 526 OE2 GLU A 33 11.823 8.701 6.098 1.00 25.54 O ATOM 0 H GLU A 33 10.144 5.707 3.779 1.00 5.10 H new ATOM 0 HA GLU A 33 10.727 3.474 5.383 1.00 14.41 H new ATOM 0 HB2 GLU A 33 11.384 5.082 7.059 1.00 52.11 H new ATOM 0 HB3 GLU A 33 11.941 5.605 5.482 1.00 52.11 H new ATOM 0 HG2 GLU A 33 9.982 7.168 5.354 1.00 3.44 H new ATOM 0 HG3 GLU A 33 9.531 6.690 6.979 1.00 3.44 H new ATOM 533 N ALA A 34 7.898 5.031 6.090 1.00 14.33 N ATOM 534 CA ALA A 34 6.624 4.888 6.795 1.00 63.03 C ATOM 535 C ALA A 34 5.956 3.570 6.417 1.00 51.44 C ATOM 536 O ALA A 34 5.482 2.830 7.280 1.00 21.01 O ATOM 537 CB ALA A 34 5.699 6.065 6.487 1.00 42.51 C ATOM 0 H ALA A 34 7.948 5.841 5.472 1.00 14.33 H new ATOM 0 HA ALA A 34 6.822 4.884 7.867 1.00 63.03 H new ATOM 0 HB1 ALA A 34 4.758 5.938 7.022 1.00 42.51 H new ATOM 0 HB2 ALA A 34 6.174 6.994 6.804 1.00 42.51 H new ATOM 0 HB3 ALA A 34 5.505 6.104 5.415 1.00 42.51 H new ATOM 543 N PHE A 35 5.946 3.280 5.119 1.00 43.30 N ATOM 544 CA PHE A 35 5.372 2.041 4.601 1.00 64.41 C ATOM 545 C PHE A 35 6.033 0.828 5.252 1.00 60.43 C ATOM 546 O PHE A 35 5.373 0.023 5.915 1.00 45.32 O ATOM 547 CB PHE A 35 5.542 1.979 3.071 1.00 62.13 C ATOM 548 CG PHE A 35 5.153 0.652 2.459 1.00 2.12 C ATOM 549 CD1 PHE A 35 3.825 0.353 2.195 1.00 75.33 C ATOM 550 CD2 PHE A 35 6.120 -0.299 2.148 1.00 5.33 C ATOM 551 CE1 PHE A 35 3.469 -0.859 1.639 1.00 24.22 C ATOM 552 CE2 PHE A 35 5.768 -1.512 1.590 1.00 60.53 C ATOM 553 CZ PHE A 35 4.441 -1.794 1.336 1.00 71.12 C ATOM 0 H PHE A 35 6.333 3.892 4.401 1.00 43.30 H new ATOM 0 HA PHE A 35 4.309 2.025 4.842 1.00 64.41 H new ATOM 0 HB2 PHE A 35 4.940 2.766 2.617 1.00 62.13 H new ATOM 0 HB3 PHE A 35 6.582 2.190 2.823 1.00 62.13 H new ATOM 0 HD1 PHE A 35 3.059 1.078 2.428 1.00 75.33 H new ATOM 0 HD2 PHE A 35 7.160 -0.085 2.346 1.00 5.33 H new ATOM 0 HE1 PHE A 35 2.430 -1.077 1.440 1.00 24.22 H new ATOM 0 HE2 PHE A 35 6.530 -2.239 1.353 1.00 60.53 H new ATOM 0 HZ PHE A 35 4.163 -2.743 0.902 1.00 71.12 H new ATOM 563 N LYS A 36 7.349 0.731 5.089 1.00 20.50 N ATOM 564 CA LYS A 36 8.105 -0.435 5.536 1.00 64.34 C ATOM 565 C LYS A 36 8.154 -0.524 7.064 1.00 53.33 C ATOM 566 O LYS A 36 8.389 -1.599 7.621 1.00 21.24 O ATOM 567 CB LYS A 36 9.523 -0.402 4.941 1.00 72.22 C ATOM 568 CG LYS A 36 10.379 0.774 5.401 1.00 21.42 C ATOM 569 CD LYS A 36 11.577 0.999 4.480 1.00 12.45 C ATOM 570 CE LYS A 36 12.492 -0.218 4.407 1.00 34.11 C ATOM 571 NZ LYS A 36 13.129 -0.521 5.717 1.00 63.42 N ATOM 0 H LYS A 36 7.918 1.453 4.647 1.00 20.50 H new ATOM 0 HA LYS A 36 7.594 -1.329 5.179 1.00 64.34 H new ATOM 0 HB2 LYS A 36 10.033 -1.329 5.201 1.00 72.22 H new ATOM 0 HB3 LYS A 36 9.446 -0.375 3.854 1.00 72.22 H new ATOM 0 HG2 LYS A 36 9.769 1.677 5.431 1.00 21.42 H new ATOM 0 HG3 LYS A 36 10.731 0.592 6.417 1.00 21.42 H new ATOM 0 HD2 LYS A 36 11.221 1.243 3.479 1.00 12.45 H new ATOM 0 HD3 LYS A 36 12.147 1.858 4.834 1.00 12.45 H new ATOM 0 HE2 LYS A 36 11.918 -1.083 4.075 1.00 34.11 H new ATOM 0 HE3 LYS A 36 13.266 -0.044 3.660 1.00 34.11 H new ATOM 0 HZ1 LYS A 36 13.806 -1.302 5.601 1.00 63.42 H new ATOM 0 HZ2 LYS A 36 13.629 0.323 6.063 1.00 63.42 H new ATOM 0 HZ3 LYS A 36 12.398 -0.796 6.403 1.00 63.42 H new ATOM 585 N ALA A 37 7.923 0.606 7.732 1.00 71.43 N ATOM 586 CA ALA A 37 7.905 0.658 9.194 1.00 43.42 C ATOM 587 C ALA A 37 6.543 0.236 9.746 1.00 3.45 C ATOM 588 O ALA A 37 6.408 -0.056 10.935 1.00 34.14 O ATOM 589 CB ALA A 37 8.262 2.061 9.680 1.00 53.05 C ATOM 0 H ALA A 37 7.745 1.503 7.281 1.00 71.43 H new ATOM 0 HA ALA A 37 8.651 -0.045 9.564 1.00 43.42 H new ATOM 0 HB1 ALA A 37 8.244 2.084 10.770 1.00 53.05 H new ATOM 0 HB2 ALA A 37 9.259 2.325 9.327 1.00 53.05 H new ATOM 0 HB3 ALA A 37 7.538 2.776 9.290 1.00 53.05 H new ATOM 595 N ARG A 38 5.527 0.227 8.888 1.00 11.54 N ATOM 596 CA ARG A 38 4.174 -0.159 9.298 1.00 32.21 C ATOM 597 C ARG A 38 3.764 -1.485 8.655 1.00 72.10 C ATOM 598 O ARG A 38 2.791 -2.114 9.074 1.00 3.24 O ATOM 599 CB ARG A 38 3.170 0.938 8.925 1.00 3.22 C ATOM 600 CG ARG A 38 3.470 2.310 9.539 1.00 70.10 C ATOM 601 CD ARG A 38 3.169 2.375 11.040 1.00 2.40 C ATOM 602 NE ARG A 38 4.087 1.570 11.858 1.00 10.15 N ATOM 603 CZ ARG A 38 4.201 1.683 13.185 1.00 53.45 C ATOM 604 NH1 ARG A 38 3.520 2.621 13.836 1.00 73.54 N ATOM 605 NH2 ARG A 38 5.008 0.870 13.858 1.00 23.21 N ATOM 0 H ARG A 38 5.612 0.482 7.904 1.00 11.54 H new ATOM 0 HA ARG A 38 4.174 -0.288 10.380 1.00 32.21 H new ATOM 0 HB2 ARG A 38 3.146 1.037 7.840 1.00 3.22 H new ATOM 0 HB3 ARG A 38 2.175 0.624 9.238 1.00 3.22 H new ATOM 0 HG2 ARG A 38 4.520 2.554 9.374 1.00 70.10 H new ATOM 0 HG3 ARG A 38 2.882 3.069 9.023 1.00 70.10 H new ATOM 0 HD2 ARG A 38 3.219 3.413 11.368 1.00 2.40 H new ATOM 0 HD3 ARG A 38 2.148 2.035 11.213 1.00 2.40 H new ATOM 0 HE ARG A 38 4.673 0.883 11.384 1.00 10.15 H new ATOM 0 HH11 ARG A 38 2.909 3.256 13.323 1.00 73.54 H new ATOM 0 HH12 ARG A 38 3.609 2.705 14.849 1.00 73.54 H new ATOM 0 HH21 ARG A 38 5.543 0.157 13.362 1.00 23.21 H new ATOM 0 HH22 ARG A 38 5.093 0.959 14.871 1.00 23.21 H new ATOM 619 N TYR A 39 4.517 -1.899 7.638 1.00 32.42 N ATOM 620 CA TYR A 39 4.251 -3.145 6.917 1.00 54.25 C ATOM 621 C TYR A 39 4.454 -4.359 7.830 1.00 21.14 C ATOM 622 O TYR A 39 5.140 -4.273 8.852 1.00 24.13 O ATOM 623 CB TYR A 39 5.171 -3.237 5.684 1.00 23.03 C ATOM 624 CG TYR A 39 4.973 -4.486 4.836 1.00 51.10 C ATOM 625 CD1 TYR A 39 3.898 -4.590 3.960 1.00 61.25 C ATOM 626 CD2 TYR A 39 5.856 -5.561 4.919 1.00 41.43 C ATOM 627 CE1 TYR A 39 3.709 -5.724 3.193 1.00 51.44 C ATOM 628 CE2 TYR A 39 5.674 -6.697 4.154 1.00 54.34 C ATOM 629 CZ TYR A 39 4.600 -6.774 3.295 1.00 15.23 C ATOM 630 OH TYR A 39 4.412 -7.907 2.537 1.00 41.32 O ATOM 0 H TYR A 39 5.326 -1.384 7.291 1.00 32.42 H new ATOM 0 HA TYR A 39 3.212 -3.144 6.588 1.00 54.25 H new ATOM 0 HB2 TYR A 39 5.007 -2.360 5.058 1.00 23.03 H new ATOM 0 HB3 TYR A 39 6.208 -3.201 6.018 1.00 23.03 H new ATOM 0 HD1 TYR A 39 3.199 -3.771 3.878 1.00 61.25 H new ATOM 0 HD2 TYR A 39 6.698 -5.505 5.593 1.00 41.43 H new ATOM 0 HE1 TYR A 39 2.869 -5.789 2.517 1.00 51.44 H new ATOM 0 HE2 TYR A 39 6.370 -7.520 4.229 1.00 54.34 H new ATOM 0 HH TYR A 39 4.645 -7.719 1.604 1.00 41.32 H new ATOM 640 N SER A 40 3.842 -5.483 7.459 1.00 63.04 N ATOM 641 CA SER A 40 3.972 -6.726 8.209 1.00 54.32 C ATOM 642 C SER A 40 3.727 -7.921 7.282 1.00 53.21 C ATOM 643 O SER A 40 3.230 -7.757 6.165 1.00 64.23 O ATOM 644 CB SER A 40 2.996 -6.741 9.393 1.00 70.44 C ATOM 645 OG SER A 40 3.273 -7.817 10.276 1.00 54.12 O ATOM 0 H SER A 40 3.246 -5.555 6.634 1.00 63.04 H new ATOM 0 HA SER A 40 4.984 -6.798 8.607 1.00 54.32 H new ATOM 0 HB2 SER A 40 3.063 -5.797 9.934 1.00 70.44 H new ATOM 0 HB3 SER A 40 1.974 -6.825 9.024 1.00 70.44 H new ATOM 0 HG SER A 40 2.637 -7.801 11.021 1.00 54.12 H new ATOM 651 N ASP A 41 4.064 -9.113 7.766 1.00 21.43 N ATOM 652 CA ASP A 41 4.029 -10.341 6.965 1.00 44.24 C ATOM 653 C ASP A 41 2.641 -10.614 6.370 1.00 53.35 C ATOM 654 O ASP A 41 2.506 -10.817 5.165 1.00 23.20 O ATOM 655 CB ASP A 41 4.469 -11.531 7.831 1.00 12.04 C ATOM 656 CG ASP A 41 4.464 -12.850 7.070 1.00 11.33 C ATOM 657 OD1 ASP A 41 5.481 -13.166 6.411 1.00 14.11 O ATOM 658 OD2 ASP A 41 3.454 -13.581 7.137 1.00 13.34 O ATOM 0 H ASP A 41 4.371 -9.259 8.728 1.00 21.43 H new ATOM 0 HA ASP A 41 4.716 -10.208 6.130 1.00 44.24 H new ATOM 0 HB2 ASP A 41 5.471 -11.343 