USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 577 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 18 TYR OH : rot 180:sc= -1.92! USER MOD Set 1.2: A 55 TYR OH : rot 30:sc= -0.891 USER MOD Single : A 4 THR OG1 : rot 19:sc= 0.728 USER MOD Single : A 11 SER OG : rot -49:sc= 0.312 USER MOD Single : A 12 GLN : amide:sc= -7.13! C(o=-7.1!,f=-6.6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= -1.68 (180deg=-2.27) USER MOD Single : A 23 SER OG : rot -65:sc= 1.05 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 22:sc= 0.729 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.0002) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0768 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.87 K(o=-0.87,f=-2.1!) USER MOD Single : A 44 SER OG : rot -9:sc= 0.242! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -66:sc= -1.46 USER MOD Single : A 63 GLN : amide:sc= -0.282 K(o=-0.28,f=-1.7) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0449 USER MOD Single : A 66 THR OG1 : rot 47:sc= 0.599 USER MOD Single : A 68 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-2.3) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.108 USER MOD Single : A 70 GLN : amide:sc= -0.0415 X(o=-0.042,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -0.348 USER MOD ----------------------------------------------------------------- ATOM 48 N THR A 4 1.723 2.832 -9.598 1.00 71.52 N ATOM 49 CA THR A 4 1.977 3.500 -10.868 1.00 74.33 C ATOM 50 C THR A 4 0.985 3.048 -11.935 1.00 1.53 C ATOM 51 O THR A 4 0.276 2.058 -11.756 1.00 73.14 O ATOM 52 CB THR A 4 3.409 3.231 -11.368 1.00 75.23 C ATOM 53 OG1 THR A 4 4.183 2.619 -10.331 1.00 10.23 O ATOM 54 CG2 THR A 4 4.078 4.522 -11.813 1.00 52.43 C ATOM 0 HA THR A 4 1.856 4.569 -10.692 1.00 74.33 H new ATOM 0 HB THR A 4 3.351 2.557 -12.223 1.00 75.23 H new ATOM 0 HG1 THR A 4 3.583 2.231 -9.661 1.00 10.23 H new ATOM 0 HG21 THR A 4 5.088 4.307 -12.162 1.00 52.43 H new ATOM 0 HG22 THR A 4 3.502 4.970 -12.623 1.00 52.43 H new ATOM 0 HG23 THR A 4 4.124 5.216 -10.974 1.00 52.43 H new ATOM 62 N ILE A 5 0.941 3.780 -13.043 1.00 4.32 N ATOM 63 CA ILE A 5 0.038 3.453 -14.139 1.00 15.25 C ATOM 64 C ILE A 5 0.707 2.524 -15.145 1.00 45.22 C ATOM 65 O ILE A 5 1.823 2.052 -14.924 1.00 22.54 O ATOM 66 CB ILE A 5 -0.444 4.721 -14.868 1.00 72.05 C ATOM 67 CG1 ILE A 5 0.717 5.376 -15.619 1.00 41.01 C ATOM 68 CG2 ILE A 5 -1.062 5.699 -13.880 1.00 61.21 C ATOM 69 CD1 ILE A 5 0.579 5.308 -17.124 1.00 20.11 C ATOM 0 H ILE A 5 1.520 4.604 -13.205 1.00 4.32 H new ATOM 0 HA ILE A 5 -0.822 2.948 -13.699 1.00 15.25 