USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 587 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 74 LYS NZ :NH3+ -177:sc= 0.13 (180deg=0) USER MOD Set 1.2: A 76 TYR OH : rot 130:sc= 0.13 USER MOD Single : A 30 GLN : amide:sc= -0.135 K(o=-0.14,f=-0.75) USER MOD Single : A 35 THR OG1 : rot 180:sc= -2.02! USER MOD Single : A 36 ASN : amide:sc= 0.325 X(o=0.32,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.4 K(o=-2.4,f=-0.36) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 72 SER OG : rot 180:sc= -0.177 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.522 USER MOD Single : A 82 GLN : amide:sc= -0.346 K(o=-0.35,f=-2.5!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.577 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.0061 X(o=-0.0061,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -2.67 K(o=-2.7,f=-5.7!) USER MOD Single : A 100 ASN : amide:sc= -0.526 X(o=-0.53,f=-0.56) USER MOD Single : A 105 THR OG1 : rot -31:sc= 0.642 USER MOD ----------------------------------------------------------------- ATOM 114 N GLN A 30 -9.608 4.018 -17.361 1.00 24.51 N ATOM 115 CA GLN A 30 -9.895 5.324 -17.941 1.00 73.00 C ATOM 116 C GLN A 30 -11.176 5.909 -17.356 1.00 55.11 C ATOM 117 O GLN A 30 -11.784 6.807 -17.940 1.00 33.43 O ATOM 118 CB GLN A 30 -10.018 5.214 -19.462 1.00 14.33 C ATOM 119 CG GLN A 30 -8.924 4.375 -20.102 1.00 13.22 C ATOM 120 CD GLN A 30 -8.842 4.571 -21.603 1.00 24.22 C ATOM 121 OE1 GLN A 30 -9.753 5.123 -22.220 1.00 10.13 O ATOM 122 NE2 GLN A 30 -7.745 4.118 -22.200 1.00 32.24 N ATOM 0 HA GLN A 30 -9.068 5.992 -17.698 1.00 73.00 H new ATOM 0 HB2 GLN A 30 -10.988 4.782 -19.709 1.00 14.33 H new ATOM 0 HB3 GLN A 30 -9.996 6.215 -19.893 1.00 14.33 H new ATOM 0 HG2 GLN A 30 -7.965 4.632 -19.653 1.00 13.22 H new ATOM 0 HG3 GLN A 30 -9.105 3.322 -19.886 1.00 13.22 H new ATOM 0 HE21 GLN A 30 -7.014 3.667 -21.650 1.00 32.24 H new ATOM 0 HE22 GLN A 30 -7.633 4.222 -23.209 1.00 32.24 H new ATOM 131 N VAL A 31 -11.582 5.394 -16.200 1.00 12.54 N ATOM 132 CA VAL A 31 -12.791 5.866 -15.535 1.00 11.41 C ATOM 133 C VAL A 31 -12.588 5.961 -14.027 1.00 30.51 C ATOM 134 O VAL A 31 -11.654 5.376 -13.478 1.00 1.34 O ATOM 135 CB VAL A 31 -13.988 4.941 -15.824 1.00 11.20 C ATOM 136 CG1 VAL A 31 -14.168 4.753 -17.323 1.00 13.34 C ATOM 137 CG2 VAL A 31 -13.805 3.601 -15.128 1.00 61.35 C ATOM 0 H VAL A 31 -11.091 4.650 -15.704 1.00 12.54 H new ATOM 0 HA VAL A 31 -13.004 6.858 -15.933 1.00 11.41 H new ATOM 0 HB VAL A 31 -14.890 5.409 -15.430 1.00 11.20 H new ATOM 0 HG11 VAL A 31 -15.018 4.097 -17.508 1.00 13.34 H new ATOM 0 HG12 VAL A 31 -14.348 5.720 -17.792 1.00 13.34 H new ATOM 0 HG13 VAL A 31 -13.267 4.307 -17.745 1.00 13.34 H new ATOM 0 HG21 VAL A 31 -14.660 2.960 -15.343 1.00 61.35 H new ATOM 0 HG22 VAL A 31 -12.894 3.125 -15.490 1.00 61.35 H new ATOM 0 HG23 VAL A 31 -13.730 3.757 -14.052 1.00 61.35 H new ATOM 147 N VAL A 32 -13.470 6.700 -13.362 1.00 21.14 N ATOM 148 CA VAL A 32 -13.389 6.870 -11.916 1.00 30.22 C ATOM 149 C VAL A 32 -14.750 6.663 -11.261 1.00 53.32 C ATOM 150 O VAL A 32 -15.774 7.115 -11.776 1.00 71.33 O ATOM 151 CB VAL A 32 -12.859 8.267 -11.544 1.00 13.44 C ATOM 152 CG1 VAL A 32 -11.591 8.583 -12.322 1.00 74.15 C ATOM 153 CG2 VAL A 32 -13.925 9.324 -11.793 1.00 2.24 C ATOM 0 H VAL A 32 -14.249 7.191 -13.801 1.00 21.14 H new ATOM 0 HA VAL A 32 -12.694 6.116 -11.547 1.00 30.22 H new ATOM 0 HB VAL A 32 -12.615 8.273 -10.482 1.00 13.44 H new ATOM 0 HG11 VAL A 32 -11.232 9.574 -12.045 1.00 74.15 H new ATOM 0 HG12 VAL A 32 -10.827 7.842 -12.088 1.00 74.15 H new ATOM 0 HG13 VAL A 32 -11.804 8.560 -13.391 1.00 74.15 H new ATOM 0 HG21 VAL A 32 -13.534 10.305 -11.525 1.00 2.24 H new ATOM 0 HG22 VAL A 32 -14.203 9.320 -12.847 1.00 2.24 H new ATOM 0 HG23 VAL A 32 -14.803 9.105 -11.186 1.00 2.24 H new ATOM 163 N LEU A 33 -14.755 5.979 -10.123 1.00 13.14 N ATOM 164 CA LEU A 33 -15.992 5.713 -9.395 1.00 64.45 C ATOM 165 C LEU A 33 -16.059 6.538 -8.115 1.00 2.23 C ATOM 166 O LEU A 33 -15.206 6.408 -7.236 1.00 14.35 O ATOM 167 CB LEU A 33 -16.100 4.224 -9.062 1.00 64.42 C ATOM 168 CG LEU A 33 -16.901 3.873 -7.808 1.00 74.24 C ATOM 169 CD1 LEU A 33 -18.313 4.430 -7.904 1.00 50.52 C ATOM 170 CD2 LEU A 33 -16.934 2.366 -7.601 1.00 33.34 C ATOM 0 H LEU A 33 -13.917 5.598 -9.684 1.00 13.14 H new ATOM 0 HA LEU A 33 -16.829 5.998 -10.033 1.00 64.45 H new ATOM 0 HB2 LEU A 33 -16.553 3.714 -9.912 1.00 64.42 H new ATOM 0 HB3 LEU A 33 -15.093 3.823 -8.949 1.00 64.42 H new ATOM 0 HG LEU A 33 -16.410 4.327 -6.947 1.00 74.24 H new ATOM 0 HD11 LEU A 33 -18.869 4.170 -7.003 1.00 50.52 H new ATOM 0 HD12 LEU A 33 -18.270 5.515 -8.004 1.00 50.52 H new ATOM 0 HD13 LEU A 33 -18.814 4.005 -8.774 1.00 50.52 H new ATOM 0 HD21 LEU A 33 -17.508 2.134 -6.704 1.00 33.34 H new ATOM 0 HD22 LEU A 33 -17.401 1.890 -8.464 1.00 33.34 H new ATOM 0 HD23 LEU A 33 -15.917 1.992 -7.487 1.00 33.34 H new ATOM 182 N ILE A 34 -17.078 7.385 -8.016 1.00 2.14 N ATOM 183 CA ILE A 34 -17.258 8.229 -6.841 1.00 23.12 C ATOM 184 C ILE A 34 -18.430 7.747 -5.992 1.00 43.43 C ATOM 185 O ILE A 34 -19.401 7.195 -6.510 1.00 62.04 O ATOM 186 CB ILE A 34 -17.493 9.699 -7.234 1.00 54.15 C ATOM 187 CG1 ILE A 34 -18.753 9.824 -8.095 1.00 23.14 C ATOM 188 CG2 ILE A 34 -16.283 10.250 -7.974 1.00 75.12 C ATOM 189 CD1 ILE A 34 -18.466 9.903 -9.578 1.00 31.23 C ATOM 0 H ILE A 34 -17.791 7.505 -8.735 1.00 2.14 H new ATOM 0 HA ILE A 34 -16.339 8.160 -6.259 1.00 23.12 H new ATOM 0 HB ILE A 34 -17.636 10.284 -6.326 1.00 54.15 H new ATOM 0 HG12 ILE A 34 -19.400 8.968 -7.904 1.00 23.14 H new ATOM 0 HG13 ILE A 34 -19.304 10.714 -7.792 1.00 23.14 H new ATOM 0 HG21 ILE A 34 -16.465 11.290 -8.245 1.00 75.12 H new ATOM 0 HG22 ILE A 34 -15.405 10.191 -7.331 1.00 75.12 H new ATOM 0 HG23 ILE A 34 -16.111 9.664 -8.877 1.00 75.12 H new ATOM 0 HD11 ILE A 34 -19.404 9.990 -10.126 1.00 31.23 H new ATOM 0 HD12 ILE A 34 -17.844 10.775 -9.782 1.00 31.23 H new ATOM 0 HD13 ILE A 34 -17.943 9.001 -9.896 1.00 31.23 H new ATOM 201 N THR A 35 -18.334 7.962 -4.684 1.00 25.12 N ATOM 202 CA THR A 35 -19.385 7.551 -3.763 1.00 34.24 C ATOM 203 C THR A 35 -19.489 8.510 -2.583 1.00 1.43 C ATOM 204 O THR A 35 -18.813 9.538 -2.545 1.00 20.40 O ATOM 205 CB THR A 35 -19.141 6.126 -3.231 1.00 32.11 C ATOM 206 OG1 THR A 35 -17.992 6.112 -2.377 1.00 62.10 O ATOM 207 CG2 THR A 35 -18.939 5.148 -4.378 1.00 61.51 C ATOM 0 H THR A 35 -17.538 8.419 -4.239 1.00 25.12 H new ATOM 0 HA THR A 35 -20.319 7.567 -4.324 1.00 34.24 H new ATOM 0 HB THR A 35 -20.019 5.819 -2.663 1.00 32.11 H new ATOM 0 HG1 THR A 35 -17.845 5.203 -2.042 1.00 62.10 H new ATOM 0 HG21 THR A 35 -18.768 4.148 -3.978 1.00 61.51 H new ATOM 0 HG22 THR A 35 -19.827 5.139 -5.010 1.00 61.51 H new ATOM 0 HG23 THR A 35 -18.076 5.454 -4.970 1.00 61.51 H new ATOM 215 N ASN A 36 -20.339 8.168 -1.620 1.00 52.02 N ATOM 216 CA ASN A 36 -20.531 9.000 -0.438 1.00 3.21 C ATOM 217 C ASN A 36 -21.144 10.346 -0.813 1.00 64.14 C ATOM 218 O ASN A 36 -20.969 11.338 -0.105 1.00 61.02 O ATOM 219 CB ASN A 36 -19.197 9.217 0.280 1.00 12.01 C ATOM 220 CG ASN A 36 -19.346 9.216 1.789 1.00 14.53 C ATOM 221 OD1 ASN A 36 -18.567 8.583 2.501 1.00 5.41 O ATOM 222 ND2 ASN A 36 -20.352 9.928 2.284 1.00 13.14 N ATOM 0 H ASN A 36 -20.906 7.320 -1.635 1.00 52.02 H new ATOM 0 HA ASN A 36 -21.218 8.483 0.232 1.00 3.21 H new ATOM 0 HB2 ASN A 36 -18.498 8.434 -0.014 1.00 12.01 H new ATOM 0 HB3 ASN A 36 -18.766 10.166 -0.039 1.00 12.01 H new ATOM 0 HD21 ASN A 36 -20.503 9.965 3.292 1.00 13.14 H new ATOM 0 HD22 ASN A 36 -20.974 10.438 1.656 1.00 13.14 H new ATOM 229 N ILE A 37 -21.862 10.371 -1.931 1.00 11.42 N ATOM 230 CA ILE A 37 -22.502 11.594 -2.399 1.00 52.41 C ATOM 231 C ILE A 37 -23.945 11.680 -1.914 1.00 74.11 C ATOM 232 O ILE A 37 -24.627 10.664 -1.779 1.00 43.54 O ATOM 233 CB ILE A 37 -22.483 11.687 -3.936 1.00 63.03 C ATOM 234 CG1 ILE A 37 -23.069 10.416 -4.553 1.00 73.50 C ATOM 235 CG2 ILE A 37 -21.064 11.918 -4.435 1.00 11.31 C ATOM 236 CD1 ILE A 37 -23.288 10.514 -6.047 1.00 22.34 C ATOM 0 H ILE A 37 -22.015 9.559 -2.529 1.00 11.42 H new ATOM 0 HA ILE A 37 -21.932 12.426 -1.986 1.00 52.41 H new ATOM 0 HB ILE A 37 -23.098 12.534 -4.241 1.00 63.03 H new ATOM 0 HG12 ILE A 37 -22.401 9.580 -4.346 1.00 73.50 H new ATOM 0 HG13 ILE A 37 -24.019 10.192 -4.069 1.00 73.50 H new ATOM 0 HG21 ILE A 37 -21.067 11.982 -5.523 1.00 11.31 H new ATOM 0 HG22 ILE A 37 -20.679 12.849 -4.018 1.00 11.31 H new ATOM 0 HG23 ILE A 37 -20.429 11.090 -4.122 1.00 11.31 H new ATOM 0 HD11 ILE A 37 -23.705 9.577 -6.416 1.00 22.34 H new ATOM 0 HD12 ILE A 37 -23.980 11.328 -6.261 1.00 22.34 H