USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 536 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 39 MET CE :methyl -157:sc= 0 (180deg=-1.21) USER MOD Set 1.2: A 50 TYR OH : rot 0:sc= -0.7 USER MOD Set 2.1: A 13 TYR OH : rot -158:sc= 2.33 USER MOD Set 2.2: A 40 LYS NZ :NH3+ 157:sc= 1.19 (180deg=-0.287) USER MOD Set 3.1: A 35 TYR OH : rot 130:sc= 0 USER MOD Set 3.2: A 59 THR OG1 : rot 180:sc= -0.0986 USER MOD Set 3.3: A 63 GLN : amide:sc= 0 X(o=-0.099,f=-0.29) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.0602 K(o=-0.06,f=-1.3!) USER MOD Single : A 17 ASN : amide:sc= 1.2 K(o=1.2,f=-0.033) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 20 SER OG : rot -36:sc= 0.195 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0901 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 39:sc= 0.0486 USER MOD Single : A 32 ASN : amide:sc= -0.145 K(o=-0.15,f=-2.3!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -176:sc=-0.00171 (180deg=-0.0367) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.497 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.39 USER MOD Single : A 49 LYS NZ :NH3+ -126:sc= 0.368 (180deg=-0.212) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.038 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.49 K(o=-0.49,f=-7.5!) USER MOD Single : A 69 TYR OH : rot -92:sc= 0.94 USER MOD Single : A 70 GLN : amide:sc= 1.16 K(o=1.2,f=-0.75) USER MOD Single : A 71 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00793) USER MOD Single : A 72 LYS NZ :NH3+ 163:sc= -0.0226 (180deg=-0.26) USER MOD ----------------------------------------------------------------- ATOM 95 N ASN A 7 13.082 7.381 0.910 1.00 0.00 N ATOM 96 CA ASN A 7 12.184 7.372 2.067 1.00 0.00 C ATOM 97 C ASN A 7 10.733 7.161 1.635 1.00 0.00 C ATOM 98 O ASN A 7 9.810 7.386 2.415 1.00 0.00 O ATOM 99 CB ASN A 7 12.279 8.687 2.850 1.00 0.00 C ATOM 100 CG ASN A 7 13.670 8.991 3.372 1.00 0.00 C ATOM 101 OD1 ASN A 7 14.482 8.092 3.605 1.00 0.00 O ATOM 102 ND2 ASN A 7 13.949 10.271 3.577 1.00 0.00 N ATOM 0 HA ASN A 7 12.496 6.546 2.706 1.00 0.00 H new ATOM 0 HB2 ASN A 7 11.956 9.506 2.207 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.586 8.649 3.691 1.00 0.00 H new ATOM 0 HD21 ASN A 7 14.863 10.542 3.940 1.00 0.00 H new ATOM 0 HD22 ASN A 7 13.250 10.985 3.372 1.00 0.00 H new ATOM 109 N GLN A 8 10.538 6.736 0.392 1.00 0.00 N ATOM 110 CA GLN A 8 9.195 6.547 -0.140 1.00 0.00 C ATOM 111 C GLN A 8 8.718 5.113 0.019 1.00 0.00 C ATOM 112 O GLN A 8 9.358 4.172 -0.448 1.00 0.00 O ATOM 113 CB GLN A 8 9.133 6.931 -1.617 1.00 0.00 C ATOM 114 CG GLN A 8 9.285 8.416 -1.873 1.00 0.00 C ATOM 115 CD GLN A 8 9.139 8.766 -3.339 1.00 0.00 C ATOM 116 OE1 GLN A 8 9.467 7.972 -4.221 1.00 0.00 O ATOM 117 NE2 GLN A 8 8.655 9.962 -3.612 1.00 0.00 N ATOM 0 H GLN A 8 11.289 6.517 -0.263 1.00 0.00 H new ATOM 0 HA GLN A 8 8.538 7.199 0.436 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.917 6.398 -2.154 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.181 6.597 -2.029 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.537 8.960 -1.296 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.262 8.745 -1.519 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.394 10.592 -2.853 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.541 10.257 -4.582 1.00 0.00 H new ATOM 126 N VAL A 9 7.591 4.962 0.686 1.00 0.00 N ATOM 127 CA VAL A 9 6.911 3.684 0.760 1.00 0.00 C ATOM 128 C VAL A 9 5.779 3.651 -0.259 1.00 0.00 C ATOM 129 O VAL A 9 4.894 4.508 -0.246 1.00 0.00 O ATOM 130 CB VAL A 9 6.343 3.425 2.172 1.00 0.00 C ATOM 131 CG1 VAL A 9 5.557 2.124 2.211 1.00 0.00 C ATOM 132 CG2 VAL A 9 7.464 3.397 3.198 1.00 0.00 C ATOM 0 H VAL A 9 7.123 5.716 1.189 1.00 0.00 H new ATOM 0 HA VAL A 9 7.637 2.901 0.540 1.00 0.00 H new ATOM 0 HB VAL A 9 5.663 4.241 2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.167 1.964 3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.728 2.178 1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.211 1.295 1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.047 3.213 4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.167 2.602 2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.984 4.355 3.195 1.00 0.00 H new ATOM 142 N THR A 10 5.820 2.672 -1.144 1.00 0.00 N ATOM 143 CA THR A 10 4.816 2.555 -2.185 1.00 0.00 C ATOM 144 C THR A 10 3.645 1.706 -1.701 1.00 0.00 C ATOM 145 O THR A 10 3.804 0.527 -1.385 1.00 0.00 O ATOM 146 CB THR A 10 5.416 1.928 -3.458 1.00 0.00 C ATOM 147 OG1 THR A 10 6.597 2.651 -3.842 1.00 0.00 O ATOM 148 CG2 THR A 10 4.412 1.947 -4.604 1.00 0.00 C ATOM 0 H THR A 10 6.537 1.947 -1.163 1.00 0.00 H new ATOM 0 HA THR A 10 4.460 3.558 -2.422 1.00 0.00 H new ATOM 0 HB THR A 10 5.671 0.891 -3.241 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.978 2.249 -4.651 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.862 1.498 -5.490 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.526 1.380 -4.321 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.129 2.977 -4.823 1.00 0.00 H new ATOM 156 N VAL A 11 2.479 2.325 -1.617 1.00 0.00 N ATOM 157 CA VAL A 11 1.277 1.625 -1.189 1.00 0.00 C ATOM 158 C VAL A 11 0.540 1.072 -2.400 1.00 0.00 C ATOM 159 O VAL A 11 0.064 1.828 -3.247 1.00 0.00 O ATOM 160 CB VAL A 11 0.333 2.552 -0.394 1.00 0.00 C ATOM 161 CG1 VAL A 11 -0.893 1.793 0.095 1.00 0.00 C ATOM 162 CG2 VAL A 11 1.065 3.190 0.775 1.00 0.00 C ATOM 0 H VAL A 11 2.338 3.310 -1.839 1.00 0.00 H new ATOM 0 HA VAL A 11 1.584 0.808 -0.535 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.003 3.343 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.541 2.469 0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.437 1.391 -0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.580 0.975 0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.381 3.839 1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.436 2.411 1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.904 3.778 0.402 1.00 0.00 H new ATOM 172 N ASN A 12 0.460 -0.249 -2.478 1.00 0.00 N ATOM 173 CA ASN A 12 -0.193 -0.904 -3.601 1.00 0.00 C ATOM 174 C ASN A 12 -1.529 -1.494 -3.177 1.00 0.00 C ATOM 175 O ASN A 12 -1.583 -2.421 -2.368 1.00 0.00 O ATOM 176 CB ASN A 12 0.686 -2.015 -4.193 1.00 0.00 C ATOM 177 CG ASN A 12 1.868 -1.487 -4.984 1.00 0.00 C ATOM 178 OD1 ASN A 12 1.838 -0.371 -5.502 1.00 0.00 O ATOM 179 ND2 ASN A 12 2.903 -2.304 -5.116 1.00 0.00 N ATOM 0 H ASN A 12 0.839 -0.887 -1.778 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.357 -0.144 -4.365 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.052 -2.649 -3.385 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.076 -2.645 -4.841 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.714 -2.015 -5.663 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.889 -3.221 -4.670 1.00 0.00 H new ATOM 186 N TYR A 13 -2.602 -0.933 -3.709 1.00 0.00 N ATOM 187 CA TYR A 13 -3.928 -1.498 -3.524 1.00 0.00 C ATOM 188 C TYR A 13 -4.110 -2.645 -4.511 1.00 0.00 C ATOM 189 O TYR A 13 -4.304 -2.418 -5.708 1.00 0.00 O ATOM 190 CB TYR A 13 -5.000 -0.433 -3.743 1.00 0.00 C ATOM 191 CG TYR A 13 -4.893 0.755 -2.809 1.00 0.00 C ATOM 192 CD1 TYR A 13 -4.121 1.862 -3.143 1.00 0.00 C ATOM 193 CD2 TYR A 13 -5.576 0.771 -1.602 1.00 0.00 C ATOM 194 CE1 TYR A 13 -4.032 2.950 -2.296 1.00 0.00 C ATOM 195 CE2 TYR A 13 -5.495 1.858 -0.752 1.00 0.00 C ATOM 196 CZ TYR A 13 -4.722 2.943 -1.102 1.00 0.00 C ATOM 197 OH TYR A 13 -4.644 4.027 -0.256 1.00 0.00 O ATOM 0 H TYR A 13 -2.580 -0.084 -4.274 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.029 -1.869 -2.504 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.940 -0.079 -4.772 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.982 -0.891 -3.620 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.582 1.872 -4.079 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.181 -0.079 -1.322 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.425 3.801 -2.568 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.036 1.857 0.183 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.876 3.749 0.654 1.00 0.00 H new ATOM 207 N LEU A 14 -4.032 -3.866 -4.013 1.00 0.00 N ATOM 