H new ATOM 0 HB ILE A 5 -1.207 4.437 -15.593 1.00 72.05 H new ATOM 0 HG12 ILE A 5 0.792 6.420 -15.316 1.00 41.01 H new ATOM 0 HG13 ILE A 5 1.648 4.892 -15.325 1.00 41.01 H new ATOM 0 HG21 ILE A 5 -1.397 6.590 -14.411 1.00 61.21 H new ATOM 0 HG22 ILE A 5 -1.913 5.229 -13.386 1.00 61.21 H new ATOM 0 HG23 ILE A 5 -0.319 5.980 -13.133 1.00 61.21 H new ATOM 0 HD11 ILE A 5 1.437 5.792 -17.590 1.00 20.11 H new ATOM 0 HD12 ILE A 5 0.535 4.265 -17.439 1.00 20.11 H new ATOM 0 HD13 ILE A 5 -0.335 5.818 -17.429 1.00 20.11 H new ATOM 81 N LEU A 6 0.021 2.267 -16.253 1.00 13.41 N ATOM 82 CA LEU A 6 0.550 1.396 -17.296 1.00 73.14 C ATOM 83 C LEU A 6 -0.045 1.751 -18.655 1.00 62.25 C ATOM 84 O LEU A 6 0.679 2.086 -19.593 1.00 34.44 O ATOM 85 CB LEU A 6 0.254 -0.068 -16.964 1.00 41.22 C ATOM 86 CG LEU A 6 0.823 -1.104 -17.934 1.00 32.20 C ATOM 87 CD1 LEU A 6 2.256 -1.452 -17.563 1.00 42.04 C ATOM 88 CD2 LEU A 6 -0.045 -2.354 -17.948 1.00 22.34 C ATOM 0 H LEU A 6 -0.903 2.650 -16.452 1.00 13.41 H new ATOM 0 HA LEU A 6 1.629 1.541 -17.343 1.00 73.14 H new ATOM 0 HB2 LEU A 6 0.643 -0.280 -15.968 1.00 41.22 H new ATOM 0 HB3 LEU A 6 -0.827 -0.198 -16.918 1.00 41.22 H new ATOM 0 HG LEU A 6 0.823 -0.674 -18.936 1.00 32.20 H new ATOM 0 HD11 LEU A 6 2.644 -2.191 -18.264 1.00 42.04 H new ATOM 0 HD12 LEU A 6 2.871 -0.553 -17.605 1.00 42.04 H new ATOM 0 HD13 LEU A 6 2.281 -1.862 -16.553 1.00 42.04 H new ATOM 0 HD21 LEU A 6 0.375 -3.081 -18.644 1.00 22.34 H new ATOM 0 HD22 LEU A 6 -0.077 -2.786 -16.948 1.00 22.34 H new ATOM 0 HD23 LEU A 6 -1.055 -2.092 -18.263 1.00 22.34 H new ATOM 100 N GLY A 7 -1.369 1.677 -18.754 1.00 62.03 N ATOM 101 CA GLY A 7 -2.038 1.995 -20.002 1.00 14.32 C ATOM 102 C GLY A 7 -2.888 3.247 -19.901 1.00 22.30 C ATOM 103 O GLY A 7 -3.493 3.512 -18.862 1.00 73.30 O ATOM 0 H GLY A 7 -1.990 1.403 -17.993 1.00 62.03 H new ATOM 0 HA2 GLY A 7 -1.293 2.127 -20.787 1.00 14.32 H new ATOM 0 HA3 GLY A 7 -2.667 1.155 -20.298 1.00 14.32 H new ATOM 107 N ILE A 8 -2.932 4.019 -20.982 1.00 24.35 N ATOM 108 CA ILE A 8 -3.712 5.249 -21.009 1.00 55.25 C ATOM 109 C ILE A 8 -4.896 5.128 -21.963 1.00 71.52 C ATOM 110 O ILE A 8 -4.821 4.432 -22.975 1.00 44.14 O ATOM 111 CB ILE A 8 -2.850 6.454 -21.430 1.00 72.25 C ATOM 112 CG1 ILE A 8 -3.656 7.750 -21.319 1.00 31.42 C ATOM 113 CG2 ILE A 8 -2.334 6.265 -22.849 1.00 43.40 C ATOM 114 CD1 ILE A 8 -2.796 8.992 -21.252 1.00 51.22 C ATOM 0 H ILE A 8 -2.437 3.814 -21.850 1.00 24.35 H new ATOM 0 HA ILE A 8 -4.079 5.412 -19.996 1.00 55.25 H new ATOM 0 HB ILE A 8 -1.994 6.522 -20.758 1.00 72.25 H new ATOM 0 HG12 ILE A 8 -4.325 7.827 -22.176 1.00 31.42 H new ATOM 0 HG13 ILE A 8 -4.283 7.703 -20.429 1.00 31.42 H new ATOM 0 HG21 ILE A 8 -1.727 7.124 -23.133 1.00 43.40 H new ATOM 0 HG22 ILE A 8 -1.728 5.360 -22.898 1.00 43.40 H new ATOM 0 HG23 ILE A 8 -3.177 6.175 -23.534 1.00 43.40 H new ATOM 0 HD11 ILE A 8 -3.434 9.872 -21.174 1.00 51.22 H new ATOM 0 HD12 ILE A 8 -2.145 8.937 -20.379 1.00 51.22 H new ATOM 0 HD13 ILE A 8 -2.188 9.063 -22.154 1.00 51.22 H new ATOM 126 N GLU A 9 -5.988 5.810 -21.633 1.00 1.40 N ATOM 127 CA GLU A 9 -7.187 5.779 -22.462 1.00 14.15 C ATOM 128 C GLU A 9 -7.716 7.189 -22.707 1.00 42.44 C ATOM 129 O GLU A 9 -7.952 7.948 -21.768 1.00 14.55 O ATOM 130 CB GLU A 9 -8.270 4.925 -21.798 1.00 52.41 C ATOM 131 CG GLU A 9 -8.883 3.891 -22.727 1.00 32.55 C ATOM 132 CD GLU A 9 -10.318 3.559 -22.364 1.00 62.14 C ATOM 133 OE1 GLU A 9 -10.550 3.084 -21.233 1.00 53.31 O ATOM 134 OE2 GLU A 9 -11.208 3.775 -23.213 1.00 73.42 O ATOM 0 H GLU A 9 -6.067 6.390 -20.798 1.00 1.40 H new ATOM 0 HA GLU A 9 -6.922 5.337 -23.423 1.00 14.15 H new ATOM 0 HB2 GLU A 9 -7.841 4.417 -20.934 1.00 52.41 H new ATOM 0 HB3 GLU A 9 -9.058 5.579 -21.425 1.00 52.41 H new ATOM 0 HG2 GLU A 9 -8.848 4.262 -23.751 1.00 32.55 H new ATOM 0 HG3 GLU A 9 -8.284 2.981 -22.697 1.00 32.55 H new ATOM 141 N VAL A 10 -7.898 7.534 -23.978 1.00 61.44 N ATOM 142 CA VAL A 10 -8.398 8.852 -24.349 1.00 75.23 C ATOM 143 C VAL A 10 -9.866 9.010 -23.967 1.00 3.15 C ATOM 144 O VAL A 10 -10.697 8.162 -24.290 1.00 12.11 O ATOM 145 CB VAL A 10 -8.243 9.106 -25.860 1.00 52.44 C ATOM 146 CG1 VAL A 10 -8.908 7.997 -26.660 1.00 74.32 C ATOM 147 CG2 VAL A 10 -8.820 10.463 -26.234 1.00 13.53 C ATOM 0 H VAL A 10 -7.706 6.918 -24.768 1.00 61.44 H new ATOM 0 HA VAL A 10 -7.802 9.582 -23.802 1.00 75.23 H new ATOM 0 HB VAL A 10 -7.180 9.109 -26.102 1.00 52.44 H new ATOM 0 HG11 VAL A 10 -8.788 8.194 -27.725 1.00 74.32 H new ATOM 0 HG12 VAL A 10 -8.444 7.042 -26.413 1.00 74.32 H new ATOM 0 HG13 VAL A 10 -9.970 7.959 -26.416 1.00 74.32 H new ATOM 0 HG21 VAL A 10 -8.702 10.626 -27.305 1.00 13.53 H new ATOM 0 HG22 VAL A 10 -9.879 10.491 -25.977 1.00 13.53 H new ATOM 0 HG23 VAL A 10 -8.293 11.245 -25.688 1.00 13.53 H new ATOM 157 N SER A 11 -10.177 10.102 -23.276 1.00 1.40 N ATOM 158 CA SER A 11 -11.544 10.371 -22.846 1.00 0.13 C ATOM 159 C SER A 11 -11.804 11.872 -22.769 1.00 53.55 C ATOM 160 O SER A 11 -12.689 12.323 -22.043 1.00 34.13 O ATOM 161 CB SER A 11 -11.809 9.726 -21.484 1.00 5.32 C ATOM 162 OG SER A 11 -13.197 9.679 -21.203 1.00 3.32 O ATOM 0 H SER A 11 -9.501 10.815 -23.002 1.00 1.40 H new ATOM 0 HA