new ATOM 0 HD13 ILE A 37 -22.336 10.707 -6.542 1.00 22.34 H new ATOM 248 N ASN A 38 -24.406 12.900 -1.655 1.00 25.41 N ATOM 249 CA ASN A 38 -25.769 13.118 -1.186 1.00 50.41 C ATOM 250 C ASN A 38 -26.744 13.179 -2.358 1.00 32.31 C ATOM 251 O ASN A 38 -26.623 14.012 -3.256 1.00 71.12 O ATOM 252 CB ASN A 38 -25.850 14.413 -0.374 1.00 23.41 C ATOM 253 CG ASN A 38 -26.360 14.180 1.035 1.00 1.02 C ATOM 254 OD1 ASN A 38 -27.528 14.431 1.334 1.00 44.12 O ATOM 255 ND2 ASN A 38 -25.484 13.698 1.909 1.00 12.03 N ATOM 0 H ASN A 38 -23.855 13.752 -1.762 1.00 25.41 H new ATOM 0 HA ASN A 38 -26.046 12.278 -0.548 1.00 50.41 H new ATOM 0 HB2 ASN A 38 -24.863 14.873 -0.329 1.00 23.41 H new ATOM 0 HB3 ASN A 38 -26.507 15.118 -0.884 1.00 23.41 H new ATOM 0 HD21 ASN A 38 -25.769 13.521 2.872 1.00 12.03 H new ATOM 0 HD22 ASN A 38 -24.526 13.505 1.617 1.00 12.03 H new ATOM 262 N PRO A 39 -27.735 12.275 -2.350 1.00 14.11 N ATOM 263 CA PRO A 39 -28.752 12.205 -3.404 1.00 44.51 C ATOM 264 C PRO A 39 -29.704 13.396 -3.371 1.00 32.35 C ATOM 265 O PRO A 39 -30.540 13.558 -4.259 1.00 43.11 O ATOM 266 CB PRO A 39 -29.503 10.910 -3.087 1.00 40.05 C ATOM 267 CG PRO A 39 -29.306 10.706 -1.625 1.00 61.40 C ATOM 268 CD PRO A 39 -27.941 11.252 -1.311 1.00 3.22 C ATOM 0 HA PRO A 39 -28.309 12.224 -4.400 1.00 44.51 H new ATOM 0 HB2 PRO A 39 -30.561 10.995 -3.336 1.00 40.05 H new ATOM 0 HB3 PRO A 39 -29.107 10.072 -3.661 1.00 40.05 H new ATOM 0 HG2 PRO A 39 -30.075 11.224 -1.052 1.00 61.40 H new ATOM 0 HG3 PRO A 39 -29.373 9.649 -1.366 1.00 61.40 H new ATOM 0 HD2 PRO A 39 -27.901 11.682 -0.310 1.00 3.22 H new ATOM 0 HD3 PRO A 39 -27.178 10.475 -1.355 1.00 3.22 H new ATOM 276 N GLU A 40 -29.572 14.225 -2.340 1.00 21.10 N ATOM 277 CA GLU A 40 -30.422 15.400 -2.192 1.00 13.21 C ATOM 278 C GLU A 40 -30.426 16.234 -3.470 1.00 63.21 C ATOM 279 O GLU A 40 -31.401 16.920 -3.774 1.00 51.53 O ATOM 280 CB GLU A 40 -29.949 16.255 -1.014 1.00 71.51 C ATOM 281 CG GLU A 40 -30.794 16.087 0.238 1.00 61.43 C ATOM 282 CD GLU A 40 -30.744 17.302 1.143 1.00 40.44 C ATOM 283 OE1 GLU A 40 -29.627 17.743 1.485 1.00 62.34 O ATOM 284 OE2 GLU A 40 -31.823 17.814 1.508 1.00 33.54 O ATOM 0 H GLU A 40 -28.885 14.104 -1.596 1.00 21.10 H new ATOM 0 HA GLU A 40 -31.439 15.058 -1.998 1.00 13.21 H new ATOM 0 HB2 GLU A 40 -28.915 15.998 -0.782 1.00 71.51 H new ATOM 0 HB3 GLU A 40 -29.958 17.304 -1.310 1.00 71.51 H new ATOM 0 HG2 GLU A 40 -31.828 15.895 -0.049 1.00 61.43 H new ATOM 0 HG3 GLU A 40 -30.449 15.213 0.790 1.00 61.43 H new ATOM 291 N VAL A 41 -29.327 16.169 -4.215 1.00 24.21 N ATOM 292 CA VAL A 41 -29.202 16.916 -5.460 1.00 43.44 C ATOM 293 C VAL A 41 -29.599 16.060 -6.658 1.00 10.14 C ATOM 294 O VAL A 41 -29.193 14.905 -6.788 1.00 43.35 O ATOM 295 CB VAL A 41 -27.764 17.430 -5.665 1.00 52.01 C ATOM 296 CG1 VAL A 41 -26.776 16.273 -5.649 1.00 54.45 C ATOM 297 CG2 VAL A 41 -27.659 18.214 -6.964 1.00 40.33 C ATOM 0 H VAL A 41 -28.510 15.606 -3.977 1.00 24.21 H new ATOM 0 HA VAL A 41 -29.878 17.768 -5.386 1.00 43.44 H new ATOM 0 HB VAL A 41 -27.515 18.100 -4.842 1.00 52.01 H new ATOM 0 HG11 VAL A 41 -25.766 16.655 -5.795 1.00 54.45 H new ATOM 0 HG12 VAL A 41 -26.834 15.758 -4.690 1.00 54.45 H new ATOM 0 HG13 VAL A 41 -27.020 15.575 -6.450 1.00 54.45 H new ATOM 0 HG21 VAL A 41 -26.637 18.570 -7.093 1.00 40.33 H new ATOM 0 HG22 VAL A 41 -27.927 17.569 -7.801 1.00 40.33 H new ATOM 0 HG23 VAL A 41 -28.338 19.066 -6.931 1.00 40.33 H new ATOM 307 N PRO A 42 -30.413 16.638 -7.554 1.00 65.51 N ATOM 308 CA PRO A 42 -30.882 15.945 -8.758 1.00 12.40 C ATOM 309 C PRO A 42 -29.765 15.721 -9.771 1.00 24.33 C ATOM 310 O PRO A 42 -28.907 16.582 -9.966 1.00 51.32 O ATOM 311 CB PRO A 42 -31.936 16.899 -9.327 1.00 62.01 C ATOM 312 CG PRO A 42 -31.545 18.243 -8.817 1.00 51.10 C ATOM 313 CD PRO A 42 -30.936 18.011 -7.462 1.00 20.20 C ATOM 0 HA PRO A 42 -31.264 14.949 -8.532 1.00 12.40 H new ATOM 0 HB2 PRO A 42 -31.944 16.876 -10.417 1.00 62.01 H new ATOM 0 HB3 PRO A 42 -32.938 16.626 -8.995 1.00 62.01 H new ATOM 0 HG2 PRO A 42 -30.833 18.723 -9.488 1.00 51.10 H new ATOM 0 HG3 PRO A 42 -32.411 18.901 -8.748 1.00 51.10 H new ATOM 0 HD2 PRO A 42 -30.144 18.729 -7.249 1.00 20.20 H new ATOM 0 HD3 PRO A 42 -31.676 18.107 -6.667 1.00 20.20 H new ATOM 321 N LYS A 43 -29.780 14.558 -10.413 1.00 62.14 N ATOM 322 CA LYS A 43 -28.769 14.220 -11.408 1.00 62.41 C ATOM 323 C LYS A 43 -28.567 15.368 -12.391 1.00 41.31 C ATOM 324 O LYS A 43 -27.458 15.595 -12.874 1.00 52.41 O ATOM 325 CB LYS A 43 -29.172 12.952 -12.165 1.00 32.15 C ATOM 326 CG LYS A 43 -28.364 12.715 -13.428 1.00 61.44 C ATOM 327 CD LYS A 43 -28.720 11.388 -14.077 1.00 74.25 C ATOM 328 CE LYS A 43 -28.485 11.421 -15.580 1.00 0.22 C ATOM 329 NZ LYS A 43 -29.454 10.560 -16.312 1.00 62.43 N ATOM 0 H LYS A 43 -30.482 13.833 -10.262 1.00 62.14 H new ATOM 0 HA LYS A 43 -27.829 14.042 -10.887 1.00 62.41 H new ATOM 0 HB2 LYS A 43 -29.058 12.093 -11.504 1.00 32.15 H new ATOM 0 HB3 LYS A 43 -30.228 13.015 -12.426 1.00 32.15 H new ATOM 0 HG2 LYS A 43 -28.544 13.526 -14.134 1.00 61.44 H new ATOM 0 HG3 LYS A 43 -27.301 12.730 -13.189 1.00 61.44 H new ATOM 0 HD2 LYS A 43 -28.123 10.592 -13.632 1.00 74.25 H new ATOM 0 HD3 LYS A 43 -29.765 11.152 -13.876 1.00 74.25 H new ATOM 0 HE2 LYS A 43 -28.568 12.447 -15.938 1.00 0.22 H new ATOM 0 HE3 LYS A 43 -27.469 11.090 -15.796 1.00 0.22 H new ATOM 0 HZ1 LYS A 43 -29.261 10.610 -17.333 1.00 62.43 H new ATOM 0 HZ2 LYS A 43 -29.357 9.576 -15.989 1.00 62.43 H new ATOM 0 HZ3 LYS A 43 -30.422 10.892 -16.127 1.00 62.43 H new ATOM 343 N GLU A 44 -29.645 16.090 -12.681 1.00 32.30 N ATOM 344 CA GLU A 44 -29.584 17.215 -13.606 1.00 54.30 C ATOM 345 C GLU A 44 -28.445 18.162 -13.237 1.00 73.54 C ATOM 346 O GLU A 44 -27.574 18.452 -14.057 1.00 51.34 O ATOM 347 CB GLU A 44 -30.913 17.975 -13.608 1.00 23.10 C ATOM 348 CG GLU A 44 -31.842 17.574 -14.741 1.00 64.35 C ATOM 349 CD GLU A 44 -33.032 18.503 -14.877 1.00 10.12 C ATOM 350 OE1 GLU A 44 -32.917 19.678 -14.471 1.00 12.31 O ATOM 351 OE2 GLU A 44 -34.079 18.054 -15.389 1.00 41.43 O ATOM 0 H GLU A 44 -30.570 15.916 -12.289 1.00 32.30 H new ATOM 0 HA GLU A 44 -29.397 16.821 -14.605 1.00 54.30 H new ATOM 0 HB2 GLU A 44 -31.419 17.807 -12.658 1.00 23.10 H new ATOM 0 HB3 GLU A 44 -30.710 19.044 -13.677 1.00 23.10 H new ATOM 0 HG2 GLU A 44 -31.284 17.565 -15.677 1.00 64.35 H new ATOM 0 HG3 GLU A 44 -32.197 16.557 -14.572 1.00 64.35 H new ATOM 358 N LYS A 45 -28.459 18.640 -11.998 1.00 31.21 N ATOM 359 CA LYS A 45 -27.428 19.553 -11.518 1.00 35.30 C ATOM 360 C LYS A 45 -26.204 18.784 -11.033 1.00 24.12 C ATOM 361 O LYS A 45 -25.067 19.167 -11.311 1.00 43.52 O ATOM 362 CB LYS A 45 -27.977 20.425 -10.387 1.00 33.03 C ATOM 363 CG LYS A 45 -28.912 21.523 -10.864 1.00 44.30 C ATOM 364 CD LYS A 45 -30.266 21.439 -10.181 1.00 75.43 C ATOM 365 CE LYS A 45 -30.144 21.620 -8.676 1.00 73.40 C ATOM 366 NZ LYS A 45 -31.061 22.677 -8.168 1.00 52.53 N ATOM 0 H LYS A 45 -29.173 18.410 -11.307 1.00 31.21 H new ATOM 0 HA LYS A 45 -27.128 20.192 -12.348 1.00 35.30 H new ATOM 0 HB2 LYS A 45 -28.507 19.792 -9.676 1.00 33.03 H new ATOM 0 HB3 LYS A 45 -27.143 20.877 -9.851 1.00 33.03 H new ATOM 0 HG2 LYS A 45 -28.463 22.496 -10.665 1.00 44.30 H new ATOM 0 HG3 LYS A 45 -29.043 21.447 -11.943 1.00 44.30 H new ATOM 0 HD2 LYS A 45 -30.928 22.204 -10.588 1.00 75.43 H new ATOM 0 HD3 LYS A 45 -30.724 20.474 -10.396 1.00 75.43 H new ATOM 0 HE2 LYS A 45 -30.366 20.676 -8.178 1.00 73.40 H new ATOM 0 HE3 LYS A 45 -29.116 21.879 -8.424 1.00 73.40 H new ATOM 0 HZ1 LYS A 45 -30.947 22.770 -7.138 1.00 52.53 H new ATOM 0 HZ2 LYS A 45 -30.833 23.583 -8.624 1.00 52.53 H new ATOM 0 HZ3 LYS A 45 -32.044 22.418 -8.386 1.00 52.53 H new ATOM 380 N LEU A 46 -26.442 17.697 -10.308 1.00 33.24 N ATOM 381 CA LEU A 46 -25.358 16.872 -9.785 1.00 11.51 C ATOM 382 C LEU A 46 -24.393 16.473 -10.897 1.00 32.04 C ATOM 383 O LEU A 46 -23.179 16.619 -10.759 1.00 50.10 O ATOM 384 CB LEU A 46 -25.922 15.621 -9.110 1.00 13.34 C ATOM 385 CG LEU A 46 -25.191 14.311 -9.405 1.00 41.41 C ATOM 386 CD1 LEU A 46 -23.775 14.354 -8.853 1.00 3.34 C ATOM 387 CD2 LEU A 46 -25.956 13.131 -8.825 1.00 71.33 C ATOM 0 H LEU A 46 -27.377 17.366 -10.069 1.00 33.24 H new ATOM 0 HA LEU A 46 -24.811 17.459 -9.047 1.00 11.51 H new ATOM 0 HB2 LEU A 46 -25.918 15.781 -8.032 1.00 13.34 H new ATOM 0 HB3 LEU A 46 -26.963 15.508 -9.411 1.00 13.34 H new ATOM 0 HG LEU A 46 -25.134 14.185 -10.486 1.00 41.41 H new ATOM 0 HD11 LEU A 46 -23.270 13.413 -9.072 1.00 3.34 H new ATOM 0 HD12 LEU A 46 -23.229 15.176 -9.316 1.00 3.34 H new ATOM 0 HD13 LEU A 46 -23.810 14.504 -7.774 1.00 3.34 H