8.216 1.00 12.04 H new ATOM 0 HB3 ASP A 41 3.806 -11.612 8.693 1.00 12.04 H new ATOM 663 N ILE A 42 1.621 -10.601 7.227 1.00 23.05 N ATOM 664 CA ILE A 42 0.250 -10.957 6.832 1.00 53.05 C ATOM 665 C ILE A 42 -0.240 -10.143 5.624 1.00 2.14 C ATOM 666 O ILE A 42 -1.042 -10.627 4.822 1.00 5.43 O ATOM 667 CB ILE A 42 -0.735 -10.770 8.021 1.00 3.14 C ATOM 668 CG1 ILE A 42 -2.161 -11.221 7.644 1.00 54.01 C ATOM 669 CG2 ILE A 42 -0.740 -9.315 8.498 1.00 1.23 C ATOM 670 CD1 ILE A 42 -2.270 -12.694 7.293 1.00 61.43 C ATOM 0 H ILE A 42 1.716 -10.346 8.210 1.00 23.05 H new ATOM 0 HA ILE A 42 0.273 -12.007 6.541 1.00 53.05 H new ATOM 0 HB ILE A 42 -0.389 -11.401 8.840 1.00 3.14 H new ATOM 0 HG12 ILE A 42 -2.831 -11.006 8.476 1.00 54.01 H new ATOM 0 HG13 ILE A 42 -2.506 -10.629 6.796 1.00 54.01 H new ATOM 0 HG21 ILE A 42 -1.436 -9.207 9.330 1.00 1.23 H new ATOM 0 HG22 ILE A 42 0.262 -9.036 8.824 1.00 1.23 H new ATOM 0 HG23 ILE A 42 -1.050 -8.665 7.680 1.00 1.23 H new ATOM 0 HD11 ILE A 42 -3.303 -12.932 7.040 1.00 61.43 H new ATOM 0 HD12 ILE A 42 -1.627 -12.913 6.440 1.00 61.43 H new ATOM 0 HD13 ILE A 42 -1.958 -13.296 8.147 1.00 61.43 H new ATOM 682 N LEU A 43 0.267 -8.921 5.483 1.00 2.42 N ATOM 683 CA LEU A 43 -0.179 -8.016 4.422 1.00 75.11 C ATOM 684 C LEU A 43 0.168 -8.567 3.034 1.00 74.25 C ATOM 685 O LEU A 43 -0.502 -8.255 2.048 1.00 10.12 O ATOM 686 CB LEU A 43 0.446 -6.626 4.617 1.00 35.33 C ATOM 687 CG LEU A 43 0.066 -5.910 5.927 1.00 32.32 C ATOM 688 CD1 LEU A 43 0.748 -4.546 6.016 1.00 14.05 C ATOM 689 CD2 LEU A 43 -1.450 -5.762 6.046 1.00 70.52 C ATOM 0 H LEU A 43 0.988 -8.532 6.090 1.00 2.42 H new ATOM 0 HA LEU A 43 -1.264 -7.932 4.484 1.00 75.11 H new ATOM 0 HB2 LEU A 43 1.531 -6.725 4.578 1.00 35.33 H new ATOM 0 HB3 LEU A 43 0.153 -5.994 3.779 1.00 35.33 H new ATOM 0 HG LEU A 43 0.415 -6.522 6.759 1.00 32.32 H new ATOM 0 HD11 LEU A 43 0.466 -4.058 6.949 1.00 14.05 H new ATOM 0 HD12 LEU A 43 1.830 -4.678 5.988 1.00 14.05 H new ATOM 0 HD13 LEU A 43 0.436 -3.928 5.174 1.00 14.05 H new ATOM 0 HD21 LEU A 43 -1.694 -5.254 6.979 1.00 70.52 H new ATOM 0 HD22 LEU A 43 -1.826 -5.178 5.206 1.00 70.52 H new ATOM 0 HD23 LEU A 43 -1.914 -6.748 6.038 1.00 70.52 H new ATOM 701 N ASN A 44 1.201 -9.404 2.975 1.00 42.54 N ATOM 702 CA ASN A 44 1.658 -9.994 1.713 1.00 73.54 C ATOM 703 C ASN A 44 0.573 -10.868 1.079 1.00 4.12 C ATOM 704 O ASN A 44 0.539 -11.045 -0.139 1.00 43.50 O ATOM 705 CB ASN A 44 2.933 -10.818 1.952 1.00 14.33 C ATOM 706 CG ASN A 44 3.354 -11.639 0.739 1.00 34.43 C ATOM 707 OD1 ASN A 44 4.084 -11.160 -0.131 1.00 31.12 O ATOM 708 ND2 ASN A 44 2.914 -12.890 0.683 1.00 25.44 N ATOM 0 H ASN A 44 1.742 -9.692 3.790 1.00 42.54 H new ATOM 0 HA ASN A 44 1.878 -9.182 1.020 1.00 73.54 H new ATOM 0 HB2 ASN A 44 3.746 -10.146 2.227 1.00 14.33 H new ATOM 0 HB3 ASN A 44 2.772 -11.487 2.797 1.00 14.33 H new ATOM 0 HD21 ASN A 44 3.179 -13.489 -0.099 1.00 25.44 H new ATOM 0 HD22 ASN A 44 2.311 -13.252 1.422 1.00 25.44 H new ATOM 715 N LYS A 45 -0.322 -11.394 1.912 1.00 3.44 N ATOM 716 CA LYS A 45 -1.380 -12.294 1.447 1.00 74.14 C ATOM 717 C LYS A 45 -2.434 -11.551 0.615 1.00 54.44 C ATOM 718 O LYS A 45 -3.213 -12.170 -0.114 1.00 71.23 O ATOM 719 CB LYS A 45 -2.034 -12.993 2.652 1.00 54.34 C ATOM 720 CG LYS A 45 -3.250 -13.849 2.296 1.00 41.23 C ATOM 721 CD LYS A 45 -3.698 -14.726 3.461 1.00 62.20 C ATOM 722 CE LYS A 45 -2.688 -15.827 3.760 1.00 51.13 C ATOM 723 NZ LYS A 45 -2.492 -16.728 2.591 1.00 60.35 N ATOM 0 H LYS A 45 -0.337 -11.213 2.916 1.00 3.44 H new ATOM 0 HA LYS A 45 -0.927 -13.043 0.798 1.00 74.14 H new ATOM 0 HB2 LYS A 45 -1.290 -13.623 3.140 1.00 54.34 H new ATOM 0 HB3 LYS A 45 -2.336 -12.237 3.377 1.00 54.34 H new ATOM 0 HG2 LYS A 45 -4.073 -13.201 1.994 1.00 41.23 H new ATOM 0 HG3 LYS A 45 -3.010 -14.480 1.440 1.00 41.23 H new ATOM 0 HD2 LYS A 45 -3.837 -14.109 4.349 1.00 62.20 H new ATOM 0 HD3 LYS A 45 -4.665 -15.173 3.229 1.00 62.20 H new ATOM 0 HE2 LYS A 45 -1.734 -15.380 4.038 1.00 51.13 H new ATOM 0 HE3 LYS A 45 -3.028 -16.410 4.616 1.00 51.13 H new ATOM 0 HZ1 LYS A 45 -2.069 -17.623 2.910 1.00 60.35 H new ATOM 0 HZ2 LYS A 45 -3.410 -16.919 2.142 1.00 60.35 H new ATOM 0 HZ3 LYS A 45 -1.859 -16.272 1.903 1.00 60.35 H new ATOM 737 N TYR A 46 -2.453 -10.228 0.717 1.00 70.11 N ATOM 738 CA TYR A 46 -3.432 -9.418 -0.006 1.00 24.41 C ATOM 739 C TYR A 46 -2.976 -9.127 -1.436 1.00 73.33 C ATOM 740 O TYR A 46 -3.802 -8.985 -2.339 1.00 62.03 O ATOM 741 CB TYR A 46 -3.687 -8.103 0.742 1.00 65.54 C ATOM 742 CG TYR A 46 -4.515 -8.265 2.002 1.00 0.32 C ATOM 743 CD1 TYR A 46 -5.903 -8.298 1.937 1.00 62.35 C ATOM 744 CD2 TYR A 46 -3.912 -8.377 3.251 1.00 13.31 C ATOM 745 CE1 TYR A 46 -6.669 -8.438 3.077 1.00 3.44 C ATOM 746 CE2 TYR A 46 -4.673 -8.520 4.396 1.00 5.21 C ATOM 747 CZ TYR A 46 -6.050 -8.549 4.303 1.00 31.11 C ATOM 748 OH TYR A 46 -6.812 -8.687 5.439 1.00 63.34 O ATOM 0 H TYR A 46 -1.804 -9.691 1.292 1.00 70.11 H new ATOM 0 HA TYR A 46 -4.359 -9.989 -0.060 1.00 24.41 H new ATOM 0 HB2 TYR A 46 -2.729 -7.653 1.003 1.00 65.54 H new ATOM 0 HB3 TYR A 46 -4.194 -7.408 0.073 1.00 65.54 H new ATOM 0 HD1 TYR A 46 -6.391 -8.213 0.977 1.00 62.35 H new ATOM 0 HD2 TYR A 46 -2.835 -8.352 3.327 1.00 13.31 H new ATOM 0 HE1 TYR A 46 -7.747 -8.460 3.008 1.00 3.44 H new ATOM 0 HE2 TYR A 46 -4.192 -8.609 5.359 1.00 5.21 H new ATOM 0 HH TYR A 46 -6.225 -8.754 6.221 1.00 63.34 H new ATOM 758 N ASP A 47 -1.658 -9.033 -1.626 1.00 3.03 N ATOM 759 CA ASP A 47 -1.058 -8.665 -2.921 1.00 13.13 C ATOM 760 C ASP A 47 -1.390 -7.219 -3.318 1.00 62.32 C ATOM 761 O ASP A 47 -0.962 -6.744 -4.373 1.00 74.43 O ATOM 762 CB ASP A 47 -1.482 -9.637 -4.044 1.00 5.53 C ATOM 763 CG ASP A 47 -0.730 -10.966 -4.012 1.00 65.44 C ATOM 764 OD1 ASP A 47 -1.116 -11.865 -3.237 1.00 0.04 O ATOM 765 OD2 ASP A 47 0.244 -11.127 -4.786 1.00 71.02 O ATOM 0 H ASP A 47 -0.973 -9.209 -0.891 1.00 3.03 H new ATOM 0 HA ASP A 47 0.022 -8.740 -2.792 1.00 13.13 H new ATOM 0 HB2 ASP A 47 -2.551 -9.831 -3.962 1.00 5.53 H new ATOM 0 HB3 ASP A 47 -1.318 -9.159 -5.010 1.00 5.53 H new ATOM 770 N TYR A 48 -2.130 -6.518 -2.458 1.00 62.11 N ATOM 771 CA TYR A 48 -2.480 -5.111 -2.664 1.00 31.42 C ATOM 772 C TYR A 48 -2.441 -4.373 -1.333 1.00 44.30 C ATOM 773 O TYR A 48 -3.187 -4.707 -0.408 1.00 34.53 O ATOM 774 CB TYR A 48 -3.879 -4.969 -3.282 1.00 41.21 C ATOM 775 CG TYR A 48 -3.926 -5.162 -4.784 1.00 31.32 C ATOM 776 CD1 TYR A 48 -4.021 -6.428 -5.342 1.00 22.05 C ATOM 777 CD2 TYR A 48 -3.889 -4.066 -5.642 1.00 35.13 C ATOM 778 CE1 TYR A 48 -4.075 -6.599 -6.708 1.00 4.15 C ATOM 779 CE2 TYR A 48 -3.949 -4.231 -7.011 1.00 52.02 C ATOM 780 CZ TYR A 48 -4.041 -5.501 -7.538 1.00 40.41 C ATOM 781 OH TYR A 48 -4.112 -5.674 -8.902 1.00 4.10 O ATOM 0 H TYR A 48 -2.505 -6.911 -1.595 1.00 62.11 H new ATOM 0 HA TYR A 48 -1.754 -4.680 -3.353 1.00 31.42 H new ATOM 0 HB2 TYR A 48 -4.544 -5.695 -2.814 1.00 41.21 H new ATOM 0 HB3 TYR A 48 -4.269 -3.979 -3.043 1.00 41.21 H new ATOM 0 HD1 TYR A 48 -4.053 -7.293 -4.696 1.00 22.05 H new ATOM 0 HD2 TYR A 48 -3.812 -3.071 -5.230 1.00 35.13 H new ATOM 0 HE1 TYR A 48 -4.144 -7.592 -7.127 1.00 4.15 H new ATOM 0 HE2 TYR A 48 -3.924 -3.371 -7.664 1.00 52.02 H new ATOM 0 HH TYR A 48 -5.027 -5.499 -9.207 1.00 4.10 H new ATOM 791 N ILE A 49 -1.566 -3.379 -1.236 1.00 3.13 N ATOM 792 CA ILE A 49 -1.427 -2.590 -0.018 1.00 34.33 C ATOM 793 