USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 449 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 Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 151:sc= -13.1! (180deg=-16.7!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -163:sc=-0.00165 (180deg=-0.262) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 170:sc= 0.0217 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -3.22 K(o=-3.2,f=-1.6) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -5.19! K(o=-5.2!,f=-0.88) USER MOD Single : A 35 GLN : amide:sc= -5.4! C(o=-5.4!,f=-5.2!) USER MOD Single : A 42 TYR OH : rot -84:sc= 0.216 USER MOD Single : A 44 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 48 SER OG : rot -62:sc= -0.407 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -152:sc=-0.00516 USER MOD Single : A 62 GLN : amide:sc= -14.9! C(o=-15!,f=-8.3!) USER MOD Single : A 64 SER OG : rot 48:sc= 0.661 USER MOD Single : A 67 ASN : amide:sc= -4.12! C(o=-4.1!,f=-3.7!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0655 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 7 4.816 10.051 4.066 1.00 64.22 N ATOM 73 CA GLU A 7 4.950 9.426 2.755 1.00 51.24 C ATOM 74 C GLU A 7 5.040 7.908 2.883 1.00 32.41 C ATOM 75 O GLU A 7 5.978 7.378 3.480 1.00 44.53 O ATOM 76 CB GLU A 7 6.189 9.963 2.035 1.00 24.41 C ATOM 77 CG GLU A 7 7.269 10.470 2.975 1.00 64.52 C ATOM 78 CD GLU A 7 8.383 11.194 2.247 1.00 14.51 C ATOM 79 OE1 GLU A 7 9.316 10.518 1.765 1.00 23.55 O ATOM 80 OE2 GLU A 7 8.325 12.439 2.160 1.00 20.52 O ATOM 0 HA GLU A 7 4.063 9.672 2.170 1.00 51.24 H new ATOM 0 HB2 GLU A 7 6.605 9.174 1.409 1.00 24.41 H new ATOM 0 HB3 GLU A 7 5.889 10.773 1.370 1.00 24.41 H new ATOM 0 HG2 GLU A 7 6.822 11.142 3.707 1.00 64.52 H new ATOM 0 HG3 GLU A 7 7.688 9.629 3.528 1.00 64.52 H new ATOM 85 N VAL A 8 4.059 7.213 2.318 1.00 63.14 N ATOM 86 CA VAL A 8 4.027 5.756 2.368 1.00 24.45 C ATOM 87 C VAL A 8 4.591 5.150 1.088 1.00 64.10 C ATOM 88 O VAL A 8 4.122 5.445 -0.012 1.00 73.43 O ATOM 89 CB VAL A 8 2.593 5.233 2.581 1.00 44.33 C ATOM 90 CG1 VAL A 8 1.858 5.131 1.254 1.00 35.23 C ATOM 91 CG2 VAL A 8 2.617 3.889 3.292 1.00 50.32 C ATOM 0 H VAL A 8 3.275 7.635 1.820 1.00 63.14 H new ATOM 0 HA VAL A 8 4.646 5.455 3.213 1.00 24.45 H new ATOM 0 HB VAL A 8 2.056 5.942 3.211 1.00 44.33 H new ATOM 0 HG11 VAL A 8 0.848 4.760 1.425 1.00 35.23 H new ATOM 0 HG12 VAL A 8 1.809 6.115 0.789 1.00 35.23 H new ATOM 0 HG13 VAL A 8 2.390 4.444 0.595 1.00 35.23 H new ATOM 0 HG21 VAL A 8 1.596 3.534 3.434 1.00 50.32 H new ATOM 0 HG22 VAL A 8 3.171 3.169 2.690 1.00 50.32 H new ATOM 0 HG23 VAL A 8 3.101 3.999 4.262 1.00 50.32 H new ATOM 101 N THR A 9 5.602 4.300 1.239 1.00 15.45 N ATOM 102 CA THR A 9 6.233 3.652 0.095 1.00 5.13 C ATOM 103 C THR A 9 6.260 2.137 0.267 1.00 44.31 C ATOM 104 O THR A 9 6.341 1.632 1.386 1.00 1.11 O ATOM 105 CB THR A 9 7.671 4.159 -0.116 1.00 1.30 C ATOM 106 OG1 THR A 9 8.441 3.956 1.074 1.00 31.10 O ATOM 107 CG2 THR A 9 7.676 5.636 -0.483 1.00 11.03 C ATOM 0 H THR A 9 6.001 4.044 2.142 1.00 15.45 H new ATOM 0 HA THR A 9 5.635 3.905 -0.780 1.00 5.13 H new ATOM 0 HB THR A 9 8.115 3.595 -0.937 1.00 1.30 H new ATOM 0 HG1 THR A 9 9.355 4.279 0.931 1.00 31.10 H new ATOM 0 HG21 THR A 9 8.703 5.972 -0.627 1.00 11.03 H new ATOM 0 HG22 THR A 9 7.113 5.784 -1.405 1.00 11.03 H new ATOM 0 HG23 THR A 9 7.215 6.212 0.320 1.00 11.03 H new ATOM 115 N MET A 10 6.192 1.419 -0.849 1.00 64.35 N ATOM 116 CA MET A 10 6.211 -0.039 -0.819 1.00 34.22 C ATOM 117 C MET A 10 7.539 -0.576 -1.345 1.00 32.44 C ATOM 118 O MET A 10 8.066 -0.087 -2.345 1.00 0.43 O ATOM 119 CB MET A 10 5.056 -0.602 -1.649 1.00 20.33 C ATOM 120 CG MET A 10 3.684 -0.244 -1.101 1.00 1.44 C ATOM 121 SD MET A 10 3.365 1.530 -1.135 1.00 44.34 S ATOM 122 CE MET A 10 3.515 1.934 0.605 1.00 24.05 C ATOM 0 H MET A 10 6.123 1.822 -1.784 1.00 64.35 H new ATOM 0 HA MET A 10 6.094 -0.358 0.217 1.00 34.22 H new ATOM 0 HB2 MET A 10 5.139 -0.231 -2.671 1.00 20.33 H new ATOM 0 HB3 MET A 10 5.148 -1.687 -1.696 1.00 20.33 H new ATOM 0 HG2 MET A 10 2.919 -0.758 -1.683 1.00 1.44 H new ATOM 0 HG3 MET A 10 3.601 -0.605 -0.076 1.00 1.44 H new ATOM 0 HE1 MET A 10 3.856 2.964 0.711 1.00 24.05 H new ATOM 0 HE2 MET A 10 2.545 1.821 1.090 1.00 24.05 H new ATOM 0 HE3 MET A 10 4.235 1.263 1.073 1.00 24.05 H new ATOM 130 N LYS A 11 8.074 -1.585 -0.666 1.00 35.02 N ATOM 131 CA LYS A 11 9.341 -2.189 -1.065 1.00 22.34 C ATOM 132 C LYS A 11 9.145 -3.649 -1.459 1.00 30.43 C ATOM 133 O LYS A 11 8.758 -4.479 -0.637 1.00 21.45 O ATOM 134 CB LYS A 11 10.358 -2.089 0.074 1.00 34.03 C ATOM 135 CG LYS A 11 10.759 -0.662 0.406 1.00 74.13 C ATOM 136 CD LYS A 11 12.200 -0.382 0.014 1.00 70.31 C ATOM 137 CE LYS A 11 12.365 1.027 -0.532 1.00 11.52 C ATOM 138 NZ LYS A 11 12.526 1.034 -2.013 1.00 23.10 N ATOM 0 H LYS A 11 7.651 -2.002 0.163 1.00 35.02 H new ATOM 0 HA LYS A 11 9.719 -1.644 -1.930 1.00 22.34 H new ATOM 0 HB2 LYS A 11 9.940 -2.557 0.965 1.00 34.03 H new ATOM 0 HB3 LYS A 11 11.250 -2.655 -0.195 1.00 34.03 H new ATOM 0 HG2 LYS A 11 10.098 0.033 -0.113 1.00 74.13 H new ATOM 0 HG3 LYS A 11 10.631 -0.486 1.474 1.00 74.13 H new ATOM 0 HD2 LYS A 11 12.847 -0.515 0.881 1.00 70.31 H new ATOM 0 HD3 LYS A 11 12.521 -1.104 -0.737 1.00 70.31 H new ATOM 0 HE2 LYS A 11 11.497 1.626 -0.258 1.00 11.52 H new ATOM 0 HE3 LYS A 11 13.234 1.496 -0.070 1.00 11.52 H new ATOM 0 HZ1 LYS A 11 12.636 2.013 -2.346 1.00 23.10 H new ATOM 0 HZ2 LYS A 11 13.369 0.484 -2.273 1.00 23.10 H new ATOM 0 HZ3 LYS A 11 11.686 0.610 -2.456 1.00 23.10 H new ATOM 148 N LYS A 12 9.417 -3.958 -2.723 1.00 50.40 N ATOM 149 CA LYS A 12 9.275 -5.318 -3.227 1.00 33.21 C ATOM 150 C LYS A 12 9.750 -6.334 -2.193 1.00 11.01 C ATOM 151 O LYS A 12 10.941 -6.420 -1.894 1.00 23.31 O ATOM 152 CB LYS A 12 10.066 -5.489 -4.526 1.00 43.54 C ATOM 153 CG LYS A 12 9.575 -6.637 -5.391 1.00 54.44 C ATOM 154 CD LYS A 12 9.552 -6.256 -6.862 1.00 72.54 C ATOM 155 CE LYS A 12 10.949 -6.274 -7.464 1.00 54.23 C ATOM 156 NZ LYS A 12 11.634 -4.960 -7.312 1.00 54.14 N ATOM 0 H LYS A 12 9.737 -3.283 -3.417 1.00 50.40 H new ATOM 0 HA LYS A 12 8.218 -5.495 -3.427 1.00 33.21 H new ATOM 0 HB2 LYS A 12 10.011 -4.564 -5.100 1.00 43.54 H new ATOM 0 HB3 LYS A 12 11.116 -5.651 -4.283 1.00 43.54 H new ATOM 0 HG2 LYS A 12 10.221 -7.503 -5.249 1.00 54.44 H new ATOM 0 HG3 LYS A 12 8.574 -6.930 -5.074 1.00 54.44 H new ATOM 0 HD2 LYS A 12 8.910 -6.947 -7.408 1.00 72.54 H new ATOM 0 HD3 LYS A 12 9.119 -5.262 -6.975 1.00 72.54 H new ATOM 0 HE2 LYS A 12 11.542 -7.051 -6.982 1.00 54.23 H new ATOM 0 HE3 LYS A 12 10.886 -6.531 -8.521 1.00 54.23 H new ATOM 0 HZ1 LYS A 12 12.441 -4.911 -7.966 1.00 54.14 H new ATOM 0 HZ2 LYS A 12 10.966 -4.193 -7.529 1.00 54.14 H new ATOM 0 HZ3 LYS A 12 11.974 -4.857 -6.335 1.00 54.14 H new ATOM 166 N GLY A 13 8.811 -7.104 -1.651 1.00 3.00 N ATOM 167 CA GLY A 13 9.154 -8.105 -0.658 1.00 41.45 C ATOM 168 C GLY A 13 8.977 -7.599 0.761 1.00 10.24 C ATOM 169 O GLY A 13 9.678 -8.034 1.674 1.00 22.12 O ATOM 0 H GLY A 13 7.819 -7.052 -1.882 1.00 3.00 H new ATOM 0 HA2 GLY A 13 8.532 -8.987 -0.806 1.00 41.45 H new ATOM 0 HA3 GLY A 13 10.188 -8.417 -0.803 1.00 41.45 H new ATOM 173 N ASP A 14 8.040 -6.675 0.944 1.00 62.05 N ATOM 174 CA ASP A 14 7.774 -6.109 2.261 1.00 42.43 C ATOM 175 C ASP A 14 6.348 -6.418 2.709 1.00 35.35 C ATOM 176 O ASP A 14 5.483 -6.725 1.887 1.00 45.54 O ATOM 177 CB ASP A 14 7.998 -4.595 2.244 1.00 72.44 C ATOM 178 CG ASP A 14 8.342 -4.046 3.614 1.00 3.41 C ATOM 179 OD1 ASP A 14 7.770 -4.534 4.611 1.00 43.12 O ATOM 180 OD2 ASP A 14 9.183 -3.126 3.690 1.00 54.51 O ATOM 0 H ASP A 14 7.453 -6.303 0.198 1.00 62.05 H new ATOM 0 HA ASP A 14 8.465 -6.564 2.970 1.00 42.43 H new ATOM 0 HB2 ASP A 14 8.802 -4.357 1.548 1.00 72.44 H new