new ATOM 0 HD21 LEU A 46 -25.421 12.207 -9.045 1.00 71.33 H new ATOM 0 HD22 LEU A 46 -26.045 13.251 -7.745 1.00 71.33 H new ATOM 0 HD23 LEU A 46 -26.951 13.089 -9.269 1.00 71.33 H new ATOM 399 N GLN A 47 -24.942 15.970 -11.998 1.00 15.44 N ATOM 400 CA GLN A 47 -24.130 15.552 -13.133 1.00 62.45 C ATOM 401 C GLN A 47 -23.394 16.740 -13.744 1.00 21.21 C ATOM 402 O GLN A 47 -22.189 16.678 -13.986 1.00 1.31 O ATOM 403 CB GLN A 47 -25.004 14.879 -14.193 1.00 54.20 C ATOM 404 CG GLN A 47 -24.219 14.340 -15.378 1.00 21.25 C ATOM 405 CD GLN A 47 -24.978 14.459 -16.684 1.00 50.23 C ATOM 406 OE1 GLN A 47 -26.205 14.364 -16.713 1.00 54.45 O ATOM 407 NE2 GLN A 47 -24.250 14.669 -17.775 1.00 72.40 N ATOM 0 H GLN A 47 -25.946 15.842 -12.127 1.00 15.44 H new ATOM 0 HA GLN A 47 -23.391 14.836 -12.773 1.00 62.45 H new ATOM 0 HB2 GLN A 47 -25.555 14.060 -13.731 1.00 54.20 H new ATOM 0 HB3 GLN A 47 -25.741 15.597 -14.553 1.00 54.20 H new ATOM 0 HG2 GLN A 47 -23.276 14.880 -15.460 1.00 21.25 H new ATOM 0 HG3 GLN A 47 -23.972 13.293 -15.200 1.00 21.25 H new ATOM 0 HE21 GLN A 47 -23.235 14.741 -17.705 1.00 72.40 H new ATOM 0 HE22 GLN A 47 -24.706 14.758 -18.683 1.00 72.40 H new ATOM 416 N ALA A 48 -24.127 17.820 -13.991 1.00 12.33 N ATOM 417 CA ALA A 48 -23.544 19.023 -14.571 1.00 42.34 C ATOM 418 C ALA A 48 -22.366 19.519 -13.739 1.00 61.12 C ATOM 419 O ALA A 48 -21.392 20.049 -14.276 1.00 73.34 O ATOM 420 CB ALA A 48 -24.598 20.113 -14.699 1.00 32.24 C ATOM 0 H ALA A 48 -25.126 17.887 -13.798 1.00 12.33 H new ATOM 0 HA ALA A 48 -23.173 18.773 -15.565 1.00 42.34 H new ATOM 0 HB1 ALA A 48 -24.148 21.005 -15.134 1.00 32.24 H new ATOM 0 HB2 ALA A 48 -25.406 19.764 -15.342 1.00 32.24 H new ATOM 0 HB3 ALA A 48 -24.997 20.351 -13.713 1.00 32.24 H new ATOM 426 N LEU A 49 -22.461 19.344 -12.426 1.00 2.43 N ATOM 427 CA LEU A 49 -21.403 19.775 -11.518 1.00 64.24 C ATOM 428 C LEU A 49 -20.181 18.869 -11.638 1.00 41.42 C ATOM 429 O LEU A 49 -19.052 19.346 -11.766 1.00 30.55 O ATOM 430 CB LEU A 49 -21.911 19.777 -10.076 1.00 24.15 C ATOM 431 CG LEU A 49 -21.961 21.140 -9.384 1.00 22.54 C ATOM 432 CD1 LEU A 49 -20.611 21.835 -9.475 1.00 74.13 C ATOM 433 CD2 LEU A 49 -23.052 22.007 -9.993 1.00 15.11 C ATOM 0 H LEU A 49 -23.259 18.907 -11.966 1.00 2.43 H new ATOM 0 HA LEU A 49 -21.110 20.788 -11.794 1.00 64.24 H new ATOM 0 HB2 LEU A 49 -22.913 19.349 -10.064 1.00 24.15 H new ATOM 0 HB3 LEU A 49 -21.275 19.116 -9.487 1.00 24.15 H new ATOM 0 HG LEU A 49 -22.195 20.983 -8.331 1.00 22.54 H new ATOM 0 HD11 LEU A 49 -20.666 22.803 -8.977 1.00 74.13 H new ATOM 0 HD12 LEU A 49 -19.852 21.221 -8.991 1.00 74.13 H new ATOM 0 HD13 LEU A 49 -20.346 21.980 -10.522 1.00 74.13 H new ATOM 0 HD21 LEU A 49 -23.073 22.973 -9.488 1.00 15.11 H new ATOM 0 HD22 LEU A 49 -22.849 22.156 -11.053 1.00 15.11 H new ATOM 0 HD23 LEU A 49 -24.017 21.514 -9.874 1.00 15.11 H new ATOM 445 N LEU A 50 -20.414 17.562 -11.599 1.00 2.23 N ATOM 446 CA LEU A 50 -19.332 16.589 -11.705 1.00 74.12 C ATOM 447 C LEU A 50 -18.510 16.825 -12.968 1.00 23.13 C ATOM 448 O LEU A 50 -17.314 16.533 -13.006 1.00 32.44 O ATOM 449 CB LEU A 50 -19.898 15.167 -11.710 1.00 3.55 C ATOM 450 CG LEU A 50 -20.476 14.671 -10.384 1.00 0.11 C ATOM 451 CD1 LEU A 50 -21.051 13.272 -10.543 1.00 0.22 C ATOM 452 CD2 LEU A 50 -19.411 14.692 -9.297 1.00 35.14 C ATOM 0 H LEU A 50 -21.342 17.151 -11.495 1.00 2.23 H new ATOM 0 HA LEU A 50 -18.680 16.711 -10.840 1.00 74.12 H new ATOM 0 HB2 LEU A 50 -20.679 15.111 -12.468 1.00 3.55 H new ATOM 0 HB3 LEU A 50 -19.107 14.483 -12.017 1.00 3.55 H new ATOM 0 HG LEU A 50 -21.283 15.342 -10.087 1.00 0.11 H new ATOM 0 HD11 LEU A 50 -21.458 12.935 -9.589 1.00 0.22 H new ATOM 0 HD12 LEU A 50 -21.844 13.287 -11.291 1.00 0.22 H new ATOM 0 HD13 LEU A 50 -20.264 12.589 -10.863 1.00 0.22 H new ATOM 0 HD21 LEU A 50 -19.840 14.336 -8.360 1.00 35.14 H new ATOM 0 HD22 LEU A 50 -18.583 14.045 -9.586 1.00 35.14 H new ATOM 0 HD23 LEU A 50 -19.046 15.711 -9.165 1.00 35.14 H new ATOM 464 N TYR A 51 -19.157 17.357 -13.998 1.00 41.33 N ATOM 465 CA TYR A 51 -18.485 17.633 -15.263 1.00 34.22 C ATOM 466 C TYR A 51 -17.558 18.838 -15.136 1.00 74.12 C ATOM 467 O TYR A 51 -16.420 18.811 -15.602 1.00 63.20 O ATOM 468 CB TYR A 51 -19.514 17.881 -16.367 1.00 72.43 C ATOM 469 CG TYR A 51 -18.933 17.819 -17.762 1.00 25.44 C ATOM 470 CD1 TYR A 51 -18.013 18.766 -18.195 1.00 30.31 C ATOM 471 CD2 TYR A 51 -19.302 16.812 -18.645 1.00 50.04 C ATOM 472 CE1 TYR A 51 -17.480 18.713 -19.468 1.00 42.32 C ATOM 473 CE2 TYR A 51 -18.773 16.751 -19.920 1.00 62.11 C ATOM 474 CZ TYR A 51 -17.863 17.704 -20.327 1.00 25.01 C ATOM 475 OH TYR A 51 -17.333 17.647 -21.596 1.00 5.45 O ATOM 0 H TYR A 51 -20.146 17.606 -13.983 1.00 41.33 H new ATOM 0 HA TYR A 51 -17.884 16.762 -15.524 1.00 34.22 H new ATOM 0 HB2 TYR A 51 -20.311 17.143 -16.281 1.00 72.43 H new ATOM 0 HB3 TYR A 51 -19.969 18.860 -16.215 1.00 72.43 H new ATOM 0 HD1 TYR A 51 -17.710 19.557 -17.525 1.00 30.31 H new ATOM 0 HD2 TYR A 51 -20.014 16.064 -18.330 1.00 50.04 H new ATOM 0 HE1 TYR A 51 -16.767 19.458 -19.789 1.00 42.32 H new ATOM 0 HE2 TYR A 51 -19.070 15.961 -20.594 1.00 62.11 H new ATOM 0 HH TYR A 51 -17.706 16.876 -22.072 1.00 5.45 H new ATOM 485 N ALA A 52 -18.056 19.894 -14.501 1.00 44.44 N ATOM 486 CA ALA A 52 -17.273 21.109 -14.310 1.00 64.21 C ATOM 487 C ALA A 52 -15.914 20.795 -13.694 1.00 23.52 C ATOM 488 O ALA A 52 -14.873 21.175 -14.232 1.00 53.22 O ATOM 489 CB ALA A 52 -18.034 22.096 -13.438 1.00 33.11 C ATOM 0 H ALA A 52 -18.997 19.933 -14.110 1.00 44.44 H new ATOM 0 HA ALA A 52 -17.104 21.560 -15.288 1.00 64.21 H new ATOM 0 HB1 ALA A 52 -17.437 22.998 -13.304 1.00 33.11 H new ATOM 0 HB2 ALA A 52 -18.978 22.353 -13.918 1.00 33.11 H new ATOM 0 HB3 ALA A 52 -18.233 21.645 -12.466 1.00 33.11 H new ATOM 495 N LEU A 53 -15.929 20.099 -12.562 1.00 73.22 N ATOM 496 CA LEU A 53 -14.697 19.734 -11.872 1.00 32.44 C ATOM 497 C LEU A 53 -13.850 18.798 -12.728 1.00 44.30 C ATOM 498 O LEU A 53 -12.624 18.909 -12.760 1.00 15.34 O ATOM 499 CB LEU A 53 -15.018 19.067 -10.533 1.00 12.03 C ATOM 500 CG LEU A 53 -15.985 19.824 -9.621 1.00 21.40 C ATOM 501 CD1 LEU A 53 -16.412 18.949 -8.453 1.00 33.41 C ATOM 502 CD2 LEU A 53 -15.348 21.112 -9.120 1.00 21.52 C ATOM 0 H LEU A 53 -16.781 19.776 -12.103 1.00 73.22 H new ATOM 0 HA LEU A 53 -14.128 20.646 -11.690 1.00 32.44 H new ATOM 0 HB2 LEU A 53 -15.435 18.080 -10.732 1.00 12.03 H new ATOM 0 HB3 LEU A 53 -14.084 18.915 -9.992 1.00 12.03 H new ATOM 0 HG LEU A 53 -16.873 20.082 -10.199 1.00 21.40 H new ATOM 0 HD11 LEU A 53 -17.100 19.504 -7.815 1.00 33.41 H new ATOM 0 HD12 LEU A 53 -16.909 18.055 -8.831 1.00 33.41 H new ATOM 0 HD13 LEU A 53 -15.534 18.660 -7.875 1.00 33.41 H new ATOM 0 HD21 LEU A 53 -16.050 21.637 -8.473 1.00 21.52 H new ATOM 0 HD22 LEU A 53 -14.444 20.876 -8.559 1.00 21.52 H new ATOM 0 HD23 LEU A 53 -15.093 21.746 -9.969 1.00 21.52 H new ATOM 514 N ALA A 54 -14.511 17.879 -13.423 1.00 30.52 N ATOM 515 CA ALA A 54 -13.819 16.927 -14.283 1.00 61.10 C ATOM 516 C ALA A 54 -13.032 17.645 -15.374 1.00 73.25 C ATOM 517 O ALA A 54 -11.831 17.426 -15.534 1.00 35.15 O ATOM 518 CB ALA A 54 -14.812 15.953 -14.899 1.00 53.13 C ATOM 0 H ALA A 54 -15.525 17.773 -13.407 1.00 30.52 H new ATOM 0 HA ALA A 54 -13.112 16.368 -13.670 1.00 61.10 H new ATOM 0 HB1 ALA A 54 -14.281 15.248 -15.539 1.00 53.13 H new ATOM 0 HB2 ALA A 54 -15.326 15.408 -14.107 1.00 53.13 H new ATOM 0 HB3 ALA A 54 -15.541 16.504 -15.493 1.00 53.13 H new ATOM 524 N SER A 55 -13.717 18.502 -16.125 1.00 12.14 N ATOM 525 CA SER A 55 -13.083 19.249 -17.205 1.00 31.04 C ATOM 526 C SER A 55 -11.917 20.081 -16.678 1.00 74.23 C ATOM 527 O SER A 55 -10.918 20.276 -17.369 1.00 64.44 O ATOM 528 CB SER A 55 -14.104 20.158 -17.892 1.00 64.13 C ATOM 529 OG SER A 55 -13.474 21.015 -18.829 1.00 3.04 O ATOM 0 H SER A 55 -14.711 18.696 -16.005 1.00 12.14 H new ATOM 0 HA SER A 55 -12.697 18.534 -17.931 1.00 31.04 H new ATOM 0 HB2 SER A 55 -14.855 19.550 -18.397 1.00 64.13 H new ATOM 0 HB3 SER A 55 -14.627 20.754 -17.144 1.00 64.13 H new ATOM 0 HG SER A 55 -14.148 21.585 -19.256 1.00 3.04 H new ATOM 535 N SER A 56 -12.054 20.569 -15.450 1.00 13.13 N ATOM 536 CA SER A 56 -11.015 21.384 -14.831 1.00 31.43 C ATOM 537 C SER A 56 -9.696 20.620 -14.761 1.00 50.10 C ATOM 538 O SER A 56 -8.625 21.219 -14.674 1.00 4.20 O ATOM 539 CB SER A 56 -11.443 21.813 -13.426 1.00 54.43 C ATOM 540 OG SER A 56 -10.352 21.765 -12.523 1.00 53.53 O ATOM 0 H SER A 56 -12.874 20.414 -14.864 1.00 13.13 H new ATOM 0 HA SER A 56 -10.869 22.272 -15.446 1.00 31.43 H new ATOM 0 HB2 SER A 56 -11.848 22.825 -13.459 