208 CA LEU A 14 -3.966 -5.032 -4.875 1.00 0.00 C ATOM 209 C LEU A 14 -5.236 -5.862 -4.825 1.00 0.00 C ATOM 210 O LEU A 14 -5.894 -5.959 -3.794 1.00 0.00 O ATOM 211 CB LEU A 14 -2.779 -5.910 -4.476 1.00 0.00 C ATOM 212 CG LEU A 14 -1.411 -5.250 -4.618 1.00 0.00 C ATOM 213 CD1 LEU A 14 -0.315 -6.193 -4.153 1.00 0.00 C ATOM 214 CD2 LEU A 14 -1.180 -4.829 -6.059 1.00 0.00 C ATOM 0 H LEU A 14 -4.013 -4.076 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.844 -4.667 -5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.909 -6.222 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.794 -6.814 -5.085 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.385 -4.361 -3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.654 -5.706 -4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.477 -6.451 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.335 -7.100 -4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.201 -4.359 -6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.222 -5.706 -6.705 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.951 -4.120 -6.359 1.00 0.00 H new ATOM 226 N ASP A 15 -5.573 -6.435 -5.966 1.00 0.00 N ATOM 227 CA ASP A 15 -6.607 -7.453 -6.050 1.00 0.00 C ATOM 228 C ASP A 15 -6.009 -8.811 -5.662 1.00 0.00 C ATOM 229 O ASP A 15 -4.791 -8.939 -5.520 1.00 0.00 O ATOM 230 CB ASP A 15 -7.176 -7.494 -7.480 1.00 0.00 C ATOM 231 CG ASP A 15 -8.327 -8.474 -7.646 1.00 0.00 C ATOM 232 OD1 ASP A 15 -9.484 -8.092 -7.383 1.00 0.00 O ATOM 233 OD2 ASP A 15 -8.073 -9.635 -8.033 1.00 0.00 O ATOM 0 H ASP A 15 -5.139 -6.209 -6.861 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.420 -7.218 -5.363 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.516 -6.496 -7.756 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.378 -7.762 -8.173 1.00 0.00 H new ATOM 238 N GLU A 16 -6.858 -9.815 -5.514 1.00 0.00 N ATOM 239 CA GLU A 16 -6.430 -11.155 -5.124 1.00 0.00 C ATOM 240 C GLU A 16 -5.676 -11.802 -6.277 1.00 0.00 C ATOM 241 O GLU A 16 -4.734 -12.574 -6.079 1.00 0.00 O ATOM 242 CB GLU A 16 -7.637 -12.024 -4.754 1.00 0.00 C ATOM 243 CG GLU A 16 -7.254 -13.355 -4.125 1.00 0.00 C ATOM 244 CD GLU A 16 -8.307 -14.429 -4.318 1.00 0.00 C ATOM 245 OE1 GLU A 16 -9.353 -14.389 -3.639 1.00 0.00 O ATOM 246 OE2 GLU A 16 -8.080 -15.340 -5.138 1.00 0.00 O ATOM 0 H GLU A 16 -7.864 -9.727 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.779 -11.073 -4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.273 -11.473 -4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.229 -12.211 -5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.313 -13.696 -4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.083 -13.210 -3.058 1.00 0.00 H new ATOM 253 N ASN A 17 -6.095 -11.454 -7.488 1.00 0.00 N ATOM 254 CA ASN A 17 -5.443 -11.923 -8.703 1.00 0.00 C ATOM 255 C ASN A 17 -4.293 -10.990 -9.036 1.00 0.00 C ATOM 256 O ASN A 17 -3.727 -11.032 -10.128 1.00 0.00 O ATOM 257 CB ASN A 17 -6.440 -11.951 -9.866 1.00 0.00 C ATOM 258 CG ASN A 17 -7.682 -12.768 -9.559 1.00 0.00 C ATOM 259 OD1 ASN A 17 -7.726 -13.975 -9.808 1.00 0.00 O ATOM 260 ND2 ASN A 17 -8.700 -12.118 -9.016 1.00 0.00 N ATOM 0 H ASN A 17 -6.893 -10.841 -7.654 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.068 -12.934 -8.544 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.734 -10.930 -10.111 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.950 -12.362 -10.749 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.560 -12.617 -8.788 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.624 -11.119 -8.825 1.00 0.00 H new ATOM 267 N ASN A 18 -3.972 -10.149 -8.058 1.00 0.00 N ATOM 268 CA ASN A 18 -2.953 -9.116 -8.169 1.00 0.00 C ATOM 269 C ASN A 18 -3.258 -8.134 -9.293 1.00 0.00 C ATOM 270 O ASN A 18 -2.970 -8.382 -10.466 1.00 0.00 O ATOM 271 CB ASN A 18 -1.543 -9.698 -8.348 1.00 0.00 C ATOM 272 CG ASN A 18 -0.894 -10.110 -7.038 1.00 0.00 C ATOM 273 OD1 ASN A 18 -0.263 -9.296 -6.361 1.00 0.00 O ATOM 274 ND2 ASN A 18 -1.022 -11.378 -6.682 1.00 0.00 N ATOM 0 H ASN A 18 -4.426 -10.169 -7.145 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.974 -8.576 -7.223 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.596 -10.564 -9.008 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.912 -8.959 -8.842 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.590 -11.712 -5.820 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.552 -12.022 -7.269 1.00 0.00 H new ATOM 281 N THR A 19 -3.866 -7.025 -8.920 1.00 0.00 N ATOM 282 CA THR A 19 -4.181 -5.956 -9.852 1.00 0.00 C ATOM 283 C THR A 19 -4.263 -4.638 -9.093 1.00 0.00 C ATOM 284 O THR A 19 -4.783 -4.599 -7.980 1.00 0.00 O ATOM 285 CB THR A 19 -5.516 -6.229 -10.583 1.00 0.00 C ATOM 286 OG1 THR A 19 -5.444 -7.491 -11.255 1.00 0.00 O ATOM 287 CG2 THR A 19 -5.829 -5.134 -11.595 1.00 0.00 C ATOM 0 H THR A 19 -4.157 -6.838 -7.960 1.00 0.00 H new ATOM 0 HA THR A 19 -3.393 -5.903 -10.603 1.00 0.00 H new ATOM 0 HB THR A 19 -6.313 -6.244 -9.839 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.291 -7.664 -11.717 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.774 -5.356 -12.091 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.905 -4.175 -11.082 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.032 -5.086 -12.337 1.00 0.00 H new ATOM 295 N SER A 20 -3.721 -3.578 -9.675 1.00 0.00 N ATOM 296 CA SER A 20 -3.762 -2.267 -9.054 1.00 0.00 C ATOM 297 C SER A 20 -5.185 -1.716 -9.124 1.00 0.00 C ATOM 298 O SER A 20 -5.586 -1.117 -10.120 1.00 0.00 O ATOM 299 CB SER A 20 -2.776 -1.321 -9.754 1.00 0.00 C ATOM 300 OG SER A 20 -2.498 -0.167 -8.973 1.00 0.00 O ATOM 0 H SER A 20 -3.247 -3.603 -10.578 1.00 0.00 H new ATOM 0 HA SER A 20 -3.468 -2.350 -8.008 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.847 -1.853 -9.958 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.187 -1.017 -10.716 1.00 0.00 H new ATOM 0 HG SER A 20 -3.310 0.110 -8.499 1.00 0.00 H new ATOM 306 N ILE A 21 -5.954 -1.955 -8.067 1.00 0.00 N ATOM 307 CA ILE A 21 -7.350 -1.542 -8.035 1.00 0.00 C ATOM 308 C ILE A 21 -7.451 -0.035 -7.810 1.00 0.00 C ATOM 309 O ILE A 21 -8.403 0.613 -8.247 1.00 0.00 O ATOM 310 CB ILE A 21 -8.144 -2.315 -6.947 1.00 0.00 C ATOM 311 CG1 ILE A 21 -9.642 -2.038 -7.069 1.00 0.00 C ATOM 312 CG2 ILE A 21 -7.653 -1.966 -5.550 1.00 0.00 C ATOM 313 CD1 ILE A 21 -10.256 -2.573 -8.345 1.00 0.00 C ATOM 0 H ILE A 21 -5.634 -2.431 -7.224 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.796 -1.782 -9.000 1.00 0.00 H new ATOM 0 HB ILE A 21 -7.973 -3.379 -7.108 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.155 -2.481 -6.215 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.809 -0.962 -7.019 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.229 -2.524 -4.812 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.598 -2.226 -5.459 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.779 -0.897 -5.376 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.321 -2.339 -8.362 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.769 -2.112 -9.204 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.121 -3.654 -8.389 1.00 0.00 H new ATOM 325 N ALA A 22 -6.449 0.519 -7.146 1.00 0.00 N ATOM 326 CA ALA A 22 -6.364 1.953 -6.928 1.00 0.00 C ATOM 327 C ALA A 22 -4.941 2.424 -7.200 1.00 0.00 C ATOM 328 O ALA A 22 -4.005 1.624 -7.125 1.00 0.00 O ATOM 329 CB ALA A 22 -6.793 2.297 -5.507 1.00 0.00 C ATOM 0 H ALA A 22 -5.675 -0.011 -6.745 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.038 2.466 -7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.725 3.374 -5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.822 1.973 -5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.140 1.790 -4.797 1.00 0.00 H new ATOM 335 N PRO A 23 -4.762 3.710 -7.555 1.00 0.00 N ATOM 336 CA PRO A 23 -3.441 4.290 -7.836 1.00 0.00 C ATOM 337 C PRO A 23 -2.441 4.071 -6.704 1.00 0.00 C ATOM 338 O PRO A 23 -2.779 4.210 -5.524 1.00 0.00 O ATOM 339 CB PRO A 23 -3.734 5.783 -8.002 1.00 0.00 C ATOM 340 CG PRO A 23 -5.157 5.842 -8.430 1.00 0.00 C ATOM 341 CD PRO A 23 -5.842 4.700 -7.731 1.00 0.00 C ATOM 0 HA PRO A 23 -2.981 3.827 -8.709 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.578 