ATOM 0 HB3 ASP A 14 7.100 -4.102 1.873 1.00 72.44 H new ATOM 184 N ILE A 15 6.112 -6.338 4.013 1.00 54.53 N ATOM 185 CA ILE A 15 4.793 -6.609 4.569 1.00 11.05 C ATOM 186 C ILE A 15 4.175 -5.347 5.160 1.00 24.11 C ATOM 187 O ILE A 15 4.486 -4.959 6.287 1.00 41.34 O ATOM 188 CB ILE A 15 4.853 -7.696 5.657 1.00 71.35 C ATOM 189 CG1 ILE A 15 5.409 -8.999 5.079 1.00 12.21 C ATOM 190 CG2 ILE A 15 3.473 -7.924 6.256 1.00 51.31 C ATOM 191 CD1 ILE A 15 5.866 -9.982 6.133 1.00 35.51 C ATOM 0 H ILE A 15 6.818 -6.087 4.705 1.00 54.53 H new ATOM 0 HA ILE A 15 4.171 -6.964 3.747 1.00 11.05 H new ATOM 0 HB ILE A 15 5.521 -7.358 6.449 1.00 71.35 H new ATOM 0 HG12 ILE A 15 4.643 -9.470 4.463 1.00 12.21 H new ATOM 0 HG13 ILE A 15 6.248 -8.767 4.423 1.00 12.21 H new ATOM 0 HG21 ILE A 15 3.533 -8.696 7.024 1.00 51.31 H new ATOM 0 HG22 ILE A 15 3.112 -6.997 6.701 1.00 51.31 H new ATOM 0 HG23 ILE A 15 2.785 -8.243 5.473 1.00 51.31 H new ATOM 0 HD11 ILE A 15 6.248 -10.882 5.650 1.00 35.51 H new ATOM 0 HD12 ILE A 15 6.655 -9.530 6.734 1.00 35.51 H new ATOM 0 HD13 ILE A 15 5.025 -10.244 6.775 1.00 35.51 H new ATOM 202 N LEU A 16 3.296 -4.710 4.394 1.00 23.32 N ATOM 203 CA LEU A 16 2.631 -3.492 4.843 1.00 4.32 C ATOM 204 C LEU A 16 1.231 -3.796 5.366 1.00 62.10 C ATOM 205 O LEU A 16 0.401 -4.367 4.657 1.00 74.45 O ATOM 206 CB LEU A 16 2.551 -2.480 3.698 1.00 74.01 C ATOM 207 CG LEU A 16 3.632 -2.597 2.622 1.00 63.20 C ATOM 208 CD1 LEU A 16 3.065 -3.238 1.364 1.00 5.31 C ATOM 209 CD2 LEU A 16 4.221 -1.230 2.309 1.00 33.33 C ATOM 0 H LEU A 16 3.027 -5.017 3.459 1.00 23.32 H new ATOM 0 HA LEU A 16 3.218 -3.066 5.657 1.00 4.32 H new ATOM 0 HB2 LEU A 16 1.577 -2.580 3.219 1.00 74.01 H new ATOM 0 HB3 LEU A 16 2.596 -1.477 4.122 1.00 74.01 H new ATOM 0 HG LEU A 16 4.430 -3.235 3.001 1.00 63.20 H new ATOM 0 HD11 LEU A 16 3.848 -3.313 0.609 1.00 5.31 H new ATOM 0 HD12 LEU A 16 2.692 -4.234 1.600 1.00 5.31 H new ATOM 0 HD13 LEU A 16 2.249 -2.626 0.980 1.00 5.31 H new ATOM 0 HD21 LEU A 16 4.988 -1.332 1.542 1.00 33.33 H new ATOM 0 HD22 LEU A 16 3.433 -0.568 1.949 1.00 33.33 H new ATOM 0 HD23 LEU A 16 4.664 -0.809 3.212 1.00 33.33 H new ATOM 220 N THR A 17 0.972 -3.409 6.611 1.00 54.13 N ATOM 221 CA THR A 17 -0.327 -3.639 7.230 1.00 34.11 C ATOM 222 C THR A 17 -1.460 -3.361 6.249 1.00 13.32 C ATOM 223 O THR A 17 -1.531 -2.282 5.658 1.00 20.00 O ATOM 224 CB THR A 17 -0.518 -2.761 8.480 1.00 54.44 C ATOM 225 OG1 THR A 17 0.439 -3.121 9.483 1.00 12.23 O ATOM 226 CG2 THR A 17 -1.925 -2.912 9.037 1.00 45.41 C ATOM 0 H THR A 17 1.646 -2.934 7.211 1.00 54.13 H new ATOM 0 HA THR A 17 -0.355 -4.688 7.525 1.00 34.11 H new ATOM 0 HB THR A 17 -0.368 -1.720 8.192 1.00 54.44 H new ATOM 0 HG1 THR A 17 0.312 -2.557 10.274 1.00 12.23 H new ATOM 0 HG21 THR A 17 -2.036 -2.282 9.920 1.00 45.41 H new ATOM 0 HG22 THR A 17 -2.650 -2.609 8.281 1.00 45.41 H new ATOM 0 HG23 THR A 17 -2.099 -3.953 9.310 1.00 45.41 H new ATOM 234 N LEU A 18 -2.343 -4.337 6.079 1.00 24.43 N ATOM 235 CA LEU A 18 -3.476 -4.196 5.169 1.00 53.33 C ATOM 236 C LEU A 18 -4.463 -3.155 5.686 1.00 42.11 C ATOM 237 O LEU A 18 -5.564 -3.493 6.126 1.00 10.34 O ATOM 238 CB LEU A 18 -4.181 -5.541 4.990 1.00 25.42 C ATOM 239 CG LEU A 18 -5.150 -5.639 3.810 1.00 3.35 C ATOM 240 CD1 LEU A 18 -6.561 -5.277 4.247 1.00 20.30 C ATOM 241 CD2 LEU A 18 -4.695 -4.738 2.671 1.00 44.30 C ATOM 0 H LEU A 18 -2.298 -5.236 6.559 1.00 24.43 H new ATOM 0 HA LEU A 18 -3.096 -3.861 4.204 1.00 53.33 H new ATOM 0 HB2 LEU A 18 -3.421 -6.314 4.876 1.00 25.42 H new ATOM 0 HB3 LEU A 18 -4.730 -5.766 5.905 1.00 25.42 H new ATOM 0 HG LEU A 18 -5.155 -6.669 3.453 1.00 3.35 H new ATOM 0 HD11 LEU A 18 -7.236 -5.352 3.395 1.00 20.30 H new ATOM 0 HD12 LEU A 18 -6.887 -5.962 5.030 1.00 20.30 H new ATOM 0 HD13 LEU A 18 -6.573 -4.257 4.630 1.00 20.30 H new ATOM 0 HD21 LEU A 18 -5.396 -4.820 1.840 1.00 44.30 H new ATOM 0 HD22 LEU A 18 -4.661 -3.705 3.016 1.00 44.30 H new ATOM 0 HD23 LEU A 18 -3.702 -5.043 2.340 1.00 44.30 H new ATOM 252 N LEU A 19 -4.065 -1.889 5.629 1.00 63.42 N ATOM 253 CA LEU A 19 -4.917 -0.798 6.089 1.00 51.15 C ATOM 254 C LEU A 19 -6.250 -0.798 5.350 1.00 31.42 C ATOM 255 O LEU A 19 -6.516 -1.676 4.529 1.00 52.31 O ATOM 256 CB LEU A 19 -4.210 0.545 5.890 1.00 62.55 C ATOM 257 CG LEU A 19 -3.437 1.082 7.095 1.00 72.35 C ATOM 258 CD1 LEU A 19 -2.522 0.008 7.663 1.00 60.45 C ATOM 259 CD2 LEU A 19 -2.636 2.316 6.707 1.00 44.31 C ATOM 0 H LEU A 19 -3.158 -1.593 5.269 1.00 63.42 H new ATOM 0 HA LEU A 19 -5.113 -0.946 7.151 1.00 51.15 H new ATOM 0 HB2 LEU A 19 -3.518 0.448 5.054 1.00 62.55 H new ATOM 0 HB3 LEU A 19 -4.956 1.286 5.602 1.00 62.55 H new ATOM 0 HG LEU A 19 -4.154 1.366 7.866 1.00 72.35 H new ATOM 0 HD11 LEU A 19 -1.980 0.408 8.520 1.00 60.45 H new ATOM 0 HD12 LEU A 19 -3.118 -0.848 7.978 1.00 60.45 H new ATOM 0 HD13 LEU A 19 -1.811 -0.306 6.898 1.00 60.45 H new ATOM 0 HD21 LEU A 19 -2.092 2.685 7.577 1.00 44.31 H new ATOM 0 HD22 LEU A 19 -1.928 2.058 5.919 1.00 44.31 H new ATOM 0 HD23 LEU A 19 -3.313 3.091 6.347 1.00 44.31 H new ATOM 270 N ASN A 20 -7.085 0.193 5.646 1.00 32.24 N ATOM 271 CA ASN A 20 -8.391 0.307 5.007 1.00 22.32 C ATOM 272 C ASN A 20 -8.291 0.033 3.510 1.00 30.23 C ATOM 273 O ASN A 20 -7.822 0.874 2.744 1.00 1.42 O ATOM 274 CB ASN A 20 -8.977 1.701 5.244 1.00 63.20 C ATOM 275 CG ASN A 20 -10.295 1.654 5.995 1.00 14.04 C ATOM 276 OD1 ASN A 20 -10.322 1.691 7.224 1.00 44.45 O ATOM 277 ND2 ASN A 20 -11.394 1.573 5.254 1.00 71.32 N ATOM 0 H ASN A 20 -6.881 0.928 6.323 1.00 32.24 H new ATOM 0 HA ASN A 20 -9.051 -0.438 5.451 1.00 22.32 H new ATOM 0 HB2 ASN A 20 -8.262 2.302 5.807 1.00 63.20 H new ATOM 0 HB3 ASN A 20 -9.126 2.198 4.285 1.00 63.20 H new ATOM 0 HD21 ASN A 20 -12.310 1.539 5.702 1.00 71.32 H new ATOM 0 HD22 ASN A 20 -11.322 1.545 4.237 1.00 71.32 H new ATOM 283 N SER A 21 -8.736 -1.151 3.099 1.00 50.50 N ATOM 284 CA SER A 21 -8.694 -1.538 1.694 1.00 51.10 C ATOM 285 C SER A 21 -10.008 -1.198 0.997 1.00 62.51 C ATOM 286 O SER A 21 -10.289 -1.686 -0.098 1.00 71.22 O ATOM 287 CB SER A 21 -8.407 -3.035 1.564 1.00 72.13 C ATOM 288 OG SER A 21 -9.159 -3.782 2.505 1.00 14.33 O ATOM 0 H SER A 21 -9.130 -1.858 3.720 1.00 50.50 H new ATOM 0 HA SER A 21 -7.892 -0.978 1.212 1.00 51.10 H new ATOM 0 HB2 SER A 21 -8.648 -3.368 0.555 1.00 72.13 H new ATOM 0 HB3 SER A 21 -7.343 -3.219 1.715 1.00 72.13 H new ATOM 0 HG SER A 21 -9.084 -4.737 2.299 1.00 14.33 H new ATOM 293 N THR A 22 -10.812 -0.357 1.641 1.00 31.20 N ATOM 294 CA THR A 22 -12.097 0.048 1.085 1.00 51.45 C ATOM 295 C THR A 22 -12.034 0.141 -0.435 1.00 21.11 C ATOM 296 O THR A 22 -12.841 -0.467 -1.137 1.00 74.11 O ATOM 297 CB THR A 22 -12.551 1.406 1.653 1.00 1.24 C ATOM 298 OG1 THR A 22 -13.643 1.919 0.881 1.00 63.10 O ATOM 299 CG2 THR A 22 -11.404 2.406 1.645 1.00 45.20 C ATOM 0 H THR A 22 -10.596 0.057 2.548 1.00 31.20 H new ATOM 0 HA THR A 22 -12.820 -0.717 1.369 1.00 51.45 H new ATOM 0 HB THR A 22 -12.874 1.255 2.683 1.00 1.24 H new ATOM 0 HG1 THR A 22 -13.927 2.782 1.249 1.00 63.10 H new ATOM 0 HG21 THR A 22 -11.748 3.358 2.050 1.00 45.20 H new ATOM 0 HG22 THR A 22 -10.586 2.026 2.256 1.00 45.20 H new ATOM 0 HG23 THR A 22 -11.056 2.552 0.623 1.00 45.20 H new ATOM 307 N ASN A 23 -11.069 0.905 -0.938 1.00 64.41 N ATOM 308 CA ASN A 23 -10.902 1.077 -2.376 1.00 71.13 C ATOM 309 C ASN A 23 -10.543 -0.247 -3.043 1.00 22.03 C ATOM 310 O ASN A 23 -9.958 -1.133 -2.419 1.00 12.52 O ATOM 311 CB ASN A 23 -9.817 2.116 -2.663 1.00 33.23 C ATOM 312 CG ASN A 23 -10.394 3.463 -3.053 1.00 41.43 C ATOM 313 OD1 ASN A 23 -11.027 4.138 -2.241 1.00 3.02 O ATOM 314 ND2 ASN A 23 -10.179 3.860 -4.301 1.00 15.33 N ATOM 0 H ASN A 23 -10.391 1.414 -0.371 1.00 64.41 H new ATOM 0 HA ASN A 23 -11.849 1.427 -2.788 1.00 71.13 H