1.00 54.43 H new ATOM 0 HB3 SER A 56 -12.242 21.162 -13.071 1.00 54.43 H new ATOM 0 HG SER A 56 -10.651 22.045 -11.633 1.00 53.53 H new ATOM 546 N GLN A 57 -9.784 19.295 -14.800 1.00 30.50 N ATOM 547 CA GLN A 57 -8.598 18.449 -14.741 1.00 21.45 C ATOM 548 C GLN A 57 -8.342 17.774 -16.084 1.00 52.33 C ATOM 549 O GLN A 57 -7.395 18.116 -16.791 1.00 70.43 O ATOM 550 CB GLN A 57 -8.755 17.390 -13.647 1.00 45.41 C ATOM 551 CG GLN A 57 -8.892 17.975 -12.250 1.00 70.54 C ATOM 552 CD GLN A 57 -7.558 18.375 -11.651 1.00 53.14 C ATOM 553 OE1 GLN A 57 -7.386 19.503 -11.188 1.00 53.15 O ATOM 554 NE2 GLN A 57 -6.605 17.451 -11.657 1.00 61.20 N ATOM 0 H GLN A 57 -10.664 18.784 -14.872 1.00 30.50 H new ATOM 0 HA GLN A 57 -7.743 19.083 -14.505 1.00 21.45 H new ATOM 0 HB2 GLN A 57 -9.633 16.782 -13.865 1.00 45.41 H new ATOM 0 HB3 GLN A 57 -7.892 16.725 -13.670 1.00 45.41 H new ATOM 0 HG2 GLN A 57 -9.545 18.847 -12.288 1.00 70.54 H new ATOM 0 HG3 GLN A 57 -9.373 17.244 -11.600 1.00 70.54 H new ATOM 0 HE21 GLN A 57 -6.791 16.529 -12.051 1.00 61.20 H new ATOM 0 HE22 GLN A 57 -5.686 17.663 -11.268 1.00 61.20 H new ATOM 563 N GLY A 58 -9.194 16.814 -16.431 1.00 31.23 N ATOM 564 CA GLY A 58 -9.043 16.106 -17.689 1.00 3.33 C ATOM 565 C GLY A 58 -10.320 16.096 -18.505 1.00 61.41 C ATOM 566 O GLY A 58 -11.385 16.464 -18.009 1.00 62.02 O ATOM 0 H GLY A 58 -9.986 16.514 -15.863 1.00 31.23 H new ATOM 0 HA2 GLY A 58 -8.247 16.571 -18.271 1.00 3.33 H new ATOM 0 HA3 GLY A 58 -8.734 15.080 -17.490 1.00 3.33 H new ATOM 570 N ASP A 59 -10.214 15.674 -19.760 1.00 70.04 N ATOM 571 CA ASP A 59 -11.370 15.617 -20.648 1.00 2.40 C ATOM 572 C ASP A 59 -12.323 14.503 -20.228 1.00 54.21 C ATOM 573 O ASP A 59 -11.893 13.447 -19.763 1.00 12.43 O ATOM 574 CB ASP A 59 -10.919 15.402 -22.094 1.00 13.23 C ATOM 575 CG ASP A 59 -10.909 16.689 -22.895 1.00 13.44 C ATOM 576 OD1 ASP A 59 -10.027 17.537 -22.644 1.00 61.42 O ATOM 577 OD2 ASP A 59 -11.784 16.850 -23.771 1.00 73.03 O ATOM 0 H ASP A 59 -9.340 15.366 -20.186 1.00 70.04 H new ATOM 0 HA ASP A 59 -11.898 16.568 -20.578 1.00 2.40 H new ATOM 0 HB2 ASP A 59 -9.920 14.967 -22.099 1.00 13.23 H new ATOM 0 HB3 ASP A 59 -11.582 14.683 -22.575 1.00 13.23 H new ATOM 582 N ILE A 60 -13.619 14.746 -20.395 1.00 10.34 N ATOM 583 CA ILE A 60 -14.633 13.764 -20.033 1.00 22.52 C ATOM 584 C ILE A 60 -15.249 13.127 -21.274 1.00 21.11 C ATOM 585 O ILE A 60 -15.593 13.818 -22.234 1.00 65.31 O ATOM 586 CB ILE A 60 -15.752 14.395 -19.184 1.00 51.54 C ATOM 587 CG1 ILE A 60 -15.160 15.091 -17.957 1.00 14.22 C ATOM 588 CG2 ILE A 60 -16.761 13.337 -18.765 1.00 22.40 C ATOM 589 CD1 ILE A 60 -14.934 16.574 -18.153 1.00 61.12 C ATOM 0 H ILE A 60 -13.991 15.615 -20.779 1.00 10.34 H new ATOM 0 HA ILE A 60 -14.132 12.996 -19.444 1.00 22.52 H new ATOM 0 HB ILE A 60 -16.269 15.141 -19.788 1.00 51.54 H new ATOM 0 HG12 ILE A 60 -15.827 14.943 -17.108 1.00 14.22 H new ATOM 0 HG13 ILE A 60 -14.211 14.618 -17.703 1.00 14.22 H new ATOM 0 HG21 ILE A 60 -17.545 13.799 -18.166 1.00 22.40 H new ATOM 0 HG22 ILE A 60 -17.202 12.883 -19.652 1.00 22.40 H new ATOM 0 HG23 ILE A 60 -16.260 12.569 -18.176 1.00 22.40 H new ATOM 0 HD11 ILE A 60 -14.513 17.001 -17.243 1.00 61.12 H new ATOM 0 HD12 ILE A 60 -14.243 16.730 -18.981 1.00 61.12 H new ATOM 0 HD13 ILE A 60 -15.884 17.060 -18.376 1.00 61.12 H new ATOM 601 N LEU A 61 -15.388 11.806 -21.247 1.00 63.04 N ATOM 602 CA LEU A 61 -15.965 11.075 -22.370 1.00 62.40 C ATOM 603 C LEU A 61 -17.422 10.716 -22.095 1.00 43.20 C ATOM 604 O LEU A 61 -18.214 10.543 -23.021 1.00 53.31 O ATOM 605 CB LEU A 61 -15.158 9.804 -22.645 1.00 54.33 C ATOM 606 CG LEU A 61 -13.642 9.924 -22.487 1.00 12.30 C ATOM 607 CD1 LEU A 61 -12.957 8.637 -22.918 1.00 30.11 C ATOM 608 CD2 LEU A 61 -13.114 11.106 -23.288 1.00 32.42 C ATOM 0 H LEU A 61 -15.109 11.220 -20.460 1.00 63.04 H new ATOM 0 HA LEU A 61 -15.928 11.719 -23.249 1.00 62.40 H new ATOM 0 HB2 LEU A 61 -15.512 9.021 -21.975 1.00 54.33 H new ATOM 0 HB3 LEU A 61 -15.372 9.474 -23.662 1.00 54.33 H new ATOM 0 HG LEU A 61 -13.418 10.095 -21.434 1.00 12.30 H new ATOM 0 HD11 LEU A 61 -11.879 8.741 -22.799 1.00 30.11 H new ATOM 0 HD12 LEU A 61 -13.312 7.812 -22.301 1.00 30.11 H new ATOM 0 HD13 LEU A 61 -13.188 8.434 -23.964 1.00 30.11 H new ATOM 0 HD21 LEU A 61 -12.033 11.176 -23.164 1.00 32.42 H new ATOM 0 HD22 LEU A 61 -13.350 10.965 -24.343 1.00 32.42 H new ATOM 0 HD23 LEU A 61 -13.580 12.024 -22.932 1.00 32.42 H new ATOM 620 N ASP A 62 -17.768 10.608 -20.817 1.00 42.21 N ATOM 621 CA ASP A 62 -19.130 10.274 -20.420 1.00 35.34 C ATOM 622 C ASP A 62 -19.253 10.210 -18.900 1.00 72.24 C ATOM 623 O ASP A 62 -18.522 9.472 -18.239 1.00 62.14 O ATOM 624 CB ASP A 62 -19.550 8.938 -21.034 1.00 74.42 C ATOM 625 CG ASP A 62 -20.770 8.346 -20.355 1.00 62.32 C ATOM 626 OD1 ASP A 62 -21.821 9.020 -20.329 1.00 3.20 O ATOM 627 OD2 ASP A 62 -20.673 7.208 -19.851 1.00 35.43 O ATOM 0 H ASP A 62 -17.124 10.747 -20.038 1.00 42.21 H new ATOM 0 HA ASP A 62 -19.792 11.058 -20.788 1.00 35.34 H new ATOM 0 HB2 ASP A 62 -19.761 9.079 -22.094 1.00 74.42 H new ATOM 0 HB3 ASP A 62 -18.721 8.233 -20.965 1.00 74.42 H new ATOM 632 N ILE A 63 -20.181 10.988 -18.354 1.00 31.03 N ATOM 633 CA ILE A 63 -20.399 11.019 -16.913 1.00 0.42 C ATOM 634 C ILE A 63 -21.664 10.259 -16.531 1.00 75.25 C ATOM 635 O ILE A 63 -22.776 10.684 -16.847 1.00 30.32 O ATOM 636 CB ILE A 63 -20.505 12.464 -16.391 1.00 11.52 C ATOM 637 CG1 ILE A 63 -19.260 13.264 -16.781 1.00 20.50 C ATOM 638 CG2 ILE A 63 -20.693 12.470 -14.881 1.00 71.21 C ATOM 639 CD1 ILE A 63 -19.266 14.684 -16.261 1.00 52.12 C ATOM 0 H ILE A 63 -20.794 11.605 -18.887 1.00 31.03 H new ATOM 0 HA ILE A 63 -19.536 10.537 -16.453 1.00 0.42 H new ATOM 0 HB ILE A 63 -21.375 12.936 -16.848 1.00 11.52 H new ATOM 0 HG12 ILE A 63 -18.376 12.751 -16.403 1.00 20.50 H new ATOM 0 HG13 ILE A 63 -19.177 13.284 -17.868 1.00 20.50 H new ATOM 0 HG21 ILE A 63 -20.766 13.499 -14.528 1.00 71.21 H new ATOM 0 HG22 ILE A 63 -21.606 11.933 -14.626 1.00 71.21 H new ATOM 0 HG23 ILE A 63 -19.841 11.983 -14.406 1.00 71.21 H new ATOM 0 HD11 ILE A 63 -18.354 15.191 -16.576 1.00 52.12 H new ATOM 0 HD12 ILE A 63 -20.131 15.214 -16.660 1.00 52.12 H new ATOM 0 HD13 ILE A 63 -19.317 14.673 -15.172 1.00 52.12 H new ATOM 651 N VAL A 64 -21.488 9.132 -15.849 1.00 30.11 N ATOM 652 CA VAL A 64 -22.616 8.313 -15.421 1.00 63.42 C ATOM 653 C VAL A 64 -22.986 8.601 -13.971 1.00 3.24 C ATOM 654 O VAL A 64 -22.123 8.908 -13.148 1.00 1.22 O ATOM 655 CB VAL A 64 -22.308 6.811 -15.572 1.00 2.11 C ATOM 656 CG1 VAL A 64 -23.521 5.976 -15.192 1.00 53.24 C ATOM 657 CG2 VAL A 64 -21.859 6.500 -16.992 1.00 20.43 C ATOM 0 H VAL A 64 -20.575 8.765 -15.581 1.00 30.11 H new ATOM 0 HA VAL A 64 -23.457 8.571 -16.065 1.00 63.42 H new ATOM 0 HB VAL A 64 -21.494 6.554 -14.894 1.00 2.11 H new ATOM 0 HG11 VAL A 64 -23.284 4.918 -15.305 1.00 53.24 H new ATOM 0 HG12 VAL A 64 -23.792 6.179 -14.156 1.00 53.24 H new ATOM 0 HG13 VAL A 64 -24.357 6.232 -15.842 1.00 53.24 H new ATOM 0 HG21 VAL A 64 -21.646 5.435 -17.081 1.00 20.43 H new ATOM 0 HG22 VAL A 64 -22.650 6.771 -17.691 1.00 20.43 H new ATOM 0 HG23 VAL A 64 -20.959 7.071 -17.222 1.00 20.43 H new ATOM 667 N VAL A 65 -24.275 8.500 -13.663 1.00 40.21 N ATOM 668 CA VAL A 65 -24.760 8.749 -12.311 1.00 31.32 C ATOM 669 C VAL A 65 -25.938 7.842 -11.974 1.00 73.33 C ATOM 670 O VAL A 65 -26.875 7.707 -12.761 1.00 75.41 O ATOM 671 CB VAL A 65 -25.188 10.217 -12.129 1.00 54.01 C ATOM 672 CG1 VAL A 65 -25.549 10.493 -10.677 1.00 62.43 C ATOM 673 CG2 VAL A 65 -24.088 11.155 -12.601 1.00 64.11 C ATOM 0 H VAL A 65 -25.002 8.247 -14.332 1.00 40.21 H new ATOM 0 HA VAL A 65 -23.934 8.533 -11.634 1.00 31.32 H new ATOM 0 HB VAL A 65 -26.074 10.397 -12.738 1.00 54.01 H new ATOM 0 HG11 VAL A 65 -25.849 11.535 -10.568 1.00 62.43 H new ATOM 0 HG12 VAL A 65 -26.373 9.845 -10.378 1.00 62.43 H new ATOM 0 HG13 VAL A 65 -24.684 10.296 -10.043 1.00 62.43 H new ATOM 0 HG21 VAL A 65 -24.408 12.188 -12.465 1.00 64.11 H new ATOM 0 HG22 VAL A 65 -23.183 10.976 -12.020 1.00 64.11 H new ATOM 0 HG23 VAL A 65 -23.884 10.974 -13.656 1.00 64.11 H new ATOM 683 N ASP A 66 -25.884 7.222 -10.800 1.00 55.53 N ATOM 684 CA ASP A 66 -26.948 6.329 -10.358 1.00 34.42 C ATOM 685 C ASP A 66 -28.267 7.082 -10.216 1.00 12.25 C ATOM 686 O ASP A 66 -28.419 8.192 -10.728 1.00 22.00 O ATOM 687 CB ASP A 66 -26.574 5.675 -9.027 1.00 0.14 C ATOM 688 CG ASP A 66 -26.579 6.662 -7.876 1.00 21.24 C ATOM 689 OD1 ASP A 66 -26.573 7.882 -8.141 1.00 31.13 O ATOM 690 OD2 ASP A 66 -26.588 6.214 -6.710 1.00 23.23 O ATOM 0 H ASP A 66 -25.115 7.322 -10.138 1.00 55.53 H