6.323 -7.068 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.078 6.235 -8.745 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.609 6.796 -8.156 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.244 5.747 -9.512 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.264 5.009 -6.775 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.662 4.298 -8.326 1.00 0.00 H new ATOM 349 N SER A 24 -1.215 3.727 -7.077 1.00 0.00 N ATOM 350 CA SER A 24 -0.148 3.492 -6.119 1.00 0.00 C ATOM 351 C SER A 24 0.292 4.797 -5.459 1.00 0.00 C ATOM 352 O SER A 24 0.514 5.807 -6.133 1.00 0.00 O ATOM 353 CB SER A 24 1.025 2.814 -6.827 1.00 0.00 C ATOM 354 OG SER A 24 1.199 3.334 -8.140 1.00 0.00 O ATOM 0 H SER A 24 -0.935 3.604 -8.050 1.00 0.00 H new ATOM 0 HA SER A 24 -0.515 2.837 -5.329 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.938 2.962 -6.250 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.851 1.739 -6.878 1.00 0.00 H new ATOM 0 HG SER A 24 1.956 2.886 -8.572 1.00 0.00 H new ATOM 360 N LEU A 25 0.407 4.774 -4.140 1.00 0.00 N ATOM 361 CA LEU A 25 0.755 5.969 -3.387 1.00 0.00 C ATOM 362 C LEU A 25 2.242 6.066 -3.130 1.00 0.00 C ATOM 363 O LEU A 25 2.966 5.071 -3.199 1.00 0.00 O ATOM 364 CB LEU A 25 0.060 5.986 -2.034 1.00 0.00 C ATOM 365 CG LEU A 25 -1.446 6.174 -2.052 1.00 0.00 C ATOM 366 CD1 LEU A 25 -1.933 6.303 -0.626 1.00 0.00 C ATOM 367 CD2 LEU A 25 -1.827 7.398 -2.870 1.00 0.00 C ATOM 0 H LEU A 25 0.264 3.941 -3.569 1.00 0.00 H new ATOM 0 HA LEU A 25 0.431 6.811 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.281 5.048 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.497 6.785 -1.435 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.919 5.311 -2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.014 6.439 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.679 5.400 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.457 7.164 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.911 7.513 -2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.367 8.285 -2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.476 7.275 -3.895 1.00 0.00 H new ATOM 379 N TYR A 26 2.682 7.272 -2.801 1.00 0.00 N ATOM 380 CA TYR A 26 4.033 7.476 -2.328 1.00 0.00 C ATOM 381 C TYR A 26 4.000 8.041 -0.916 1.00 0.00 C ATOM 382 O TYR A 26 3.639 9.201 -0.718 1.00 0.00 O ATOM 383 CB TYR A 26 4.822 8.457 -3.209 1.00 0.00 C ATOM 384 CG TYR A 26 4.764 8.220 -4.704 1.00 0.00 C ATOM 385 CD1 TYR A 26 5.519 7.224 -5.313 1.00 0.00 C ATOM 386 CD2 TYR A 26 3.984 9.039 -5.512 1.00 0.00 C ATOM 387 CE1 TYR A 26 5.498 7.053 -6.687 1.00 0.00 C ATOM 388 CE2 TYR A 26 3.951 8.868 -6.881 1.00 0.00 C ATOM 389 CZ TYR A 26 4.708 7.878 -7.465 1.00 0.00 C ATOM 390 OH TYR A 26 4.693 7.734 -8.835 1.00 0.00 O ATOM 0 H TYR A 26 2.119 8.121 -2.855 1.00 0.00 H new ATOM 0 HA TYR A 26 4.528 6.505 -2.359 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.457 9.464 -3.009 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.867 8.429 -2.899 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.131 6.574 -4.705 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.394 9.823 -5.061 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.095 6.280 -7.148 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.333 9.509 -7.492 1.00 0.00 H new ATOM 0 HH TYR A 26 4.083 8.394 -9.227 1.00 0.00 H new ATOM 400 N LEU A 27 4.347 7.228 0.065 1.00 0.00 N ATOM 401 CA LEU A 27 4.513 7.726 1.419 1.00 0.00 C ATOM 402 C LEU A 27 5.945 8.185 1.616 1.00 0.00 C ATOM 403 O LEU A 27 6.852 7.373 1.758 1.00 0.00 O ATOM 404 CB LEU A 27 4.140 6.667 2.457 1.00 0.00 C ATOM 405 CG LEU A 27 2.640 6.435 2.628 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.381 5.310 3.618 1.00 0.00 C ATOM 407 CD2 LEU A 27 1.950 7.713 3.085 1.00 0.00 C ATOM 0 H LEU A 27 4.518 6.229 -0.048 1.00 0.00 H new ATOM 0 HA LEU A 27 3.838 8.570 1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.609 5.724 2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.560 6.959 3.420 1.00 0.00 H new ATOM 0 HG LEU A 27 2.227 6.145 1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.307 5.160 3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.841 4.391 3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.810 5.571 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.882 7.528 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.369 8.032 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.104 8.495 2.342 1.00 0.00 H new ATOM 419 N SER A 28 6.139 9.486 1.583 1.00 0.00 N ATOM 420 CA SER A 28 7.464 10.065 1.731 1.00 0.00 C ATOM 421 C SER A 28 7.539 10.909 2.998 1.00 0.00 C ATOM 422 O SER A 28 6.762 11.848 3.179 1.00 0.00 O ATOM 423 CB SER A 28 7.814 10.904 0.497 1.00 0.00 C ATOM 424 OG SER A 28 6.754 11.785 0.143 1.00 0.00 O ATOM 0 H SER A 28 5.393 10.170 1.454 1.00 0.00 H new ATOM 0 HA SER A 28 8.192 9.258 1.818 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.717 11.482 0.694 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.034 10.244 -0.342 1.00 0.00 H new ATOM 0 HG SER A 28 6.343 12.146 0.956 1.00 0.00 H new ATOM 430 N GLY A 29 8.464 10.561 3.875 1.00 0.00 N ATOM 431 CA GLY A 29 8.609 11.285 5.117 1.00 0.00 C ATOM 432 C GLY A 29 9.993 11.146 5.700 1.00 0.00 C ATOM 433 O GLY A 29 10.972 10.988 4.965 1.00 0.00 O ATOM 0 H GLY A 29 9.118 9.789 3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.392 12.340 4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.876 10.920 5.836 1.00 0.00 H new ATOM 437 N LEU A 30 10.081 11.201 7.017 1.00 0.00 N ATOM 438 CA LEU A 30 11.352 11.051 7.702 1.00 0.00 C ATOM 439 C LEU A 30 11.700 9.576 7.840 1.00 0.00 C ATOM 440 O LEU A 30 10.809 8.729 7.864 1.00 0.00 O ATOM 441 CB LEU A 30 11.292 11.704 9.084 1.00 0.00 C ATOM 442 CG LEU A 30 10.869 13.172 9.091 1.00 0.00 C ATOM 443 CD1 LEU A 30 10.722 13.672 10.518 1.00 0.00 C ATOM 444 CD2 LEU A 30 11.873 14.023 8.329 1.00 0.00 C ATOM 0 H LEU A 30 9.284 11.349 7.636 1.00 0.00 H new ATOM 0 HA LEU A 30 12.125 11.546 7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.597 11.139 9.705 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.274 11.623 9.550 1.00 0.00 H new ATOM 0 HG LEU A 30 9.903 13.255 8.593 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.420 14.719 10.507 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.965 13.082 11.034 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.675 13.574 11.038 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.554 15.065 8.346 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.853 13.936 8.798 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.933 13.678 7.297 1.00 0.00 H new ATOM 456 N PHE A 31 12.992 9.276 7.924 1.00 0.00 N ATOM 457 CA PHE A 31 13.452 7.901 8.092 1.00 0.00 C ATOM 458 C PHE A 31 12.839 7.289 9.345 1.00 0.00 C ATOM 459 O PHE A 31 12.314 6.179 9.321 1.00 0.00 O ATOM 460 CB PHE A 31 14.984 7.865 8.175 1.00 0.00 C ATOM 461 CG PHE A 31 15.558 6.496 8.433 1.00 0.00 C ATOM 462 CD1 PHE A 31 15.818 5.630 7.385 1.00 0.00 C ATOM 463 CD2 PHE A 31 15.839 6.078 9.725 1.00 0.00 C ATOM 464 CE1 PHE A 31 16.346 4.375 7.620 1.00 0.00 C ATOM 465 CE2 PHE A 31 16.368 4.824 9.965 1.00 0.00 C ATOM 466 CZ PHE A 31 16.620 3.972 8.911 1.00 0.00 C ATOM 0 H PHE A 31 13.741 9.967 7.878 1.00 0.00 H new ATOM 0 HA PHE A 31 13.134 7.316 7.229 1.00 0.00 H new ATOM 0 HB2 PHE A 31 15.396 8.249 7.242 1.00 0.00 H new ATOM 0 HB3 PHE A 31 15.309 8.538 8.968 1.00 0.00 H new ATOM 0 HD1 PHE A 31 15.606 5.939 6.372 1.00 0.00 H new ATOM 0 HD2 PHE A 31 15.642 6.741 10.554 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.544 3.709 6.793 1.00 0.00 H new ATOM 0 HE2 PHE A 31 16.584 4.512 10.976 1.00 0.00 H new ATOM 0 HZ PHE A 31 17.031 2.991 9.095 1.00 0.00 H new ATOM 476 N ASN A 32 12.898 8.032 10.431 1.00 0.00 N ATOM 477 CA ASN A 32 12.339 7.584 11.691 1.00 0.00 C ATOM 478 C ASN A 32 11.013 8.288 11.938 1.00 0.00 C ATOM 479 O ASN A 32 10.925 9.218 12.742 1.00 0.00 O ATOM 480 CB ASN A 32 13.322 7.858 12.835 1.00 0.00 C ATOM 481 CG ASN A 32 12.968 7.133 14.122 1.00 0.00 C ATOM 482 OD1 ASN A 32 11.798 6.913 14.440 1.00 0.00 O ATOM 483 ND2 ASN A 32 13.989 6.755 14.876 1.00 0.00 N