new ATOM 0 HB2 ASN A 23 -9.189 2.235 -1.780 1.00 33.23 H new ATOM 0 HB3 ASN A 23 -9.174 1.754 -3.465 1.00 33.23 H new ATOM 0 HD21 ASN A 23 -10.544 4.757 -4.621 1.00 15.33 H new ATOM 0 HD22 ASN A 23 -9.649 3.268 -4.940 1.00 15.33 H new ATOM 320 N LYS A 24 -10.899 -0.377 -4.318 1.00 52.43 N ATOM 321 CA LYS A 24 -10.613 -1.591 -5.072 1.00 12.23 C ATOM 322 C LYS A 24 -9.274 -1.480 -5.794 1.00 70.54 C ATOM 323 O LYS A 24 -8.363 -2.273 -5.555 1.00 54.54 O ATOM 324 CB LYS A 24 -11.729 -1.861 -6.084 1.00 2.35 C ATOM 325 CG LYS A 24 -12.668 -2.981 -5.669 1.00 22.13 C ATOM 326 CD LYS A 24 -13.420 -3.547 -6.862 1.00 35.31 C ATOM 327 CE LYS A 24 -12.924 -4.940 -7.223 1.00 41.41 C ATOM 328 NZ LYS A 24 -13.657 -5.505 -8.389 1.00 5.24 N ATOM 0 H LYS A 24 -11.386 0.344 -4.850 1.00 52.43 H new ATOM 0 HA LYS A 24 -10.559 -2.422 -4.369 1.00 12.23 H new ATOM 0 HB2 LYS A 24 -12.307 -0.948 -6.227 1.00 2.35 H new ATOM 0 HB3 LYS A 24 -11.283 -2.110 -7.047 1.00 2.35 H new ATOM 0 HG2 LYS A 24 -12.098 -3.775 -5.186 1.00 22.13 H new ATOM 0 HG3 LYS A 24 -13.380 -2.607 -4.933 1.00 22.13 H new ATOM 0 HD2 LYS A 24 -14.486 -3.586 -6.637 1.00 35.31 H new ATOM 0 HD3 LYS A 24 -13.299 -2.883 -7.718 1.00 35.31 H new ATOM 0 HE2 LYS A 24 -11.859 -4.899 -7.449 1.00 41.41 H new ATOM 0 HE3 LYS A 24 -13.042 -5.601 -6.365 1.00 41.41 H new ATOM 0 HZ1 LYS A 24 -13.290 -6.454 -8.603 1.00 5.24 H new ATOM 0 HZ2 LYS A 24 -14.670 -5.568 -8.164 1.00 5.24 H new ATOM 0 HZ3 LYS A 24 -13.523 -4.888 -9.215 1.00 5.24 H new ATOM 338 N ASP A 25 -9.162 -0.494 -6.677 1.00 63.45 N ATOM 339 CA ASP A 25 -7.933 -0.280 -7.432 1.00 44.23 C ATOM 340 C ASP A 25 -6.839 0.292 -6.536 1.00 55.21 C ATOM 341 O ASP A 25 -5.686 0.417 -6.951 1.00 62.14 O ATOM 342 CB ASP A 25 -8.190 0.663 -8.608 1.00 32.23 C ATOM 343 CG ASP A 25 -9.413 0.266 -9.411 1.00 31.40 C ATOM 344 OD1 ASP A 25 -10.463 -0.014 -8.795 1.00 54.41 O ATOM 345 OD2 ASP A 25 -9.321 0.236 -10.656 1.00 74.32 O ATOM 0 H ASP A 25 -9.907 0.170 -6.888 1.00 63.45 H new ATOM 0 HA ASP A 25 -7.598 -1.244 -7.815 1.00 44.23 H new ATOM 0 HB2 ASP A 25 -8.318 1.679 -8.234 1.00 32.23 H new ATOM 0 HB3 ASP A 25 -7.317 0.671 -9.261 1.00 32.23 H new ATOM 349 N TRP A 26 -7.207 0.638 -5.307 1.00 33.22 N ATOM 350 CA TRP A 26 -6.256 1.197 -4.354 1.00 61.24 C ATOM 351 C TRP A 26 -6.480 0.622 -2.960 1.00 61.22 C ATOM 352 O TRP A 26 -7.570 0.739 -2.399 1.00 61.03 O ATOM 353 CB TRP A 26 -6.377 2.722 -4.315 1.00 31.32 C ATOM 354 CG TRP A 26 -5.904 3.387 -5.572 1.00 14.23 C ATOM 355 CD1 TRP A 26 -6.593 3.511 -6.744 1.00 71.32 C ATOM 356 CD2 TRP A 26 -4.636 4.017 -5.782 1.00 14.11 C ATOM 357 NE1 TRP A 26 -5.830 4.180 -7.670 1.00 53.41 N ATOM 358 CE2 TRP A 26 -4.625 4.503 -7.104 1.00 50.30 C ATOM 359 CE3 TRP A 26 -3.509 4.221 -4.981 1.00 53.53 C ATOM 360 CZ2 TRP A 26 -3.532 5.177 -7.641 1.00 51.13 C ATOM 361 CZ3 TRP A 26 -2.424 4.890 -5.516 1.00 44.32 C ATOM 362 CH2 TRP A 26 -2.442 5.362 -6.835 1.00 54.34 C ATOM 0 H TRP A 26 -8.157 0.541 -4.948 1.00 33.22 H new ATOM 0 HA TRP A 26 -5.252 0.927 -4.681 1.00 61.24 H new ATOM 0 HB2 TRP A 26 -7.418 2.992 -4.139 1.00 31.32 H new ATOM 0 HB3 TRP A 26 -5.801 3.104 -3.472 1.00 31.32 H new ATOM 0 HD1 TRP A 26 -7.591 3.138 -6.918 1.00 71.32 H new ATOM 0 HE1 TRP A 26 -6.115 4.401 -8.624 1.00 53.41 H new ATOM 0 HE3 TRP A 26 -3.486 3.862 -3.963 1.00 53.53 H new ATOM 0 HZ2 TRP A 26 -3.544 5.541 -8.658 1.00 51.13 H new ATOM 0 HZ3 TRP A 26 -1.547 5.052 -4.907 1.00 44.32 H new ATOM 0 HH2 TRP A 26 -1.579 5.882 -7.223 1.00 54.34 H new ATOM 372 N TRP A 27 -5.445 0.001 -2.406 1.00 0.34 N ATOM 373 CA TRP A 27 -5.530 -0.592 -1.077 1.00 64.33 C ATOM 374 C TRP A 27 -4.639 0.154 -0.089 1.00 23.43 C ATOM 375 O TRP A 27 -3.416 0.164 -0.227 1.00 0.11 O ATOM 376 CB TRP A 27 -5.133 -2.068 -1.128 1.00 55.14 C ATOM 377 CG TRP A 27 -6.304 -2.995 -1.250 1.00 41.04 C ATOM 378 CD1 TRP A 27 -7.577 -2.664 -1.615 1.00 15.13 C ATOM 379 CD2 TRP A 27 -6.309 -4.406 -1.004 1.00 42.42 C ATOM 380 NE1 TRP A 27 -8.374 -3.783 -1.612 1.00 4.41 N ATOM 381 CE2 TRP A 27 -7.620 -4.865 -1.240 1.00 10.31 C ATOM 382 CE3 TRP A 27 -5.335 -5.326 -0.608 1.00 0.20 C ATOM 383 CZ2 TRP A 27 -7.978 -6.202 -1.093 1.00 32.34 C ATOM 384 CZ3 TRP A 27 -5.691 -6.652 -0.462 1.00 60.51 C ATOM 385 CH2 TRP A 27 -7.004 -7.081 -0.705 1.00 73.24 C ATOM 0 H TRP A 27 -4.536 -0.105 -2.857 1.00 0.34 H new ATOM 0 HA TRP A 27 -6.562 -0.513 -0.737 1.00 64.33 H new ATOM 0 HB2 TRP A 27 -4.463 -2.227 -1.973 1.00 55.14 H new ATOM 0 HB3 TRP A 27 -4.574 -2.318 -0.226 1.00 55.14 H new ATOM 0 HD1 TRP A 27 -7.909 -1.668 -1.869 1.00 15.13 H new ATOM 0 HE1 TRP A 27 -9.366 -3.805 -1.848 1.00 4.41 H new ATOM 0 HE3 TRP A 27 -4.321 -5.005 -0.419 1.00 0.20 H new ATOM 0 HZ2 TRP A 27 -8.989 -6.534 -1.279 1.00 32.34 H new ATOM 0 HZ3 TRP A 27 -4.946 -7.371 -0.155 1.00 60.51 H new ATOM 0 HH2 TRP A 27 -7.251 -8.125 -0.583 1.00 73.24 H new ATOM 395 N LYS A 28 -5.261 0.777 0.906 1.00 52.11 N ATOM 396 CA LYS A 28 -4.524 1.525 1.919 1.00 34.30 C ATOM 397 C LYS A 28 -3.587 0.607 2.698 1.00 74.13 C ATOM 398 O LYS A 28 -3.982 -0.473 3.138 1.00 4.52 O ATOM 399 CB LYS A 28 -5.495 2.215 2.880 1.00 74.43 C ATOM 400 CG LYS A 28 -4.925 3.465 3.526 1.00 41.24 C ATOM 401 CD LYS A 28 -5.739 3.888 4.737 1.00 63.42 C ATOM 402 CE LYS A 28 -5.339 5.272 5.223 1.00 51.24 C ATOM 403 NZ LYS A 28 -6.404 5.898 6.054 1.00 53.24 N ATOM 0 H LYS A 28 -6.273 0.779 1.033 1.00 52.11 H new ATOM 0 HA LYS A 28 -3.925 2.282 1.412 1.00 34.30 H new ATOM 0 HB2 LYS A 28 -6.404 2.478 2.338 1.00 74.43 H new ATOM 0 HB3 LYS A 28 -5.782 1.511 3.661 1.00 74.43 H new ATOM 0 HG2 LYS A 28 -3.893 3.282 3.826 1.00 41.24 H new ATOM 0 HG3 LYS A 28 -4.906 4.276 2.798 1.00 41.24 H new ATOM 0 HD2 LYS A 28 -6.799 3.883 4.484 1.00 63.42 H new ATOM 0 HD3 LYS A 28 -5.600 3.165 5.541 1.00 63.42 H new ATOM 0 HE2 LYS A 28 -4.420 5.201 5.804 1.00 51.24 H new ATOM 0 HE3 LYS A 28 -5.125 5.910 4.366 1.00 51.24 H new ATOM 0 HZ1 LYS A 28 -6.092 6.840 6.366 1.00 53.24 H new ATOM 0 HZ2 LYS A 28 -7.274 5.989 5.492 1.00 53.24 H new ATOM 0 HZ3 LYS A 28 -6.590 5.302 6.886 1.00 53.24 H new ATOM 413 N VAL A 29 -2.342 1.045 2.867 1.00 24.11 N ATOM 414 CA VAL A 29 -1.350 0.264 3.595 1.00 71.40 C ATOM 415 C VAL A 29 -0.412 1.169 4.386 1.00 63.42 C ATOM 416 O VAL A 29 -0.005 2.227 3.908 1.00 42.33 O ATOM 417 CB VAL A 29 -0.516 -0.613 2.642 1.00 62.25 C ATOM 418 CG1 VAL A 29 -1.424 -1.456 1.760 1.00 65.10 C ATOM 419 CG2 VAL A 29 0.410 0.249 1.800 1.00 13.15 C ATOM 0 H VAL A 29 -1.998 1.936 2.509 1.00 24.11 H new ATOM 0 HA VAL A 29 -1.897 -0.380 4.284 1.00 71.40 H new ATOM 0 HB VAL A 29 0.097 -1.288 3.239 1.00 62.25 H new ATOM 0 HG11 VAL A 29 -0.817 -2.069 1.094 1.00 65.10 H new ATOM 0 HG12 VAL A 29 -2.041 -2.101 2.385 1.00 65.10 H new ATOM 0 HG13 VAL A 29 -2.065 -0.803 1.168 1.00 65.10 H new ATOM 0 HG21 VAL A 29 0.992 -0.387 1.132 1.00 13.15 H new ATOM 0 HG22 VAL A 29 -0.181 0.950 1.210 1.00 13.15 H new ATOM 0 HG23 VAL A 29 1.085 0.803 2.453 1.00 13.15 H new ATOM 429 N GLU A 30 -0.072 0.744 5.599 1.00 64.21 N ATOM 430 CA GLU A 30 0.818 1.517 6.457 1.00 44.04 C ATOM 431 C GLU A 30 2.272 1.105 6.244 1.00 3.52 C ATOM 432 O GLU A 30 2.553 0.035 5.704 1.00 62.05 O ATOM 433 CB GLU A 30 0.434 1.332 7.927 1.00 0.13 C ATOM 434 CG GLU A 30 1.533 1.730 8.897 1.00 42.14 C ATOM 435 CD GLU A 30 1.081 1.679 10.344 1.00 23.12 C ATOM 436 OE1 GLU A 30 0.330 0.747 10.700 1.00 34.14 O ATOM 437 OE2 GLU A 30 1.477 2.574 11.121 1.00 74.25 O ATOM 0 H GLU A 30 -0.399 -0.131 6.009 1.00 64.21 H new ATOM 0 HA GLU A 30 0.714 2.569 6.192 1.00 44.04 H new ATOM 0 HB2 GLU A 30 -0.457 1.923 8.138 1.00 0.13 H new ATOM 0 HB3 GLU A 30 0.172 0.288 8.097 1.00 0.13 H new ATOM 0 HG2 GLU A 30 2.388 1.067 8.764 1.00 42.14 H new ATOM 0 HG3 GLU A 30 1.872 2.739 8.662 1.00 42.14 H new ATOM 442 N