C ILE A 49 -1.748 -1.129 -0.302 1.00 4.52 C ATOM 794 O ILE A 49 -1.076 -0.482 -1.110 1.00 55.02 O ATOM 795 CB ILE A 49 0.004 -2.688 0.576 1.00 0.22 C ATOM 796 CG1 ILE A 49 0.418 -4.160 0.754 1.00 22.41 C ATOM 797 CG2 ILE A 49 0.082 -1.943 1.910 1.00 31.40 C ATOM 798 CD1 ILE A 49 -0.518 -4.962 1.637 1.00 14.01 C ATOM 0 H ILE A 49 -0.939 -3.099 -1.990 1.00 3.13 H new ATOM 0 HA ILE A 49 -2.129 -2.995 0.711 1.00 34.33 H new ATOM 0 HB ILE A 49 0.698 -2.220 -0.122 1.00 0.22 H new ATOM 0 HG12 ILE A 49 0.470 -4.633 -0.227 1.00 22.41 H new ATOM 0 HG13 ILE A 49 1.421 -4.196 1.179 1.00 22.41 H new ATOM 0 HG21 ILE A 49 1.092 -2.022 2.312 1.00 31.40 H new ATOM 0 HG22 ILE A 49 -0.166 -0.893 1.755 1.00 31.40 H new ATOM 0 HG23 ILE A 49 -0.624 -2.383 2.614 1.00 31.40 H new ATOM 0 HD11 ILE A 49 -0.157 -5.988 1.712 1.00 14.01 H new ATOM 0 HD12 ILE A 49 -0.552 -4.516 2.631 1.00 14.01 H new ATOM 0 HD13 ILE A 49 -1.518 -4.960 1.204 1.00 14.01 H new ATOM 810 N VAL A 50 -2.779 -0.619 0.357 1.00 11.00 N ATOM 811 CA VAL A 50 -3.185 0.770 0.207 1.00 73.43 C ATOM 812 C VAL A 50 -2.983 1.507 1.522 1.00 35.23 C ATOM 813 O VAL A 50 -3.626 1.190 2.523 1.00 42.33 O ATOM 814 CB VAL A 50 -4.666 0.887 -0.228 1.00 75.41 C ATOM 815 CG1 VAL A 50 -5.074 2.351 -0.393 1.00 60.51 C ATOM 816 CG2 VAL A 50 -4.908 0.100 -1.514 1.00 42.14 C ATOM 0 H VAL A 50 -3.355 -1.154 1.007 1.00 11.00 H new ATOM 0 HA VAL A 50 -2.567 1.217 -0.572 1.00 73.43 H new ATOM 0 HB VAL A 50 -5.289 0.457 0.556 1.00 75.41 H new ATOM 0 HG11 VAL A 50 -6.119 2.405 -0.699 1.00 60.51 H new ATOM 0 HG12 VAL A 50 -4.946 2.873 0.555 1.00 60.51 H new ATOM 0 HG13 VAL A 50 -4.449 2.820 -1.153 1.00 60.51 H new ATOM 0 HG21 VAL A 50 -5.954 0.193 -1.806 1.00 42.14 H new ATOM 0 HG22 VAL A 50 -4.273 0.495 -2.307 1.00 42.14 H new ATOM 0 HG23 VAL A 50 -4.669 -0.951 -1.348 1.00 42.14 H new ATOM 826 N GLY A 51 -2.067 2.463 1.530 1.00 21.34 N ATOM 827 CA GLY A 51 -1.800 3.219 2.734 1.00 4.24 C ATOM 828 C GLY A 51 -2.441 4.586 2.687 1.00 60.34 C ATOM 829 O GLY A 51 -2.135 5.385 1.801 1.00 11.34 O ATOM 0 H GLY A 51 -1.503 2.729 0.723 1.00 21.34 H new ATOM 0 HA2 GLY A 51 -2.174 2.671 3.599 1.00 4.24 H new ATOM 0 HA3 GLY A 51 -0.723 3.326 2.866 1.00 4.24 H new ATOM 833 N ASP A 52 -3.321 4.852 3.644 1.00 4.25 N ATOM 834 CA ASP A 52 -4.006 6.140 3.739 1.00 54.32 C ATOM 835 C ASP A 52 -3.432 6.959 4.883 1.00 22.33 C ATOM 836 O ASP A 52 -3.253 6.450 5.993 1.00 20.02 O ATOM 837 CB ASP A 52 -5.518 5.959 3.984 1.00 72.01 C ATOM 838 CG ASP A 52 -6.280 5.461 2.765 1.00 43.23 C ATOM 839 OD1 ASP A 52 -6.744 6.307 1.965 1.00 30.15 O ATOM 840 OD2 ASP A 52 -6.444 4.229 2.626 1.00 11.34 O ATOM 0 H ASP A 52 -3.581 4.187 4.373 1.00 4.25 H new ATOM 0 HA ASP A 52 -3.856 6.655 2.790 1.00 54.32 H new ATOM 0 HB2 ASP A 52 -5.662 5.256 4.804 1.00 72.01 H new ATOM 0 HB3 ASP A 52 -5.942 6.911 4.302 1.00 72.01 H new ATOM 845 N TRP A 53 -3.123 8.219 4.606 1.00 73.12 N ATOM 846 CA TRP A 53 -2.817 9.173 5.661 1.00 22.45 C ATOM 847 C TRP A 53 -4.126 9.650 6.280 1.00 20.53 C ATOM 848 O TRP A 53 -4.226 9.833 7.497 1.00 41.24 O ATOM 849 CB TRP A 53 -2.006 10.361 5.118 1.00 61.23 C ATOM 850 CG TRP A 53 -0.596 10.004 4.748 1.00 12.42 C ATOM 851 CD1 TRP A 53 -0.163 9.453 3.574 1.00 13.20 C ATOM 852 CD2 TRP A 53 0.567 10.161 5.569 1.00 12.42 C ATOM 853 NE1 TRP A 53 1.195 9.262 3.618 1.00 4.15 N ATOM 854 CE2 TRP A 53 1.668 9.690 4.829 1.00 72.52 C ATOM 855 CE3 TRP A 53 0.785 10.661 6.856 1.00 63.31 C ATOM 856 CZ2 TRP A 53 2.965 9.700 5.336 1.00 52.52 C ATOM 857 CZ3 TRP A 53 2.073 10.668 7.360 1.00 23.24 C ATOM 858 CH2 TRP A 53 3.149 10.194 6.598 1.00 63.41 C ATOM 0 H TRP A 53 -3.078 8.602 3.662 1.00 73.12 H new ATOM 0 HA TRP A 53 -2.205 8.687 6.421 1.00 22.45 H new ATOM 0 HB2 TRP A 53 -2.512 10.766 4.241 1.00 61.23 H new ATOM 0 HB3 TRP A 53 -1.987 11.151 5.868 1.00 61.23 H new ATOM 0 HD1 TRP A 53 -0.797 9.205 2.735 1.00 13.20 H new ATOM 0 HE1 TRP A 53 1.761 8.865 2.868 1.00 4.15 H new ATOM 0 HE3 TRP A 53 -0.038 11.035 7.447 1.00 63.31 H new ATOM 0 HZ2 TRP A 53 3.796 9.331 4.753 1.00 52.52 H new ATOM 0 HZ3 TRP A 53 2.252 11.045 8.356 1.00 23.24 H new ATOM 0 HH2 TRP A 53 4.145 10.219 7.016 1.00 63.41 H new ATOM 869 N GLY A 54 -5.135 9.824 5.421 1.00 14.44 N ATOM 870 CA GLY A 54 -6.466 10.207 5.861 1.00 30.54 C ATOM 871 C GLY A 54 -6.479 11.514 6.629 1.00 43.43 C ATOM 872 O GLY A 54 -6.681 12.583 6.050 1.00 14.35 O ATOM 0 H GLY A 54 -5.047 9.703 4.412 1.00 14.44 H new ATOM 0 HA2 GLY A 54 -7.119 10.295 4.993 1.00 30.54 H new ATOM 0 HA3 GLY A 54 -6.877 9.417 6.490 1.00 30.54 H new ATOM 876 N TYR A 55 -6.258 11.427 7.933 1.00 61.21 N ATOM 877 CA TYR A 55 -6.267 12.597 8.805 1.00 52.34 C ATOM 878 C TYR A 55 -4.839 12.993 9.177 1.00 71.13 C ATOM 879 O TYR A 55 -4.558 14.162 9.447 1.00 74.45 O ATOM 880 CB TYR A 55 -7.089 12.298 10.065 1.00 12.14 C ATOM 881 CG TYR A 55 -7.296 13.496 10.968 1.00 60.54 C ATOM 882 CD1 TYR A 55 -8.268 14.448 10.676 1.00 73.12 C ATOM 883 CD2 TYR A 55 -6.529 13.676 12.113 1.00 62.20 C ATOM 884 CE1 TYR A 55 -8.466 15.540 11.497 1.00 42.32 C ATOM 885 CE2 TYR A 55 -6.725 14.764 12.942 1.00 45.01 C ATOM 886 CZ TYR A 55 -7.692 15.694 12.628 1.00 65.23 C ATOM 887 OH TYR A 55 -7.899 16.776 13.456 1.00 53.51 O ATOM 0 H TYR A 55 -6.068 10.549 8.416 1.00 61.21 H new ATOM 0 HA TYR A 55 -6.726 13.432 8.276 1.00 52.34 H new ATOM 0 HB2 TYR A 55 -8.063 11.909 9.767 1.00 12.14 H new ATOM 0 HB3 TYR A 55 -6.592 11.511 10.632 1.00 12.14 H new ATOM 0 HD1 TYR A 55 -8.878 14.331 9.792 1.00 73.12 H new ATOM 0 HD2 TYR A 55 -5.766 12.952 12.359 1.00 62.20 H new ATOM 0 HE1 TYR A 55 -9.224 16.270 11.255 1.00 42.32 H new ATOM 0 HE2 TYR A 55 -6.124 14.885 13.831 1.00 45.01 H new ATOM 0 HH TYR A 55 -7.273 16.737 14.209 1.00 53.51 H new ATOM 897 N GLY A 56 -3.943 12.010 9.165 1.00 20.34 N ATOM 898 CA GLY A 56 -2.560 12.230 9.559 1.00 24.30 C ATOM 899 C GLY A 56 -1.891 10.941 9.988 1.00 14.41 C ATOM 900 O GLY A 56 -0.673 10.785 9.869 1.00 51.24 O ATOM 0 H GLY A 56 -4.153 11.052 8.885 1.00 20.34 H new ATOM 0 HA2 GLY A 56 -2.009 12.667 8.726 1.00 24.30 H new ATOM 0 HA3 GLY A 56 -2.524 12.949 10.377 1.00 24.30 H new ATOM 904 N GLN A 57 -2.694 10.008 10.493 1.00 22.44 N ATOM 905 CA GLN A 57 -2.193 8.706 10.910 1.00 4.31 C ATOM 906 C GLN A 57 -2.099 7.760 9.712 1.00 20.25 C ATOM 907 O GLN A 57 -3.109 7.223 9.253 1.00 63.32 O ATOM 908 CB GLN A 57 -3.097 8.099 11.991 1.00 74.12 C ATOM 909 CG GLN A 57 -3.165 8.923 13.273 1.00 51.24 C ATOM 910 CD GLN A 57 -3.883 8.201 14.399 1.00 52.22 C ATOM 911 OE1 GLN A 57 -3.839 6.971 14.492 1.00 71.04 O ATOM 912 NE2 GLN A 57 -4.548 8.952 15.259 1.00 51.52 N ATOM 0 H GLN A 57 -3.698 10.133 10.623 1.00 22.44 H new ATOM 0 HA GLN A 57 -1.196 8.843 11.328 1.00 4.31 H new ATOM 0 HB2 GLN A 57 -4.104 7.987 11.588 1.00 74.12 H new ATOM 0 HB3 GLN A 57 -2.737 7.099 12.232 1.00 74.12 H new ATOM 0 HG2 GLN A 57 -2.153 9.172 13.594 1.00 51.24 H new ATOM 0 HG3 GLN A 57 -3.675 9.864 13.068 1.00 51.24 H new ATOM 0 HE21 GLN A 57 -4.560 9.966 15.148 1.00 51.52 H new ATOM 0 HE22 GLN A 57 -5.049 8.518 16.034 1.00 51.52 H new ATOM 921 N LEU A 58 -0.881 7.583 9.207 1.00 14.44 N ATOM 922 CA LEU A 58 -0.623 6.693 8.078 1.00 61.01 C ATOM 923 C LEU A 58 -0.878 5.240 8.485 1.00 3.21 C ATOM 924 O LEU A 58 -0.213 4.709 9.381 1.00 70.13 O ATOM 925 CB LEU A 58 0.828 6.895 7.588 1.00 54.11 C ATOM 926 CG LEU A 58 1.260 6.126 6.317 