ATOM 0 H ASN A 32 13.330 8.955 10.466 1.00 0.00 H new ATOM 0 HA ASN A 32 12.163 6.509 11.647 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.323 7.561 12.523 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.354 8.930 13.028 1.00 0.00 H new ATOM 0 HD21 ASN A 32 13.820 6.264 15.754 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.944 6.955 14.579 1.00 0.00 H new ATOM 490 N GLU A 33 9.998 7.872 11.200 1.00 0.00 N ATOM 491 CA GLU A 33 8.667 8.440 11.340 1.00 0.00 C ATOM 492 C GLU A 33 7.623 7.334 11.322 1.00 0.00 C ATOM 493 O GLU A 33 7.545 6.563 10.365 1.00 0.00 O ATOM 494 CB GLU A 33 8.387 9.432 10.206 1.00 0.00 C ATOM 495 CG GLU A 33 7.035 10.121 10.316 1.00 0.00 C ATOM 496 CD GLU A 33 6.662 10.882 9.060 1.00 0.00 C ATOM 497 OE1 GLU A 33 7.459 11.737 8.614 1.00 0.00 O ATOM 498 OE2 GLU A 33 5.566 10.630 8.511 1.00 0.00 O ATOM 0 H GLU A 33 10.071 7.139 10.494 1.00 0.00 H new ATOM 0 HA GLU A 33 8.615 8.968 12.292 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.171 10.189 10.196 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.440 8.905 9.253 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.268 9.375 10.525 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.050 10.809 11.161 1.00 0.00 H new ATOM 505 N ALA A 34 6.848 7.236 12.391 1.00 0.00 N ATOM 506 CA ALA A 34 5.743 6.294 12.441 1.00 0.00 C ATOM 507 C ALA A 34 4.616 6.771 11.534 1.00 0.00 C ATOM 508 O ALA A 34 3.987 7.799 11.799 1.00 0.00 O ATOM 509 CB ALA A 34 5.250 6.124 13.870 1.00 0.00 C ATOM 0 H ALA A 34 6.964 7.797 13.235 1.00 0.00 H new ATOM 0 HA ALA A 34 6.090 5.323 12.087 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.422 5.415 13.887 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.062 5.749 14.493 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.912 7.086 14.255 1.00 0.00 H new ATOM 515 N TYR A 35 4.372 6.041 10.459 1.00 0.00 N ATOM 516 CA TYR A 35 3.396 6.463 9.468 1.00 0.00 C ATOM 517 C TYR A 35 2.111 5.655 9.572 1.00 0.00 C ATOM 518 O TYR A 35 2.060 4.618 10.233 1.00 0.00 O ATOM 519 CB TYR A 35 3.974 6.345 8.053 1.00 0.00 C ATOM 520 CG TYR A 35 4.296 4.928 7.620 1.00 0.00 C ATOM 521 CD1 TYR A 35 5.532 4.355 7.895 1.00 0.00 C ATOM 522 CD2 TYR A 35 3.366 4.170 6.919 1.00 0.00 C ATOM 523 CE1 TYR A 35 5.829 3.068 7.489 1.00 0.00 C ATOM 524 CE2 TYR A 35 3.654 2.882 6.513 1.00 0.00 C ATOM 525 CZ TYR A 35 4.886 2.336 6.797 1.00 0.00 C ATOM 526 OH TYR A 35 5.173 1.055 6.388 1.00 0.00 O ATOM 0 H TYR A 35 4.834 5.156 10.250 1.00 0.00 H new ATOM 0 HA TYR A 35 3.159 7.508 9.669 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.263 6.774 7.347 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.883 6.944 7.994 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.273 4.925 8.435 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.401 4.596 6.688 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.794 2.637 7.712 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.916 2.305 5.975 1.00 0.00 H new ATOM 0 HH TYR A 35 4.448 0.454 6.661 1.00 0.00 H new ATOM 536 N ASN A 36 1.074 6.153 8.915 1.00 0.00 N ATOM 537 CA ASN A 36 -0.200 5.458 8.836 1.00 0.00 C ATOM 538 C ASN A 36 -0.514 5.145 7.381 1.00 0.00 C ATOM 539 O ASN A 36 -0.081 5.868 6.481 1.00 0.00 O ATOM 540 CB ASN A 36 -1.324 6.304 9.445 1.00 0.00 C ATOM 541 CG ASN A 36 -1.144 6.543 10.933 1.00 0.00 C ATOM 542 OD1 ASN A 36 -1.596 5.750 11.761 1.00 0.00 O ATOM 543 ND2 ASN A 36 -0.500 7.643 11.289 1.00 0.00 N ATOM 0 H ASN A 36 1.093 7.047 8.424 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.129 4.531 9.404 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.369 7.264 8.931 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.279 5.807 9.275 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.364 7.857 12.277 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.139 8.276 10.575 1.00 0.00 H new ATOM 550 N VAL A 37 -1.255 4.074 7.147 1.00 0.00 N ATOM 551 CA VAL A 37 -1.569 3.657 5.789 1.00 0.00 C ATOM 552 C VAL A 37 -3.056 3.828 5.492 1.00 0.00 C ATOM 553 O VAL A 37 -3.909 3.259 6.180 1.00 0.00 O ATOM 554 CB VAL A 37 -1.163 2.188 5.537 1.00 0.00 C ATOM 555 CG1 VAL A 37 -1.475 1.777 4.105 1.00 0.00 C ATOM 556 CG2 VAL A 37 0.312 1.982 5.841 1.00 0.00 C ATOM 0 H VAL A 37 -1.649 3.479 7.876 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.994 4.298 5.121 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.746 1.556 6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.180 0.739 3.952 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.544 1.881 3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.924 2.416 3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.579 0.941 5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.910 2.629 5.199 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.506 2.228 6.885 1.00 0.00 H new ATOM 566 N PRO A 38 -3.380 4.642 4.479 1.00 0.00 N ATOM 567 CA PRO A 38 -4.754 4.824 4.006 1.00 0.00 C ATOM 568 C PRO A 38 -5.271 3.572 3.302 1.00 0.00 C ATOM 569 O PRO A 38 -4.716 3.148 2.285 1.00 0.00 O ATOM 570 CB PRO A 38 -4.650 5.995 3.016 1.00 0.00 C ATOM 571 CG PRO A 38 -3.298 6.586 3.232 1.00 0.00 C ATOM 572 CD PRO A 38 -2.433 5.464 3.718 1.00 0.00 C ATOM 0 HA PRO A 38 -5.450 5.014 4.823 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.767 5.651 1.988 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.433 6.732 3.197 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.905 7.010 2.308 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.337 7.394 3.963 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.986 4.910 2.893 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.614 5.823 4.342 1.00 0.00 H new ATOM 580 N MET A 39 -6.326 2.981 3.849 1.00 0.00 N ATOM 581 CA MET A 39 -6.845 1.713 3.346 1.00 0.00 C ATOM 582 C MET A 39 -7.854 1.914 2.218 1.00 0.00 C ATOM 583 O MET A 39 -7.858 1.159 1.244 1.00 0.00 O ATOM 584 CB MET A 39 -7.503 0.920 4.478 1.00 0.00 C ATOM 585 CG MET A 39 -6.553 0.554 5.606 1.00 0.00 C ATOM 586 SD MET A 39 -7.367 -0.376 6.920 1.00 0.00 S ATOM 587 CE MET A 39 -6.004 -0.602 8.060 1.00 0.00 C ATOM 0 H MET A 39 -6.841 3.360 4.644 1.00 0.00 H new ATOM 0 HA MET A 39 -5.997 1.156 2.948 1.00 0.00 H new ATOM 0 HB2 MET A 39 -8.328 1.504 4.886 1.00 0.00 H new ATOM 0 HB3 MET A 39 -7.932 0.006 4.067 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.728 -0.035 5.205 1.00 0.00 H new ATOM 0 HG3 MET A 39 -6.121 1.464 6.023 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.201 -1.465 8.696 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.084 -0.766 7.499 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.897 0.288 8.680 1.00 0.00 H new ATOM 597 N LYS A 40 -8.706 2.932 2.363 1.00 0.00 N ATOM 598 CA LYS A 40 -9.801 3.194 1.419 1.00 0.00 C ATOM 599 C LYS A 40 -10.830 2.066 1.424 1.00 0.00 C ATOM 600 O LYS A 40 -10.608 0.999 2.001 1.00 0.00 O ATOM 601 CB LYS A 40 -9.276 3.397 -0.007 1.00 0.00 C ATOM 602 CG LYS A 40 -8.503 4.685 -0.196 1.00 0.00 C ATOM 603 CD LYS A 40 -7.954 4.803 -1.606 1.00 0.00 C ATOM 604 CE LYS A 40 -7.228 6.123 -1.807 1.00 0.00 C ATOM 605 NZ LYS A 40 -6.162 6.335 -0.790 1.00 0.00 N ATOM 0 H LYS A 40 -8.659 3.597 3.135 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.285 4.112 1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.634 2.557 -0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.118 3.384 -0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.153 5.535 0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.682 4.726 0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.271 3.976 -1.803 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.770 4.721 -2.324 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.788 6.146 -2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.945 6.942 -1.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.457 7.004 -1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.583 6.721 0.