VAL A 31 3.192 1.964 6.672 1.00 35.25 N ATOM 443 CA VAL A 31 4.617 1.691 6.528 1.00 50.20 C ATOM 444 C VAL A 31 5.391 2.145 7.761 1.00 3.23 C ATOM 445 O VAL A 31 5.904 3.263 7.807 1.00 4.41 O ATOM 446 CB VAL A 31 5.200 2.387 5.284 1.00 55.02 C ATOM 447 CG1 VAL A 31 6.721 2.383 5.332 1.00 45.05 C ATOM 448 CG2 VAL A 31 4.697 1.718 4.015 1.00 35.05 C ATOM 0 H VAL A 31 2.976 2.854 7.121 1.00 35.25 H new ATOM 0 HA VAL A 31 4.722 0.612 6.413 1.00 50.20 H new ATOM 0 HB VAL A 31 4.864 3.424 5.279 1.00 55.02 H new ATOM 0 HG11 VAL A 31 7.114 2.879 4.445 1.00 45.05 H new ATOM 0 HG12 VAL A 31 7.058 2.912 6.223 1.00 45.05 H new ATOM 0 HG13 VAL A 31 7.081 1.355 5.363 1.00 45.05 H new ATOM 0 HG21 VAL A 31 5.119 2.223 3.146 1.00 35.05 H new ATOM 0 HG22 VAL A 31 5.001 0.671 4.010 1.00 35.05 H new ATOM 0 HG23 VAL A 31 3.609 1.780 3.978 1.00 35.05 H new ATOM 458 N ASN A 32 5.471 1.271 8.758 1.00 4.12 N ATOM 459 CA ASN A 32 6.182 1.583 9.992 1.00 61.10 C ATOM 460 C ASN A 32 5.497 2.720 10.744 1.00 25.53 C ATOM 461 O ASN A 32 4.856 2.501 11.772 1.00 71.22 O ATOM 462 CB ASN A 32 7.633 1.960 9.688 1.00 42.31 C ATOM 463 CG ASN A 32 8.391 0.840 9.003 1.00 22.44 C ATOM 464 OD1 ASN A 32 9.564 0.601 9.291 1.00 3.33 O ATOM 465 ND2 ASN A 32 7.721 0.146 8.088 1.00 54.14 N ATOM 0 H ASN A 32 5.052 0.341 8.736 1.00 4.12 H new ATOM 0 HA ASN A 32 6.168 0.694 10.623 1.00 61.10 H new ATOM 0 HB2 ASN A 32 7.650 2.847 9.054 1.00 42.31 H new ATOM 0 HB3 ASN A 32 8.139 2.222 10.617 1.00 42.31 H new ATOM 0 HD21 ASN A 32 8.178 -0.620 7.593 1.00 54.14 H new ATOM 0 HD22 ASN A 32 6.750 0.379 7.881 1.00 54.14 H new ATOM 471 N ASP A 33 5.632 3.934 10.221 1.00 72.13 N ATOM 472 CA ASP A 33 5.024 5.105 10.841 1.00 34.32 C ATOM 473 C ASP A 33 4.355 5.989 9.792 1.00 21.50 C ATOM 474 O ASP A 33 3.777 7.024 10.118 1.00 4.44 O ATOM 475 CB ASP A 33 6.078 5.909 11.605 1.00 64.32 C ATOM 476 CG ASP A 33 5.771 6.002 13.088 1.00 34.31 C ATOM 477 OD1 ASP A 33 6.077 5.036 13.819 1.00 41.21 O ATOM 478 OD2 ASP A 33 5.226 7.040 13.516 1.00 71.22 O ATOM 0 H ASP A 33 6.157 4.132 9.369 1.00 72.13 H new ATOM 0 HA ASP A 33 4.262 4.761 11.541 1.00 34.32 H new ATOM 0 HB2 ASP A 33 7.055 5.446 11.467 1.00 64.32 H new ATOM 0 HB3 ASP A 33 6.140 6.913 11.186 1.00 64.32 H new ATOM 482 N ARG A 34 4.440 5.572 8.534 1.00 32.23 N ATOM 483 CA ARG A 34 3.845 6.326 7.436 1.00 65.14 C ATOM 484 C ARG A 34 2.827 5.477 6.682 1.00 24.43 C ATOM 485 O ARG A 34 3.133 4.370 6.242 1.00 34.54 O ATOM 486 CB ARG A 34 4.931 6.813 6.476 1.00 74.31 C ATOM 487 CG ARG A 34 6.333 6.762 7.064 1.00 25.54 C ATOM 488 CD ARG A 34 7.395 6.887 5.984 1.00 31.24 C ATOM 489 NE ARG A 34 8.736 7.014 6.547 1.00 31.32 N ATOM 490 CZ ARG A 34 9.843 6.682 5.891 1.00 2.23 C ATOM 491 NH1 ARG A 34 9.768 6.208 4.655 1.00 31.01 N ATOM 492 NH2 ARG A 34 11.027 6.825 6.471 1.00 52.44 N ATOM 0 H ARG A 34 4.915 4.716 8.249 1.00 32.23 H new ATOM 0 HA ARG A 34 3.330 7.189 7.858 1.00 65.14 H new ATOM 0 HB2 ARG A 34 4.903 6.205 5.571 1.00 74.31 H new ATOM 0 HB3 ARG A 34 4.708 7.838 6.179 1.00 74.31 H new ATOM 0 HG2 ARG A 34 6.454 7.567 7.789 1.00 25.54 H new ATOM 0 HG3 ARG A 34 6.469 5.824 7.603 1.00 25.54 H new ATOM 0 HD2 ARG A 34 7.356 6.013 5.334 1.00 31.24 H new ATOM 0 HD3 ARG A 34 7.179 7.756 5.362 1.00 31.24 H new ATOM 0 HE ARG A 34 8.828 7.377 7.496 1.00 31.32 H new ATOM 0 HH11 ARG A 34 8.859 6.097 4.205 1.00 31.01 H new ATOM 0 HH12 ARG A 34 10.619 5.954 4.154 1.00 31.01 H new ATOM 0 HH21 ARG A 34 11.089 7.190 7.421 1.00 52.44 H new ATOM 0 HH22 ARG A 34 11.876 6.570 5.967 1.00 52.44 H new ATOM 503 N GLN A 35 1.615 6.004 6.538 1.00 34.22 N ATOM 504 CA GLN A 35 0.551 5.292 5.838 1.00 54.20 C ATOM 505 C GLN A 35 0.001 6.131 4.689 1.00 65.05 C ATOM 506 O GLN A 35 0.225 7.339 4.627 1.00 24.22 O ATOM 507 CB GLN A 35 -0.574 4.932 6.808 1.00 4.14 C ATOM 508 CG GLN A 35 -0.226 5.184 8.266 1.00 54.04 C ATOM 509 CD GLN A 35 -1.107 4.403 9.221 1.00 2.44 C ATOM 510 OE1 GLN A 35 -2.329 4.367 9.067 1.00 12.50 O ATOM 511 NE2 GLN A 35 -0.492 3.773 10.215 1.00 1.34 N ATOM 0 H GLN A 35 1.345 6.920 6.896 1.00 34.22 H new ATOM 0 HA GLN A 35 0.971 4.375 5.425 1.00 54.20 H new ATOM 0 HB2 GLN A 35 -1.462 5.509 6.551 1.00 4.14 H new ATOM 0 HB3 GLN A 35 -0.829 3.880 6.681 1.00 4.14 H new ATOM 0 HG2 GLN A 35 0.816 4.916 8.438 1.00 54.04 H new ATOM 0 HG3 GLN A 35 -0.321 6.249 8.479 1.00 54.04 H new ATOM 0 HE21 GLN A 35 0.522 3.830 10.305 1.00 1.34 H new ATOM 0 HE22 GLN A 35 -1.034 3.232 10.889 1.00 1.34 H new ATOM 518 N GLY A 36 -0.721 5.481 3.782 1.00 21.20 N ATOM 519 CA GLY A 36 -1.292 6.183 2.647 1.00 64.42 C ATOM 520 C GLY A 36 -1.965 5.246 1.664 1.00 21.43 C ATOM 521 O GLY A 36 -1.870 4.025 1.795 1.00 13.14 O ATOM 0 H GLY A 36 -0.921 4.481 3.813 1.00 21.20 H new ATOM 0 HA2 GLY A 36 -2.018 6.913 3.004 1.00 64.42 H new ATOM 0 HA3 GLY A 36 -0.506 6.739 2.135 1.00 64.42 H new ATOM 525 N PHE A 37 -2.648 5.816 0.677 1.00 62.50 N ATOM 526 CA PHE A 37 -3.342 5.022 -0.331 1.00 51.33 C ATOM 527 C PHE A 37 -2.375 4.551 -1.412 1.00 13.44 C ATOM 528 O PHE A 37 -1.617 5.345 -1.973 1.00 23.32 O ATOM 529 CB PHE A 37 -4.473 5.837 -0.961 1.00 13.02 C ATOM 530 CG PHE A 37 -5.705 5.913 -0.107 1.00 23.53 C ATOM 531 CD1 PHE A 37 -6.684 4.934 -0.190 1.00 2.52 C ATOM 532 CD2 PHE A 37 -5.887 6.963 0.779 1.00 55.15 C ATOM 533 CE1 PHE A 37 -7.819 5.003 0.596 1.00 32.35 C ATOM 534 CE2 PHE A 37 -7.020 7.036 1.567 1.00 42.22 C ATOM 535 CZ PHE A 37 -7.988 6.054 1.475 1.00 53.50 C ATOM 0 H PHE A 37 -2.736 6.825 0.553 1.00 62.50 H new ATOM 0 HA PHE A 37 -3.765 4.145 0.159 1.00 51.33 H new ATOM 0 HB2 PHE A 37 -4.115 6.847 -1.159 1.00 13.02 H new ATOM 0 HB3 PHE A 37 -4.734 5.397 -1.923 1.00 13.02 H new ATOM 0 HD1 PHE A 37 -6.558 4.109 -0.876 1.00 2.52 H new ATOM 0 HD2 PHE A 37 -5.134 7.734 0.855 1.00 55.15 H new ATOM 0 HE1 PHE A 37 -8.574 4.234 0.522 1.00 32.35 H new ATOM 0 HE2 PHE A 37 -7.149 7.859 2.254 1.00 42.22 H new ATOM 0 HZ PHE A 37 -8.875 6.109 2.089 1.00 53.50 H new ATOM 544 N VAL A 38 -2.405 3.254 -1.701 1.00 11.11 N ATOM 545 CA VAL A 38 -1.531 2.676 -2.716 1.00 61.02 C ATOM 546 C VAL A 38 -2.300 1.722 -3.622 1.00 34.50 C ATOM 547 O VAL A 38 -3.322 1.152 -3.242 1.00 25.53 O ATOM 548 CB VAL A 38 -0.351 1.921 -2.076 1.00 21.32 C ATOM 549 CG1 VAL A 38 0.674 2.900 -1.526 1.00 53.43 C ATOM 550 CG2 VAL A 38 -0.847 0.985 -0.984 1.00 31.54 C ATOM 0 H VAL A 38 -3.025 2.583 -1.247 1.00 11.11 H new ATOM 0 HA VAL A 38 -1.143 3.504 -3.310 1.00 61.02 H new ATOM 0 HB VAL A 38 0.133 1.320 -2.845 1.00 21.32 H new ATOM 0 HG11 VAL A 38 1.500 2.348 -1.078 1.00 53.43 H new ATOM 0 HG12 VAL A 38 1.052 3.525 -2.336 1.00 53.43 H new ATOM 0 HG13 VAL A 38 0.206 3.530 -0.770 1.00 53.43 H new ATOM 0 HG21 VAL A 38 -0.000 0.460 -0.543 1.00 31.54 H new ATOM 0 HG22 VAL A 38 -1.357 1.563 -0.213 1.00 31.54 H new ATOM 0 HG23 VAL A 38 -1.540 0.261 -1.413 1.00 31.54 H new ATOM 560 N PRO A 39 -1.797 1.541 -4.853 1.00 42.10 N ATOM 561 CA PRO A 39 -2.420 0.655 -5.840 1.00 31.14 C ATOM 562 C PRO A 39 -2.287 -0.816 -5.464 1.00 74.24 C ATOM 563 O PRO A 39 -1.179 -1.344 -5.367 1.00 33.52 O ATOM 564 CB PRO A 39 -1.640 0.951 -7.125 1.00 65.42 C ATOM 565 CG PRO A 39 -0.317 1.450 -6.658 1.00 51.05 C ATOM 566 CD PRO A 39 -0.582 2.188 -5.374 1.00 15.04 C ATOM 0 HA PRO A 39 -3.492 0.831 -5.926 1.00 31.14 H new ATOM 0 HB2 PRO A 39 -1.532 0.056 -7.738 1.00 65.42 H new ATOM 0 HB3 PRO A 39 -2.151 1.695 -7.736 1.00 65.42 H new ATOM 0 HG2 PRO A 39 0.377 0.625 -6.498 1.00 51.05 H new ATOM 0 HG3 PRO A 39 0.136 2.108 -7.400 1.00 51.05 H new ATOM 0 HD2 PRO A 39 0.252 2.096 -4.678 1.00 15.04 H new ATOM 0 HD3 PRO A 39 -0.737 3.253 -5.547 1.00 15.04 H new ATOM 571 N ALA A 40 -3.423 -1.474 -5.253 1.00 53.32 N ATOM 572 CA ALA A 40 -3.433 -2.886 -4.889 1.00 14.32 C ATOM 573 C ALA A 40 -2.649 -3.718 -5.899 