1.00 73.11 C ATOM 927 CD1 LEU A 58 1.646 4.683 6.632 1.00 72.04 C ATOM 928 CD2 LEU A 58 0.163 6.169 5.255 1.00 5.10 C ATOM 0 H LEU A 58 -0.048 8.050 9.567 1.00 14.44 H new ATOM 0 HA LEU A 58 -1.300 6.931 7.258 1.00 61.01 H new ATOM 0 HB2 LEU A 58 0.978 7.959 7.406 1.00 54.11 H new ATOM 0 HB3 LEU A 58 1.500 6.613 8.398 1.00 54.11 H new ATOM 0 HG LEU A 58 2.145 6.625 5.922 1.00 73.11 H new ATOM 0 HD11 LEU A 58 1.943 4.177 5.713 1.00 72.04 H new ATOM 0 HD12 LEU A 58 2.478 4.674 7.336 1.00 72.04 H new ATOM 0 HD13 LEU A 58 0.793 4.166 7.071 1.00 72.04 H new ATOM 0 HD21 LEU A 58 0.491 5.622 4.371 1.00 5.10 H new ATOM 0 HD22 LEU A 58 -0.744 5.711 5.650 1.00 5.10 H new ATOM 0 HD23 LEU A 58 -0.042 7.205 4.985 1.00 5.10 H new ATOM 940 N ARG A 59 -1.853 4.611 7.836 1.00 42.10 N ATOM 941 CA ARG A 59 -2.204 3.215 8.109 1.00 4.25 C ATOM 942 C ARG A 59 -2.266 2.414 6.810 1.00 21.22 C ATOM 943 O ARG A 59 -2.658 2.939 5.768 1.00 70.04 O ATOM 944 CB ARG A 59 -3.552 3.135 8.851 1.00 51.13 C ATOM 945 CG ARG A 59 -3.512 3.698 10.271 1.00 52.42 C ATOM 946 CD ARG A 59 -2.563 2.908 11.163 1.00 23.11 C ATOM 947 NE ARG A 59 -2.520 3.439 12.526 1.00 31.43 N ATOM 948 CZ ARG A 59 -2.911 2.763 13.610 1.00 71.33 C ATOM 949 NH1 ARG A 59 -3.399 1.531 13.492 1.00 34.13 N ATOM 950 NH2 ARG A 59 -2.811 3.322 14.808 1.00 71.52 N ATOM 0 H ARG A 59 -2.421 5.048 7.110 1.00 42.10 H new ATOM 0 HA ARG A 59 -1.430 2.784 8.745 1.00 4.25 H new ATOM 0 HB2 ARG A 59 -4.304 3.676 8.277 1.00 51.13 H new ATOM 0 HB3 ARG A 59 -3.871 2.094 8.892 1.00 51.13 H new ATOM 0 HG2 ARG A 59 -3.199 4.742 10.240 1.00 52.42 H new ATOM 0 HG3 ARG A 59 -4.514 3.679 10.699 1.00 52.42 H new ATOM 0 HD2 ARG A 59 -2.876 1.864 11.191 1.00 23.11 H new ATOM 0 HD3 ARG A 59 -1.561 2.929 10.734 1.00 23.11 H new ATOM 0 HE ARG A 59 -2.168 4.387 12.657 1.00 31.43 H new ATOM 0 HH11 ARG A 59 -3.476 1.099 12.571 1.00 34.13 H new ATOM 0 HH12 ARG A 59 -3.696 1.019 14.322 1.00 34.13 H new ATOM 0 HH21 ARG A 59 -2.436 4.266 14.901 1.00 71.52 H new ATOM 0 HH22 ARG A 59 -3.109 2.808 15.637 1.00 71.52 H new ATOM 964 N LEU A 60 -1.862 1.147 6.880 1.00 45.24 N ATOM 965 CA LEU A 60 -1.871 0.256 5.718 1.00 3.33 C ATOM 966 C LEU A 60 -3.106 -0.640 5.737 1.00 34.42 C ATOM 967 O LEU A 60 -3.305 -1.428 6.667 1.00 30.01 O ATOM 968 CB LEU A 60 -0.601 -0.612 5.680 1.00 45.44 C ATOM 969 CG LEU A 60 0.676 0.079 5.155 1.00 31.44 C ATOM 970 CD1 LEU A 60 1.046 1.292 6.000 1.00 31.22 C ATOM 971 CD2 LEU A 60 1.839 -0.907 5.103 1.00 33.13 C ATOM 0 H LEU A 60 -1.521 0.710 7.736 1.00 45.24 H new ATOM 0 HA LEU A 60 -1.896 0.878 4.823 1.00 3.33 H new ATOM 0 HB2 LEU A 60 -0.404 -0.977 6.688 1.00 45.44 H new ATOM 0 HB3 LEU A 60 -0.800 -1.485 5.058 1.00 45.44 H new ATOM 0 HG LEU A 60 0.467 0.429 4.144 1.00 31.44 H new ATOM 0 HD11 LEU A 60 1.950 1.752 5.600 1.00 31.22 H new ATOM 0 HD12 LEU A 60 0.230 2.014 5.976 1.00 31.22 H new ATOM 0 HD13 LEU A 60 1.223 0.978 7.029 1.00 31.22 H new ATOM 0 HD21 LEU A 60 2.729 -0.400 4.730 1.00 33.13 H new ATOM 0 HD22 LEU A 60 2.033 -1.293 6.103 1.00 33.13 H new ATOM 0 HD23 LEU A 60 1.586 -1.733 4.438 1.00 33.13 H new ATOM 983 N LYS A 61 -3.926 -0.506 4.703 1.00 52.14 N ATOM 984 CA LYS A 61 -5.123 -1.318 4.534 1.00 50.32 C ATOM 985 C LYS A 61 -4.890 -2.341 3.425 1.00 41.11 C ATOM 986 O LYS A 61 -4.343 -2.009 2.371 1.00 42.45 O ATOM 987 CB LYS A 61 -6.321 -0.420 4.185 1.00 1.03 C ATOM 988 CG LYS A 61 -7.621 -1.175 3.924 1.00 51.41 C ATOM 989 CD LYS A 61 -8.152 -1.865 5.175 1.00 50.04 C ATOM 990 CE LYS A 61 -9.435 -2.636 4.889 1.00 64.43 C ATOM 991 NZ LYS A 61 -9.204 -3.804 3.995 1.00 70.53 N ATOM 0 H LYS A 61 -3.779 0.172 3.955 1.00 52.14 H new ATOM 0 HA LYS A 61 -5.340 -1.842 5.465 1.00 50.32 H new ATOM 0 HB2 LYS A 61 -6.482 0.284 5.002 1.00 1.03 H new ATOM 0 HB3 LYS A 61 -6.073 0.168 3.301 1.00 1.03 H new ATOM 0 HG2 LYS A 61 -8.372 -0.480 3.548 1.00 51.41 H new ATOM 0 HG3 LYS A 61 -7.456 -1.919 3.144 1.00 51.41 H new ATOM 0 HD2 LYS A 61 -7.396 -2.547 5.564 1.00 50.04 H new ATOM 0 HD3 LYS A 61 -8.339 -1.121 5.950 1.00 50.04 H new ATOM 0 HE2 LYS A 61 -9.867 -2.980 5.829 1.00 64.43 H new ATOM 0 HE3 LYS A 61 -10.163 -1.968 4.429 1.00 64.43 H new ATOM 0 HZ1 LYS A 61 -9.942 -3.832 3.263 1.00 70.53 H new ATOM 0 HZ2 LYS A 61 -8.271 -3.716 3.543 1.00 70.53 H new ATOM 0 HZ3 LYS A 61 -9.237 -4.681 4.554 1.00 70.53 H new ATOM 1005 N GLY A 62 -5.293 -3.583 3.667 1.00 55.12 N ATOM 1006 CA GLY A 62 -5.117 -4.626 2.677 1.00 55.11 C ATOM 1007 C GLY A 62 -6.342 -4.795 1.799 1.00 11.24 C ATOM 1008 O GLY A 62 -7.473 -4.597 2.257 1.00 62.44 O ATOM 0 H GLY A 62 -5.739 -3.886 4.533 1.00 55.12 H new ATOM 0 HA2 GLY A 62 -4.255 -4.391 2.053 1.00 55.11 H new ATOM 0 HA3 GLY A 62 -4.899 -5.568 3.179 1.00 55.11 H new ATOM 1012 N PHE A 63 -6.112 -5.138 0.537 1.00 15.31 N ATOM 1013 CA PHE A 63 -7.186 -5.436 -0.413 1.00 45.33 C ATOM 1014 C PHE A 63 -6.768 -6.597 -1.306 1.00 42.12 C ATOM 1015 O PHE A 63 -5.588 -6.936 -1.376 1.00 0.53 O ATOM 1016 CB PHE A 63 -7.518 -4.214 -1.285 1.00 53.04 C ATOM 1017 CG PHE A 63 -8.235 -3.105 -0.553 1.00 50.14 C ATOM 1018 CD1 PHE A 63 -9.593 -3.204 -0.283 1.00 41.54 C ATOM 1019 CD2 PHE A 63 -7.556 -1.968 -0.143 1.00 10.45 C ATOM 1020 CE1 PHE A 63 -10.257 -2.192 0.381 1.00 43.32 C ATOM 1021 CE2 PHE A 63 -8.218 -0.953 0.521 1.00 63.31 C ATOM 1022 CZ PHE A 63 -9.569 -1.066 0.785 1.00 33.01 C ATOM 0 H PHE A 63 -5.176 -5.218 0.140 1.00 15.31 H new ATOM 0 HA PHE A 63 -8.077 -5.702 0.155 1.00 45.33 H new ATOM 0 HB2 PHE A 63 -6.592 -3.818 -1.703 1.00 53.04 H new ATOM 0 HB3 PHE A 63 -8.134 -4.537 -2.124 1.00 53.04 H new ATOM 0 HD1 PHE A 63 -10.137 -4.083 -0.596 1.00 41.54 H new ATOM 0 HD2 PHE A 63 -6.499 -1.875 -0.345 1.00 10.45 H new ATOM 0 HE1 PHE A 63 -11.314 -2.281 0.584 1.00 43.32 H new ATOM 0 HE2 PHE A 63 -7.679 -0.071 0.834 1.00 63.31 H new ATOM 0 HZ PHE A 63 -10.086 -0.274 1.307 1.00 33.01 H new ATOM 1032 N PHE A 64 -7.736 -7.200 -1.982 1.00 4.41 N ATOM 1033 CA PHE A 64 -7.463 -8.287 -2.915 1.00 30.11 C ATOM 1034 C PHE A 64 -7.573 -7.783 -4.348 1.00 22.15 C ATOM 1035 O PHE A 64 -8.128 -6.708 -4.593 1.00 1.30 O ATOM 1036 CB PHE A 64 -8.445 -9.445 -2.689 1.00 1.32 C ATOM 1037 CG PHE A 64 -8.244 -10.162 -1.374 1.00 3.43 C ATOM 1038 CD1 PHE A 64 -7.181 -11.040 -1.206 1.00 22.35 C ATOM 1039 CD2 PHE A 64 -9.112 -9.959 -0.311 1.00 70.04 C ATOM 1040 CE1 PHE A 64 -6.989 -11.698 -0.006 1.00 31.21 C ATOM 1041 CE2 PHE A 64 -8.922 -10.615 0.891 1.00 23.34 C ATOM 1042 CZ PHE A 64 -7.861 -11.485 1.044 1.00 11.54 C ATOM 0 H PHE A 64 -8.723 -6.954 -1.902 1.00 4.41 H new ATOM 0 HA PHE A 64 -6.450 -8.650 -2.742 1.00 30.11 H new ATOM 0 HB2 PHE A 64 -9.464 -9.060 -2.731 1.00 1.32 H new ATOM 0 HB3 PHE A 64 -8.342 -10.162 -3.503 1.00 1.32 H new ATOM 0 HD1 PHE A 64 -6.496 -11.211 -2.023 1.00 22.35 H new ATOM 0 HD2 PHE A 64 -9.945 -9.281 -0.424 1.00 70.04 H new ATOM 0 HE1 PHE A 64 -6.158 -12.378 0.111 1.00 31.21 H new ATOM 0 HE2 PHE A 64 -9.604 -10.447 1.711 1.00 23.34 H new ATOM 0 HZ PHE A 64 -7.713 -11.998 1.983 1.00 11.54 H new ATOM 1052 N ASP A 65 -7.038 -8.551 -5.294 1.00 73.35 N ATOM 1053 CA ASP A 65 -7.112 -8.174 -6.700 1.00 20.45 C ATOM 1054 C ASP A 65 -8.561 -8.253 -7.167 1.00 33.23 C ATOM 1055 O ASP A 65 -9.188 -9.313 -7.107 1.00 61.34 O ATOM 1056 CB ASP A 65 -6.220 -9.075 -7.571 1.00 71.42 C ATOM 1057 CG ASP A 65 -5.911 -8.455 -8.935 1.00 3.12 C ATOM 1058 OD1 ASP A 65 -6.793 -7.793 -9.518 1.00 44.54 O ATOM 1059 OD2 ASP A 65 -4.765 -8.611 -9.416 1.00 35.51 O ATOM 0 H ASP A 65 -6.553 -9.430 -5.114 1.00 73.35 H new ATOM 0 HA ASP A 65 -6.747 -7.152 -6.805 1.00 20.45 H new ATOM 0 HB2 ASP A 65 -5.286 -9.272 -7.045 1.00 71.42 H new ATOM 0 HB3 ASP A 65 -6.713 -10.036 -7.716 1.00 71.42 H new ATOM 1064 N ASP A 66 -9.084 -7.122 -7.611 1.00 30.54 N ATOM 1065 CA ASP A 66 -10.494 -7.002 -7.974 1.00 31.13 C ATOM 1066 C ASP A 66 -10.697 -7.261 -9.469 1.00 63.31 C ATOM 1067 O ASP A 66 -11.828 -7.291 -9.960 1.00 12.21 O ATOM 1068 CB ASP A 66 -10.990 -5.600 -7.585 1.00 2.25 C ATOM 1069 CG ASP A 66 -12.494 -5.424 -7.722 1.00 72.34 C ATOM 1070 OD1 ASP A 66 -13.245 -6.108 -6.994 1.00 54.45 O ATOM 1071 OD2 ASP A 66 -12.926 -4.585 -8.540 1.00 44.20 O ATOM 0 H ASP A 66 -8.549 -6.262 -7.731 1.00 30.54 H new ATOM 0 HA ASP A 66 -11.073 -7.752 -7.435 1.00 31.13 H new ATOM 0 HB2 ASP A 66 -10.702 -5.395 -6.554 1.00 2.25 H new ATOM 0 HB3 ASP A 66 -10.488 -4.861 -8.209 1.00 2.25 H new ATOM 1205 N THR A 75 -4.470 -3.545 -12.181 1.00 72.40 N ATOM 1206 CA THR A 75 -4.026 -2.981 -10.910 1.00 13.24 C ATOM 1207 C THR A 75 -5.065 -1.993 -10.378 1.00 21.11 C ATOM 1208 O THR A 75 -4.795 -1.221 -9.455 1.00 72.21 O ATOM 1209 CB THR A 75 -2.664 -2.260 -11.085 1.00 63.34 C ATOM 1210 OG1 THR A 75 -2.719 -1.383 -12.223 1.00 41.54 O ATOM 1211 CG2 THR A 75 -1.524 -3.258 -11.268 1.00 55.22 C ATOM 0 HA THR A 75 -3.907 -3.795 -10.195 1.00 13.24 H new ATOM 0 HB THR A 75 -2.472 -1.683 -10.180 1.00 63.34 H new ATOM 0 HG1 THR A 75 -3.415 -1.691 -12.840 1.00 41.54 H new ATOM 0 HG21 THR A 75 -0.584 -2.719 -11.388 1.00 55.22 H new ATOM 0 HG22 THR A 75 -1.462 -3.905 -10.393 1.00 55.22 H new ATOM 0 HG23 THR A 75 -1.710 -3.864 -12.154 1.00 55.22 H new ATOM 1219 N LYS A 76 -6.268 -2.039 -10.953 1.00 11.31 N ATOM 1220 CA LYS A 76 -7.313 -1.072 -10.627 1.00 5.23 C ATOM 1221 C LYS A 76 -8.474 -1.743 -9.893 1.00 24.51 C ATOM 1222 O LYS A 76 -9.296 -2.426 -10.497 1.00 42.24 O ATOM 1223 CB LYS A 76 -7.808 -0.376 -11.906 1.00 53.43 C ATOM 1224 CG LYS A 76 -8.938 0.626 -11.676 1.00 54.33 C ATOM 1225 CD LYS A 76 -8.542 1.722 -10.688 1.00 41.43 C ATOM 1226 CE LYS A 76 -9.674 2.717 -10.467 1.00 73.11 C ATOM 1227 NZ LYS A 76 -10.887 2.076 -9.891 1.00 64.11 N ATOM 0 H LYS A 76 -6.541 -2.736 -11.646 1.00 11.31 H new ATOM 0 HA LYS A 76 -6.889 -0.321 -9.961 1.00 5.23 H new ATOM 0 HB2 LYS A 76 -6.969 0.140 -12.373 1.00 53.43 H new ATOM 0 HB3 LYS A 76 -8.148 -1.135 -12.611 1.00 53.43 H new ATOM 0 HG2 LYS A 76 -9.219 1.080 -12.627 1.00 54.33 H new ATOM 0 HG3 LYS A 76 -9.817 0.101 -11.301 1.00 54.33 H new ATOM 0 HD2 LYS A 76 -8.263 1.270 -9.736 1.00 41.43 H new ATOM 0 HD3 LYS A 76 -7.663 2.248 -11.061 1.00 41.43 H new ATOM 0 HE2 LYS A 76 -9.333 3.509 -9.800 1.00 73.11 H new ATOM 0 HE3 LYS A 76 -9.931 3.188 -11.416 1.00 73.11 H new ATOM 0 HZ1 LYS A 76 -11.503 2.806 -9.480 1.00 64.11 H new ATOM 0 HZ2 LYS A 76 -11.402 1.571 -10.640 1.00 64.11 H new ATOM 0 HZ3 LYS A 76 -10.605 1.403 -9.150 1.00 64.11 H new ATOM 1241 N ILE A 77 -8.524 -1.553 -8.580 1.00 11.04 N ATOM 1242 CA ILE A 77 -9.607 -2.088 -7.767 1.00 71.32 C ATOM 1243 C ILE A 77 -10.818 -1.154 -7.831 1.00 31.22 C ATOM 1244 O ILE A 77 -10.671 0.070 -7.719 1.00 5.40 O ATOM 1245 CB ILE A 77 -9.156 -2.275 -6.293 1.00 72.41 C ATOM 1246 CG1 ILE A 77 -7.945 -3.224 -6.224 1.00 54.13 C ATOM 1247 CG2 ILE A 77 -10.306 -2.792 -5.425 1.00 21.43 C ATOM 1248 CD1 ILE A 77 -7.391 -3.411 -4.826 1.00 72.05 C ATOM 0 H ILE A 77 -7.823 -1.030 -8.055 1.00 11.04 H new ATOM 0 HA ILE A 77 -9.884 -3.064 -8.165 1.00 71.32 H new ATOM 0 HB ILE A 77 -8.858 -1.303 -5.900 1.00 72.41 H new ATOM 0 HG12 ILE A 77 -8.234 -4.196 -6.623 1.00 54.13 H new ATOM 0 HG13 ILE A 77 -7.156 -2.837 -6.869 1.00 54.13 H new ATOM 0 HG21 ILE A 77 -9.961 -2.913 -4.398 1.00 21.43 H new ATOM 0 HG22 ILE A 77 -11.129 -2.078 -5.449 1.00 21.43 H new ATOM 0 HG23 ILE A 77 -10.648 -3.753 -5.809 1.00 21.43 H new ATOM 0 HD11 ILE A 77 -6.541 -4.092 -4.860 1.00 72.05 H new ATOM 0 HD12 ILE A 77 -7.069 -2.448 -4.430 1.00 72.05 H new ATOM 0 HD13 ILE A 77 -8.164 -3.828 -4.181 1.00 72.05 H new ATOM 1260 N SER A 78 -12.001 -1.727 -8.033 1.00 22.22 N ATOM 1261 CA SER A 78 -13.225 -0.943 -8.161 1.00 1.44 C ATOM 1262 C SER A 78 -13.685 -0.413 -6.803 1.00 13.42 C ATOM 1263 O SER A 78 -13.832 0.799 -6.620 1.00 43.21 O ATOM 1264 CB SER A 78 -14.322 -1.788 -8.813 1.00 72.41 C ATOM 1265 OG SER A 78 -13.871 -2.333 -10.040 1.00 41.40 O ATOM 0 H SER A 78 -12.138 -2.735 -8.112 1.00 22.22 H new ATOM 0 HA SER A 78 -13.018 -0.083 -8.798 1.00 1.44 H new ATOM 0 HB2 SER A 78 -14.618 -2.592 -8.139 1.00 72.41 H new ATOM 0 HB3 SER A 78 -15.207 -1.175 -8.985 1.00 72.41 H new ATOM 0 HG SER A 78 -13.433 -3.194 -9.874 1.00 41.40 H new ATOM 1271 N THR A 79 -13.879 -1.321 -5.843 1.00 23.14 N ATOM 1272 CA THR A 79 -14.367 -0.947 -4.513 1.00 4.14 C ATOM 1273 C THR A 79 -13.408 0.033 -3.825 1.00 22.30 C ATOM 1274 O THR A 79 -13.802 0.774 -2.920 1.00 13.22 O ATOM 1275 CB THR A 79 -14.587 -2.197 -3.618 1.00 33.02 C ATOM 1276 OG1 THR A 79 -15.202 -1.814 -2.382 1.00 73.41 O ATOM 1277 CG2 THR A 79 -13.275 -2.933 -3.333 1.00 14.14 C ATOM 0 H THR A 79 -13.706 -2.319 -5.962 1.00 23.14 H new ATOM 0 HA THR A 79 -15.328 -0.451 -4.651 1.00 4.14 H new ATOM 0 HB THR A 79 -15.242 -2.878 -4.162 1.00 33.02 H new ATOM 0 HG1 THR A 79 -15.338 -2.608 -1.825 1.00 73.41 H new ATOM 0 HG21 THR A 79 -13.474 -3.801 -2.704 1.00 14.14 H new ATOM 0 HG22 THR A 79 -12.830 -3.260 -4.273 1.00 14.14 H new ATOM 0 HG23 THR A 79 -12.586 -2.263 -2.819 1.00 14.14 H new ATOM 1285 N LEU A 80 -12.154 0.043 -4.278 1.00 23.22 N ATOM 1286 CA LEU A 80 -11.131 0.930 -3.724 1.00 2.22 C ATOM 1287 C LEU A 80 -11.519 2.392 -3.924 1.00 72.45 C ATOM 1288 O LEU A 80 -11.289 3.225 -3.052 1.00 40.32 O ATOM 1289 CB LEU A 80 -9.771 0.658 -4.383 1.00 3.10 C ATOM 1290 CG LEU A 80 -8.604 1.534 -3.891 1.00 52.52 C ATOM 1291 CD1 LEU A 80 -8.372 1.334 -2.397 1.00 60.52 C ATOM 1292 CD2 LEU A 80 -7.334 1.227 -4.683 1.00 0.03 C ATOM 0 H LEU A 80 -11.821 -0.558 -5.032 1.00 23.22 H new ATOM 0 HA LEU A 80 -11.054 0.731 -2.655 1.00 2.22 H new ATOM 0 HB2 LEU A 80 -9.511 -0.388 -4.219 1.00 3.10 H new ATOM 0 HB3 LEU A 80 -9.875 0.795 -5.459 1.00 3.10 H new ATOM 0 HG LEU A 80 -8.866 2.579 -4.055 1.00 52.52 H new ATOM 0 HD11 LEU A 80 -7.543 1.962 -2.070 1.00 60.52 H new ATOM 0 HD12 LEU A 80 -9.273 1.608 -1.849 1.00 60.52 H new ATOM 0 HD13 LEU A 80 -8.133 0.288 -2.203 1.00 60.52 H new ATOM 0 HD21 LEU A 80 -6.519 1.855 -4.322 1.00 0.03 H new ATOM 0 HD22 LEU A 80 -7.069 0.178 -4.553 1.00 0.03 H new ATOM 0 HD23 LEU A 80 -7.507 1.429 -5.740 1.00 0.03 H new ATOM 1304 N ASP A 81 -12.116 2.689 -5.074 1.00 13.11 N ATOM 1305 CA ASP A 81 -12.511 4.057 -5.413 1.00 32.40 C ATOM 1306 C ASP A 81 -13.483 4.602 -4.367 1.00 41.02 C ATOM 1307 O ASP A 81 -13.316 5.710 -3.850 1.00 71.30 O ATOM 1308 CB ASP A 81 -13.163 4.078 -6.800 1.00 4.03 C ATOM 1309 CG ASP A 81 -13.461 5.483 -7.307 1.00 71.33 C ATOM 1310 OD1 ASP A 81 -14.562 6.004 -7.035 1.00 41.34 O ATOM 1311 OD2 ASP A 81 -12.601 6.058 -8.014 1.00 63.51 O ATOM 0 H ASP A 81 -12.339 1.999 -5.792 1.00 13.11 H new ATOM 0 HA ASP A 81 -11.624 4.690 -5.425 1.00 32.40 H new ATOM 0 HB2 ASP A 81 -12.506 3.575 -7.510 1.00 4.03 H new ATOM 0 HB3 ASP A 81 -14.091 3.508 -6.766 1.00 4.03 H new ATOM 1316 N GLU A 82 -14.478 3.787 -4.046 