new ATOM 0 HA ASP A 66 -27.074 5.553 -11.113 1.00 34.42 H new ATOM 0 HB2 ASP A 66 -27.274 4.868 -8.813 1.00 0.14 H new ATOM 0 HB3 ASP A 66 -25.585 5.225 -9.112 1.00 0.14 H new ATOM 695 N LEU A 67 -29.219 6.472 -9.518 1.00 2.12 N ATOM 696 CA LEU A 67 -30.526 7.085 -9.309 1.00 32.34 C ATOM 697 C LEU A 67 -30.562 7.855 -7.992 1.00 74.25 C ATOM 698 O LEU A 67 -31.630 8.084 -7.425 1.00 33.42 O ATOM 699 CB LEU A 67 -31.620 6.015 -9.317 1.00 3.10 C ATOM 700 CG LEU A 67 -31.335 4.757 -8.496 1.00 4.24 C ATOM 701 CD1 LEU A 67 -30.482 3.782 -9.292 1.00 23.32 C ATOM 702 CD2 LEU A 67 -30.651 5.120 -7.185 1.00 71.42 C ATOM 0 H LEU A 67 -29.110 5.554 -9.087 1.00 2.12 H new ATOM 0 HA LEU A 67 -30.706 7.786 -10.124 1.00 32.34 H new ATOM 0 HB2 LEU A 67 -32.542 6.464 -8.948 1.00 3.10 H new ATOM 0 HB3 LEU A 67 -31.801 5.717 -10.350 1.00 3.10 H new ATOM 0 HG LEU A 67 -32.284 4.273 -8.266 1.00 4.24 H new ATOM 0 HD11 LEU A 67 -30.289 2.893 -8.692 1.00 23.32 H new ATOM 0 HD12 LEU A 67 -31.009 3.498 -10.203 1.00 23.32 H new ATOM 0 HD13 LEU A 67 -29.536 4.256 -9.553 1.00 23.32 H new ATOM 0 HD21 LEU A 67 -30.456 4.213 -6.613 1.00 71.42 H new ATOM 0 HD22 LEU A 67 -29.709 5.627 -7.394 1.00 71.42 H new ATOM 0 HD23 LEU A 67 -31.298 5.780 -6.608 1.00 71.42 H new ATOM 714 N SER A 68 -29.388 8.254 -7.514 1.00 33.02 N ATOM 715 CA SER A 68 -29.285 8.997 -6.264 1.00 13.54 C ATOM 716 C SER A 68 -30.065 8.302 -5.152 1.00 21.40 C ATOM 717 O SER A 68 -31.009 8.863 -4.595 1.00 44.03 O ATOM 718 CB SER A 68 -29.805 10.424 -6.450 1.00 44.40 C ATOM 719 OG SER A 68 -29.527 10.902 -7.755 1.00 60.31 O ATOM 0 H SER A 68 -28.495 8.075 -7.973 1.00 33.02 H new ATOM 0 HA SER A 68 -28.234 9.034 -5.979 1.00 13.54 H new ATOM 0 HB2 SER A 68 -30.880 10.449 -6.272 1.00 44.40 H new ATOM 0 HB3 SER A 68 -29.344 11.081 -5.713 1.00 44.40 H new ATOM 0 HG SER A 68 -29.871 11.815 -7.849 1.00 60.31 H new ATOM 725 N ASP A 69 -29.663 7.076 -4.834 1.00 71.15 N ATOM 726 CA ASP A 69 -30.322 6.302 -3.789 1.00 12.12 C ATOM 727 C ASP A 69 -29.917 6.802 -2.406 1.00 22.24 C ATOM 728 O ASP A 69 -28.756 7.139 -2.172 1.00 51.22 O ATOM 729 CB ASP A 69 -29.979 4.818 -3.929 1.00 40.35 C ATOM 730 CG ASP A 69 -31.210 3.955 -4.122 1.00 32.14 C ATOM 731 OD1 ASP A 69 -32.287 4.337 -3.617 1.00 64.31 O ATOM 732 OD2 ASP A 69 -31.097 2.897 -4.776 1.00 32.23 O ATOM 0 H ASP A 69 -28.884 6.597 -5.285 1.00 71.15 H new ATOM 0 HA ASP A 69 -31.399 6.429 -3.901 1.00 12.12 H new ATOM 0 HB2 ASP A 69 -29.307 4.682 -4.776 1.00 40.35 H new ATOM 0 HB3 ASP A 69 -29.442 4.487 -3.040 1.00 40.35 H new ATOM 737 N ASP A 70 -30.881 6.847 -1.493 1.00 2.32 N ATOM 738 CA ASP A 70 -30.625 7.306 -0.132 1.00 64.04 C ATOM 739 C ASP A 70 -29.739 6.315 0.617 1.00 11.53 C ATOM 740 O ASP A 70 -29.232 6.615 1.697 1.00 2.41 O ATOM 741 CB ASP A 70 -31.942 7.502 0.619 1.00 31.43 C ATOM 742 CG ASP A 70 -32.326 8.963 0.745 1.00 63.13 C ATOM 743 OD1 ASP A 70 -32.254 9.685 -0.272 1.00 24.01 O ATOM 744 OD2 ASP A 70 -32.699 9.384 1.859 1.00 1.42 O ATOM 0 H ASP A 70 -31.847 6.571 -1.670 1.00 2.32 H new ATOM 0 HA ASP A 70 -30.103 8.261 -0.188 1.00 64.04 H new ATOM 0 HB2 ASP A 70 -32.736 6.964 0.100 1.00 31.43 H new ATOM 0 HB3 ASP A 70 -31.858 7.065 1.614 1.00 31.43 H new ATOM 749 N ASN A 71 -29.559 5.133 0.037 1.00 50.53 N ATOM 750 CA ASN A 71 -28.736 4.098 0.651 1.00 72.22 C ATOM 751 C ASN A 71 -27.485 3.832 -0.181 1.00 53.23 C ATOM 752 O ASN A 71 -26.580 3.119 0.251 1.00 61.25 O ATOM 753 CB ASN A 71 -29.540 2.806 0.810 1.00 73.21 C ATOM 754 CG ASN A 71 -30.743 2.981 1.717 1.00 40.32 C ATOM 755 OD1 ASN A 71 -30.785 3.895 2.541 1.00 50.24 O ATOM 756 ND2 ASN A 71 -31.728 2.104 1.569 1.00 74.41 N ATOM 0 H ASN A 71 -29.972 4.868 -0.857 1.00 50.53 H new ATOM 0 HA ASN A 71 -28.428 4.450 1.635 1.00 72.22 H new ATOM 0 HB2 ASN A 71 -29.874 2.466 -0.170 1.00 73.21 H new ATOM 0 HB3 ASN A 71 -28.894 2.027 1.214 1.00 73.21 H new ATOM 0 HD21 ASN A 71 -32.563 2.172 2.151 1.00 74.41 H new ATOM 0 HD22 ASN A 71 -31.650 1.362 0.873 1.00 74.41 H new ATOM 763 N SER A 72 -27.442 4.412 -1.377 1.00 33.13 N ATOM 764 CA SER A 72 -26.304 4.236 -2.271 1.00 72.42 C ATOM 765 C SER A 72 -25.637 5.574 -2.572 1.00 10.44 C ATOM 766 O SER A 72 -24.545 5.860 -2.082 1.00 13.52 O ATOM 767 CB SER A 72 -26.751 3.572 -3.575 1.00 74.20 C ATOM 768 OG SER A 72 -25.648 3.341 -4.434 1.00 73.40 O ATOM 0 H SER A 72 -28.182 5.007 -1.749 1.00 33.13 H new ATOM 0 HA SER A 72 -25.579 3.592 -1.773 1.00 72.42 H new ATOM 0 HB2 SER A 72 -27.248 2.627 -3.354 1.00 74.20 H new ATOM 0 HB3 SER A 72 -27.481 4.206 -4.078 1.00 74.20 H new ATOM 0 HG SER A 72 -25.960 2.915 -5.259 1.00 73.40 H new ATOM 774 N GLY A 73 -26.303 6.392 -3.382 1.00 21.12 N ATOM 775 CA GLY A 73 -25.760 7.691 -3.735 1.00 32.24 C ATOM 776 C GLY A 73 -24.334 7.605 -4.241 1.00 2.15 C ATOM 777 O GLY A 73 -23.384 7.723 -3.466 1.00 40.11 O ATOM 0 H GLY A 73 -27.209 6.178 -3.800 1.00 21.12 H new ATOM 0 HA2 GLY A 73 -26.387 8.148 -4.501 1.00 32.24 H new ATOM 0 HA3 GLY A 73 -25.794 8.345 -2.863 1.00 32.24 H new ATOM 781 N LYS A 74 -24.182 7.398 -5.544 1.00 64.41 N ATOM 782 CA LYS A 74 -22.861 7.295 -6.154 1.00 11.41 C ATOM 783 C LYS A 74 -22.917 7.656 -7.635 1.00 65.10 C ATOM 784 O LYS A 74 -23.980 7.975 -8.166 1.00 63.45 O ATOM 785 CB LYS A 74 -22.306 5.880 -5.983 1.00 71.52 C ATOM 786 CG LYS A 74 -23.208 4.800 -6.556 1.00 23.42 C ATOM 787 CD LYS A 74 -22.499 3.457 -6.620 1.00 4.30 C ATOM 788 CE LYS A 74 -23.490 2.304 -6.634 1.00 64.54 C ATOM 789 NZ LYS A 74 -22.862 1.039 -7.110 1.00 53.40 N ATOM 0 H LYS A 74 -24.958 7.298 -6.199 1.00 64.41 H new ATOM 0 HA LYS A 74 -22.200 8.000 -5.651 1.00 11.41 H new ATOM 0 HB2 LYS A 74 -21.330 5.821 -6.465 1.00 71.52 H new ATOM 0 HB3 LYS A 74 -22.149 5.686 -4.922 1.00 71.52 H new ATOM 0 HG2 LYS A 74 -24.105 4.710 -5.943 1.00 23.42 H new ATOM 0 HG3 LYS A 74 -23.533 5.089 -7.555 1.00 23.42 H new ATOM 0 HD2 LYS A 74 -21.877 3.415 -7.514 1.00 4.30 H new ATOM 0 HD3 LYS A 74 -21.833 3.355 -5.764 1.00 4.30 H new ATOM 0 HE2 LYS A 74 -23.890 2.156 -5.631 1.00 64.54 H new ATOM 0 HE3 LYS A 74 -24.332 2.556 -7.278 1.00 64.54 H new ATOM 0 HZ1 LYS A 74 -23.581 0.289 -7.154 1.00 53.40 H new ATOM 0 HZ2 LYS A 74 -22.458 1.187 -8.057 1.00 53.40 H new ATOM 0 HZ3 LYS A 74 -22.108 0.757 -6.452 1.00 53.40 H new ATOM 803 N ALA A 75 -21.765 7.602 -8.296 1.00 62.10 N ATOM 804 CA ALA A 75 -21.684 7.919 -9.716 1.00 44.33 C ATOM 805 C ALA A 75 -20.326 7.528 -10.289 1.00 43.15 C ATOM 806 O ALA A 75 -19.465 7.012 -9.576 1.00 33.20 O ATOM 807 CB ALA A 75 -21.947 9.401 -9.942 1.00 22.21 C ATOM 0 H ALA A 75 -20.875 7.342 -7.870 1.00 62.10 H new ATOM 0 HA ALA A 75 -22.449 7.342 -10.236 1.00 44.33 H new ATOM 0 HB1 ALA A 75 -21.883 9.624 -11.007 1.00 22.21 H new ATOM 0 HB2 ALA A 75 -22.943 9.654 -9.577 1.00 22.21 H new ATOM 0 HB3 ALA A 75 -21.204 9.989 -9.403 1.00 22.21 H new ATOM 813 N TYR A 76 -20.140 7.776 -11.581 1.00 54.41 N ATOM 814 CA TYR A 76 -18.888 7.447 -12.251 1.00 22.12 C ATOM 815 C TYR A 76 -18.555 8.480 -13.323 1.00 2.34 C ATOM 816 O TYR A 76 -19.375 8.775 -14.192 1.00 53.13 O ATOM 817 CB TYR A 76 -18.971 6.054 -12.878 1.00 13.23 C ATOM 818 CG TYR A 76 -19.797 5.076 -12.073 1.00 11.33 C ATOM 819 CD1 TYR A 76 -21.175 5.002 -12.236 1.00 20.42 C ATOM 820 CD2 TYR A 76 -19.200 4.228 -11.149 1.00 20.04 C ATOM 821 CE1 TYR A 76 -21.934 4.110 -11.502 1.00 42.21 C ATOM 822 CE2 TYR A 76 -19.951 3.333 -10.412 1.00 24.43 C ATOM 823 CZ TYR A 76 -21.317 3.278 -10.592 1.00 20.42 C ATOM 824 OH TYR A 76 -22.068 2.388 -9.859 1.00 34.04 O ATOM 0 H TYR A 76 -20.841 8.204 -12.185 1.00 54.41 H new ATOM 0 HA TYR A 76 -18.094 7.456 -11.505 1.00 22.12 H new ATOM 0 HB2 TYR A 76 -19.397 6.140 -13.878 1.00 13.23 H new ATOM 0 HB3 TYR A 76 -17.963 5.656 -12.994 1.00 13.23 H new ATOM 0 HD1 TYR A 76 -21.661 5.652 -12.948 1.00 20.42 H new ATOM 0 HD2 TYR A 76 -18.131 4.269 -11.004 1.00 20.04 H new ATOM 0 HE1 TYR A 76 -23.004 4.065 -11.640 1.00 42.21 H new ATOM 0 HE2 TYR A 76 -19.471 2.680 -9.699 1.00 24.43 H new ATOM 0 HH TYR A 76 -21.669 1.495 -9.920 1.00 34.04 H new ATOM 834 N ILE A 77 -17.345 9.026 -13.253 1.00 54.23 N ATOM 835 CA ILE A 77 -16.902 10.025 -14.218 1.00 13.01 C ATOM 836 C ILE A 77 -15.837 9.456 -15.149 1.00 31.32 C ATOM 837 O ILE A 77 -14.688 9.265 -14.751 1.00 63.43 O ATOM 838 CB ILE A 77 -16.340 11.275 -13.516 1.00 24.12 C ATOM 839 CG1 ILE A 77 -17.288 11.733 -12.406 1.00 4.42 C ATOM 840 CG2 ILE A 77 -16.115 12.393 -14.523 1.00 72.54 C ATOM 841 CD1 ILE A 77 -16.804 12.962 -11.667 1.00 21.40 C ATOM 0 H ILE A 77 -16.655 8.794 -12.539 1.00 54.23 H new ATOM 0 HA ILE A 77 -17.777 10.309 -14.802 1.00 13.01 H new ATOM 0 HB ILE A 77 -15.380 11.020 -13.066 1.00 24.12 H new ATOM 0 HG12 ILE A 77 -18.267 11.941 -12.838 1.00 4.42 H new ATOM 0 HG13 ILE A 77 -17.420 10.919 -11.693 1.00 4.42 H new ATOM 0 HG21 ILE A 77 -15.718 13.269 -14.011 1.00 72.54 H new ATOM 0 HG22 ILE A 77 -15.405 12.062 -15.281 1.00 72.54 H new ATOM 0 HG23 ILE A 77 -17.061 12.649 -15.000 1.00 72.54 H new ATOM 0 HD11 ILE A 77 -17.525 13.230 -10.895 1.00 21.40 H new ATOM 0 HD12 ILE A 77 -15.839 12.753 -11.205 1.00 21.40 H new ATOM 0 HD13 ILE A 77 -16.699 13.790 -12.368 1.00 21.40 H new ATOM 853 N VAL A 78 -16.227 9.188 -16.391 1.00 65.12 N ATOM 854 CA VAL A 78 -15.305 8.643 -17.381 1.00 4.23 C ATOM 855 C VAL A 78 -14.440 9.741 -17.989 1.00 41.43 C ATOM 856 O VAL A 78 -14.951 10.744 -18.488 1.00 10.42 O ATOM 857 CB VAL A 78 -16.059 7.914 -18.509 1.00 5.22 C ATOM 858 CG1 VAL A 78 -15.084 7.164 -19.405 1.00 14.35 C ATOM 859 CG2 VAL A 78 -17.099 6.968 -17.929 1.00 21.12 C ATOM 0 H VAL A 78 -17.175 9.339 -16.736 1.00 65.12 H new ATOM 0 HA VAL A 78 -14.667 7.929 -16.860 1.00 4.23 H new ATOM 0 HB VAL A 78 -16.576 8.657 -19.117 1.00 5.22 H new ATOM 0 HG11 VAL A 78 -15.635 6.655 -20.196 1.00 14.35 H new ATOM 0 HG12 VAL A 78 -14.381 7.869 -19.848 1.00 14.35 H new ATOM 0 HG13 VAL A 78 -14.537 6.430 -18.813 1.00 14.35 H new ATOM 0 HG21 VAL A 78 -17.622 6.461 -18.740 1.00 21.12 H new ATOM 0 HG22 VAL A 78 -16.606 6.229 -17.297 1.00 21.12 H new ATOM 0 HG23 VAL A 78 -17.815 7.535 -17.334 1.00 21.12 H new ATOM 869 N PHE A 79 -13.126 9.545 -17.946 1.00 33.11 N ATOM 870 CA PHE A 79 -12.189 10.519 -18.493 1.00 30.02 C ATOM 871 C PHE A 79 -11.553 9.999 -19.779 1.00 55.41 C ATOM 872 O PHE A 79 -11.825 8.879 -20.210 1.00 13.22 O ATOM 873 CB PHE A 79 -11.101 10.843 -17.467 1.00 65.53 C ATOM 874 CG PHE A 79 -11.556 11.780 -16.386 1.00 4.13 C ATOM 875 CD1 PHE A 79 -11.574 13.149 -16.600 1.00 22.03 C ATOM 876 CD2 PHE A 79 -11.966 11.293 -15.155 1.00 64.33 C ATOM 877 CE1 PHE A 79 -11.991 14.014 -15.606 1.00 33.22 C ATOM 878 CE2 PHE A 79 -12.385 12.153 -14.158 1.00 24.33 C ATOM 879 CZ PHE A 79 -12.398 13.515 -14.384 1.00 13.12 C ATOM 0 H PHE A 79 -12.686 8.720 -17.538 1.00 33.11 H new ATOM 0 HA PHE A 79 -12.743 11.429 -18.725 1.00 30.02 H new ATOM 0 HB2 PHE A 79 -10.755 9.915 -17.011 1.00 65.53 H new ATOM 0 HB3 PHE A 79 -10.247 11.283 -17.982 1.00 65.53 H new ATOM 0 HD1 PHE A 79 -11.259 13.544 -17.554 1.00 22.03 H new ATOM 0 HD2 PHE A 79 -11.958 10.229 -14.973 1.00 64.33 H new ATOM 0 HE1 PHE A 79 -11.999 15.079 -15.785 1.00 33.22 H new ATOM 0 HE2 PHE A 79 -12.702 11.760 -13.203 1.00 24.33 H new ATOM 0 HZ PHE A 79 -12.726 14.189 -13.607 1.00 13.12 H new ATOM 889 N ALA A 80 -10.706 10.823 -20.388 1.00 31.33 N ATOM 890 CA ALA A 80 -10.031 10.447 -21.623 1.00 65.15 C ATOM 891 C ALA A 80 -9.137 9.230 -21.412 1.00 65.21 C ATOM 892 O ALA A 80 -9.077 8.335 -22.257 1.00 11.34 O ATOM 893 CB ALA A 80 -9.216 11.616 -22.156 1.00 50.43 C ATOM 0 H ALA A 80 -10.472 11.755 -20.046 1.00 31.33 H new ATOM 0 HA ALA A 80 -10.792 10.183 -22.358 1.00 65.15 H new ATOM 0 HB1 ALA A 80 -8.717 11.321 -23.079 1.00 50.43 H new ATOM 0 HB2 ALA A 80 -9.877 12.460 -22.355 1.00 50.43 H new ATOM 0 HB3 ALA A 80 -8.469 11.906 -21.417 1.00 50.43 H new ATOM 899 N THR A 81 -8.441 9.202 -20.280 1.00 22.44 N ATOM 900 CA THR A 81 -7.548 8.095 -19.958 1.00 52.32 C ATOM 901 C THR A 81 -7.132 8.133 -18.492 1.00 65.14 C ATOM 902 O THR A 81 -7.358 9.124 -17.799 1.00 40.33 O ATOM 903 CB THR A 81 -6.285 8.118 -20.840 1.00 13.01 C ATOM 904 OG1 THR A 81 -6.365 9.193 -21.782 1.00 72.05 O ATOM 905 CG2 THR A 81 -6.118 6.799 -21.580 1.00 10.42 C ATOM 0 H THR A 81 -8.478 9.934 -19.570 1.00 22.44 H new ATOM 0 HA THR A 81 -8.101 7.176 -20.152 1.00 52.32 H new ATOM 0 HB THR A 81 -5.420 8.266 -20.194 1.00 13.01 H new ATOM 0 HG1 THR A 81 -5.558 9.202 -22.338 1.00 72.05 H new ATOM 0 HG21 THR A 81 -5.220 6.839 -22.196 1.00 10.42 H new ATOM 0 HG22 THR A 81 -6.028 5.986 -20.859 1.00 10.42 H new ATOM 0 HG23 THR A 81 -6.987 6.626 -22.215 1.00 10.42 H new ATOM 913 N GLN A 82 -6.521 7.048 -18.027 1.00 73.44 N ATOM 914 CA GLN A 82 -6.073 6.958 -16.643 1.00 11.03 C ATOM 915 C GLN A 82 -5.222 8.166 -16.267 1.00 4.21 C ATOM 916 O GLN A 82 -5.198 8.584 -15.110 1.00 23.12 O ATOM 917 CB GLN A 82 -5.277 5.670 -16.425 1.00 1.24 C ATOM 918 CG GLN A 82 -5.270 5.196 -14.980 1.00 52.42 C ATOM 919 CD GLN A 82 -3.933 5.417 -14.300 1.00 34.30 C ATOM 920 OE1 GLN A 82 -3.287 6.447 -14.494 1.00 71.32 O ATOM 921 NE2 GLN A 82 -3.511 4.448 -13.496 1.00 61.55 N ATOM 0 H GLN A 82 -6.325 6.219 -18.589 1.00 73.44 H new ATOM 0 HA GLN A 82 -6.955 6.944 -16.002 1.00 11.03 H new ATOM 0 HB2 GLN A 82 -5.694 4.884 -17.054 1.00 1.24 H new ATOM 0 HB3 GLN A 82 -4.249 5.828 -16.752 1.00 1.24 H new ATOM 0 HG2 GLN A 82 -6.047 5.722 -14.425 1.00 52.42 H new ATOM 0 HG3 GLN A 82 -5.519 4.135 -14.948 1.00 52.42 H new ATOM 0 HE21 GLN A 82 -4.079 3.611 -13.364 1.00 61.55 H new ATOM 0 HE22 GLN A 82 -2.619 4.541 -13.010 1.00 61.55 H new ATOM 930 N GLU A 83 -4.524 8.722 -17.253 1.00 11.14 N ATOM 931 CA GLU A 83 -3.670 9.882 -17.024 1.00 33.24 C ATOM 932 C GLU A 83 -4.473 11.042 -16.442 1.00 0.00 C ATOM 933 O GLU A 83 -4.113 11.603 -15.407 1.00 62.21 O ATOM 934 CB GLU A 83 -3.000 10.315 -18.329 1.00 23.00 C ATOM 935 CG GLU A 83 -1.985 9.313 -18.853 1.00 43.34 C ATOM 936 CD GLU A 83 -1.153 9.868 -19.993 1.00 43.22 C ATOM 937 OE1 GLU A 83 -0.451 10.879 -19.778 1.00 34.04 O ATOM 938 OE2 GLU A 83 -1.203 9.293 -21.100 1.00 63.41 O ATOM 0 H GLU A 83 -4.533 8.388 -18.217 1.00 11.14 H new ATOM 0 HA GLU A 83 -2.901 9.599 -16.306 1.00 33.24 H new ATOM 0 HB2 GLU A 83 -3.767 10.472 -19.087 1.00 23.00 H new ATOM 0 HB3 GLU A 83 -2.505 11.273 -18.173 1.00 23.00 H new ATOM 0 HG2 GLU A 83 -1.325 9.011 -18.040 1.00 43.34 H new ATOM 0 HG3 GLU A 83 -2.506 8.417 -19.191 1.00 43.34 H new ATOM 945 N SER A 84 -5.562 11.397 -17.116 1.00 34.32 N ATOM 946 CA SER A 84 -6.414 12.493 -16.669 1.00 74.33 C ATOM 947 C SER A 84 -7.194 12.100 -15.418 1.00 71.42 C ATOM 948 O SER A 84 -7.277 12.866 -14.459 1.00 21.01 O ATOM 949 CB SER A 84 -7.383 12.899 -17.781 1.00 74.02 C ATOM 950 OG SER A 84 -6.927 14.058 -18.457 1.00 61.33 O ATOM 0 H SER A 84 -5.875 10.942 -17.973 1.00 34.32 H new ATOM 0 HA SER A 84 -5.775 13.341 -16.425 1.00 74.33 H new ATOM 0 HB2 SER A 84 -7.491 12.079 -18.491 1.00 74.02 H new ATOM 0 HB3 SER A 84 -8.370 13.086 -17.357 1.00 74.02 H new ATOM 0 HG SER A 84 -7.563 14.296 -19.164 1.00 61.33 H new ATOM 956 N ALA A 85 -7.764 10.899 -15.437 1.00 14.32 N ATOM 957 CA ALA A 85 -8.536 10.402 -14.304 1.00 42.52 C ATOM 958 C ALA A 85 -7.734 10.495 -13.011 1.00 3.13 C ATOM 959 O ALA A 85 -8.203 11.051 -12.018 1.00 21.41 O ATOM 960 CB ALA A 85 -8.975 8.967 -14.554 1.00 2.23 C ATOM 0 H ALA A 85 -7.706 10.253 -16.224 1.00 14.32 H new ATOM 0 HA ALA A 85 -9.422 11.028 -14.197 1.00 42.52 H new ATOM 0 HB1 ALA A 85 -9.550 8.609 -13.700 1.00 2.23 H new ATOM 0 HB2 ALA A 85 -9.593 8.927 -15.451 1.00 2.23 H new ATOM 0 HB3 ALA A 85 -8.097 8.336 -14.690 1.00 2.23 H new ATOM 966 N GLN A 86 -6.523 9.947 -13.030 1.00 30.10 N ATOM 967 CA GLN A 86 -5.657 9.967 -11.857 1.00 50.21 C ATOM 968 C GLN A 86 -5.429 11.395 -11.374 1.00 2.55 C ATOM 969 O GLN A 86 -5.366 11.652 -10.172 1.00 30.55 O ATOM 970 CB GLN A 86 -4.316 9.304 -12.176 1.00 31.55 C ATOM 971 CG GLN A 86 -3.308 9.394 -11.041 1.00 72.51 C ATOM 972 CD GLN A 86 -2.523 8.110 -10.855 1.00 11.12 C ATOM 973 OE1 GLN A 86 -1.518 7.880 -11.528 1.00 52.13 O ATOM 974 NE2 GLN A 86 -2.978 7.265 -9.937 1.00 13.31 N ATOM 0 H GLN A 86 -6.120 9.484 -13.844 1.00 30.10 H new ATOM 0 HA GLN A 86 -6.151 9.408 -11.062 1.00 50.21 H new ATOM 0 HB2 GLN A 86 -4.487 8.255 -12.417 1.00 31.55 H new ATOM 0 HB3 GLN A 86 -3.892 9.770 -13.065 1.00 31.55 H new ATOM 0 HG2 GLN A 86 -2.616 10.213 -11.238 1.00 72.51 H new ATOM 0 HG3 GLN A 86 -3.830 9.634 -10.115 1.00 72.51 H new ATOM 0 HE21 GLN A 86 -3.815 7.496 -9.402 1.00 13.31 H new ATOM 0 HE22 GLN A 86 -2.490 6.385 -9.767 1.00 13.31 H new ATOM 983 N ALA A 87 -5.305 12.322 -12.318 1.00 50.11 N ATOM 984 CA ALA A 87 -5.085 13.725 -11.988 1.00 74.32 C ATOM 985 C ALA A 87 -6.288 14.311 -11.256 1.00 43.34 C ATOM 986 O ALA A 87 -6.135 15.058 -10.289 1.00 41.04 O ATOM 987 CB ALA A 87 -4.791 14.524 -13.249 1.00 73.22 C ATOM 0 H ALA A 87 -5.353 12.127 -13.318 1.00 50.11 H new ATOM 0 HA ALA A 87 -4.223 13.786 -11.324 1.00 74.32 H new ATOM 0 HB1 ALA A 87 -4.629 15.570 -12.988 1.00 73.22 H new ATOM 0 HB2 ALA A 87 -3.897 14.128 -13.731 1.00 73.22 H new ATOM 0 HB3 ALA A 87 -5.636 14.448 -13.933 1.00 73.22 H new ATOM 993 N PHE A 88 -7.484 13.969 -11.724 1.00 3.40 N ATOM 994 CA PHE A 88 -8.713 14.464 -11.115 1.00 22.14 C ATOM 995 