1.00 13.41 C ATOM 574 O ALA A 40 -2.262 -4.851 -5.615 1.00 34.41 O ATOM 575 CB ALA A 40 -4.863 -3.393 -4.782 1.00 53.12 C ATOM 0 H ALA A 40 -4.348 -1.051 -5.328 1.00 53.32 H new ATOM 0 HA ALA A 40 -2.949 -2.989 -3.918 1.00 14.32 H new ATOM 0 HB1 ALA A 40 -4.855 -4.448 -4.510 1.00 53.12 H new ATOM 0 HB2 ALA A 40 -5.394 -2.825 -4.018 1.00 53.12 H new ATOM 0 HB3 ALA A 40 -5.366 -3.269 -5.741 1.00 53.12 H new ATOM 581 N ALA A 41 -2.417 -3.147 -7.077 1.00 60.41 N ATOM 582 CA ALA A 41 -1.678 -3.837 -8.127 1.00 1.35 C ATOM 583 C ALA A 41 -0.221 -4.041 -7.729 1.00 53.20 C ATOM 584 O ALA A 41 0.458 -4.924 -8.254 1.00 73.02 O ATOM 585 CB ALA A 41 -1.768 -3.060 -9.432 1.00 11.20 C ATOM 0 H ALA A 41 -2.730 -2.209 -7.328 1.00 60.41 H new ATOM 0 HA ALA A 41 -2.128 -4.819 -8.270 1.00 1.35 H new ATOM 0 HB1 ALA A 41 -1.212 -3.586 -10.208 1.00 11.20 H new ATOM 0 HB2 ALA A 41 -2.812 -2.971 -9.731 1.00 11.20 H new ATOM 0 HB3 ALA A 41 -1.344 -2.065 -9.293 1.00 11.20 H new ATOM 591 N TYR A 42 0.255 -3.219 -6.801 1.00 2.21 N ATOM 592 CA TYR A 42 1.633 -3.307 -6.335 1.00 11.30 C ATOM 593 C TYR A 42 1.729 -4.158 -5.072 1.00 71.31 C ATOM 594 O TYR A 42 2.822 -4.504 -4.623 1.00 24.44 O ATOM 595 CB TYR A 42 2.194 -1.909 -6.064 1.00 63.53 C ATOM 596 CG TYR A 42 2.500 -1.127 -7.320 1.00 2.53 C ATOM 597 CD1 TYR A 42 1.573 -1.035 -8.351 1.00 64.42 C ATOM 598 CD2 TYR A 42 3.719 -0.476 -7.477 1.00 42.21 C ATOM 599 CE1 TYR A 42 1.849 -0.321 -9.501 1.00 61.55 C ATOM 600 CE2 TYR A 42 4.004 0.241 -8.623 1.00 63.41 C ATOM 601 CZ TYR A 42 3.066 0.315 -9.631 1.00 25.34 C ATOM 602 OH TYR A 42 3.345 1.028 -10.774 1.00 32.13 O ATOM 0 H TYR A 42 -0.294 -2.483 -6.356 1.00 2.21 H new ATOM 0 HA TYR A 42 2.223 -3.783 -7.118 1.00 11.30 H new ATOM 0 HB2 TYR A 42 1.478 -1.349 -5.463 1.00 63.53 H new ATOM 0 HB3 TYR A 42 3.105 -2.000 -5.472 1.00 63.53 H new ATOM 0 HD1 TYR A 42 0.619 -1.531 -8.251 1.00 64.42 H new ATOM 0 HD2 TYR A 42 4.456 -0.532 -6.689 1.00 42.21 H new ATOM 0 HE1 TYR A 42 1.117 -0.261 -10.293 1.00 61.55 H new ATOM 0 HE2 TYR A 42 4.956 0.741 -8.729 1.00 63.41 H new ATOM 0 HH TYR A 42 3.686 0.421 -11.463 1.00 32.13 H new ATOM 611 N VAL A 43 0.574 -4.493 -4.504 1.00 52.23 N ATOM 612 CA VAL A 43 0.525 -5.306 -3.295 1.00 2.32 C ATOM 613 C VAL A 43 -0.380 -6.518 -3.484 1.00 52.15 C ATOM 614 O VAL A 43 -1.021 -6.673 -4.523 1.00 53.32 O ATOM 615 CB VAL A 43 0.024 -4.488 -2.089 1.00 13.42 C ATOM 616 CG1 VAL A 43 1.053 -3.440 -1.691 1.00 70.05 C ATOM 617 CG2 VAL A 43 -1.315 -3.840 -2.405 1.00 52.41 C ATOM 0 H VAL A 43 -0.339 -4.214 -4.862 1.00 52.23 H new ATOM 0 HA VAL A 43 1.543 -5.643 -3.099 1.00 2.32 H new ATOM 0 HB VAL A 43 -0.116 -5.164 -1.245 1.00 13.42 H new ATOM 0 HG11 VAL A 43 0.682 -2.872 -0.838 1.00 70.05 H new ATOM 0 HG12 VAL A 43 1.988 -3.932 -1.421 1.00 70.05 H new ATOM 0 HG13 VAL A 43 1.227 -2.765 -2.529 1.00 70.05 H new ATOM 0 HG21 VAL A 43 -1.654 -3.266 -1.542 1.00 52.41 H new ATOM 0 HG22 VAL A 43 -1.204 -3.176 -3.262 1.00 52.41 H new ATOM 0 HG23 VAL A 43 -2.048 -4.613 -2.637 1.00 52.41 H new ATOM 627 N LYS A 44 -0.427 -7.377 -2.471 1.00 63.23 N ATOM 628 CA LYS A 44 -1.255 -8.576 -2.522 1.00 2.11 C ATOM 629 C LYS A 44 -1.490 -9.136 -1.123 1.00 21.52 C ATOM 630 O LYS A 44 -0.630 -9.029 -0.247 1.00 33.35 O ATOM 631 CB LYS A 44 -0.596 -9.639 -3.405 1.00 2.10 C ATOM 632 CG LYS A 44 -1.581 -10.417 -4.259 1.00 42.32 C ATOM 633 CD LYS A 44 -0.917 -10.978 -5.505 1.00 41.32 C ATOM 634 CE LYS A 44 0.285 -11.841 -5.155 1.00 33.43 C ATOM 635 NZ LYS A 44 -0.074 -13.284 -5.067 1.00 0.45 N ATOM 0 H LYS A 44 0.099 -7.265 -1.604 1.00 63.23 H new ATOM 0 HA LYS A 44 -2.219 -8.303 -2.951 1.00 2.11 H new ATOM 0 HB2 LYS A 44 0.134 -9.157 -4.055 1.00 2.10 H new ATOM 0 HB3 LYS A 44 -0.048 -10.336 -2.772 1.00 2.10 H new ATOM 0 HG2 LYS A 44 -2.006 -11.232 -3.674 1.00 42.32 H new ATOM 0 HG3 LYS A 44 -2.407 -9.767 -4.547 1.00 42.32 H new ATOM 0 HD2 LYS A 44 -1.639 -11.569 -6.069 1.00 41.32 H new ATOM 0 HD3 LYS A 44 -0.602 -10.159 -6.151 1.00 41.32 H new ATOM 0 HE2 LYS A 44 1.061 -11.705 -5.908 1.00 33.43 H new ATOM 0 HE3 LYS A 44 0.703 -11.512 -4.204 1.00 33.43 H new ATOM 0 HZ1 LYS A 44 0.772 -13.838 -4.827 1.00 0.45 H new ATOM 0 HZ2 LYS A 44 -0.796 -13.418 -4.331 1.00 0.45 H new ATOM 0 HZ3 LYS A 44 -0.449 -13.605 -5.982 1.00 0.45 H new ATOM 645 N LYS A 45 -2.658 -9.735 -0.919 1.00 63.31 N ATOM 646 CA LYS A 45 -3.005 -10.316 0.374 1.00 11.13 C ATOM 647 C LYS A 45 -2.191 -11.578 0.639 1.00 24.21 C ATOM 648 O LYS A 45 -1.821 -12.297 -0.290 1.00 30.02 O ATOM 649 CB LYS A 45 -4.500 -10.638 0.425 1.00 71.43 C ATOM 650 CG LYS A 45 -5.287 -9.729 1.352 1.00 20.14 C ATOM 651 CD LYS A 45 -6.354 -10.497 2.114 1.00 75.12 C ATOM 652 CE LYS A 45 -7.728 -10.310 1.489 1.00 60.43 C ATOM 653 NZ LYS A 45 -8.334 -11.609 1.083 1.00 72.30 N ATOM 0 H LYS A 45 -3.381 -9.831 -1.632 1.00 63.31 H new ATOM 0 HA LYS A 45 -2.771 -9.586 1.149 1.00 11.13 H new ATOM 0 HB2 LYS A 45 -4.914 -10.563 -0.581 1.00 71.43 H new ATOM 0 HB3 LYS A 45 -4.630 -11.671 0.747 1.00 71.43 H new ATOM 0 HG2 LYS A 45 -4.607 -9.252 2.058 1.00 20.14 H new ATOM 0 HG3 LYS A 45 -5.755 -8.933 0.772 1.00 20.14 H new ATOM 0 HD2 LYS A 45 -6.101 -11.557 2.128 1.00 75.12 H new ATOM 0 HD3 LYS A 45 -6.376 -10.161 3.151 1.00 75.12 H new ATOM 0 HE2 LYS A 45 -8.385 -9.809 2.200 1.00 60.43 H new ATOM 0 HE3 LYS A 45 -7.645 -9.660 0.618 1.00 60.43 H new ATOM 0 HZ1 LYS A 45 -9.269 -11.439 0.662 1.00 72.30 H new ATOM 0 HZ2 LYS A 45 -7.720 -12.076 0.386 1.00 72.30 H new ATOM 0 HZ3 LYS A 45 -8.437 -12.220 1.918 1.00 72.30 H new ATOM 663 N LEU A 46 -1.918 -11.843 1.912 1.00 71.22 N ATOM 664 CA LEU A 46 -1.150 -13.021 2.300 1.00 21.14 C ATOM 665 C LEU A 46 -1.937 -13.888 3.278 1.00 1.51 C ATOM 666 O LEU A 46 -3.004 -13.494 3.750 1.00 44.13 O ATOM 667 CB LEU A 46 0.180 -12.602 2.929 1.00 44.51 C ATOM 668 CG LEU A 46 1.041 -11.644 2.104 1.00 44.42 C ATOM 669 CD1 LEU A 46 2.333 -11.321 2.839 1.00 32.12 C ATOM 670 CD2 LEU A 46 1.336 -12.238 0.735 1.00 74.02 C ATOM 0 H LEU A 46 -2.217 -11.258 2.693 1.00 71.22 H new ATOM 0 HA LEU A 46 -0.953 -13.607 1.402 1.00 21.14 H new ATOM 0 HB2 LEU A 46 -0.028 -12.135 3.892 1.00 44.51 H new ATOM 0 HB3 LEU A 46 0.763 -13.501 3.130 1.00 44.51 H new ATOM 0 HG LEU A 46 0.487 -10.716 1.963 1.00 44.42 H new ATOM 0 HD11 LEU A 46 2.933 -10.638 2.237 1.00 32.12 H new ATOM 0 HD12 LEU A 46 2.100 -10.853 3.795 1.00 32.12 H new ATOM 0 HD13 LEU A 46 2.893 -12.240 3.012 1.00 32.12 H new ATOM 0 HD21 LEU A 46 1.949 -11.543 0.161 1.00 74.02 H new ATOM 0 HD22 LEU A 46 1.871 -13.180 0.855 1.00 74.02 H new ATOM 0 HD23 LEU A 46 0.400 -12.417 0.206 1.00 74.02 H new ATOM 681 N ASP A 47 -1.404 -15.067 3.577 1.00 4.23 N ATOM 682 CA ASP A 47 -2.055 -15.988 4.501 1.00 25.02 C ATOM 683 C ASP A 47 -1.461 -15.864 5.901 1.00 51.34 C ATOM 684 O ASP A 47 -0.307 -16.226 6.131 1.00 33.22 O ATOM 685 CB ASP A 47 -1.919 -17.426 4.001 1.00 73.31 C ATOM 686 CG ASP A 47 -1.895 -18.434 5.135 1.00 15.43 C ATOM 687 OD1 ASP A 47 -2.755 -18.335 6.034 1.00 42.11 O ATOM 688 OD2 ASP A 47 -1.015 -19.319 5.120 1.00 62.44 O ATOM 0 H ASP A 47 -0.523 -15.408 3.193 1.00 4.23 H new ATOM 0 HA ASP A 47 -3.112 -15.728 4.551 1.00 25.02 H new ATOM 0 HB2 ASP A 47 -2.749 -17.655 3.333 1.00 73.31 H new ATOM 0 HB3 ASP A 47 -1.004 -17.519 3.416 1.00 73.31 H new ATOM 692 N SER A 48 -2.256 -15.349 6.832 1.00 44.33 N ATOM 693 CA SER A 48 -1.808 -15.173 8.209 1.00 72.02 C ATOM 694 C SER A 48 -2.094 -16.421 9.038 1.00 21.11 C ATOM 695 O SER A 48 -1.188 -17.009 9.628 1.00 23.43 O ATOM 696 CB SER A 48 -2.494 -13.959 8.840 1.00 31.11 C ATOM 697 OG SER A 48 -3.863 -14.223 9.095 1.00 55.35 O ATOM 0 H SER A 48 -3.214 -15.046 6.659 1.00 44.33 H new ATOM 0 HA SER A 48 -0.731 -15.007 8.196 1.00 72.02 H new ATOM 0 HB2 SER A 48 -1.991 -13.696 9.771 