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.700 5.428 -0.577 1.00 0.00 H new ATOM 619 N LYS A 41 -11.971 2.317 0.805 1.00 0.00 N ATOM 620 CA LYS A 41 -12.977 1.286 0.625 1.00 0.00 C ATOM 621 C LYS A 41 -13.307 1.131 -0.852 1.00 0.00 C ATOM 622 O LYS A 41 -13.832 2.052 -1.481 1.00 0.00 O ATOM 623 CB LYS A 41 -14.247 1.613 1.410 1.00 0.00 C ATOM 624 CG LYS A 41 -15.257 0.476 1.416 1.00 0.00 C ATOM 625 CD LYS A 41 -16.540 0.870 2.123 1.00 0.00 C ATOM 626 CE LYS A 41 -17.450 -0.326 2.335 1.00 0.00 C ATOM 627 NZ LYS A 41 -18.620 0.017 3.185 1.00 0.00 N ATOM 0 H LYS A 41 -12.223 3.227 0.419 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.572 0.348 1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.978 1.857 2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.712 2.501 0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.482 0.183 0.390 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.823 -0.394 1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.302 1.322 3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -17.062 1.626 1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.797 -0.695 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.886 -1.134 2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -19.219 -0.825 3.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -18.289 0.345 4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -19.172 0.771 2.728 1.00 0.00 H new ATOM 641 N ILE A 42 -12.986 -0.025 -1.409 1.00 0.00 N ATOM 642 CA ILE A 42 -13.307 -0.306 -2.798 1.00 0.00 C ATOM 643 C ILE A 42 -14.740 -0.834 -2.874 1.00 0.00 C ATOM 644 O ILE A 42 -15.283 -1.289 -1.866 1.00 0.00 O ATOM 645 CB ILE A 42 -12.325 -1.329 -3.417 1.00 0.00 C ATOM 646 CG1 ILE A 42 -10.883 -1.036 -2.978 1.00 0.00 C ATOM 647 CG2 ILE A 42 -12.422 -1.307 -4.938 1.00 0.00 C ATOM 648 CD1 ILE A 42 -10.369 0.326 -3.404 1.00 0.00 C ATOM 0 H ILE A 42 -12.505 -0.782 -0.922 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.214 0.616 -3.372 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.601 -2.321 -3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.823 -1.111 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.227 -1.804 -3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.725 -2.032 -5.358 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -13.437 -1.562 -5.242 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -12.173 -0.311 -5.304 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -9.344 0.454 -3.055 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.394 0.401 -4.491 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -10.999 1.104 -2.973 1.00 0.00 H new ATOM 660 N LYS A 43 -15.351 -0.761 -4.052 1.00 0.00 N ATOM 661 CA LYS A 43 -16.752 -1.140 -4.215 1.00 0.00 C ATOM 662 C LYS A 43 -16.959 -2.640 -3.986 1.00 0.00 C ATOM 663 O LYS A 43 -16.837 -3.444 -4.914 1.00 0.00 O ATOM 664 CB LYS A 43 -17.254 -0.757 -5.610 1.00 0.00 C ATOM 665 CG LYS A 43 -17.040 0.707 -5.967 1.00 0.00 C ATOM 666 CD LYS A 43 -17.640 1.030 -7.327 1.00 0.00 C ATOM 667 CE LYS A 43 -17.315 2.447 -7.777 1.00 0.00 C ATOM 668 NZ LYS A 43 -17.833 3.476 -6.838 1.00 0.00 N ATOM 0 H LYS A 43 -14.899 -0.443 -4.909 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.326 -0.597 -3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.748 -1.378 -6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.318 -0.984 -5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -17.494 1.341 -5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.973 0.931 -5.974 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -17.265 0.321 -8.065 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -18.722 0.903 -7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.234 2.556 -7.870 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -17.739 2.617 -8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.645 4.424 -7.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -18.858 3.349 -6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.359 3.376 -5.918 1.00 0.00 H new ATOM 682 N GLY A 44 -17.252 -3.008 -2.744 1.00 0.00 N ATOM 683 CA GLY A 44 -17.528 -4.398 -2.424 1.00 0.00 C ATOM 684 C GLY A 44 -16.273 -5.248 -2.399 1.00 0.00 C ATOM 685 O GLY A 44 -16.207 -6.293 -3.052 1.00 0.00 O ATOM 0 H GLY A 44 -17.304 -2.368 -1.951 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -18.020 -4.453 -1.453 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -18.224 -4.805 -3.157 1.00 0.00 H new ATOM 689 N TYR A 45 -15.276 -4.800 -1.652 1.00 0.00 N ATOM 690 CA TYR A 45 -14.026 -5.533 -1.521 1.00 0.00 C ATOM 691 C TYR A 45 -13.670 -5.728 -0.054 1.00 0.00 C ATOM 692 O TYR A 45 -13.637 -4.772 0.720 1.00 0.00 O ATOM 693 CB TYR A 45 -12.886 -4.803 -2.237 1.00 0.00 C ATOM 694 CG TYR A 45 -12.859 -5.001 -3.739 1.00 0.00 C ATOM 695 CD1 TYR A 45 -13.825 -4.431 -4.557 1.00 0.00 C ATOM 696 CD2 TYR A 45 -11.857 -5.754 -4.336 1.00 0.00 C ATOM 697 CE1 TYR A 45 -13.795 -4.607 -5.927 1.00 0.00 C ATOM 698 CE2 TYR A 45 -11.819 -5.935 -5.706 1.00 0.00 C ATOM 699 CZ TYR A 45 -12.790 -5.359 -6.497 1.00 0.00 C ATOM 700 OH TYR A 45 -12.758 -5.533 -7.861 1.00 0.00 O ATOM 0 H TYR A 45 -15.309 -3.928 -1.125 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.163 -6.509 -1.986 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.965 -3.737 -2.025 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -11.937 -5.142 -1.821 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -14.613 -3.840 -4.115 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.094 -6.206 -3.720 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.555 -4.158 -6.548 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.033 -6.524 -6.154 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.986 -6.087 -8.102 1.00 0.00 H new ATOM 710 N THR A 46 -13.416 -6.969 0.314 1.00 0.00 N ATOM 711 CA THR A 46 -13.021 -7.315 1.668 1.00 0.00 C ATOM 712 C THR A 46 -11.503 -7.331 1.773 1.00 0.00 C ATOM 713 O THR A 46 -10.833 -7.835 0.879 1.00 0.00 O ATOM 714 CB THR A 46 -13.546 -8.717 2.038 1.00 0.00 C ATOM 715 OG1 THR A 46 -14.910 -8.854 1.635 1.00 0.00 O ATOM 716 CG2 THR A 46 -13.428 -8.974 3.532 1.00 0.00 C ATOM 0 H THR A 46 -13.477 -7.768 -0.317 1.00 0.00 H new ATOM 0 HA THR A 46 -13.441 -6.573 2.347 1.00 0.00 H new ATOM 0 HB THR A 46 -12.935 -9.451 1.513 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.233 -9.748 1.873 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.806 -9.970 3.761 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.382 -8.905 3.832 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.011 -8.231 4.076 1.00 0.00 H new ATOM 724 N LEU A 47 -10.952 -6.782 2.841 1.00 0.00 N ATOM 725 CA LEU A 47 -9.521 -6.900 3.056 1.00 0.00 C ATOM 726 C LEU A 47 -9.200 -8.332 3.448 1.00 0.00 C ATOM 727 O LEU A 47 -9.554 -8.774 4.540 1.00 0.00 O ATOM 728 CB LEU A 47 -9.028 -5.933 4.134 1.00 0.00 C ATOM 729 CG LEU A 47 -7.516 -5.957 4.381 1.00 0.00 C ATOM 730 CD1 LEU A 47 -6.758 -5.604 3.111 1.00 0.00 C ATOM 731 CD2 LEU A 47 -7.143 -5.003 5.502 1.00 0.00 C ATOM 0 H LEU A 47 -11.459 -6.262 3.557 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.007 -6.639 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.319 -4.921 3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.538 -6.164 5.069 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.236 -6.967 4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.686 -5.627 3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.999 -6.326 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.045 -4.605 2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.065 -5.034 5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.441 -3.990 5.232 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.655 -5.299 6.417 1.00 0.00 H new ATOM 743 N LEU A 48 -8.566 -9.060 2.535 1.00 0.00 N ATOM 744 CA LEU A 48 -8.237 -10.458 2.763 1.00 0.00 C ATOM 745 C LEU A 48 -7.396 -10.598 4.025 1.00 0.00 C ATOM 746 O LEU A 48 -7.724 -11.384 4.918 1.00 0.00 O ATOM 747 CB LEU A 48 -7.485 -11.031 1.557 1.00 0.00 C ATOM 748 CG LEU A 48 -7.155 -12.523 1.639 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.430 -13.353 1.696 1.00 0.00 C ATOM 750 CD2 LEU A 48 -6.300 -12.941 0.454 1.00 0.00 C ATOM 0 H LEU A 48 -8.270 -8.701 1.627 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.162 -11.019 2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.082 -10.857 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.555 -10.477 1.433 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.591 -12.701 2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.173 -14.411 1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.009 -13.071 2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.022 -13.172 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.073 -14.005 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.842 -12.747 -0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.371 -12.371 0.457 1.00 0.00 H new ATOM 762 N LYS A 49 -6.329 -9.809 4.085 1.00 0.00 N ATOM 763 CA LYS A 49 -5.430 -9.772 5.231 1.00 0.00 C ATOM 764 C LYS A 49 -4.227 -8.907 4.892 1.00 0.00 C ATOM 765 O LYS A 49 -3.909 -8.716 3.717 1.00 0.00 O ATOM 766 CB LYS A 49 -4.953 -11.184 5.614 1.00 0.00 C ATOM 767 CG LYS A 49 -4.154 -11.226 6.906 1.00 0.00 C ATOM 768 CD LYS A 49 -3.649 -12.623 7.213 1.00 0.00 C ATOM 769 CE LYS A 49 -2.784 -12.633 8.463 1.00 0.00 C ATOM 770 NZ LYS A 49 -1.592 -11.753 8.323 1.00 0.00 N ATOM 0 H LYS A 49 -6.062 -9.173 3.334 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.971 -9.355 6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.820 -11.838 5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.342 -11.584 4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.308 -10.542 6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.776 -10.876 7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.495 -13.297 7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.074 -12.999 6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.377 -12.307 9.317 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.460 -13.653 8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.731 -12.299 8.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.543 -11.387 7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.667 -10.958 8.989 1.00 0.00 H new ATOM 784 N TYR A 50 -3.575 -8.365 5.905 1.00 0.00 N ATOM 785 CA TYR A 50 -2.314 -7.683 5.703 1.00 0.00 C ATOM 786 C TYR A 50 -1.180 -8.687 5.720 1.00 0.00 C ATOM 787 O TYR A 50 -1.165 -9.605 6.541 1.00 0.00 O ATOM 788 CB TYR A 50 -2.081 -6.610 6.766 1.00 0.00 C ATOM 789 CG TYR A 50 -2.592 -5.248 6.364 1.00 0.00 C ATOM 790 CD1 TYR A 50 -2.030 -4.578 5.288 1.00 0.00 C ATOM 791 CD2 TYR A 50 -3.627 -4.635 7.054 1.00 0.00 C ATOM 792 CE1 TYR A 50 -2.484 -3.330 4.908 1.00 0.00 C ATOM 793 CE2 TYR A 50 -4.089 -3.387 6.681 1.00 0.00 C ATOM 794 CZ TYR A 50 -3.513 -2.739 5.608 1.00 0.00 C ATOM 795 OH TYR A 50 -3.966 -1.495 5.235 1.00 0.00 O ATOM 0 H TYR A 50 -3.898 -8.385 6.872 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.349 -7.188 4.733 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.569 -6.914 7.692 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.013 -6.542 6.976 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.224 -5.040 4.738 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.079 -5.140 7.895 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.035 -2.821 4.068 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.897 -2.922 7.227 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.452 -1.178 4.463 1.00 0.00 H new ATOM 805 N ASP A 51 -0.243 -8.526 4.803 1.00 0.00 N ATOM 806 CA ASP A 51 0.900 -9.422 4.723 1.00 0.00 C ATOM 807 C ASP A 51 1.836 -9.193 5.905 1.00 0.00 C ATOM 808 O ASP A 51 2.565 -10.092 6.326 1.00 0.00 O ATOM 809 CB ASP A 51 1.643 -9.210 3.407 1.00 0.00 C ATOM 810 CG ASP A 51 2.818 -10.147 3.244 1.00 0.00 C ATOM 811 OD1 ASP A 51 2.616 -11.278 2.760 1.00 0.00 O ATOM 812 OD2 ASP A 51 3.951 -9.748 3.582 1.00 0.00 O ATOM 0 H ASP A 51 -0.250 -7.784 4.103 1.00 0.00 H new ATOM 0 HA ASP A 51 0.542 -10.451 4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.951 -9.353 2.577 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.995 -8.180 3.355 1.00 0.00 H new ATOM 817 N SER A 52 1.797 -7.978 6.436 1.00 0.00 N ATOM 818 CA SER A 52 2.590 -7.609 7.594 1.00 0.00 C ATOM 819 C SER A 52 1.999 -6.367 8.253 1.00 0.00 C ATOM 820 O SER A 52 1.056 -5.768 7.725 1.00 0.00 O ATOM 821 CB SER A 52 4.048 -7.373 7.186 1.00 0.00 C ATOM 822 OG SER A 52 4.131 -6.603 5.995 1.00 0.00 O ATOM 0 H SER A 52 1.214 -7.223 6.074 1.00 0.00 H new ATOM 0 HA SER A 52 2.570 -8.425 8.316 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.575 -6.860 7.991 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.546 -8.331 7.038 1.00 0.00 H new ATOM 0 HG SER A 52 5.072 -6.466 5.759 1.00 0.00 H new ATOM 828 N GLU A 53 2.538 -5.988 9.405 1.00 0.00 N ATOM 829 CA GLU A 53 2.052 -4.818 10.123 1.00 0.00 C ATOM 830 C GLU A 53 2.474 -3.530 9.430 1.00 0.00 C ATOM 831 O GLU A 53 3.590 -3.419 8.921 1.00 0.00 O ATOM 832 CB GLU A 53 2.537 -4.832 11.572 1.00 0.00 C ATOM 833 CG GLU A 53 1.790 -5.834 12.434 1.00 0.00 C ATOM 834 CD GLU A 53 0.298 -5.577 12.434 1.00 0.00 C ATOM 835 OE1 GLU A 53 -0.164 -4.738 13.235 1.00 0.00 O ATOM 836 OE2 GLU A 53 -0.417 -6.188 11.613 1.00 0.00 O ATOM 0 H GLU A 53 3.311 -6.473 9.861 1.00 0.00 H new ATOM 0 HA GLU A 53 0.963 -4.857 10.123 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.602 -5.066 11.592 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.421 -3.836 11.998 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.985 -6.843 12.070 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.167 -5.786 13.456 1.00 0.00 H new ATOM 843 N ILE A 54 1.566 -2.563 9.418 1.00 0.00 N ATOM 844 CA ILE A 54 1.792 -1.303 8.726 1.00 0.00 C ATOM 845 C ILE A 54 2.170 -0.195 9.703 1.00 0.00 C ATOM 846 O ILE A 54 2.700 0.843 9.307 1.00 0.00 O ATOM 847 CB ILE A 54 0.541 -0.873 7.931 1.00 0.00 C ATOM 848 CG1 ILE A 54 -0.681 -0.800 8.856 1.00 0.00 C ATOM 849 CG2 ILE A 54 0.294 -1.840 6.782 1.00 0.00 C ATOM 850 CD1 ILE A 54 -1.942 -0.317 8.173 1.00 0.00 C ATOM 0 H ILE A 54 0.661 -2.629 9.883 1.00 0.00 H new ATOM 0 HA ILE A 54 2.619 -1.463 8.034 1.00 0.00 H new ATOM 0 HB ILE A 54 0.711 0.120 7.515 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.864 -1.788 9.278 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.454 -0.135 9.689 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.591 -1.528 6.227 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.157 -1.842 6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.138 -2.844 7.178 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.760 -0.293 8.893 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.780 0.685 7.775 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.196 -0.994 7.358 1.00 0.00 H new ATOM 862 N LEU A 55 1.892 -0.414 10.981 1.00 0.00 N ATOM 863 CA LEU A 55 2.213 0.571 12.003 1.00 0.00 C ATOM 864 C LEU A 55 3.691 0.493 12.372 1.00 0.00 C ATOM 865 O LEU A 55 4.091 -0.324 13.203 1.00 0.00 O ATOM 866 CB LEU A 55 1.341 0.363 13.245 1.00 0.00 C ATOM 867 CG LEU A 55 1.543 1.393 14.363 1.00 0.00 C ATOM 868 CD1 LEU A 55 1.180 2.790 13.880 1.00 0.00 C ATOM 869 CD2 LEU A 55 0.715 1.022 15.584 1.00 0.00 C ATOM 0 H LEU A 55 1.447 -1.261 11.333 1.00 0.00 H new ATOM 0 HA LEU A 55 2.007 1.563 11.601 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.294 0.380 12.942 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.540 -0.630 13.647 1.00 0.00 H new ATOM 0 HG LEU A 55 2.596 1.390 14.644 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.331 3.505 14.689 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.814 3.059 13.035 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.135 2.808 13.570 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.870 1.763 16.368 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.341 0.995 15.313 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.021 0.041 15.947 1.00 0.00 H new ATOM 881 N GLY A 56 4.493 1.326 11.729 1.00 0.00 N ATOM 882 CA GLY A 56 5.914 1.352 11.999 1.00 0.00 C ATOM 883 C GLY A 56 6.568 2.597 11.439 1.00 0.00 C ATOM 884 O GLY A 56 5.877 3.526 11.020 1.00 0.00 O ATOM 0 H GLY A 56 4.182 1.990 11.019 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.081 1.306 13.075 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.383 0.468 11.566 1.00 0.00 H new ATOM 888 N VAL A 57 7.894 2.618 11.431 1.00 0.00 N ATOM 889 CA VAL A 57 8.635 3.757 10.905 1.00 0.00 C ATOM 890 C VAL A 57 9.095 3.492 9.477 1.00 