SER A 11 -12.222 9.940 -23.583 1.00 0.13 H new ATOM 0 HB2 SER A 11 -11.398 8.717 -21.470 1.00 5.32 H new ATOM 0 HB3 SER A 11 -11.296 10.290 -20.705 1.00 5.32 H new ATOM 0 HG SER A 11 -13.595 10.559 -21.372 1.00 3.32 H new ATOM 168 N GLN A 12 -11.026 12.641 -23.525 1.00 73.31 N ATOM 169 CA GLN A 12 -11.172 14.091 -23.543 1.00 2.41 C ATOM 170 C GLN A 12 -12.177 14.525 -24.605 1.00 62.21 C ATOM 171 O GLN A 12 -12.125 14.065 -25.745 1.00 52.13 O ATOM 172 CB GLN A 12 -9.819 14.758 -23.801 1.00 74.44 C ATOM 173 CG GLN A 12 -9.097 14.214 -25.023 1.00 61.33 C ATOM 174 CD GLN A 12 -7.985 13.249 -24.662 1.00 62.32 C ATOM 175 OE1 GLN A 12 -7.888 12.794 -23.522 1.00 61.32 O ATOM 176 NE2 GLN A 12 -7.138 12.931 -25.634 1.00 62.32 N ATOM 0 H GLN A 12 -10.289 12.284 -24.133 1.00 73.31 H new ATOM 0 HA GLN A 12 -11.544 14.405 -22.568 1.00 2.41 H new ATOM 0 HB2 GLN A 12 -9.970 15.830 -23.925 1.00 74.44 H new ATOM 0 HB3 GLN A 12 -9.184 14.625 -22.925 1.00 74.44 H new ATOM 0 HG2 GLN A 12 -9.815 13.710 -25.670 1.00 61.33 H new ATOM 0 HG3 GLN A 12 -8.681 15.044 -25.594 1.00 61.33 H new ATOM 0 HE21 GLN A 12 -7.256 13.332 -26.565 1.00 62.32 H new ATOM 0 HE22 GLN A 12 -6.370 12.286 -25.450 1.00 62.32 H new ATOM 185 N GLU A 13 -13.090 15.412 -24.222 1.00 31.40 N ATOM 186 CA GLU A 13 -14.108 15.905 -25.142 1.00 44.43 C ATOM 187 C GLU A 13 -13.802 17.337 -25.574 1.00 34.03 C ATOM 188 O GLU A 13 -13.152 18.102 -24.861 1.00 30.41 O ATOM 189 CB GLU A 13 -15.491 15.841 -24.491 1.00 4.32 C ATOM 190 CG GLU A 13 -16.089 14.445 -24.469 1.00 23.34 C ATOM 191 CD GLU A 13 -17.436 14.376 -25.161 1.00 13.15 C ATOM 192 OE1 GLU A 13 -17.500 14.694 -26.367 1.00 21.13 O ATOM 193 OE2 GLU A 13 -18.427 14.005 -24.497 1.00 4.23 O ATOM 0 H GLU A 13 -13.145 15.804 -23.282 1.00 31.40 H new ATOM 0 HA GLU A 13 -14.102 15.267 -26.026 1.00 44.43 H new ATOM 0 HB2 GLU A 13 -15.420 16.213 -23.469 1.00 4.32 H new ATOM 0 HB3 GLU A 13 -16.167 16.508 -25.026 1.00 4.32 H new ATOM 0 HG2 GLU A 13 -15.401 13.751 -24.952 1.00 23.34 H new ATOM 0 HG3 GLU A 13 -16.199 14.117 -23.435 1.00 23.34 H new ATOM 200 N PRO A 14 -14.282 17.709 -26.770 1.00 13.14 N ATOM 201 CA PRO A 14 -14.074 19.050 -27.324 1.00 2.22 C ATOM 202 C PRO A 14 -14.857 20.118 -26.568 1.00 1.02 C ATOM 203 O PRO A 14 -16.053 19.966 -26.320 1.00 13.55 O ATOM 204 CB PRO A 14 -14.590 18.925 -28.760 1.00 24.25 C ATOM 205 CG PRO A 14 -15.576 17.810 -28.712 1.00 32.44 C ATOM 206 CD PRO A 14 -15.066 16.850 -27.673 1.00 21.43 C ATOM 0 HA PRO A 14 -13.032 19.361 -27.257 1.00 2.22 H new ATOM 0 HB2 PRO A 14 -15.056 19.852 -29.095 1.00 24.25 H new