1.00 31.11 H new ATOM 0 HB3 SER A 48 -2.404 -13.100 8.175 1.00 31.11 H new ATOM 0 HG SER A 48 -4.324 -14.404 8.250 1.00 55.35 H new ATOM 702 N GLY A 49 -3.362 -16.820 9.077 1.00 53.34 N ATOM 703 CA GLY A 49 -3.747 -17.996 9.836 1.00 13.01 C ATOM 704 C GLY A 49 -4.673 -17.664 10.989 1.00 70.44 C ATOM 705 O GLY A 49 -5.756 -18.238 11.110 1.00 64.24 O ATOM 0 H GLY A 49 -4.129 -16.350 8.597 1.00 53.34 H new ATOM 0 HA2 GLY A 49 -4.238 -18.708 9.173 1.00 13.01 H new ATOM 0 HA3 GLY A 49 -2.852 -18.485 10.222 1.00 13.01 H new ATOM 709 N THR A 50 -4.247 -16.736 11.840 1.00 23.32 N ATOM 710 CA THR A 50 -5.045 -16.331 12.991 1.00 24.14 C ATOM 711 C THR A 50 -6.236 -15.481 12.562 1.00 3.11 C ATOM 712 O THR A 50 -7.379 -15.773 12.913 1.00 35.21 O ATOM 713 CB THR A 50 -4.202 -15.538 14.008 1.00 23.34 C ATOM 714 OG1 THR A 50 -5.008 -15.176 15.135 1.00 51.33 O ATOM 715 CG2 THR A 50 -3.621 -14.286 13.370 1.00 31.33 C ATOM 0 H THR A 50 -3.354 -16.251 11.754 1.00 23.32 H new ATOM 0 HA THR A 50 -5.406 -17.245 13.463 1.00 24.14 H new ATOM 0 HB THR A 50 -3.380 -16.172 14.339 1.00 23.34 H new ATOM 0 HG1 THR A 50 -4.465 -14.674 15.778 1.00 51.33 H new ATOM 0 HG21 THR A 50 -3.030 -13.743 14.107 1.00 31.33 H new ATOM 0 HG22 THR A 50 -2.985 -14.567 12.531 1.00 31.33 H new ATOM 0 HG23 THR A 50 -4.431 -13.650 13.014 1.00 31.33 H new ATOM 723 N GLY A 51 -5.961 -14.426 11.801 1.00 4.41 N ATOM 724 CA GLY A 51 -7.021 -13.549 11.337 1.00 54.53 C ATOM 725 C GLY A 51 -6.571 -12.105 11.225 1.00 64.21 C ATOM 726 O GLY A 51 -7.347 -11.184 11.479 1.00 64.32 O ATOM 0 H GLY A 51 -5.023 -14.163 11.497 1.00 4.41 H new ATOM 0 HA2 GLY A 51 -7.374 -13.893 10.365 1.00 54.53 H new ATOM 0 HA3 GLY A 51 -7.866 -13.611 12.023 1.00 54.53 H new ATOM 730 N LYS A 52 -5.314 -11.906 10.846 1.00 35.13 N ATOM 731 CA LYS A 52 -4.760 -10.565 10.701 1.00 42.11 C ATOM 732 C LYS A 52 -5.029 -10.014 9.305 1.00 32.14 C ATOM 733 O LYS A 52 -5.738 -10.631 8.510 1.00 11.04 O ATOM 734 CB LYS A 52 -3.255 -10.579 10.975 1.00 23.20 C ATOM 735 CG LYS A 52 -2.901 -10.916 12.413 1.00 43.42 C ATOM 736 CD LYS A 52 -2.455 -9.682 13.180 1.00 74.22 C ATOM 737 CE LYS A 52 -3.625 -8.999 13.869 1.00 64.42 C ATOM 738 NZ LYS A 52 -3.174 -7.918 14.788 1.00 3.11 N ATOM 0 H LYS A 52 -4.658 -12.658 10.633 1.00 35.13 H new ATOM 0 HA LYS A 52 -5.248 -9.917 11.429 1.00 42.11 H new ATOM 0 HB2 LYS A 52 -2.781 -11.304 10.314 1.00 23.20 H new ATOM 0 HB3 LYS A 52 -2.840 -9.602 10.727 1.00 23.20 H new ATOM 0 HG2 LYS A 52 -3.765 -11.360 12.907 1.00 43.42 H new ATOM 0 HG3 LYS A 52 -2.107 -11.662 12.428 1.00 43.42 H new ATOM 0 HD2 LYS A 52 -1.709 -9.964 13.923 1.00 74.22 H new ATOM 0 HD3 LYS A 52 -1.975 -8.982 12.496 1.00 74.22 H new ATOM 0 HE2 LYS A 52 -4.295 -8.581 13.118 1.00 64.42 H new ATOM 0 HE3 LYS A 52 -4.197 -9.738 14.430 1.00 64.42 H new ATOM 0 HZ1 LYS A 52 -4.002 -7.477 15.238 1.00 3.11 H new ATOM 0 HZ2 LYS A 52 -2.555 -8.321 15.520 1.00 3.11 H new ATOM 0 HZ3 LYS A 52 -2.650 -7.200 14.248 1.00 3.11 H new ATOM 748 N GLU A 53 -4.457 -8.850 9.013 1.00 35.22 N ATOM 749 CA GLU A 53 -4.635 -8.217 7.711 1.00 35.53 C ATOM 750 C GLU A 53 -3.314 -7.648 7.198 1.00 23.11 C ATOM 751 O GLU A 53 -2.938 -6.524 7.533 1.00 21.31 O ATOM 752 CB GLU A 53 -5.682 -7.106 7.799 1.00 20.15 C ATOM 753 CG GLU A 53 -6.847 -7.439 8.716 1.00 40.31 C ATOM 754 CD GLU A 53 -7.935 -8.228 8.015 1.00 4.24 C ATOM 755 OE1 GLU A 53 -7.612 -9.263 7.394 1.00 63.05 O ATOM 756 OE2 GLU A 53 -9.111 -7.811 8.087 1.00 73.01 O ATOM 0 H GLU A 53 -3.867 -8.327 9.660 1.00 35.22 H new ATOM 0 HA GLU A 53 -4.980 -8.977 7.010 1.00 35.53 H new ATOM 0 HB2 GLU A 53 -5.202 -6.193 8.152 1.00 20.15 H new ATOM 0 HB3 GLU A 53 -6.065 -6.899 6.800 1.00 20.15 H new ATOM 0 HG2 GLU A 53 -6.481 -8.011 9.569 1.00 40.31 H new ATOM 0 HG3 GLU A 53 -7.270 -6.515 9.110 1.00 40.31 H new ATOM 761 N LEU A 54 -2.616 -8.430 6.383 1.00 32.44 N ATOM 762 CA LEU A 54 -1.338 -8.006 5.823 1.00 22.45 C ATOM 763 C LEU A 54 -1.368 -8.056 4.298 1.00 43.32 C ATOM 764 O LEU A 54 -2.266 -8.652 3.704 1.00 30.01 O ATOM 765 CB LEU A 54 -0.208 -8.891 6.352 1.00 53.00 C ATOM 766 CG LEU A 54 -0.607 -10.302 6.784 1.00 74.32 C ATOM 767 CD1 LEU A 54 0.530 -11.280 6.529 1.00 21.14 C ATOM 768 CD2 LEU A 54 -1.007 -10.318 8.252 1.00 40.23 C ATOM 0 H LEU A 54 -2.914 -9.362 6.095 1.00 32.44 H new ATOM 0 HA LEU A 54 -1.158 -6.976 6.131 1.00 22.45 H new ATOM 0 HB2 LEU A 54 0.556 -8.972 5.578 1.00 53.00 H new ATOM 0 HB3 LEU A 54 0.252 -8.389 7.203 1.00 53.00 H new ATOM 0 HG LEU A 54 -1.467 -10.613 6.191 1.00 74.32 H new ATOM 0 HD11 LEU A 54 0.228 -12.279 6.843 1.00 21.14 H new ATOM 0 HD12 LEU A 54 0.769 -11.290 5.466 1.00 21.14 H new ATOM 0 HD13 LEU A 54 1.409 -10.972 7.096 1.00 21.14 H new ATOM 0 HD21 LEU A 54 -1.288 -11.331 8.542 1.00 40.23 H new ATOM 0 HD22 LEU A 54 -0.167 -9.986 8.862 1.00 40.23 H new ATOM 0 HD23 LEU A 54 -1.853 -9.649 8.406 1.00 40.23 H new ATOM 779 N VAL A 55 -0.378 -7.428 3.672 1.00 5.24 N ATOM 780 CA VAL A 55 -0.289 -7.403 2.216 1.00 41.35 C ATOM 781 C VAL A 55 1.156 -7.245 1.757 1.00 73.43 C ATOM 782 O VAL A 55 1.804 -6.239 2.044 1.00 40.44 O ATOM 783 CB VAL A 55 -1.132 -6.260 1.622 1.00 60.51 C ATOM 784 CG1 VAL A 55 -2.569 -6.712 1.408 1.00 1.14 C ATOM 785 CG2 VAL A 55 -1.079 -5.035 2.521 1.00 73.20 C ATOM 0 H VAL A 55 0.373 -6.930 4.149 1.00 5.24 H new ATOM 0 HA VAL A 55 -0.679 -8.356 1.858 1.00 41.35 H new ATOM 0 HB VAL A 55 -0.713 -5.989 0.653 1.00 60.51 H new ATOM 0 HG11 VAL A 55 -3.150 -5.891 0.988 1.00 1.14 H new ATOM 0 HG12 VAL A 55 -2.586 -7.558 0.721 1.00 1.14 H new ATOM 0 HG13 VAL A 55 -3.002 -7.012 2.362 1.00 1.14 H new ATOM 0 HG21 VAL A 55 -1.681 -4.237 2.085 1.00 73.20 H new ATOM 0 HG22 VAL A 55 -1.472 -5.289 3.506 1.00 73.20 H new ATOM 0 HG23 VAL A 55 -0.047 -4.699 2.618 1.00 73.20 H new ATOM 795 N LEU A 56 1.656 -8.247 1.043 1.00 33.33 N ATOM 796 CA LEU A 56 3.027 -8.220 0.541 1.00 63.43 C ATOM 797 C LEU A 56 3.170 -7.217 -0.598 1.00 43.20 C ATOM 798 O LEU A 56 2.234 -6.996 -1.367 1.00 71.14 O ATOM 799 CB LEU A 56 3.444 -9.613 0.066 1.00 1.02 C ATOM 800 CG LEU A 56 4.903 -9.766 -0.363 1.00 11.12 C ATOM 801 CD1 LEU A 56 5.157 -9.026 -1.667 1.00 13.12 C ATOM 802 CD2 LEU A 56 5.836 -9.261 0.729 1.00 23.34 C ATOM 0 H LEU A 56 1.134 -9.088 0.798 1.00 33.33 H new ATOM 0 HA LEU A 56 3.681 -7.910 1.356 1.00 63.43 H new ATOM 0 HB2 LEU A 56 3.246 -10.323 0.869 1.00 1.02 H new ATOM 0 HB3 LEU A 56 2.808 -9.895 -0.773 1.00 1.02 H new ATOM 0 HG LEU A 56 5.104 -10.825 -0.525 1.00 11.12 H new ATOM 0 HD11 LEU A 56 6.201 -9.146 -1.956 1.00 13.12 H new ATOM 0 HD12 LEU A 56 4.515 -9.434 -2.448 1.00 13.12 H new ATOM 0 HD13 LEU A 56 4.938 -7.967 -1.533 1.00 13.12 H new ATOM 0 HD21 LEU A 56 6.871 -9.378 0.406 1.00 23.34 H new ATOM 0 HD22 LEU A 56 5.633 -8.208 0.923 1.00 23.34 H new ATOM 0 HD23 LEU A 56 5.673 -9.836 1.641 1.00 23.34 H new ATOM 813 N ALA A 57 4.350 -6.612 -0.703 1.00 64.32 N ATOM 814 CA ALA A 57 4.617 -5.636 -1.751 1.00 73.24 C ATOM 815 C ALA A 57 5.254 -6.298 -2.968 1.00 2.02 C ATOM 816 O ALA A 57 6.430 -6.661 -2.946 1.00 51.25 O ATOM 817 CB ALA A 57 5.513 -4.526 -1.222 1.00 51.21 C ATOM 0 H ALA A 57 5.135 -6.782 -0.074 1.00 64.32 H new ATOM 0 HA ALA A 57 3.666 -5.203 -2.062 1.00 73.24 H new ATOM 0 HB1 ALA A 57 5.704 -3.804 -2.016 1.00 51.21 H new ATOM 0 HB2 ALA A 57 5.020 -4.027 -0.388 1.00 51.21 H new ATOM 0 HB3 ALA A 57 6.458 -4.951 -0.883 1.00 51.21 H new ATOM 823 N LEU A 58 4.469 -6.453 -4.030 1.00 54.34 N ATOM 824 CA LEU A 58 4.957 -7.072 -5.257 1.00 62.31 C ATOM 825 C LEU A 58 5.864 -6.117 -6.026 1.00 73.13 C ATOM 826 O LEU A 58 6.920 -6.511 -6.521 1.00 74.30 O ATOM 827 CB LEU A 58 3.781 -7.497 -6.139 1.00 1.13 C ATOM 828 CG LEU A 58 2.600 -8.145 -5.416 1.00 15.22 C ATOM 829 CD1 LEU A 58 1.382 -8.200 -6.326 1.00 42.45 C