1.00 32.54 N ATOM 1317 CA GLU A 82 -15.517 4.147 -3.088 1.00 45.04 C ATOM 1318 C GLU A 82 -14.957 4.178 -1.663 1.00 0.55 C ATOM 1319 O GLU A 82 -15.405 4.959 -0.823 1.00 53.23 O ATOM 1320 CB GLU A 82 -16.674 3.149 -3.216 1.00 71.01 C ATOM 1321 CG GLU A 82 -17.337 3.183 -4.596 1.00 60.23 C ATOM 1322 CD GLU A 82 -17.950 1.854 -5.007 1.00 54.12 C ATOM 1323 OE1 GLU A 82 -19.042 1.513 -4.512 1.00 71.34 O ATOM 1324 OE2 GLU A 82 -17.336 1.140 -5.827 1.00 5.33 O ATOM 0 H GLU A 82 -14.589 2.854 -4.443 1.00 32.54 H new ATOM 0 HA GLU A 82 -15.887 5.149 -3.305 1.00 45.04 H new ATOM 0 HB2 GLU A 82 -16.303 2.143 -3.021 1.00 71.01 H new ATOM 0 HB3 GLU A 82 -17.422 3.367 -2.453 1.00 71.01 H new ATOM 0 HG2 GLU A 82 -18.113 3.948 -4.599 1.00 60.23 H new ATOM 0 HG3 GLU A 82 -16.596 3.478 -5.339 1.00 60.23 H new ATOM 1331 N TYR A 83 -13.967 3.327 -1.407 1.00 41.41 N ATOM 1332 CA TYR A 83 -13.267 3.309 -0.124 1.00 4.31 C ATOM 1333 C TYR A 83 -12.498 4.616 0.089 1.00 72.14 C ATOM 1334 O TYR A 83 -12.661 5.284 1.113 1.00 21.44 O ATOM 1335 CB TYR A 83 -12.318 2.099 -0.065 1.00 5.33 C ATOM 1336 CG TYR A 83 -11.255 2.178 1.020 1.00 11.51 C ATOM 1337 CD1 TYR A 83 -11.569 1.955 2.358 1.00 30.33 C ATOM 1338 CD2 TYR A 83 -9.935 2.471 0.698 1.00 14.50 C ATOM 1339 CE1 TYR A 83 -10.596 2.024 3.339 1.00 23.31 C ATOM 1340 CE2 TYR A 83 -8.960 2.540 1.672 1.00 72.45 C ATOM 1341 CZ TYR A 83 -9.294 2.319 2.990 1.00 51.31 C ATOM 1342 OH TYR A 83 -8.318 2.388 3.960 1.00 11.10 O ATOM 0 H TYR A 83 -13.629 2.636 -2.076 1.00 41.41 H new ATOM 0 HA TYR A 83 -14.000 3.218 0.678 1.00 4.31 H new ATOM 0 HB2 TYR A 83 -12.910 1.197 0.090 1.00 5.33 H new ATOM 0 HB3 TYR A 83 -11.825 1.994 -1.031 1.00 5.33 H new ATOM 0 HD1 TYR A 83 -12.587 1.725 2.634 1.00 30.33 H new ATOM 0 HD2 TYR A 83 -9.668 2.648 -0.333 1.00 14.50 H new ATOM 0 HE1 TYR A 83 -10.854 1.848 4.373 1.00 23.31 H new ATOM 0 HE2 TYR A 83 -7.939 2.766 1.402 1.00 72.45 H new ATOM 0 HH TYR A 83 -7.605 2.992 3.664 1.00 11.10 H new ATOM 1352 N ILE A 84 -11.671 4.977 -0.892 1.00 64.32 N ATOM 1353 CA ILE A 84 -10.874 6.201 -0.831 1.00 71.05 C ATOM 1354 C ILE A 84 -11.781 7.418 -0.658 1.00 33.11 C ATOM 1355 O ILE A 84 -11.455 8.347 0.082 1.00 65.24 O ATOM 1356 CB ILE A 84 -10.003 6.373 -2.105 1.00 50.52 C ATOM 1357 CG1 ILE A 84 -8.988 5.222 -2.224 1.00 13.43 C ATOM 1358 CG2 ILE A 84 -9.287 7.721 -2.104 1.00 4.21 C ATOM 1359 CD1 ILE A 84 -8.011 5.133 -1.069 1.00 73.43 C ATOM 0 H ILE A 84 -11.535 4.434 -1.745 1.00 64.32 H new ATOM 0 HA ILE A 84 -10.210 6.120 0.030 1.00 71.05 H new ATOM 0 HB ILE A 84 -10.664 6.344 -2.971 1.00 50.52 H new ATOM 0 HG12 ILE A 84 -9.531 4.280 -2.299 1.00 13.43 H new ATOM 0 HG13 ILE A 84 -8.427 5.341 -3.151 1.00 13.43 H new ATOM 0 HG21 ILE A 84 -8.685 7.814 -3.008 1.00 4.21 H new ATOM 0 HG22 ILE A 84 -10.023 8.524 -2.075 1.00 4.21 H new ATOM 0 HG23 ILE A 84 -8.641 7.789 -1.229 1.00 4.21 H new ATOM 0 HD11 ILE A 84 -7.331 4.296 -1.231 1.00 73.43 H new ATOM 0 HD12 ILE A 84 -7.438 6.058 -1.005 1.00 73.43 H new ATOM 0 HD13 ILE A 84 -8.559 4.980 -0.139 1.00 73.43 H new ATOM 1371 N TYR A 85 -12.929 7.386 -1.334 1.00 54.10 N ATOM 1372 CA TYR A 85 -13.920 8.452 -1.237 1.00 42.51 C ATOM 1373 C TYR A 85 -14.242 8.779 0.224 1.00 64.30 C ATOM 1374 O TYR A 85 -14.268 9.948 0.614 1.00 12.41 O ATOM 1375 CB TYR A 85 -15.203 8.064 -1.990 1.00 74.03 C ATOM 1376 CG TYR A 85 -16.392 8.958 -1.682 1.00 13.35 C ATOM 1377 CD1 TYR A 85 -16.485 10.242 -2.213 1.00 53.12 C ATOM 1378 CD2 TYR A 85 -17.417 8.521 -0.848 1.00 30.54 C ATOM 1379 CE1 TYR A 85 -17.563 11.058 -1.924 1.00 14.31 C ATOM 1380 CE2 TYR A 85 -18.494 9.331 -0.554 1.00 1.23 C ATOM 1381 CZ TYR A 85 -18.565 10.597 -1.093 1.00 21.32 C ATOM 1382 OH TYR A 85 -19.643 11.409 -0.798 1.00 24.51 O ATOM 0 H TYR A 85 -13.195 6.625 -1.959 1.00 54.10 H new ATOM 0 HA TYR A 85 -13.496 9.344 -1.698 1.00 42.51 H new ATOM 0 HB2 TYR A 85 -15.007 8.094 -3.062 1.00 74.03 H new ATOM 0 HB3 TYR A 85 -15.461 7.035 -1.742 1.00 74.03 H new ATOM 0 HD1 TYR A 85 -15.702 10.606 -2.861 1.00 53.12 H new ATOM 0 HD2 TYR A 85 -17.368 7.529 -0.423 1.00 30.54 H new ATOM 0 HE1 TYR A 85 -17.621 12.051 -2.346 1.00 14.31 H new ATOM 0 HE2 TYR A 85 -19.279 8.974 0.096 1.00 1.23 H new ATOM 0 HH TYR A 85 -20.257 10.933 -0.201 1.00 24.51 H new ATOM 1392 N GLU A 86 -14.465 7.740 1.028 1.00 50.02 N ATOM 1393 CA GLU A 86 -14.835 7.922 2.430 1.00 43.34 C ATOM 1394 C GLU A 86 -13.713 8.582 3.230 1.00 34.30 C ATOM 1395 O GLU A 86 -13.970 9.279 4.218 1.00 4.32 O ATOM 1396 CB GLU A 86 -15.190 6.576 3.083 1.00 51.53 C ATOM 1397 CG GLU A 86 -16.388 5.869 2.461 1.00 0.00 C ATOM 1398 CD GLU A 86 -16.823 4.660 3.272 1.00 63.32 C ATOM 1399 OE1 GLU A 86 -16.276 3.558 3.060 1.00 24.12 O ATOM 1400 OE2 GLU A 86 -17.705 4.811 4.147 1.00 24.43 O ATOM 0 H GLU A 86 -14.396 6.766 0.733 1.00 50.02 H new ATOM 0 HA GLU A 86 -15.707 8.576 2.443 1.00 43.34 H new ATOM 0 HB2 GLU A 86 -14.324 5.917 3.022 1.00 51.53 H new ATOM 0 HB3 GLU A 86 -15.391 6.742 4.141 1.00 51.53 H new ATOM 0 HG2 GLU A 86 -17.220 6.569 2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -16.137 5.554 1.448 1.00 0.00 H new ATOM 1407 N TYR A 87 -12.470 8.366 2.811 1.00 31.10 N ATOM 1408 CA TYR A 87 -11.319 8.811 3.590 1.00 65.21 C ATOM 1409 C TYR A 87 -10.469 9.830 2.835 1.00 14.21 C ATOM 1410 O TYR A 87 -10.770 11.026 2.842 1.00 23.23 O ATOM 1411 CB TYR A 87 -10.472 7.601 4.018 1.00 44.12 C ATOM 1412 CG TYR A 87 -11.251 6.595 4.843 1.00 71.43 C ATOM 1413 CD1 TYR A 87 -11.471 6.807 6.198 1.00 55.21 C ATOM 1414 CD2 TYR A 87 -11.783 5.445 4.266 1.00 2.41 C ATOM 1415 CE1 TYR A 87 -12.195 5.907 6.953 1.00 31.24 C ATOM 1416 CE2 TYR A 87 -12.506 4.538 5.016 1.00 70.15 C ATOM 1417 CZ TYR A 87 -12.712 4.774 6.359 1.00 33.15 C ATOM 1418 OH TYR A 87 -13.442 3.878 7.113 1.00 51.01 O ATOM 0 H TYR A 87 -12.234 7.888 1.941 1.00 31.10 H new ATOM 0 HA TYR A 87 -11.697 9.314 4.480 1.00 65.21 H new ATOM 0 HB2 TYR A 87 -10.079 7.107 3.129 1.00 44.12 H new ATOM 0 HB3 TYR A 87 -9.615 7.950 4.594 1.00 44.12 H new ATOM 0 HD1 TYR A 87 -11.068 7.692 6.669 1.00 55.21 H new ATOM 0 HD2 TYR A 87 -11.628 5.259 3.214 1.00 2.41 H new ATOM 0 HE1 TYR A 87 -12.356 6.089 8.005 1.00 31.24 H new ATOM 0 HE2 TYR A 87 -12.908 3.649 4.553 1.00 70.15 H new ATOM 0 HH TYR A 87 -13.735 3.135 6.545 1.00 51.01 H new ATOM 1428 N CYS A 88 -9.428 9.357 2.158 1.00 2.13 N ATOM 1429 CA CYS A 88 -8.414 10.247 1.600 1.00 3.33 C ATOM 1430 C CYS A 88 -8.708 10.570 0.138 1.00 50.54 C ATOM 1431 O CYS A 88 -7.831 10.476 -0.723 1.00 42.33 O ATOM 1432 CB CYS A 88 -7.023 9.613 1.750 1.00 72.12 C ATOM 1433 SG CYS A 88 -5.678 10.839 1.830 1.00 54.12 S ATOM 0 H CYS A 88 -9.264 8.366 1.982 1.00 2.13 H new ATOM 0 HA CYS A 88 -8.435 11.186 2.154 1.00 3.33 H new ATOM 0 HB2 CYS A 88 -7.004 9.004 2.654 1.00 72.12 H new ATOM 0 HB3 CYS A 88 -6.844 8.942 0.910 1.00 72.12 H new ATOM 1438 N ASN A 89 -9.948 10.969 -0.138 1.00 31.30 N ATOM 1439 CA ASN A 89 -10.353 11.326 -1.497 1.00 64.22 C ATOM 1440 C ASN A 89 -9.675 12.626 -1.937 1.00 13.01 C ATOM 1441 O ASN A 89 -9.323 12.787 -3.109 1.00 61.41 O ATOM 1442 CB ASN A 89 -11.882 11.460 -1.597 1.00 51.05 C ATOM 1443 CG ASN A 89 -12.433 12.634 -0.800 1.00 61.34 C ATOM 1444 OD1 ASN A 89 -12.522 13.752 -1.309 1.00 45.23 O ATOM 1445 ND2 ASN A 89 -12.832 12.387 0.440 1.00 52.11 N ATOM 0 H ASN A 89 -10.688 11.053 0.559 1.00 31.30 H new ATOM 0 HA ASN A 