0.00 C ATOM 891 O VAL A 57 9.105 2.344 9.022 1.00 0.00 O ATOM 892 CB VAL A 57 9.864 4.101 11.780 1.00 0.00 C ATOM 893 CG1 VAL A 57 9.430 4.487 13.185 1.00 0.00 C ATOM 894 CG2 VAL A 57 10.843 2.936 11.825 1.00 0.00 C ATOM 0 H VAL A 57 8.479 1.860 11.783 1.00 0.00 H new ATOM 0 HA VAL A 57 7.953 4.608 10.918 1.00 0.00 H new ATOM 0 HB VAL A 57 10.371 4.954 11.329 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.309 4.725 13.785 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.776 5.358 13.137 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.894 3.655 13.642 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.698 3.203 12.446 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.348 2.061 12.246 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.185 2.709 10.815 1.00 0.00 H new ATOM 904 N PHE A 58 9.467 4.556 8.779 1.00 0.00 N ATOM 905 CA PHE A 58 9.966 4.450 7.416 1.00 0.00 C ATOM 906 C PHE A 58 11.350 3.805 7.374 1.00 0.00 C ATOM 907 O PHE A 58 11.890 3.373 8.393 1.00 0.00 O ATOM 908 CB PHE A 58 10.035 5.833 6.759 1.00 0.00 C ATOM 909 CG PHE A 58 8.703 6.397 6.357 1.00 0.00 C ATOM 910 CD1 PHE A 58 8.154 6.078 5.128 1.00 0.00 C ATOM 911 CD2 PHE A 58 8.010 7.253 7.192 1.00 0.00 C ATOM 912 CE1 PHE A 58 6.939 6.600 4.739 1.00 0.00 C ATOM 913 CE2 PHE A 58 6.790 7.779 6.810 1.00 0.00 C ATOM 914 CZ PHE A 58 6.253 7.452 5.579 1.00 0.00 C ATOM 0 H PHE A 58 9.432 5.510 9.139 1.00 0.00 H new ATOM 0 HA PHE A 58 9.270 3.817 6.866 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.516 6.526 7.450 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.671 5.771 5.876 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.684 5.411 4.464 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.426 7.514 8.154 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.524 6.342 3.776 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.257 8.445 7.473 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.301 7.862 5.276 1.00 0.00 H new ATOM 924 N THR A 59 11.907 3.731 6.180 1.00 0.00 N ATOM 925 CA THR A 59 13.253 3.229 5.974 1.00 0.00 C ATOM 926 C THR A 59 13.822 3.884 4.721 1.00 0.00 C ATOM 927 O THR A 59 13.066 4.365 3.881 1.00 0.00 O ATOM 928 CB THR A 59 13.270 1.691 5.814 1.00 0.00 C ATOM 929 OG1 THR A 59 12.482 1.079 6.845 1.00 0.00 O ATOM 930 CG2 THR A 59 14.689 1.146 5.889 1.00 0.00 C ATOM 0 H THR A 59 11.437 4.019 5.322 1.00 0.00 H new ATOM 0 HA THR A 59 13.858 3.473 6.847 1.00 0.00 H new ATOM 0 HB THR A 59 12.852 1.455 4.835 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.498 0.105 6.734 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.669 0.062 5.773 1.00 0.00 H new ATOM 0 HG22 THR A 59 15.290 1.585 5.093 1.00 0.00 H new ATOM 0 HG23 THR A 59 15.126 1.400 6.855 1.00 0.00 H new ATOM 938 N GLU A 60 15.140 3.905 4.590 1.00 0.00 N ATOM 939 CA GLU A 60 15.776 4.543 3.446 1.00 0.00 C ATOM 940 C GLU A 60 15.852 3.565 2.276 1.00 0.00 C ATOM 941 O GLU A 60 16.856 3.479 1.563 1.00 0.00 O ATOM 942 CB GLU A 60 17.165 5.047 3.827 1.00 0.00 C ATOM 943 CG GLU A 60 17.703 6.091 2.867 1.00 0.00 C ATOM 944 CD GLU A 60 19.058 6.613 3.273 1.00 0.00 C ATOM 945 OE1 GLU A 60 19.134 7.356 4.273 1.00 0.00 O ATOM 946 OE2 GLU A 60 20.048 6.297 2.586 1.00 0.00 O ATOM 0 H GLU A 60 15.788 3.489 5.259 1.00 0.00 H new ATOM 0 HA GLU A 60 15.177 5.400 3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.129 5.470 4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.854 4.203 3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.769 5.660 1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.000 6.922 2.810 1.00 0.00 H new ATOM 953 N SER A 61 14.771 2.832 2.092 1.00 0.00 N ATOM 954 CA SER A 61 14.632 1.883 1.007 1.00 0.00 C ATOM 955 C SER A 61 13.153 1.739 0.679 1.00 0.00 C ATOM 956 O SER A 61 12.355 1.429 1.565 1.00 0.00 O ATOM 957 CB SER A 61 15.227 0.528 1.400 1.00 0.00 C ATOM 958 OG SER A 61 16.590 0.658 1.775 1.00 0.00 O ATOM 0 H SER A 61 13.954 2.880 2.701 1.00 0.00 H new ATOM 0 HA SER A 61 15.172 2.242 0.131 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.658 0.104 2.227 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.141 -0.167 0.564 1.00 0.00 H new ATOM 0 HG SER A 61 16.946 -0.221 2.023 1.00 0.00 H new ATOM 964 N PRO A 62 12.771 1.997 -0.583 1.00 0.00 N ATOM 965 CA PRO A 62 11.369 1.964 -1.018 1.00 0.00 C ATOM 966 C PRO A 62 10.644 0.692 -0.592 1.00 0.00 C ATOM 967 O PRO A 62 10.905 -0.396 -1.115 1.00 0.00 O ATOM 968 CB PRO A 62 11.470 2.042 -2.541 1.00 0.00 C ATOM 969 CG PRO A 62 12.746 2.762 -2.794 1.00 0.00 C ATOM 970 CD PRO A 62 13.679 2.352 -1.688 1.00 0.00 C ATOM 0 HA PRO A 62 10.790 2.772 -0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.479 1.049 -2.989 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.621 2.576 -2.968 1.00 0.00 H new ATOM 0 HG2 PRO A 62 13.156 2.498 -3.769 1.00 0.00 H new ATOM 0 HG3 PRO A 62 12.592 3.841 -2.795 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.302 1.508 -1.982 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.352 3.163 -1.409 1.00 0.00 H new ATOM 978 N GLN A 63 9.746 0.832 0.373 1.00 0.00 N ATOM 979 CA GLN A 63 8.960 -0.291 0.853 1.00 0.00 C ATOM 980 C GLN A 63 7.713 -0.459 -0.001 1.00 0.00 C ATOM 981 O GLN A 63 7.350 0.435 -0.766 1.00 0.00 O ATOM 982 CB GLN A 63 8.556 -0.093 2.314 1.00 0.00 C ATOM 983 CG GLN A 63 9.728 -0.021 3.278 1.00 0.00 C ATOM 984 CD GLN A 63 9.281 0.125 4.719 1.00 0.00 C ATOM 985 OE1 GLN A 63 8.233 0.697 5.003 1.00 0.00 O ATOM 986 NE2 GLN A 63 10.072 -0.397 5.640 1.00 0.00 N ATOM 0 H GLN A 63 9.545 1.717 0.839 1.00 0.00 H new ATOM 0 HA GLN A 63 9.575 -1.188 0.781 1.00 0.00 H new ATOM 0 HB2 GLN A 63 7.974 0.825 2.398 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.903 -0.913 2.613 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.334 -0.922 3.178 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.364 0.823 3.010 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.935 -0.865 5.365 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.819 -0.332 6.626 1.00 0.00 H new ATOM 995 N THR A 64 7.067 -1.602 0.120 1.00 0.00 N ATOM 996 CA THR A 64 5.853 -1.868 -0.622 1.00 0.00 C ATOM 997 C THR A 64 4.754 -2.388 0.300 1.00 0.00 C ATOM 998 O THR A 64 4.860 -3.487 0.846 1.00 0.00 O ATOM 999 CB THR A 64 6.114 -2.876 -1.756 1.00 0.00 C ATOM 1000 OG1 THR A 64 7.155 -2.379 -2.609 1.00 0.00 O ATOM 1001 CG2 THR A 64 4.855 -3.119 -2.573 1.00 0.00 C ATOM 0 H THR A 64 7.365 -2.364 0.729 1.00 0.00 H new ATOM 0 HA THR A 64 5.520 -0.928 -1.062 1.00 0.00 H new ATOM 0 HB THR A 64 6.420 -3.823 -1.311 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.322 -3.022 -3.330 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.069 -3.835 -3.367 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.073 -3.517 -1.926 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.519 -2.180 -3.012 1.00 0.00 H new ATOM 1009 N ILE A 65 3.718 -1.586 0.488 1.00 0.00 N ATOM 1010 CA ILE A 65 2.580 -1.985 1.299 1.00 0.00 C ATOM 1011 C ILE A 65 1.523 -2.622 0.415 1.00 0.00 C ATOM 1012 O ILE A 65 0.841 -1.934 -0.345 1.00 0.00 O ATOM 1013 CB ILE A 65 1.961 -0.789 2.060 1.00 0.00 C ATOM 1014 CG1 ILE A 65 3.000 -0.147 2.983 1.00 0.00 C ATOM 1015 CG2 ILE A 65 0.741 -1.231 2.859 1.00 0.00 C ATOM 1016 CD1 ILE A 65 3.586 -1.106 3.996 1.00 0.00 C ATOM 0 H ILE A 65 3.642 -0.651 0.088 1.00 0.00 H new ATOM 0 HA ILE A 65 2.937 -2.701 2.039 1.00 0.00 H new ATOM 0 HB ILE A 65 1.640 -0.047 1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.807 0.265 2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.539 0.688 3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.322 -0.374 3.386 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.008 -1.643 2.182 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.035 -1.993 3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.314 -0.581 4.615 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.790 -1.500 4.627 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.077 -1.929 3.476 1.00 0.00 H new ATOM 1028 N ASN A 66 1.406 -3.935 0.492 1.00 0.00 N ATOM 1029 CA ASN A 66 0.463 -4.659 -0.338 1.00 0.00 C ATOM 1030 C ASN A 66 -0.874 -4.831 0.375 1.00 0.00 C ATOM 1031 O