ATOM 830 CD2 LEU A 58 2.970 -9.540 -4.933 1.00 11.32 C ATOM 0 H LEU A 58 3.493 -6.159 -4.065 1.00 54.34 H new ATOM 0 HA LEU A 58 5.537 -7.954 -4.984 1.00 62.31 H new ATOM 0 HB2 LEU A 58 3.417 -6.619 -6.673 1.00 1.13 H new ATOM 0 HB3 LEU A 58 4.150 -8.196 -6.890 1.00 1.13 H new ATOM 0 HG LEU A 58 2.352 -7.535 -4.547 1.00 15.22 H new ATOM 0 HD11 LEU A 58 0.551 -8.664 -5.794 1.00 42.45 H new ATOM 0 HD12 LEU A 58 1.103 -7.189 -6.622 1.00 42.45 H new ATOM 0 HD13 LEU A 58 1.618 -8.786 -7.214 1.00 42.45 H new ATOM 0 HD21 LEU A 58 2.117 -9.986 -4.421 1.00 11.32 H new ATOM 0 HD22 LEU A 58 3.245 -10.160 -5.787 1.00 11.32 H new ATOM 0 HD23 LEU A 58 3.813 -9.475 -4.245 1.00 11.32 H new ATOM 841 N TYR A 59 5.448 -4.859 -6.120 1.00 24.00 N ATOM 842 CA TYR A 59 6.222 -3.848 -6.828 1.00 53.33 C ATOM 843 C TYR A 59 6.567 -2.682 -5.906 1.00 14.21 C ATOM 844 O TYR A 59 5.987 -2.533 -4.831 1.00 50.43 O ATOM 845 CB TYR A 59 5.446 -3.339 -8.044 1.00 53.14 C ATOM 846 CG TYR A 59 4.643 -4.412 -8.742 1.00 65.32 C ATOM 847 CD1 TYR A 59 5.181 -5.673 -8.972 1.00 43.51 C ATOM 848 CD2 TYR A 59 3.344 -4.167 -9.171 1.00 3.21 C ATOM 849 CE1 TYR A 59 4.451 -6.656 -9.609 1.00 20.45 C ATOM 850 CE2 TYR A 59 2.605 -5.145 -9.808 1.00 12.53 C ATOM 851 CZ TYR A 59 3.163 -6.388 -10.025 1.00 1.10 C ATOM 852 OH TYR A 59 2.432 -7.365 -10.661 1.00 43.03 O ATOM 0 H TYR A 59 4.578 -4.515 -5.714 1.00 24.00 H new ATOM 0 HA TYR A 59 7.151 -4.308 -7.165 1.00 53.33 H new ATOM 0 HB2 TYR A 59 4.773 -2.542 -7.728 1.00 53.14 H new ATOM 0 HB3 TYR A 59 6.147 -2.901 -8.755 1.00 53.14 H new ATOM 0 HD1 TYR A 59 6.188 -5.887 -8.646 1.00 43.51 H new ATOM 0 HD2 TYR A 59 2.905 -3.195 -9.003 1.00 3.21 H new ATOM 0 HE1 TYR A 59 4.886 -7.630 -9.781 1.00 20.45 H new ATOM 0 HE2 TYR A 59 1.596 -4.938 -10.134 1.00 12.53 H new ATOM 0 HH TYR A 59 1.545 -7.015 -10.887 1.00 43.03 H new ATOM 861 N ASP A 60 7.516 -1.858 -6.336 1.00 11.41 N ATOM 862 CA ASP A 60 7.940 -0.703 -5.552 1.00 40.02 C ATOM 863 C ASP A 60 7.046 0.501 -5.832 1.00 42.22 C ATOM 864 O ASP A 60 6.799 0.848 -6.987 1.00 13.30 O ATOM 865 CB ASP A 60 9.397 -0.355 -5.862 1.00 61.11 C ATOM 866 CG ASP A 60 9.700 1.115 -5.644 1.00 74.43 C ATOM 867 OD1 ASP A 60 9.575 1.581 -4.492 1.00 15.14 O ATOM 868 OD2 ASP A 60 10.062 1.797 -6.625 1.00 61.10 O ATOM 0 H ASP A 60 8.007 -1.968 -7.223 1.00 11.41 H new ATOM 0 HA ASP A 60 7.853 -0.960 -4.496 1.00 40.02 H new ATOM 0 HB2 ASP A 60 10.053 -0.956 -5.232 1.00 61.11 H new ATOM 0 HB3 ASP A 60 9.619 -0.619 -6.896 1.00 61.11 H new ATOM 872 N TYR A 61 6.563 1.132 -4.768 1.00 43.32 N ATOM 873 CA TYR A 61 5.693 2.296 -4.899 1.00 63.31 C ATOM 874 C TYR A 61 6.125 3.409 -3.949 1.00 22.32 C ATOM 875 O TYR A 61 6.859 3.171 -2.991 1.00 60.45 O ATOM 876 CB TYR A 61 4.240 1.907 -4.620 1.00 70.11 C ATOM 877 CG TYR A 61 3.265 3.051 -4.782 1.00 32.21 C ATOM 878 CD1 TYR A 61 3.163 4.045 -3.817 1.00 61.44 C ATOM 879 CD2 TYR A 61 2.447 3.137 -5.901 1.00 2.44 C ATOM 880 CE1 TYR A 61 2.273 5.091 -3.961 1.00 10.22 C ATOM 881 CE2 TYR A 61 1.554 4.181 -6.054 1.00 14.34 C ATOM 882 CZ TYR A 61 1.471 5.155 -5.081 1.00 0.01 C ATOM 883 OH TYR A 61 0.584 6.197 -5.229 1.00 13.44 O ATOM 0 H TYR A 61 6.759 0.858 -3.805 1.00 43.32 H new ATOM 0 HA TYR A 61 5.773 2.665 -5.922 1.00 63.31 H new ATOM 0 HB2 TYR A 61 3.954 1.099 -5.293 1.00 70.11 H new ATOM 0 HB3 TYR A 61 4.165 1.518 -3.604 1.00 70.11 H new ATOM 0 HD1 TYR A 61 3.790 3.999 -2.939 1.00 61.44 H new ATOM 0 HD2 TYR A 61 2.510 2.376 -6.664 1.00 2.44 H new ATOM 0 HE1 TYR A 61 2.205 5.855 -3.201 1.00 10.22 H new ATOM 0 HE2 TYR A 61 0.925 4.234 -6.930 1.00 14.34 H new ATOM 0 HH TYR A 61 -0.173 5.906 -5.779 1.00 13.44 H new ATOM 892 N GLN A 62 5.663 4.624 -4.224 1.00 24.24 N ATOM 893 CA GLN A 62 6.001 5.775 -3.394 1.00 22.24 C ATOM 894 C GLN A 62 4.859 6.785 -3.374 1.00 64.02 C ATOM 895 O GLN A 62 4.452 7.297 -4.416 1.00 51.44 O ATOM 896 CB GLN A 62 7.279 6.442 -3.908 1.00 43.53 C ATOM 897 CG GLN A 62 7.423 7.893 -3.476 1.00 71.21 C ATOM 898 CD GLN A 62 7.694 8.036 -1.991 1.00 33.31 C ATOM 899 OE1 GLN A 62 8.847 8.072 -1.560 1.00 20.23 O ATOM 900 NE2 GLN A 62 6.632 8.118 -1.200 1.00 43.15 N ATOM 0 H GLN A 62 5.054 4.837 -5.014 1.00 24.24 H new ATOM 0 HA GLN A 62 6.167 5.422 -2.376 1.00 22.24 H new ATOM 0 HB2 GLN A 62 8.142 5.878 -3.553 1.00 43.53 H new ATOM 0 HB3 GLN A 62 7.292 6.392 -4.997 1.00 43.53 H new ATOM 0 HG2 GLN A 62 8.236 8.356 -4.036 1.00 71.21 H new ATOM 0 HG3 GLN A 62 6.512 8.436 -3.729 1.00 71.21 H new ATOM 0 HE21 GLN A 62 5.694 8.084 -1.600 1.00 43.15 H new ATOM 0 HE22 GLN A 62 6.753 8.215 -0.192 1.00 43.15 H new ATOM 907 N GLU A 63 4.346 7.067 -2.180 1.00 73.13 N ATOM 908 CA GLU A 63 3.250 8.016 -2.024 1.00 33.40 C ATOM 909 C GLU A 63 3.697 9.237 -1.227 1.00 2.24 C ATOM 910 O GLU A 63 4.573 9.145 -0.367 1.00 65.40 O ATOM 911 CB GLU A 63 2.061 7.347 -1.330 1.00 55.21 C ATOM 912 CG GLU A 63 0.744 7.536 -2.061 1.00 62.10 C ATOM 913 CD GLU A 63 0.168 8.926 -1.876 1.00 71.01 C ATOM 914 OE1 GLU A 63 0.152 9.413 -0.726 1.00 72.51 O ATOM 915 OE2 GLU A 63 -0.267 9.528 -2.880 1.00 3.12 O ATOM 0 H GLU A 63 4.672 6.652 -1.307 1.00 73.13 H new ATOM 0 HA GLU A 63 2.944 8.344 -3.017 1.00 33.40 H new ATOM 0 HB2 GLU A 63 2.262 6.280 -1.231 1.00 55.21 H new ATOM 0 HB3 GLU A 63 1.967 7.748 -0.321 1.00 55.21 H new ATOM 0 HG2 GLU A 63 0.893 7.347 -3.124 1.00 62.10 H new ATOM 0 HG3 GLU A 63 0.025 6.799 -1.704 1.00 62.10 H new ATOM 920 N SER A 64 3.090 10.383 -1.522 1.00 63.12 N ATOM 921 CA SER A 64 3.427 11.625 -0.837 1.00 65.02 C ATOM 922 C SER A 64 2.212 12.191 -0.106 1.00 20.34 C ATOM 923 O SER A 64 1.348 12.822 -0.712 1.00 24.13 O ATOM 924 CB SER A 64 3.961 12.655 -1.834 1.00 22.52 C ATOM 925 OG SER A 64 3.024 12.892 -2.871 1.00 13.44 O ATOM 0 H SER A 64 2.362 10.476 -2.231 1.00 63.12 H new ATOM 0 HA SER A 64 4.202 11.405 -0.102 1.00 65.02 H new ATOM 0 HB2 SER A 64 4.179 13.589 -1.316 1.00 22.52 H new ATOM 0 HB3 SER A 64 4.899 12.301 -2.261 1.00 22.52 H new ATOM 0 HG SER A 64 2.137 13.044 -2.482 1.00 13.44 H new ATOM 930 N GLY A 65 2.154 11.958 1.201 1.00 50.11 N ATOM 931 CA GLY A 65 1.043 12.449 1.994 1.00 3.23 C ATOM 932 C GLY A 65 -0.250 11.713 1.700 1.00 74.23 C ATOM 933 O GLY A 65 -0.754 11.754 0.578 1.00 11.41 O ATOM 0 H GLY A 65 2.857 11.437 1.725 1.00 50.11 H new ATOM 0 HA2 GLY A 65 1.283 12.347 3.052 1.00 3.23 H new ATOM 0 HA3 GLY A 65 0.904 13.513 1.800 1.00 3.23 H new ATOM 937 N ASP A 66 -0.785 11.035 2.710 1.00 22.10 N ATOM 938 CA ASP A 66 -2.025 10.286 2.555 1.00 22.43 C ATOM 939 C ASP A 66 -2.988 11.013 1.622 1.00 2.51 C ATOM 940 O ASP A 66 -3.608 12.005 2.005 1.00 13.32 O ATOM 941 CB ASP A 66 -2.685 10.063 3.916 1.00 24.13 C ATOM 942 CG ASP A 66 -2.951 11.362 4.650 1.00 40.40 C ATOM 943 OD1 ASP A 66 -2.023 11.866 5.317 1.00 23.15 O ATOM 944 OD2 ASP A 66 -4.086 11.875 4.560 1.00 11.34 O ATOM 0 H ASP A 66 -0.379 10.989 3.644 1.00 22.10 H new ATOM 0 HA ASP A 66 -1.782 9.319 2.115 1.00 22.43 H new ATOM 0 HB2 ASP A 66 -3.625 9.528 3.778 1.00 24.13 H new ATOM 0 HB3 ASP A 66 -2.044 9.428 4.528 1.00 24.13 H new ATOM 948 N ASN A 67 -3.107 10.515 0.395 1.00 51.23 N ATOM 949 CA ASN A 67 -3.992 11.120 -0.593 1.00 44.42 C ATOM 950 C ASN A 67 -5.005 10.103 -1.111 1.00 51.15 C ATOM 951 O ASN A 67 -4.657 8.962 -1.411 1.00 72.43 O ATOM 952 CB ASN A 67 -3.179 11.684 -1.760 1.00 43.30 C ATOM 953 CG ASN A 67 -2.168 12.722 -1.311 1.00 5.22 C ATOM 954 OD1 ASN A 67 -1.025 12.731 -1.770 1.00 62.13 O ATOM 955 ND2 ASN A 67 -2.585 13.603 -0.408 1.00 33.42 N ATOM 0 H ASN A 67 -2.601 9.694 0.062 1.00 51.23 H new ATOM 0 HA ASN A 67 -4.533 11.933 -0.109 1.00 44.42 H new ATOM 0 HB2 ASN A 67 -2.660 10.869 -2.265 1.00 43.30 H new ATOM 0 HB3 ASN A 67 -3.856 12.131 -2.488 1.00 43.30 H new ATOM 0 HD21 ASN A 67 -1.949 14.324 -0.068 1.00 33.42 H new