89 -10.036 10.525 -2.165 1.00 64.22 H new ATOM 0 HB2 ASN A 89 -12.163 11.576 -2.644 1.00 51.05 H new ATOM 0 HB3 ASN A 89 -12.345 10.539 -1.243 1.00 51.05 H new ATOM 0 HD21 ASN A 89 -13.229 13.136 1.007 1.00 52.11 H new ATOM 0 HD22 ASN A 89 -12.742 11.448 0.827 1.00 52.11 H new ATOM 1452 N PHE A 90 -9.491 13.546 -0.990 1.00 62.15 N ATOM 1453 CA PHE A 90 -8.825 14.820 -1.253 1.00 23.41 C ATOM 1454 C PHE A 90 -8.548 15.546 0.063 1.00 32.40 C ATOM 1455 O PHE A 90 -9.343 15.470 1.002 1.00 32.50 O ATOM 1456 CB PHE A 90 -9.681 15.708 -2.176 1.00 2.31 C ATOM 1457 CG PHE A 90 -9.022 17.014 -2.550 1.00 22.21 C ATOM 1458 CD1 PHE A 90 -7.907 17.030 -3.379 1.00 10.12 C ATOM 1459 CD2 PHE A 90 -9.512 18.222 -2.072 1.00 40.13 C ATOM 1460 CE1 PHE A 90 -7.298 18.223 -3.724 1.00 32.41 C ATOM 1461 CE2 PHE A 90 -8.905 19.417 -2.414 1.00 23.21 C ATOM 1462 CZ PHE A 90 -7.798 19.416 -3.242 1.00 71.21 C ATOM 0 H PHE A 90 -9.798 13.430 -0.024 1.00 62.15 H new ATOM 0 HA PHE A 90 -7.880 14.615 -1.756 1.00 23.41 H new ATOM 0 HB2 PHE A 90 -9.911 15.154 -3.086 1.00 2.31 H new ATOM 0 HB3 PHE A 90 -10.630 15.919 -1.683 1.00 2.31 H new ATOM 0 HD1 PHE A 90 -7.511 16.100 -3.759 1.00 10.12 H new ATOM 0 HD2 PHE A 90 -10.377 18.229 -1.426 1.00 40.13 H new ATOM 0 HE1 PHE A 90 -6.432 18.221 -4.370 1.00 32.41 H new ATOM 0 HE2 PHE A 90 -9.295 20.350 -2.035 1.00 23.21 H new ATOM 0 HZ PHE A 90 -7.324 20.348 -3.512 1.00 71.21 H new ATOM 1472 N GLY A 91 -7.418 16.250 0.130 1.00 75.05 N ATOM 1473 CA GLY A 91 -7.047 16.979 1.336 1.00 60.05 C ATOM 1474 C GLY A 91 -5.952 16.280 2.118 1.00 71.43 C ATOM 1475 O GLY A 91 -5.446 16.806 3.113 1.00 74.00 O ATOM 0 H GLY A 91 -6.748 16.329 -0.635 1.00 75.05 H new ATOM 0 HA2 GLY A 91 -6.713 17.980 1.064 1.00 60.05 H new ATOM 0 HA3 GLY A 91 -7.925 17.097 1.971 1.00 60.05 H new ATOM 1479 N CYS A 92 -5.591 15.091 1.660 1.00 34.51 N ATOM 1480 CA CYS A 92 -4.528 14.297 2.266 1.00 70.54 C ATOM 1481 C CYS A 92 -3.846 13.466 1.184 1.00 64.21 C ATOM 1482 O CYS A 92 -4.001 13.755 -0.003 1.00 34.11 O ATOM 1483 CB CYS A 92 -5.107 13.403 3.368 1.00 10.13 C ATOM 1484 SG CYS A 92 -6.523 12.389 2.830 1.00 4.01 S ATOM 0 H CYS A 92 -6.028 14.646 0.853 1.00 34.51 H new ATOM 0 HA CYS A 92 -3.787 14.953 2.722 1.00 70.54 H new ATOM 0 HB2 CYS A 92 -4.321 12.745 3.738 1.00 10.13 H new ATOM 0 HB3 CYS A 92 -5.418 14.029 4.204 1.00 10.13 H new ATOM 1489 N ALA A 93 -3.099 12.443 1.583 1.00 11.22 N ATOM 1490 CA ALA A 93 -2.364 11.622 0.629 1.00 40.01 C ATOM 1491 C ALA A 93 -2.562 10.136 0.908 1.00 74.25 C ATOM 1492 O ALA A 93 -2.848 9.738 2.043 1.00 42.51 O ATOM 1493 CB ALA A 93 -0.885 11.985 0.673 1.00 13.31 C ATOM 0 H ALA A 93 -2.987 12.163 2.557 1.00 11.22 H new ATOM 0 HA ALA A 93 -2.752 11.821 -0.370 1.00 40.01 H new ATOM 0 HB1 ALA A 93 -0.338 11.370 -0.041 1.00 13.31 H new ATOM 0 HB2 ALA A 93 -0.761 13.037 0.416 1.00 13.31 H new ATOM 0 HB3 ALA A 93 -0.497 11.809 1.676 1.00 13.31 H new ATOM 1499 N TYR A 94 -2.406 9.326 -0.136 1.00 34.53 N ATOM 1500 CA TYR A 94 -2.484 7.872 -0.023 1.00 31.32 C ATOM 1501 C TYR A 94 -1.686 7.230 -1.158 1.00 11.14 C ATOM 1502 O TYR A 94 -1.352 7.895 -2.145 1.00 31.02 O ATOM 1503 CB TYR A 94 -3.947 7.386 -0.049 1.00 4.32 C ATOM 1504 CG TYR A 94 -4.632 7.513 -1.401 1.00 41.51 C ATOM 1505 CD1 TYR A 94 -5.212 8.710 -1.807 1.00 34.44 C ATOM 1506 CD2 TYR A 94 -4.702 6.425 -2.268 1.00 44.54 C ATOM 1507 CE1 TYR A 94 -5.837 8.819 -3.035 1.00 73.42 C ATOM 1508 CE2 TYR A 94 -5.323 6.529 -3.496 1.00 73.13 C ATOM 1509 CZ TYR A 94 -5.891 7.727 -3.875 1.00 72.22 C ATOM 1510 OH TYR A 94 -6.507 7.833 -5.101 1.00 62.20 O ATOM 0 H TYR A 94 -2.222 9.658 -1.083 1.00 34.53 H new ATOM 0 HA TYR A 94 -2.057 7.574 0.934 1.00 31.32 H new ATOM 0 HB2 TYR A 94 -3.975 6.341 0.261 1.00 4.32 H new ATOM 0 HB3 TYR A 94 -4.517 7.952 0.687 1.00 4.32 H new ATOM 0 HD1 TYR A 94 -5.173 9.568 -1.152 1.00 34.44 H new ATOM 0 HD2 TYR A 94 -4.262 5.483 -1.974 1.00 44.54 H new ATOM 0 HE1 TYR A 94 -6.282 9.756 -3.335 1.00 73.42 H new ATOM 0 HE2 TYR A 94 -5.364 5.676 -4.157 1.00 73.13 H new ATOM 0 HH TYR A 94 -6.147 7.153 -5.708 1.00 62.20 H new ATOM 1520 N PHE A 95 -1.385 5.944 -1.023 1.00 11.54 N ATOM 1521 CA PHE A 95 -0.597 5.223 -2.022 1.00 74.12 C ATOM 1522 C PHE A 95 -1.070 3.780 -2.156 1.00 74.13 C ATOM 1523 O PHE A 95 -1.645 3.219 -1.222 1.00 21.04 O ATOM 1524 CB PHE A 95 0.894 5.269 -1.655 1.00 21.44 C ATOM 1525 CG PHE A 95 1.201 4.804 -0.251 1.00 72.33 C ATOM 1526 CD1 PHE A 95 1.395 3.457 0.028 1.00 22.31 C ATOM 1527 CD2 PHE A 95 1.311 5.718 0.789 1.00 34.51 C ATOM 1528 CE1 PHE A 95 1.690 3.035 1.310 1.00 24.32 C ATOM 1529 CE2 PHE A 95 1.603 5.300 2.072 1.00 74.54 C ATOM 1530 CZ PHE A 95 1.795 3.956 2.333 1.00 25.13 C ATOM 0 H PHE A 95 -1.675 5.374 -0.228 1.00 11.54 H new ATOM 0 HA PHE A 95 -0.737 5.712 -2.986 1.00 74.12 H new ATOM 0 HB2 PHE A 95 1.449 4.651 -2.360 1.00 21.44 H new ATOM 0 HB3 PHE A 95 1.255 6.291 -1.774 1.00 21.44 H new ATOM 0 HD1 PHE A 95 1.314 2.731 -0.767 1.00 22.31 H new ATOM 0 HD2 PHE A 95 1.166 6.770 0.591 1.00 34.51 H new ATOM 0 HE1 PHE A 95 1.838 1.984 1.512 1.00 24.32 H new ATOM 0 HE2 PHE A 95 1.681 6.022 2.871 1.00 74.54 H new ATOM 0 HZ PHE A 95 2.027 3.627 3.335 1.00 25.13 H new ATOM 1540 N VAL A 96 -0.821 3.189 -3.325 1.00 53.31 N ATOM 1541 CA VAL A 96 -1.227 1.815 -3.612 1.00 34.45 C ATOM 1542 C VAL A 96 -0.054 1.039 -4.218 1.00 45.31 C ATOM 1543 O VAL A 96 0.545 1.473 -5.211 1.00 54.32 O ATOM 1544 CB VAL A 96 -2.427 1.765 -4.601 1.00 20.13 C ATOM 1545 CG1 VAL A 96 -2.928 0.331 -4.781 1.00 31.52 C ATOM 1546 CG2 VAL A 96 -3.560 2.688 -4.144 1.00 33.43 C ATOM 0 H VAL A 96 -0.335 3.647 -4.095 1.00 53.31 H new ATOM 0 HA VAL A 96 -1.535 1.362 -2.670 1.00 34.45 H new ATOM 0 HB VAL A 96 -2.076 2.124 -5.569 1.00 20.13 H new ATOM 0 HG11 VAL A 96 -3.767 0.323 -5.477 1.00 31.52 H new ATOM 0 HG12 VAL A 96 -2.123 -0.289 -5.176 1.00 31.52 H new ATOM 0 HG13 VAL A 96 -3.252 -0.065 -3.818 1.00 31.52 H new ATOM 0 HG21 VAL A 96 -4.384 2.632 -4.855 1.00 33.43 H new ATOM 0 HG22 VAL A 96 -3.908 2.377 -3.159 1.00 33.43 H new ATOM 0 HG23 VAL A 96 -3.195 3.714 -4.092 1.00 33.43 H new ATOM 1556 N LEU A 97 0.277 -0.094 -3.604 1.00 71.43 N ATOM 1557 CA LEU A 97 1.338 -0.979 -4.092 1.00 32.11 C ATOM 1558 C LEU A 97 0.757 -2.351 -4.428 1.00 62.32 C ATOM 1559 O LEU A 97 -0.155 -2.822 -3.746 1.00 0.11 O ATOM 1560 CB LEU A 97 2.447 -1.147 -3.029 1.00 22.32 C ATOM 1561 CG LEU A 97 3.543 -0.064 -2.995 1.00 14.31 C ATOM 1562 CD1 LEU A 97 2.971 1.316 -2.683 1.00 74.24 C ATOM 1563 CD2 LEU A 97 4.616 -0.429 -1.975 1.00 74.32 C ATOM 0 H LEU A 97 -0.180 -0.427 -2.755 1.00 71.43 H new ATOM 0 HA LEU A 97 1.770 -0.529 -4.986 1.00 32.11 H new ATOM 0 HB2 LEU A 97 1.975 -1.184 -2.047 1.00 22.32 H new ATOM 0 HB3 LEU A 97 2.927 -2.112 -3.188 1.00 22.32 H new ATOM 0 HG LEU A 97 3.989 -0.020 -3.989 1.00 14.31 H new ATOM 0 HD11 LEU A 97 3.777 2.049 -2.669 1.00 74.24 H new ATOM 0 HD12 LEU A 97 2.245 1.590 -3.448 1.00 74.24 H new ATOM 0 HD13 LEU A 97 2.482 1.295 -1.709 1.00 74.24 H new ATOM 0 HD21 LEU A 97 5.384 0.345 -1.962 1.00 74.32 H new ATOM 0 HD22 LEU A 97 4.165 -0.510 -0.986 1.00 74.32 H new ATOM 0 HD23 LEU A 97 5.067 -1.383 -2.247 1.00 74.32 H new ATOM 1575 N LYS A 98 1.283 -2.990 -5.473 1.00 1.43 N ATOM 1576 CA LYS A 98 0.895 -4.360 -5.811 1.00 22.55 C ATOM 1577 C LYS A 98 2.092 -5.292 -5.662 1.00 1.31 C ATOM 1578 O LYS A 98 3.222 -4.915 -5.974 1.00 0.53 O ATOM 1579 CB LYS A 98 0.322 -4.458 -7.234 1.00 73.43 C ATOM 1580 CG LYS A 98 -0.120 -5.877 -7.605 1.00 61.22 C ATOM 1581 CD LYS A 98 -0.897 -5.923 -8.918 1.00 51.42 C ATOM 1582 CE LYS A 98 -1.468 -7.315 -9.187 1.00 25.30 C ATOM 1583 NZ LYS A 98 -2.485 -7.308 -10.278 1.00 45.03 N ATOM 0 H LYS A 98 1.977 -2.582 -6.099 1.00 1.43 H new ATOM 0 HA LYS A 98 0.109 -4.663 -5.119 1.00 22.55 H new ATOM 0 HB2 LYS A 98 -0.529 -3.783 -7.324 1.00 73.43 H new ATOM 0 HB3 LYS A 98 1.074 -4.120 -7.947 1.00 73.43 H new ATOM 0 HG2 LYS A 98 0.758 -6.519 -7.683 1.00 61.22 H new ATOM 0 HG3 LYS A 98 -0.740 -6.282 -6.805 1.00 61.22 H new ATOM 0 HD2 LYS A 98 -1.709 -5.196 -8.886 1.00 51.42 H new ATOM 0 HD3 LYS A 98 -0.242 -5.633 -9.739 1.00 51.42 H new ATOM 0 HE2 LYS A 98 -0.657 -7.993 -9.454 1.00 25.30 H new ATOM 0 HE3 LYS A 98 -1.920 -7.703 -8.274 1.00 25.30 H new ATOM 0 HZ1 LYS A 98 -3.056 -8.176 -10.226 1.00 45.03 H new ATOM 0 HZ2 LYS A 98 -3.104 -6.479 -10.170 1.00 45.03 H new ATOM 0 HZ3 LYS A 98 -2.005 -7.264 -11.200 1.00 45.03 H new ATOM 1597 N ARG A 99 1.829 -6.505 -5.183 1.00 51.43 N ATOM 1598 CA ARG A 99 2.874 -7.487 -4.901 1.00 15.34 C ATOM 1599 C ARG A 99 3.328 -8.166 -6.196 1.00 62.45 C ATOM 1600 O ARG A 99 2.591 -8.962 -6.783 1.00 33.20 O ATOM 1601 CB ARG A 99 2.336 -8.529 -3.899 1.00 70.33 C ATOM 1602 CG ARG A 99 3.373 -9.143 -2.956 1.00 52.12 C ATOM 1603 CD ARG A 99 4.420 -9.987 -3.678 1.00 22.11 C ATOM 1604 NE ARG A 99 5.177 -10.818 -2.735 1.00 34.50 N ATOM 1605 CZ ARG A 99 6.273 -11.515 -3.043 1.00 54.12 C ATOM 1606 NH1 ARG A 99 6.811 -11.430 -4.251 1.00 70.01 N ATOM 1607 NH2 ARG A 99 6.839 -12.290 -2.124 1.00 55.21 N ATOM 0 H ARG A 99 0.886 -6.836 -4.979 1.00 51.43 H new ATOM 0 HA ARG A 99 3.737 -6.984 -4.464 1.00 15.34 H new ATOM 0 HB2 ARG A 99 1.559 -8.059 -3.297 1.00 70.33 H new ATOM 0 HB3 ARG A 99 1.861 -9.334 -4.460 1.00 70.33 H new ATOM 0 HG2 ARG A 99 3.874 -8.345 -2.409 1.00 52.12 H new ATOM 0 HG3 ARG A 99 2.862 -9.763 -2.219 1.00 52.12 H new ATOM 0 HD2 ARG A 99 3.932 -10.623 -4.416 1.00 22.11 H new ATOM 0 HD3 ARG A 99 5.104 -9.335 -4.222 1.00 22.11 H new ATOM 0 HE ARG A 99 4.841 -10.867 -1.773 1.00 34.50 H new ATOM 0 HH11 ARG A 99 6.388 -10.827 -4.957 1.00 70.01 H new ATOM 0 HH12 ARG A 99 7.649 -11.967 -4.475 1.00 70.01 H new ATOM 0 HH21 ARG A 99 6.436 -12.350 -1.189 1.00 55.21 H new ATOM 0 HH22 ARG A 99 7.677 -12.825 -2.354 1.00 55.21 H new ATOM 1621 N ILE A 100 4.532 -7.837 -6.646 1.00 24.24 N ATOM 1622 CA ILE A 100 5.100 -8.450 -7.839 1.00 64.31 C ATOM 1623 C ILE A 100 5.576 -9.865 -7.515 1.00 25.10 C ATOM 1624 O ILE A 100 6.216 -10.097 -6.485 1.00 51.01 O ATOM 1625 CB ILE A 100 6.266 -7.607 -8.412 1.00 42.03 C ATOM 1626 CG1 ILE A 100 5.819 -6.149 -8.602 1.00 75.34 C ATOM 1627 CG2 ILE A 100 6.764 -8.196 -9.734 1.00 65.42 C ATOM 1628 CD1 ILE A 100 4.597 -5.995 -9.486 1.00 63.32 C ATOM 0 H ILE A 100 5.136 -7.146 -6.200 1.00 24.24 H new ATOM 0 HA ILE A 100 4.322 -8.495 -8.601 1.00 64.31 H new ATOM 0 HB ILE A 100 7.092 -7.630 -7.702 1.00 42.03 H new ATOM 0 HG12 ILE A 100 5.607 -5.713 -7.626 1.00 75.34 H new ATOM 0 HG13 ILE A 100 6.642 -5.579 -9.033 1.00 75.34 H new ATOM 0 HG21 ILE A 100 7.583 -7.588 -10.118 1.00 65.42 H new ATOM 0 HG22 ILE A 100 7.115 -9.215 -9.569 1.00 65.42 H new ATOM 0 HG23 ILE A 100 5.949 -8.206 -10.458 1.00 65.42 H new ATOM 0 HD11 ILE A 100 4.342 -4.939 -9.573 1.00 63.32 H new ATOM 0 HD12 ILE A 100 4.810 -6.400 -10.475 1.00 63.32 H new ATOM 0 HD13 ILE A 100 3.759 -6.536 -9.046 1.00 63.32 H new ATOM 1640 N ARG A 101 5.264 -10.808 -8.394 1.00 43.11 N ATOM 1641 CA ARG A 101 5.447 -12.227 -8.104 1.00 23.43 C ATOM 1642 C ARG A 101 6.849 -12.721 -8.465 1.00 41.44 C ATOM 1643 O ARG A 101 7.049 -13.341 -9.511 1.00 52.21 O ATOM 1644 CB ARG A 101 4.378 -13.049 -8.838 1.00 31.40 C ATOM 1645 CG ARG A 101 2.952 -12.623 -8.495 1.00 15.44 C ATOM 1646 CD ARG A 101 1.906 -13.444 -9.240 1.00 12.42 C ATOM 1647 NE ARG A 101 0.544 -12.986 -8.948 1.00 60.15 N ATOM 1648 CZ ARG A 101 -0.565 -13.642 -9.306 1.00 51.32 C ATOM 1649 NH1 ARG A 101 -0.480 -14.789 -9.971 1.00 22.45 N ATOM 1650 NH2 ARG A 101 -1.756 -13.140 -9.004 1.00 2.32 N ATOM 0 H ARG A 101 4.881 -10.616 -9.319 1.00 43.11 H new ATOM 0 HA ARG A 101 5.335 -12.361 -7.028 1.00 23.43 H new ATOM 0 HB2 ARG A 101 4.530 -12.954 -9.913 1.00 31.40 H new ATOM 0 HB3 ARG A 101 4.505 -14.103 -8.590 1.00 31.40 H new ATOM 0 HG2 ARG A 101 2.793 -12.725 -7.421 1.00 15.44 H new ATOM 0 HG3 ARG A 101 2.822 -11.568 -8.737 1.00 15.44 H new ATOM 0 HD2 ARG A 101 2.089 -13.379 -10.313 1.00 12.42 H new ATOM 0 HD3 ARG A 101 2.003 -14.494 -8.963 1.00 12.42 H new ATOM 0 HE ARG A 101 0.435 -12.109 -8.438 1.00 60.15 H new ATOM 0 HH11 ARG A 101 0.434 -15.173 -10.211 1.00 22.45 H new ATOM 0 HH12 ARG A 101 -1.329 -15.286 -10.242 1.00 22.45 H new ATOM 0 HH21 ARG A 101 -1.824 -12.256 -8.500 1.00 2.32 H new ATOM 0 HH22 ARG A 101 -2.603 -13.638 -9.276 1.00 2.32 H new ATOM 1664 N LYS A 102 7.819 -12.399 -7.605 1.00 44.10 N ATOM 1665 CA LYS A 102 9.156 -12.995 -7.670 1.00 43.34 C ATOM 1666 C LYS A 102 10.020 -12.544 -6.496 1.00 15.21 C ATOM 1667 O LYS A 102 10.382 -13.359 -5.648 1.00 70.03 O ATOM 1668 CB LYS A 102 9.894 -12.655 -8.972 1.00 65.02 C ATOM 1669 CG LYS A 102 11.304 -13.250 -9.006 1.00 12.21 C ATOM 1670 CD LYS A 102 12.131 -12.733 -10.173 1.00 64.42 C ATOM 1671 CE LYS A 102 13.587 -13.168 -10.052 1.00 10.32 C ATOM 1672 NZ LYS A 102 14.445 -12.506 -11.063 1.00 64.01 N ATOM 0 H LYS A 102 7.701 -11.723 -6.850 1.00 44.10 H new ATOM 0 HA LYS A 102 8.999 -14.073 -7.630 1.00 43.34 H new ATOM 0 HB2 LYS A 102 9.322 -13.030 -9.821 1.00 65.02 H new ATOM 0 HB3 LYS A 102 9.955 -11.572 -9.082 1.00 65.02 H new ATOM 0 HG2 LYS A 102 11.815 -13.016 -8.072 1.00 12.21 H new ATOM 0 HG3 LYS A 102 11.234 -14.336 -9.068 1.00 12.21 H new ATOM 0 HD2 LYS A 102 11.715 -13.104 -11.110 1.00 64.42 H new ATOM 0 HD3 LYS A 102 12.075 -11.645 -10.208 1.00 64.42 H new ATOM 0 HE2 LYS A 102 13.955 -12.933 -9.053 1.00 10.32 H new ATOM 0 HE3 LYS A 102 13.654 -14.249 -10.170 1.00 10.32 H new ATOM 0 HZ1 LYS A 102 15.427 -12.827 -10.949 1.00 64.01 H new ATOM 0 HZ2 LYS A 102 14.110 -12.750 -12.017 1.00 64.01 H new ATOM 0 HZ3 LYS A 102 14.401 -11.475 -10.934 1.00 64.01 H new ATOM 1686 N LEU A 103 10.325 -11.239 -6.464 1.00 13.22 N ATOM 1687 CA LEU A 103 11.296 -10.655 -5.526 1.00 41.41 C ATOM 1688 C LEU A 103 12.713 -10.863 -6.061 1.00 51.35 C ATOM 1689 O LEU A 103 13.242 -11.979 -6.038 1.00 24.32 O ATOM 1690 CB LEU A 103 11.135 -11.231 -4.096 1.00 2.04 C ATOM 1691 CG LEU A 103 11.930 -10.542 -2.959 1.00 61.42 C ATOM 1692 CD1 LEU A 103 13.420 -10.867 -3.013 1.00 35.45 C ATOM 1693 CD2 LEU A 103 11.712 -9.035 -2.982 1.00 71.52 C ATOM 0 H LEU A 103 9.903 -10.555 -7.091 1.00 13.22 H new ATOM 0 HA LEU A 103 11.103 -9.585 -5.449 1.00 41.41 H new ATOM 0 HB2 LEU A 103 10.077 -11.198 -3.836 1.00 2.04 H new ATOM 0 HB3 LEU A 103 11.424 -12.282 -4.121 1.00 2.04 H new ATOM 0 HG LEU A 103 11.547 -10.939 -2.019 1.00 61.42 H new ATOM 0 HD11 LEU A 103 13.933 -10.360 -2.195 1.00 35.45 H new ATOM 0 HD12 LEU A 103 13.561 -11.944 -2.918 1.00 35.45 H new ATOM 0 HD13 LEU A 103 13.832 -10.530 -3.964 1.00 35.45 H new ATOM 0 HD21 LEU A 103 12.280 -8.573 -2.175 1.00 71.52 H new ATOM 0 HD22 LEU A 103 12.048 -8.633 -3.938 1.00 71.52 H new ATOM 0 HD23 LEU A 103 10.652 -8.819 -2.850 1.00 71.52 H new