ASN A 66 -1.044 -5.703 1.227 1.00 0.00 O ATOM 1032 CB ASN A 66 1.038 -6.019 -0.779 1.00 0.00 C ATOM 1033 CG ASN A 66 1.460 -6.924 0.370 1.00 0.00 C ATOM 1034 OD1 ASN A 66 1.889 -6.465 1.433 1.00 0.00 O ATOM 1035 ND2 ASN A 66 1.353 -8.227 0.156 1.00 0.00 N ATOM 0 H ASN A 66 1.953 -4.522 1.122 1.00 0.00 H new ATOM 0 HA ASN A 66 0.288 -4.068 -1.237 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.291 -6.538 -1.379 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.900 -5.844 -1.423 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.630 -8.888 0.882 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.994 -8.570 -0.735 1.00 0.00 H new ATOM 1042 N ILE A 67 -1.815 -3.965 0.039 1.00 0.00 N ATOM 1043 CA ILE A 67 -3.159 -4.046 0.584 1.00 0.00 C ATOM 1044 C ILE A 67 -4.037 -4.836 -0.373 1.00 0.00 C ATOM 1045 O ILE A 67 -4.505 -4.302 -1.378 1.00 0.00 O ATOM 1046 CB ILE A 67 -3.777 -2.648 0.806 1.00 0.00 C ATOM 1047 CG1 ILE A 67 -2.828 -1.763 1.618 1.00 0.00 C ATOM 1048 CG2 ILE A 67 -5.121 -2.770 1.511 1.00 0.00 C ATOM 1049 CD1 ILE A 67 -3.348 -0.358 1.836 1.00 0.00 C ATOM 0 H ILE A 67 -1.671 -3.193 -0.613 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.100 -4.542 1.553 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.934 -2.182 -0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.649 -2.230 2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.867 -1.711 1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.545 -1.777 1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.799 -3.366 0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.982 -3.255 2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.624 0.212 2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.500 0.127 0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.295 -0.400 2.375 1.00 0.00 H new ATOM 1061 N ILE A 68 -4.232 -6.108 -0.077 1.00 0.00 N ATOM 1062 CA ILE A 68 -4.943 -6.993 -0.988 1.00 0.00 C ATOM 1063 C ILE A 68 -6.426 -7.064 -0.642 1.00 0.00 C ATOM 1064 O ILE A 68 -6.813 -7.574 0.414 1.00 0.00 O ATOM 1065 CB ILE A 68 -4.338 -8.412 -0.977 1.00 0.00 C ATOM 1066 CG1 ILE A 68 -2.856 -8.349 -1.360 1.00 0.00 C ATOM 1067 CG2 ILE A 68 -5.102 -9.325 -1.931 1.00 0.00 C ATOM 1068 CD1 ILE A 68 -2.158 -9.691 -1.337 1.00 0.00 C ATOM 0 H ILE A 68 -3.910 -6.552 0.783 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.836 -6.576 -1.989 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.423 -8.825 0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.767 -7.922 -2.359 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.343 -7.672 -0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.662 -10.322 -1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.146 -9.383 -1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.045 -8.924 -2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.113 -9.563 -1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.213 -10.113 -0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.644 -10.366 -2.042 1.00 0.00 H new ATOM 1080 N TYR A 69 -7.246 -6.537 -1.535 1.00 0.00 N ATOM 1081 CA TYR A 69 -8.686 -6.577 -1.372 1.00 0.00 C ATOM 1082 C TYR A 69 -9.283 -7.715 -2.184 1.00 0.00 C ATOM 1083 O TYR A 69 -8.954 -7.905 -3.355 1.00 0.00 O ATOM 1084 CB TYR A 69 -9.318 -5.245 -1.780 1.00 0.00 C ATOM 1085 CG TYR A 69 -9.228 -4.181 -0.710 1.00 0.00 C ATOM 1086 CD1 TYR A 69 -10.031 -4.249 0.419 1.00 0.00 C ATOM 1087 CD2 TYR A 69 -8.346 -3.115 -0.826 1.00 0.00 C ATOM 1088 CE1 TYR A 69 -9.959 -3.286 1.405 1.00 0.00 C ATOM 1089 CE2 TYR A 69 -8.268 -2.146 0.158 1.00 0.00 C ATOM 1090 CZ TYR A 69 -9.078 -2.238 1.271 1.00 0.00 C ATOM 1091 OH TYR A 69 -9.003 -1.282 2.258 1.00 0.00 O ATOM 0 H TYR A 69 -6.933 -6.073 -2.388 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.902 -6.750 -0.318 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.829 -4.882 -2.684 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.366 -5.411 -2.029 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.725 -5.070 0.528 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.712 -3.041 -1.697 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.591 -3.355 2.278 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.577 -1.322 0.056 1.00 0.00 H new ATOM 0 HH TYR A 69 -9.611 -0.543 2.045 1.00 0.00 H new ATOM 1101 N GLN A 70 -10.154 -8.471 -1.545 1.00 0.00 N ATOM 1102 CA GLN A 70 -10.806 -9.596 -2.175 1.00 0.00 C ATOM 1103 C GLN A 70 -12.241 -9.231 -2.525 1.00 0.00 C ATOM 1104 O GLN A 70 -12.982 -8.719 -1.684 1.00 0.00 O ATOM 1105 CB GLN A 70 -10.793 -10.800 -1.238 1.00 0.00 C ATOM 1106 CG GLN A 70 -11.115 -12.106 -1.933 1.00 0.00 C ATOM 1107 CD GLN A 70 -11.293 -13.256 -0.966 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -11.794 -13.084 0.145 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -10.851 -14.433 -1.371 1.00 0.00 N ATOM 0 H GLN A 70 -10.428 -8.320 -0.574 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.268 -9.851 -3.088 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.811 -10.878 -0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.514 -10.636 -0.437 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.026 -11.986 -2.519 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.315 -12.347 -2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.442 -14.532 -2.300 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.918 -15.243 -0.754 1.00 0.00 H new ATOM 1118 N LYS A 71 -12.620 -9.478 -3.766 1.00 0.00 N ATOM 1119 CA LYS A 71 -13.973 -9.203 -4.223 1.00 0.00 C ATOM 1120 C LYS A 71 -14.983 -10.031 -3.428 1.00 0.00 C ATOM 1121 O LYS A 71 -14.690 -11.158 -3.023 1.00 0.00 O ATOM 1122 CB LYS A 71 -14.087 -9.520 -5.713 1.00 0.00 C ATOM 1123 CG LYS A 71 -14.813 -8.453 -6.512 1.00 0.00 C ATOM 1124 CD LYS A 71 -14.785 -8.770 -7.996 1.00 0.00 C ATOM 1125 CE LYS A 71 -15.247 -7.592 -8.836 1.00 0.00 C ATOM 1126 NZ LYS A 71 -16.657 -7.215 -8.556 1.00 0.00 N ATOM 0 H LYS A 71 -12.007 -9.871 -4.480 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.193 -8.147 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.086 -9.651 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.609 -10.469 -5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.846 -8.379 -6.172 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.349 -7.483 -6.335 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.773 -9.049 -8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.424 -9.631 -8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.600 -6.736 -8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.143 -7.839 -9.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.941 -6.440 -9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.274 -8.037 -8.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.743 -6.904 -7.567 1.00 0.00 H new ATOM 1140 N LYS A 72 -16.158 -9.459 -3.195 1.00 0.00 N ATOM 1141 CA LYS A 72 -17.206 -10.139 -2.435 1.00 0.00 C ATOM 1142 C LYS A 72 -17.703 -11.390 -3.150 1.00 0.00 C ATOM 1143 O LYS A 72 -17.941 -12.417 -2.514 1.00 0.00 O ATOM 1144 CB LYS A 72 -18.396 -9.205 -2.190 1.00 0.00 C ATOM 1145 CG LYS A 72 -18.110 -8.046 -1.253 1.00 0.00 C ATOM 1146 CD LYS A 72 -17.646 -8.528 0.110 1.00 0.00 C ATOM 1147 CE LYS A 72 -17.641 -7.399 1.128 1.00 0.00 C ATOM 1148 NZ LYS A 72 -19.017 -6.946 1.458 1.00 0.00 N ATOM 0 H LYS A 72 -16.412 -8.526 -3.520 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.763 -10.430 -1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -18.731 -8.806 -3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -19.221 -9.789 -1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.346 -7.403 -1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -19.009 -7.440 -1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -18.300 -9.328 0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.644 -8.949 0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.140 -7.732 2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.066 -6.560 0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.999 -6.396 2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.381 -6.351 0.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.636 -7.773 1.578 1.00 0.00 H new