ATOM 0 HD22 ASN A 67 -3.541 13.558 -0.055 1.00 33.42 H new ATOM 961 N ALA A 68 -6.261 10.526 -1.213 1.00 44.55 N ATOM 962 CA ALA A 68 -7.325 9.654 -1.695 1.00 54.35 C ATOM 963 C ALA A 68 -7.128 9.314 -3.168 1.00 62.30 C ATOM 964 O ALA A 68 -6.728 10.152 -3.976 1.00 1.23 O ATOM 965 CB ALA A 68 -8.681 10.306 -1.478 1.00 1.25 C ATOM 0 H ALA A 68 -6.566 11.468 -0.968 1.00 44.55 H new ATOM 0 HA ALA A 68 -7.287 8.725 -1.126 1.00 54.35 H new ATOM 0 HB1 ALA A 68 -9.466 9.643 -1.843 1.00 1.25 H new ATOM 0 HB2 ALA A 68 -8.829 10.493 -0.414 1.00 1.25 H new ATOM 0 HB3 ALA A 68 -8.722 11.250 -2.021 1.00 1.25 H new ATOM 971 N PRO A 69 -7.414 8.053 -3.529 1.00 41.22 N ATOM 972 CA PRO A 69 -7.277 7.574 -4.907 1.00 72.42 C ATOM 973 C PRO A 69 -8.319 8.181 -5.839 1.00 53.11 C ATOM 974 O PRO A 69 -9.326 7.548 -6.155 1.00 45.23 O ATOM 975 CB PRO A 69 -7.488 6.063 -4.779 1.00 65.21 C ATOM 976 CG PRO A 69 -8.316 5.899 -3.551 1.00 41.13 C ATOM 977 CD PRO A 69 -7.895 7.001 -2.618 1.00 51.23 C ATOM 0 HA PRO A 69 -6.315 7.849 -5.340 1.00 72.42 H new ATOM 0 HB2 PRO A 69 -7.995 5.658 -5.655 1.00 65.21 H new ATOM 0 HB3 PRO A 69 -6.538 5.537 -4.689 1.00 65.21 H new ATOM 0 HG2 PRO A 69 -9.378 5.970 -3.784 1.00 41.13 H new ATOM 0 HG3 PRO A 69 -8.153 4.921 -3.098 1.00 41.13 H new ATOM 0 HD2 PRO A 69 -8.727 7.349 -2.006 1.00 51.23 H new ATOM 0 HD3 PRO A 69 -7.112 6.672 -1.935 1.00 51.23 H new ATOM 982 N SER A 70 -8.070 9.411 -6.277 1.00 61.13 N ATOM 983 CA SER A 70 -8.989 10.105 -7.171 1.00 60.03 C ATOM 984 C SER A 70 -8.653 9.811 -8.630 1.00 3.12 C ATOM 985 O SER A 70 -9.350 10.260 -9.541 1.00 33.22 O ATOM 986 CB SER A 70 -8.939 11.613 -6.918 1.00 22.34 C ATOM 987 OG SER A 70 -9.955 12.012 -6.015 1.00 51.23 O ATOM 0 H SER A 70 -7.239 9.947 -6.027 1.00 61.13 H new ATOM 0 HA SER A 70 -9.997 9.743 -6.968 1.00 60.03 H new ATOM 0 HB2 SER A 70 -7.963 11.885 -6.516 1.00 22.34 H new ATOM 0 HB3 SER A 70 -9.056 12.147 -7.861 1.00 22.34 H new ATOM 0 HG SER A 70 -9.901 12.979 -5.868 1.00 51.23 H new ATOM 992 N TYR A 71 -7.582 9.056 -8.843 1.00 12.13 N ATOM 993 CA TYR A 71 -7.151 8.703 -10.191 1.00 43.01 C ATOM 994 C TYR A 71 -6.849 7.211 -10.294 1.00 55.45 C ATOM 995 O TYR A 71 -6.835 6.499 -9.290 1.00 53.11 O ATOM 996 CB TYR A 71 -5.915 9.514 -10.583 1.00 40.43 C ATOM 997 CG TYR A 71 -4.860 9.571 -9.501 1.00 73.14 C ATOM 998 CD1 TYR A 71 -4.375 8.407 -8.916 1.00 50.32 C ATOM 999 CD2 TYR A 71 -4.349 10.786 -9.062 1.00 63.30 C ATOM 1000 CE1 TYR A 71 -3.411 8.453 -7.926 1.00 42.11 C ATOM 1001 CE2 TYR A 71 -3.385 10.841 -8.074 1.00 42.42 C ATOM 1002 CZ TYR A 71 -2.920 9.672 -7.509 1.00 51.13 C ATOM 1003 OH TYR A 71 -1.961 9.724 -6.524 1.00 75.21 O ATOM 0 H TYR A 71 -6.996 8.676 -8.100 1.00 12.13 H new ATOM 0 HA TYR A 71 -7.964 8.938 -10.878 1.00 43.01 H new ATOM 0 HB2 TYR A 71 -5.478 9.082 -11.483 1.00 40.43 H new ATOM 0 HB3 TYR A 71 -6.222 10.529 -10.834 1.00 40.43 H new ATOM 0 HD1 TYR A 71 -4.758 7.451 -9.240 1.00 50.32 H new ATOM 0 HD2 TYR A 71 -4.712 11.704 -9.501 1.00 63.30 H new ATOM 0 HE1 TYR A 71 -3.045 7.539 -7.482 1.00 42.11 H new ATOM 0 HE2 TYR A 71 -2.998 11.794 -7.746 1.00 42.42 H new ATOM 0 HH TYR A 71 -1.723 10.658 -6.348 1.00 75.21 H new ATOM 1012 N SER A 72 -6.605 6.747 -11.515 1.00 75.32 N ATOM 1013 CA SER A 72 -6.305 5.339 -11.751 1.00 32.41 C ATOM 1014 C SER A 72 -4.918 4.983 -11.224 1.00 51.11 C ATOM 1015 O SER A 72 -4.027 5.827 -11.127 1.00 44.40 O ATOM 1016 CB SER A 72 -6.392 5.021 -13.245 1.00 64.12 C ATOM 1017 OG SER A 72 -5.960 6.120 -14.026 1.00 24.04 O ATOM 0 H SER A 72 -6.609 7.324 -12.356 1.00 75.32 H new ATOM 0 HA SER A 72 -7.043 4.741 -11.216 1.00 32.41 H new ATOM 0 HB2 SER A 72 -5.780 4.148 -13.470 1.00 64.12 H new ATOM 0 HB3 SER A 72 -7.419 4.766 -13.507 1.00 64.12 H new ATOM 0 HG SER A 72 -6.024 5.891 -14.977 1.00 24.04 H new ATOM 1022 N PRO A 73 -4.729 3.702 -10.875 1.00 2.13 N ATOM 1023 CA PRO A 73 -3.454 3.203 -10.352 1.00 14.13 C ATOM 1024 C PRO A 73 -2.362 3.176 -11.416 1.00 3.04 C ATOM 1025 O PRO A 73 -2.622 2.965 -12.601 1.00 12.51 O ATOM 1026 CB PRO A 73 -3.790 1.782 -9.894 1.00 35.42 C ATOM 1027 CG PRO A 73 -4.959 1.383 -10.725 1.00 24.52 C ATOM 1028 CD PRO A 73 -5.747 2.641 -10.964 1.00 22.41 C ATOM 0 HA PRO A 73 -3.062 3.839 -9.559 1.00 14.13 H new ATOM 0 HB2 PRO A 73 -2.947 1.107 -10.046 1.00 35.42 H new ATOM 0 HB3 PRO A 73 -4.032 1.755 -8.832 1.00 35.42 H new ATOM 0 HG2 PRO A 73 -4.635 0.941 -11.667 1.00 24.52 H new ATOM 0 HG3 PRO A 73 -5.564 0.635 -10.213 1.00 24.52 H new ATOM 0 HD2 PRO A 73 -6.234 2.631 -11.939 1.00 22.41 H new ATOM 0 HD3 PRO A 73 -6.531 2.772 -10.218 1.00 22.41 H new ATOM 1033 N PRO A 74 -1.111 3.395 -10.986 1.00 12.45 N ATOM 1034 CA PRO A 74 0.046 3.400 -11.887 1.00 41.21 C ATOM 1035 C PRO A 74 0.369 2.010 -12.424 1.00 65.22 C ATOM 1036 O PRO A 74 0.101 0.992 -11.783 1.00 51.41 O ATOM 1037 CB PRO A 74 1.185 3.908 -10.999 1.00 72.24 C ATOM 1038 CG PRO A 74 0.772 3.551 -9.613 1.00 64.34 C ATOM 1039 CD PRO A 74 -0.728 3.654 -9.588 1.00 35.10 C ATOM 0 HA PRO A 74 -0.129 4.012 -12.771 1.00 41.21 H new ATOM 0 HB2 PRO A 74 2.133 3.439 -11.263 1.00 72.24 H new ATOM 0 HB3 PRO A 74 1.321 4.984 -11.107 1.00 72.24 H new ATOM 0 HG2 PRO A 74 1.098 2.543 -9.356 1.00 64.34 H new ATOM 0 HG3 PRO A 74 1.222 4.227 -8.886 1.00 64.34 H new ATOM 0 HD2 PRO A 74 -1.170 2.925 -8.909 1.00 35.10 H new ATOM 0 HD3 PRO A 74 -1.058 4.639 -9.257 1.00 35.10 H new ATOM 1044 N PRO A 75 0.957 1.961 -13.628 1.00 1.30 N ATOM 1045 CA PRO A 75 1.329 0.700 -14.277 1.00 51.43 C ATOM 1046 C PRO A 75 2.490 0.007 -13.573 1.00 54.21 C ATOM 1047 O PRO A 75 3.552 0.591 -13.349 1.00 3.05 O ATOM 1048 CB PRO A 75 1.741 1.135 -15.686 1.00 53.52 C ATOM 1049 CG PRO A 75 2.169 2.554 -15.535 1.00 25.54 C ATOM 1050 CD PRO A 75 1.305 3.133 -14.449 1.00 11.32 C ATOM 0 HA PRO A 75 0.514 -0.023 -14.260 1.00 51.43 H new ATOM 0 HB2 PRO A 75 2.552 0.516 -16.070 1.00 53.52 H new ATOM 0 HB3 PRO A 75 0.911 1.044 -16.387 1.00 53.52 H new ATOM 0 HG2 PRO A 75 3.224 2.617 -15.270 1.00 25.54 H new ATOM 0 HG3 PRO A 75 2.042 3.102 -16.469 1.00 25.54 H new ATOM 0 HD2 PRO A 75 1.839 3.886 -13.869 1.00 11.32 H new ATOM 0 HD3 PRO A 75 0.417 3.616 -14.857 1.00 11.32 H new ATOM 1055 N PRO A 76 2.290 -1.270 -13.214 1.00 4.44 N ATOM 1056 CA PRO A 76 3.309 -2.070 -12.531 1.00 52.01 C ATOM 1057 C PRO A 76 4.485 -2.409 -13.441 1.00 71.35 C ATOM 1058 O PRO A 76 4.448 -2.190 -14.652 1.00 53.15 O ATOM 1059 CB PRO A 76 2.556 -3.343 -12.136 1.00 3.53 C ATOM 1060 CG PRO A 76 1.441 -3.443 -13.120 1.00 62.42 C ATOM 1061 CD PRO A 76 1.050 -2.030 -13.449 1.00 0.15 C ATOM 0 HA PRO A 76 3.746 -1.537 -11.686 1.00 52.01 H new ATOM 0 HB2 PRO A 76 3.205 -4.218 -12.182 1.00 3.53 H new ATOM 0 HB3 PRO A 76 2.179 -3.280 -11.115 1.00 3.53 H new ATOM 0 HG2 PRO A 76 1.758 -3.979 -14.015 1.00 62.42 H new ATOM 0 HG3 PRO A 76 0.599 -3.993 -12.700 1.00 62.42 H new ATOM 0 HD2 PRO A 76 0.711 -1.937 -14.481 1.00 0.15 H new ATOM 0 HD3 PRO A 76 0.237 -1.679 -12.813 1.00 0.15 H new ATOM 1066 N PRO A 77 5.556 -2.957 -12.845 1.00 32.44 N ATOM 1067 CA PRO A 77 6.763 -3.339 -13.585 1.00 42.54 C ATOM 1068 C PRO A 77 6.531 -4.541 -14.494 1.00 4.24 C ATOM 1069 O PRO A 77 7.239 -4.729 -15.482 1.00 32.31 O ATOM 1070 CB PRO A 77 7.760 -3.690 -12.477 1.00 32.50 C ATOM 1071 CG PRO A 77 6.913 -4.087 -11.317 1.00 32.11 C ATOM 1072 CD PRO A 77 5.669 -3.247 -11.407 1.00 50.44 C ATOM 0 HA PRO A 77 7.103 -2.544 -14.249 1.00 42.54 H new ATOM 0 HB2 PRO A 77 8.420 -4.502 -12.781 1.00 32.50 H new ATOM 0 HB3 PRO A 77 8.394 -2.838 -12.231 1.00 32.50 H new ATOM 0 HG2 PRO A 77 6.671 -5.149 -11.356 1.00 32.11 H new ATOM 0 HG3 PRO A 77 7.434 -3.913 -10.376 1.00 32.11 H new ATOM 0 HD2 PRO A 77 4.795 -3.782 -11.035 1.00 50.44 H new ATOM 0 HD3 PRO A 77 5.758 -2.334 -10.819 1.00 50.44 H new