C PHE A 88 -8.983 13.761 -9.788 1.00 31.34 C ATOM 996 O PHE A 88 -9.498 14.364 -8.846 1.00 24.02 O ATOM 997 CB PHE A 88 -9.896 14.259 -12.063 1.00 43.23 C ATOM 998 CG PHE A 88 -11.228 14.535 -11.428 1.00 54.40 C ATOM 999 CD1 PHE A 88 -11.906 13.537 -10.747 1.00 55.14 C ATOM 1000 CD2 PHE A 88 -11.803 15.793 -11.512 1.00 13.30 C ATOM 1001 CE1 PHE A 88 -13.133 13.788 -10.161 1.00 61.13 C ATOM 1002 CE2 PHE A 88 -13.029 16.050 -10.928 1.00 11.14 C ATOM 1003 CZ PHE A 88 -13.695 15.046 -10.253 1.00 33.05 C ATOM 0 H PHE A 88 -7.628 13.351 -12.523 1.00 3.40 H new ATOM 0 HA PHE A 88 -8.590 15.530 -10.924 1.00 22.14 H new ATOM 0 HB2 PHE A 88 -9.774 14.909 -12.929 1.00 43.23 H new ATOM 0 HB3 PHE A 88 -9.883 13.233 -12.430 1.00 43.23 H new ATOM 0 HD1 PHE A 88 -11.471 12.551 -10.673 1.00 55.14 H new ATOM 0 HD2 PHE A 88 -11.287 16.582 -12.040 1.00 13.30 H new ATOM 0 HE1 PHE A 88 -13.651 13.002 -9.632 1.00 61.13 H new ATOM 0 HE2 PHE A 88 -13.466 17.035 -10.999 1.00 11.14 H new ATOM 0 HZ PHE A 88 -14.654 15.244 -9.798 1.00 33.05 H new ATOM 1013 N VAL A 89 -8.633 12.480 -9.721 1.00 44.11 N ATOM 1014 CA VAL A 89 -8.836 11.694 -8.510 1.00 73.45 C ATOM 1015 C VAL A 89 -7.940 12.184 -7.379 1.00 41.31 C ATOM 1016 O VAL A 89 -8.364 12.260 -6.227 1.00 15.13 O ATOM 1017 CB VAL A 89 -8.559 10.199 -8.759 1.00 11.01 C ATOM 1018 CG1 VAL A 89 -8.705 9.407 -7.469 1.00 13.05 C ATOM 1019 CG2 VAL A 89 -9.488 9.657 -9.835 1.00 3.10 C ATOM 0 H VAL A 89 -8.207 11.965 -10.492 1.00 44.11 H new ATOM 0 HA VAL A 89 -9.880 11.820 -8.222 1.00 73.45 H new ATOM 0 HB VAL A 89 -7.533 10.091 -9.109 1.00 11.01 H new ATOM 0 HG11 VAL A 89 -8.506 8.353 -7.664 1.00 13.05 H new ATOM 0 HG12 VAL A 89 -7.995 9.780 -6.731 1.00 13.05 H new ATOM 0 HG13 VAL A 89 -9.719 9.519 -7.086 1.00 13.05 H new ATOM 0 HG21 VAL A 89 -9.278 8.600 -9.998 1.00 3.10 H new ATOM 0 HG22 VAL A 89 -10.523 9.777 -9.516 1.00 3.10 H new ATOM 0 HG23 VAL A 89 -9.329 10.206 -10.763 1.00 3.10 H new ATOM 1029 N GLU A 90 -6.698 12.517 -7.717 1.00 60.11 N ATOM 1030 CA GLU A 90 -5.741 13.000 -6.728 1.00 54.44 C ATOM 1031 C GLU A 90 -5.954 14.485 -6.446 1.00 60.13 C ATOM 1032 O GLU A 90 -5.608 14.979 -5.374 1.00 11.51 O ATOM 1033 CB GLU A 90 -4.310 12.762 -7.212 1.00 65.13 C ATOM 1034 CG GLU A 90 -3.844 13.766 -8.253 1.00 44.01 C ATOM 1035 CD GLU A 90 -3.003 14.878 -7.656 1.00 23.42 C ATOM 1036 OE1 GLU A 90 -1.853 14.602 -7.253 1.00 52.05 O ATOM 1037 OE2 GLU A 90 -3.495 16.024 -7.591 1.00 61.33 O ATOM 0 H GLU A 90 -6.331 12.461 -8.667 1.00 60.11 H new ATOM 0 HA GLU A 90 -5.901 12.445 -5.804 1.00 54.44 H new ATOM 0 HB2 GLU A 90 -3.635 12.799 -6.357 1.00 65.13 H new ATOM 0 HB3 GLU A 90 -4.239 11.758 -7.631 1.00 65.13 H new ATOM 0 HG2 GLU A 90 -3.265 13.248 -9.018 1.00 44.01 H new ATOM 0 HG3 GLU A 90 -4.713 14.199 -8.749 1.00 44.01 H new ATOM 1044 N ALA A 91 -6.525 15.190 -7.418 1.00 21.15 N ATOM 1045 CA ALA A 91 -6.785 16.617 -7.274 1.00 71.11 C ATOM 1046 C ALA A 91 -7.995 16.867 -6.380 1.00 51.23 C ATOM 1047 O ALA A 91 -8.120 17.930 -5.771 1.00 74.23 O ATOM 1048 CB ALA A 91 -6.994 17.255 -8.639 1.00 40.23 C ATOM 0 H ALA A 91 -6.816 14.796 -8.313 1.00 21.15 H new ATOM 0 HA ALA A 91 -5.916 17.074 -6.801 1.00 71.11 H new ATOM 0 HB1 ALA A 91 -7.187 18.321 -8.517 1.00 40.23 H new ATOM 0 HB2 ALA A 91 -6.100 17.116 -9.246 1.00 40.23 H new ATOM 0 HB3 ALA A 91 -7.845 16.786 -9.133 1.00 40.23 H new ATOM 1054 N PHE A 92 -8.884 15.882 -6.307 1.00 13.33 N ATOM 1055 CA PHE A 92 -10.086 15.997 -5.488 1.00 62.34 C ATOM 1056 C PHE A 92 -10.144 14.881 -4.449 1.00 53.10 C ATOM 1057 O PHE A 92 -11.151 14.713 -3.761 1.00 63.41 O ATOM 1058 CB PHE A 92 -11.335 15.953 -6.370 1.00 53.44 C ATOM 1059 CG PHE A 92 -11.540 17.201 -7.181 1.00 52.12 C ATOM 1060 CD1 PHE A 92 -10.627 17.567 -8.157 1.00 21.21 C ATOM 1061 CD2 PHE A 92 -12.646 18.008 -6.968 1.00 73.21 C ATOM 1062 CE1 PHE A 92 -10.813 18.715 -8.904 1.00 22.32 C ATOM 1063 CE2 PHE A 92 -12.838 19.157 -7.712 1.00 62.22 C ATOM 1064 CZ PHE A 92 -11.920 19.510 -8.682 1.00 52.01 C ATOM 0 H PHE A 92 -8.795 14.996 -6.804 1.00 13.33 H new ATOM 0 HA PHE A 92 -10.051 16.954 -4.967 1.00 62.34 H new ATOM 0 HB2 PHE A 92 -11.265 15.099 -7.044 1.00 53.44 H new ATOM 0 HB3 PHE A 92 -12.210 15.791 -5.740 1.00 53.44 H new ATOM 0 HD1 PHE A 92 -9.760 16.948 -8.336 1.00 21.21 H new ATOM 0 HD2 PHE A 92 -13.367 17.736 -6.211 1.00 73.21 H new ATOM 0 HE1 PHE A 92 -10.093 18.990 -9.661 1.00 22.32 H new ATOM 0 HE2 PHE A 92 -13.704 19.778 -7.535 1.00 62.22 H new ATOM 0 HZ PHE A 92 -12.068 20.406 -9.266 1.00 52.01 H new ATOM 1074 N GLN A 93 -9.058 14.122 -4.342 1.00 52.34 N ATOM 1075 CA GLN A 93 -8.986 13.022 -3.388 1.00 74.05 C ATOM 1076 C GLN A 93 -9.447 13.470 -2.005 1.00 62.22 C ATOM 1077 O GLN A 93 -10.022 12.689 -1.248 1.00 71.14 O ATOM 1078 CB GLN A 93 -7.559 12.477 -3.312 1.00 41.54 C ATOM 1079 CG GLN A 93 -7.308 11.595 -2.100 1.00 51.31 C ATOM 1080 CD GLN A 93 -5.906 11.019 -2.078 1.00 10.03 C ATOM 1081 OE1 GLN A 93 -5.723 9.802 -2.038 1.00 12.04 O ATOM 1082 NE2 GLN A 93 -4.906 11.893 -2.104 1.00 32.42 N ATOM 0 H GLN A 93 -8.216 14.249 -4.904 1.00 52.34 H new ATOM 0 HA GLN A 93 -9.651 12.231 -3.734 1.00 74.05 H new ATOM 0 HB2 GLN A 93 -7.349 11.906 -4.216 1.00 41.54 H new ATOM 0 HB3 GLN A 93 -6.860 13.313 -3.293 1.00 41.54 H new ATOM 0 HG2 GLN A 93 -7.472 12.176 -1.192 1.00 51.31 H new ATOM 0 HG3 GLN A 93 -8.032 10.780 -2.092 1.00 51.31 H new ATOM 0 HE21 GLN A 93 -5.104 12.893 -2.137 1.00 32.42 H new ATOM 0 HE22 GLN A 93 -3.941 11.564 -2.091 1.00 32.42 H new ATOM 1091 N GLY A 94 -9.189 14.733 -1.681 1.00 42.31 N ATOM 1092 CA GLY A 94 -9.583 15.263 -0.389 1.00 12.02 C ATOM 1093 C GLY A 94 -10.118 16.678 -0.481 1.00 50.31 C ATOM 1094 O GLY A 94 -9.595 17.590 0.160 1.00 13.04 O ATOM 0 H GLY A 94 -8.714 15.399 -2.290 1.00 42.31 H new ATOM 0 HA2 GLY A 94 -10.345 14.618 0.048 1.00 12.02 H new ATOM 0 HA3 GLY A 94 -8.726 15.245 0.284 1.00 12.02 H new ATOM 1098 N TYR A 95 -11.161 16.864 -1.282 1.00 74.40 N ATOM 1099 CA TYR A 95 -11.765 18.179 -1.459 1.00 43.14 C ATOM 1100 C TYR A 95 -13.225 18.173 -1.018 1.00 31.41 C ATOM 1101 O TYR A 95 -13.987 17.254 -1.318 1.00 73.35 O ATOM 1102 CB TYR A 95 -11.664 18.616 -2.922 1.00 13.43 C ATOM 1103 CG TYR A 95 -12.335 19.941 -3.205 1.00 14.41 C ATOM 1104 CD1 TYR A 95 -13.701 20.011 -3.454 1.00 44.54 C ATOM 1105 CD2 TYR A 95 -11.605 21.123 -3.224 1.00 24.20 C ATOM 1106 CE1 TYR A 95 -14.318 21.220 -3.714 1.00 71.33 C ATOM 1107 CE2 TYR A 95 -12.214 22.336 -3.481 1.00 61.55 C ATOM 1108 CZ TYR A 95 -13.571 22.379 -3.726 1.00 63.22 C ATOM 1109 OH TYR A 95 -14.181 23.585 -3.985 1.00 31.34 O ATOM 0 H TYR A 95 -11.606 16.120 -1.819 1.00 74.40 H new ATOM 0 HA TYR A 95 -11.220 18.888 -0.836 1.00 43.14 H new ATOM 0 HB2 TYR A 95 -10.612 18.684 -3.201 1.00 13.43 H new ATOM 0 HB3 TYR A 95 -12.112 17.849 -3.554 1.00 13.43 H new ATOM 0 HD1 TYR A 95 -14.290 19.106 -3.444 1.00 44.54 H new ATOM 0 HD2 TYR A 95 -10.542 21.093 -3.034 1.00 24.20 H new ATOM 0 HE1 TYR A 95 -15.380 21.257 -3.907 1.00 71.33 H new ATOM 0 HE2 TYR A 95 -11.631 23.245 -3.490 1.00 61.55 H new ATOM 0 HH TYR A 95 -13.514 24.302 -3.955 1.00 31.34 H new ATOM 1119 N PRO A 96 -13.626 19.224 -0.287 1.00 63.40 N ATOM 1120 CA PRO A 96 -14.997 19.365 0.211 1.00 31.42 C ATOM 1121 C PRO A 96 -15.995 19.638 -0.908 1.00 54.14 C ATOM 1122 O PRO A 96 -16.043 20.740 -1.456 1.00 20.11 O ATOM 1123 CB PRO A 96 -14.910 20.566 1.155 1.00 3.52 C ATOM 1124 CG PRO A 96 -13.750 21.357 0.655 1.00 11.05 C ATOM 1125 CD PRO A 96 -12.771 20.355 0.109 1.00 42.43 C ATOM 0 HA PRO A 96 -15.352 18.453 0.691 1.00 31.42 H new ATOM 0 HB2 PRO A 96 -15.828 21.153 1.134 1.00 3.52 H new ATOM 0 HB3 PRO A 96 -14.758 20.249 2.187 1.00 3.52 H new ATOM 0 HG2 PRO A 96 -14.061 22.060 -0.118 1.00 11.05 H new ATOM 0 HG3 PRO A 96 -13.302 21.943 1.458 1.00 11.05 H new ATOM 0 HD2 PRO A 96 -12.217 20.756 -0.739 1.00 42.43 H new ATOM 0 HD3 PRO A 96 -12.037 20.061 0.859 1.00 42.43 H new ATOM 1133 N PHE A 97 -16.792 18.629 -1.244 1.00 71.12 N ATOM 1134 CA PHE A 97 -17.790 18.761 -2.300 1.00 22.14 C ATOM 1135 C PHE A 97 -19.089 18.060 -1.911 1.00 5.50 C ATOM 1136 O PHE A 97 -19.071 17.008 -1.274 1.00 23.21 O ATOM 1137 CB PHE A 97 -17.256 18.180 -3.611 1.00 32.35 C ATOM 1138 CG PHE A 97 -18.232 18.273 -4.749 1.00 2.13 C ATOM 1139 CD1 PHE A 97 -18.818 19.485 -5.078 1.00 70.53 C ATOM 1140 CD2 PHE A 97 -18.562 17.150 -5.489 1.00 73.33 C ATOM 1141 CE1 PHE A 97 -19.717 19.573 -6.125 1.00 23.14 C ATOM 1142 CE2 PHE A 97 -19.460 17.232 -6.537 1.00 50.10 C ATOM 1143 CZ PHE A 97 -20.037 18.446 -6.856 1.00 31.43 C ATOM 0 H PHE A 97 -16.766 17.711 -0.801 1.00 71.12 H new ATOM 0 HA PHE A 97 -17.998 19.822 -2.439 1.00 22.14 H new ATOM 0 HB2 PHE A 97 -16.340 18.703 -3.885 1.00 32.35 H new ATOM 0 HB3 PHE A 97 -16.991 17.134 -3.455 1.00 32.35 H new ATOM 0 HD1 PHE A 97 -18.570 20.370 -4.511 1.00 70.53 H new ATOM 0 HD2 PHE A 97 -18.113 16.199 -5.245 1.00 73.33 H new ATOM 0 HE1 PHE A 97 -20.169 20.523 -6.371 1.00 23.14 H new ATOM 0 HE2 PHE A 97 -19.710 16.348 -7.105 1.00 50.10 H new ATOM 0 HZ PHE A 97 -20.737 18.514 -7.676 1.00 31.43 H new ATOM 1153 N GLN A 98 -20.213 18.654 -2.299 1.00 62.43 N ATOM 1154 CA GLN A 98 -21.521 18.088 -1.990 1.00 64.55 C ATOM 1155 C GLN A 98 -21.643 17.779 -0.502 1.00 5.21 C ATOM 1156 O GLN A 98 -22.354 16.857 -0.105 1.00 3.11 O ATOM 1157 CB GLN A 98 -21.755 16.816 -2.808 1.00 32.03 C ATOM 1158 CG GLN A 98 -22.228 17.084 -4.227 1.00 61.25 C ATOM 1159 CD GLN A 98 -23.500 16.333 -4.570 1.00 42.44 C ATOM 1160 OE1 GLN A 98 -24.498 16.420 -3.854 1.00 43.22 O ATOM 1161 NE2 GLN A 98 -23.471 15.591 -5.671 1.00 21.22 N ATOM 0 H GLN A 98 -20.244 19.526 -2.827 1.00 62.43 H new ATOM 0 HA GLN A 98 -22.279 18.826 -2.252 1.00 64.55 H new ATOM 0 HB2 GLN A 98 -20.829 16.242 -2.845 1.00 32.03 H new ATOM 0 HB3 GLN A 98 -22.494 16.197 -2.298 1.00 32.03 H new ATOM 0 HG2 GLN A 98 -22.397 18.153 -4.354 1.00 61.25 H new ATOM 0 HG3 GLN A 98 -21.443 16.800 -4.927 1.00 61.25 H new ATOM 0 HE21 GLN A 98 -22.622 15.548 -6.235 1.00 21.22 H new ATOM 0 HE22 GLN A 98 -24.298 15.064 -5.953 1.00 21.22 H new ATOM 1170 N GLY A 99 -20.943 18.558 0.318 1.00 21.32 N ATOM 1171 CA GLY A 99 -20.986 18.351 1.754 1.00 13.20 C ATOM 1172 C GLY A 99 -19.624 18.499 2.402 1.00 31.24 C ATOM 1173 O GLY A 99 -19.357 19.489 3.081 1.00 4.22 O ATOM 0 H GLY A 99 -20.347 19.328 0.014 1.00 21.32 H new ATOM 0 HA2 GLY A 99 -21.677 19.066 2.201 1.00 13.20 H new ATOM 0 HA3 GLY A 99 -21.378 17.356 1.963 1.00 13.20 H new ATOM 1177 N ASN A 100 -18.761 17.510 2.194 1.00 32.43 N ATOM 1178 CA ASN A 100 -17.420 17.533 2.766 1.00 64.20 C ATOM 1179 C ASN A 100 -16.647 16.272 2.391 1.00 22.23 C ATOM 1180 O ASN A 100 -15.602 16.324 1.742 1.00 74.15 O ATOM 1181 CB ASN A 100 -17.494 17.666 4.288 1.00 23.44 C ATOM 1182 CG ASN A 100 -16.913 18.976 4.783 1.00 5.13 C ATOM 1183 OD1 ASN A 100 -17.015 20.005 4.115 1.00 13.14 O ATOM 1184 ND2 ASN A 100 -16.298 18.943 5.960 1.00 44.52 N ATOM 0 H ASN A 100 -18.966 16.683 1.634 1.00 32.43 H new ATOM 0 HA ASN A 100 -16.893 18.396 2.358 1.00 64.20 H new ATOM 0 HB2 ASN A 100 -18.534 17.589 4.606 1.00 23.44 H new ATOM 0 HB3 ASN A 100 -16.958 16.837 4.749 1.00 23.44 H new ATOM 0 HD21 ASN A 100 -15.887 19.793 6.344 1.00 44.52 H new ATOM 0 HD22 ASN A 100 -16.237 18.067 6.479 1.00 44.52 H new ATOM 1191 N PRO A 101 -17.171 15.110 2.810 1.00 53.34 N ATOM 1192 CA PRO A 101 -16.548 13.814 2.529 1.00 61.53 C ATOM 1193 C PRO A 101 -16.636 13.435 1.054 1.00 12.12 C ATOM 1194 O PRO A 101 -17.691 13.020 0.571 1.00 25.44 O ATOM 1195 CB PRO A 101 -17.362 12.837 3.381 1.00 23.32 C ATOM 1196 CG PRO A 101 -18.687 13.495 3.551 1.00 52.34 C ATOM 1197 CD PRO A 101 -18.413 14.973 3.588 1.00 14.45 C ATOM 0 HA PRO A 101 -15.482 13.816 2.758 1.00 61.53 H new ATOM 0 HB2 PRO A 101 -17.461 11.870 2.888 1.00 23.32 H new ATOM 0 HB3 PRO A 101 -16.883 12.657 4.343 1.00 23.32 H new ATOM 0 HG2 PRO A 101 -19.357 13.243 2.729 1.00 52.34 H new ATOM 0 HG3 PRO A 101 -19.172 13.165 4.470 1.00 52.34 H new ATOM 0 HD2 PRO A 101 -19.229 15.544 3.145 1.00 14.45 H new ATOM 0 HD3 PRO A 101 -18.289 15.333 4.609 1.00 14.45 H new ATOM 1205 N LEU A 102 -15.524 13.581 0.343 1.00 24.33 N ATOM 1206 CA LEU A 102 -15.475 13.253 -1.077 1.00 51.35 C ATOM 1207 C LEU A 102 -14.523 12.090 -1.336 1.00 35.40 C ATOM 1208 O LEU A 102 -13.377 12.099 -0.887 1.00 14.45 O ATOM 1209 CB LEU A 102 -15.037 14.475 -1.888 1.00 33.32 C ATOM 1210 CG LEU A 102 -15.703 14.648 -3.253 1.00 61.15 C ATOM 1211 CD1 LEU A 102 -14.968 15.695 -4.076 1.00 74.13 C ATOM 1212 CD2 LEU A 102 -15.750 13.320 -3.996 1.00 13.32 C ATOM 0 H LEU A 102 -14.644 13.925 0.727 1.00 24.33 H new ATOM 0 HA LEU A 102 -16.476 12.955 -1.390 1.00 51.35 H new ATOM 0 HB2 LEU A 102 -15.232 15.369 -1.295 1.00 33.32 H new ATOM 0 HB3 LEU A 102 -13.959 14.420 -2.037 1.00 33.32 H new ATOM 0 HG LEU A 102 -16.726 14.990 -3.096 1.00 61.15 H new ATOM 0 HD11 LEU A 102 -15.456 15.805 -5.044 1.00 74.13 H new ATOM 0 HD12 LEU A 102 -14.986 16.650 -3.550 1.00 74.13 H new ATOM 0 HD13 LEU A 102 -13.935 15.382 -4.224 1.00 74.13 H new ATOM 0 HD21 LEU A 102 -16.227 13.462 -4.966 1.00 13.32 H new ATOM 0 HD22 LEU A 102 -14.736 12.949 -4.142 1.00 13.32 H new ATOM 0 HD23 LEU A 102 -16.321 12.597 -3.413 1.00 13.32 H new ATOM 1224 N VAL A 103 -15.006 11.088 -2.065 1.00 43.32 N ATOM 1225 CA VAL A 103 -14.197 9.918 -2.387 1.00 12.41 C ATOM 1226 C VAL A 103 -14.131 9.693 -3.893 1.00 40.53 C ATOM 1227 O VAL A 103 -15.155 9.694 -4.577 1.00 13.23 O ATOM 1228 CB VAL A 103 -14.753 8.650 -1.713 1.00 70.45 C ATOM 1229 CG1 VAL A 103 -16.160 8.353 -2.211 1.00 3.42 C ATOM 1230 CG2 VAL A 103 -13.830 7.466 -1.963 1.00 52.44 C ATOM 0 H VAL A 103 -15.953 11.063 -2.443 1.00 43.32 H new ATOM 0 HA VAL A 103 -13.194 10.112 -2.008 1.00 12.41 H new ATOM 0 HB VAL A 103 -14.803 8.823 -0.638 1.00 70.45 H new ATOM 0 HG11 VAL A 103 -16.536 7.454 -1.724 1.00 3.42 H new ATOM 0 HG12 VAL A 103 -16.814 9.193 -1.977 1.00 3.42 H new ATOM 0 HG13 VAL A 103 -16.139 8.199 -3.290 1.00 3.42 H new ATOM 0 HG21 VAL A 103 -14.238 6.578 -1.480 1.00 52.44 H new ATOM 0 HG22 VAL A 103 -13.747 7.290 -3.035 1.00 52.44 H new ATOM 0 HG23 VAL A 103 -12.843 7.681 -1.553 1.00 52.44 H new ATOM 1240 N ILE A 104 -12.920 9.501 -4.404 1.00 62.15 N ATOM 1241 CA ILE A 104 -12.720 9.273 -5.830 1.00 73.13 C ATOM 1242 C ILE A 104 -11.881 8.024 -6.075 1.00 61.41 C ATOM 1243 O ILE A 104 -10.713 7.960 -5.688 1.00 55.11 O ATOM 1244 CB ILE A 104 -12.036 10.478 -6.503 1.00 24.44 C ATOM 1245 CG1 ILE A 104 -11.393 11.381 -5.448 1.00 24.50 C ATOM 1246 CG2 ILE A 104 -13.039 11.260 -7.337 1.00 33.35 C ATOM 1247 CD1 ILE A 104 -12.370 12.326 -4.785 1.00 44.22 C ATOM 0 H ILE A 104 -12.062 9.499 -3.852 1.00 62.15 H new ATOM 0 HA ILE A 104 -13.708 9.135 -6.269 1.00 73.13 H new ATOM 0 HB ILE A 104 -11.253 10.109 -7.165 1.00 24.44 H new ATOM 0 HG12 ILE A 104 -10.927 10.759 -4.684 1.00 24.50 H new ATOM 0 HG13 ILE A 104 -10.598 11.962 -5.915 1.00 24.50 H new ATOM 0 HG21 ILE A 104 -12.540 12.108 -7.806 1.00 33.35 H new ATOM 0 HG22 ILE A 104 -13.455 10.612 -8.109 1.00 33.35 H new ATOM 0 HG23 ILE A 104 -13.843 11.621 -6.695 1.00 33.35 H new ATOM 0 HD11 ILE A 104 -11.845 12.935 -4.049 1.00 44.22 H new ATOM 0 HD12 ILE A 104 -12.818 12.974 -5.539 1.00 44.22 H new ATOM 0 HD13 ILE A 104 -13.152 11.751 -4.289 1.00 44.22 H new ATOM 1259 N THR A 105 -12.483 7.030 -6.722 1.00 44.44 N ATOM 1260 CA THR A 105 -11.791 5.782 -7.020 1.00 52.52 C ATOM 1261 C THR A 105 -11.661 5.571 -8.524 1.00 51.32 C ATOM 1262 O THR A 105 -12.161 6.368 -9.319 1.00 2.24 O ATOM 1263 CB THR A 105 -12.522 4.574 -6.405 1.00 14.40 C ATOM 1264 OG1 THR A 105 -13.710 4.288 -7.152 1.00 12.31 O ATOM 1265 CG2 THR A 105 -12.883 4.843 -4.952 1.00 34.12 C ATOM 0 H THR A 105 -13.448 7.065 -7.049 1.00 44.44 H new ATOM 0 HA THR A 105 -10.797 5.859 -6.579 1.00 52.52 H new ATOM 0 HB THR A 105 -11.853 3.714 -6.444 1.00 14.40 H new ATOM 0 HG1 THR A 105 -14.070 5.120 -7.525 1.00 12.31 H new ATOM 0 HG21 THR A 105 -13.398 3.976 -4.539 1.00 34.12 H new ATOM 0 HG22 THR A 105 -11.974 5.032 -4.380 1.00 34.12 H new ATOM 0 HG23 THR A 105 -13.535 5.714 -4.894 1.00 34.12 H new ATOM 1273 N PHE A 106 -10.987 4.493 -8.910 1.00 35.55 N ATOM 1274 CA PHE A 106 -10.792 4.177 -10.320 1.00 24.34 C ATOM 1275 C PHE A 106 -11.822 3.158 -10.797 1.00 32.30 C ATOM 1276 O PHE A 106 -11.683 2.575 -11.873 1.00 11.45 O ATOM 1277 CB PHE A 106 -9.379 3.637 -10.552 1.00 2.12 C ATOM 1278 CG PHE A 106 -8.336 4.713 -10.654 1.00 64.14 C ATOM 1279 CD1 PHE A 106 -8.397 5.835 -9.844 1.00 50.32 C ATOM 1280 CD2 PHE A 106 -7.293 4.602 -11.560 1.00 74.45 C ATOM 1281 CE1 PHE A 106 -7.439 6.827 -9.937 1.00 62.13 C ATOM 1282 CE2 PHE A 106 -6.332 5.590 -11.658 1.00 21.13 C ATOM 1283 CZ PHE A 106 -6.404 6.704 -10.844 1.00 74.52 C ATOM 0 H PHE A 106 -10.566 3.823 -8.266 1.00 35.55 H new ATOM 0 HA PHE A 106 -10.922 5.095 -10.894 1.00 24.34 H new ATOM 0 HB2 PHE A 106 -9.117 2.964 -9.735 1.00 2.12 H new ATOM 0 HB3 PHE A 106 -9.370 3.046 -11.468 1.00 2.12 H new ATOM 0 HD1 PHE A 106 -9.202 5.936 -9.132 1.00 50.32 H new ATOM 0 HD2 PHE A 106 -7.231 3.732 -12.197 1.00 74.45 H new ATOM 0 HE1 PHE A 106 -7.499 7.698 -9.301 1.00 62.13 H new ATOM 0 HE2 PHE A 106 -5.526 5.492 -12.370 1.00 21.13 H new ATOM 0 HZ PHE A 106 -5.653 7.477 -10.916 1.00 74.52 H new