ATOM 0 HB3 PRO A 14 -13.779 18.707 -29.455 1.00 24.25 H new ATOM 0 HG2 PRO A 14 -16.568 18.178 -28.450 1.00 32.44 H new ATOM 0 HG3 PRO A 14 -15.663 17.324 -29.684 1.00 32.44 H new ATOM 0 HD2 PRO A 14 -15.883 16.355 -27.148 1.00 21.43 H new ATOM 0 HD3 PRO A 14 -14.451 16.067 -28.117 1.00 21.43 H new ATOM 214 N LYS A 15 -14.175 21.199 -26.204 1.00 70.21 N ATOM 215 CA LYS A 15 -14.807 22.294 -25.478 1.00 5.04 C ATOM 216 C LYS A 15 -13.827 23.444 -25.268 1.00 50.55 C ATOM 217 O LYS A 15 -13.815 24.410 -26.032 1.00 14.41 O ATOM 218 CB LYS A 15 -15.328 21.802 -24.126 1.00 15.44 C ATOM 219 CG LYS A 15 -15.855 22.915 -23.236 1.00 2.22 C ATOM 220 CD LYS A 15 -17.319 22.706 -22.888 1.00 72.24 C ATOM 221 CE LYS A 15 -18.224 23.589 -23.734 1.00 34.42 C ATOM 222 NZ LYS A 15 -19.413 24.058 -22.969 1.00 42.11 N ATOM 0 H LYS A 15 -13.184 21.340 -26.400 1.00 70.21 H new ATOM 0 HA LYS A 15 -15.644 22.657 -26.074 1.00 5.04 H new ATOM 0 HB2 LYS A 15 -16.123 21.076 -24.295 1.00 15.44 H new ATOM 0 HB3 LYS A 15 -14.525 21.280 -23.605 1.00 15.44 H new ATOM 0 HG2 LYS A 15 -15.265 22.960 -22.320 1.00 2.22 H new ATOM 0 HG3 LYS A 15 -15.733 23.874 -23.740 1.00 2.22 H new ATOM 0 HD2 LYS A 15 -17.584 21.660 -23.040 1.00 72.24 H new ATOM 0 HD3 LYS A 15 -17.478 22.925 -21.832 1.00 72.24 H new ATOM 0 HE2 LYS A 15 -17.660 24.450 -24.092 1.00 34.42 H new ATOM 0 HE3 LYS A 15 -18.553 23.035 -24.613 1.00 34.42 H new ATOM 0 HZ1 LYS A 15 -20.005 24.657 -23.580 1.00 42.11 H new ATOM 0 HZ2 LYS A 15 -19.965 23.237 -22.649 1.00 42.11 H new ATOM 0 HZ3 LYS A 15 -19.100 24.608 -22.144 1.00 42.11 H new ATOM 236 N LYS A 16 -13.005 23.334 -24.230 1.00 51.34 N ATOM 237 CA LYS A 16 -12.019 24.364 -23.922 1.00 34.52 C ATOM 238 C LYS A 16 -12.617 25.757 -24.087 1.00 75.14 C ATOM 239 O LYS A 16 -12.140 26.556 -24.894 1.00 35.43 O ATOM 240 CB LYS A 16 -10.794 24.212 -24.826 1.00 3.34 C ATOM 241 CG LYS A 16 -9.475 24.242 -24.072 1.00 51.55 C ATOM 242 CD LYS A 16 -8.986 25.665 -23.862 1.00 4.51 C ATOM 243 CE LYS A 16 -9.856 26.412 -22.863 1.00 54.54 C ATOM 244 NZ LYS A 16 -9.041 27.183 -21.884 1.00 32.22 N ATOM 0 H LYS A 16 -13.002 22.542 -23.587 1.00 51.34 H new ATOM 0 HA LYS A 16 -11.714 24.241 -22.883 1.00 34.52 H new ATOM 0 HB2 LYS A 16 -10.870 23.271 -25.372 1.00 3.34 H new ATOM 0 HB3 LYS A 16 -10.798 25.012 -25.567 1.00 3.34 H new ATOM 0 HG2 LYS A 16 -9.596 23.751 -23.106 1.00 51.55 H new ATOM 0 HG3 LYS A 16 -8.725 23.676 -24.625 1.00 51.55 H new ATOM 0 HD2 LYS A 16 -7.955 25.648 -23.507 1.00 4.51 H new ATOM 0 HD3 LYS A 16 -8.987 26.195 -24.814 1.00 4.51 H new ATOM 0 HE2 LYS A 16 -10.520 27.091 -23.397 1.00 54.54 H new ATOM 0 HE3 LYS A 16 -10.488 25.702 -22.330 1.00 54.54 H new ATOM 0 HZ1 LYS A 16 -9.651 27.856 -21.378 1.00 32.22 H new ATOM 0 HZ2 LYS A 16 -8.607 26.529 -21.202 1.00 32.22 H new ATOM 0 HZ3 LYS A 16 -8.294 27.703 -22.387 1.00 32.22 H new ATOM 258 N ASP A 17 -13.663 26.042 -23.319 1.00 3.13 N ATOM 259 CA ASP A 17 -14.324 27.340 -23.379 1.00 12.44 C ATOM 260 C ASP A 17 -14.198 28.077 -22.049 1.00 23.44 C ATOM 261 O ASP A 17 -14.454 27.509 -20.986 1.00 51.14 O ATOM 262 CB ASP A 17 -15.800 27.168 -23.742 1.00 42.52 C ATOM 263 CG ASP A 17 -16.638 26.718 -22.562 1.00 71.42 C ATOM 264 OD1 ASP A 17 -16.429 25.583 -22.084 1.00 64.22 O ATOM 265 OD2 ASP A 17 -17.503 27.500 -22.116 1.00 71.22 O ATOM 0 H ASP A 17 -14.071 25.391 -22.648 1.00 3.13 H new ATOM 0 HA ASP A 17 -13.834 27.934 -24.151 1.00 12.44 H new ATOM 0 HB2 ASP A 17 -16.190 28.112 -24.122 1.00 42.52 H new ATOM 0 HB3 ASP A 17 -15.890 26.439 -24.547 1.00 42.52 H new ATOM 270 N TYR A 18 -13.800 29.342 -22.115 1.00 10.35 N ATOM 271 CA TYR A 18 -13.636 30.155 -20.915 1.00 41.33 C ATOM 272 C TYR A 18 -14.019 31.607 -21.185 1.00 1.31 C ATOM 273 O TYR A 18 -13.945 32.081 -22.320 1.00 10.15 O ATOM 274 CB TYR A 18 -12.192 30.081 -20.417 1.00 45.23 C ATOM 275 CG TYR A 18 -11.195 30.731 -21.351 1.00 30.51 C ATOM 276 CD1 TYR A 18 -10.600 30.006 -22.376 1.00 44.32 C ATOM 277 CD2 TYR A 18 -10.850 32.069 -21.208 1.00 62.11 C ATOM 278 CE1 TYR A 18 -9.688 30.595 -23.231 1.00 11.42 C ATOM 279 CE2 TYR A 18 -9.940 32.667 -22.059 1.00 74.31 C ATOM 280 CZ TYR A 18 -9.362 31.926 -23.068 1.00 61.35 C ATOM 281 OH TYR A 18 -8.455 32.517 -23.919 1.00 35.43 O ATOM 0 H TYR A 18 -13.585 29.827 -22.986 1.00 10.35 H new ATOM 0 HA TYR A 18 -14.299 29.760 -20.145 1.00 41.33 H new ATOM 0 HB2 TYR A 18 -12.128 30.561 -19.440 1.00 45.23 H new ATOM 0 HB3 TYR A 18 -11.918 29.035 -20.277 1.00 45.23 H new ATOM 0 HD1 TYR A 18 -10.855 28.965 -22.507 1.00 44.32 H new ATOM 0 HD2 TYR A 18 -11.301 32.652 -20.418 1.00 62.11 H new ATOM 0 HE1 TYR A 18 -9.233 30.017 -24.022 1.00 11.42 H new ATOM 0 HE2 TYR A 18 -9.683 33.709 -21.934 1.00 74.31 H new ATOM 0 HH TYR A 18 -8.337 33.457 -23.670 1.00 35.43 H new ATOM 291 N LEU A 19 -14.428 32.309 -20.134 1.00 3.12 N ATOM 292 CA LEU A 19 -14.822 33.708 -20.255 1.00 13.44 C ATOM 293 C LEU A 19 -13.600 34.620 -20.260 1.00 4.40 C ATOM 294 O LEU A 19 -12.604 34.345 -19.590 1.00 40.51 O ATOM 295 CB LEU A 19 -15.757 34.096 -19.107 1.00 41.14 C ATOM 296 CG LEU A 19 -16.516 35.412 -19.276 1.00 54.51 C ATOM 297 CD1 LEU A 19 -17.813 35.387 -18.481 1.00 64.51 C ATOM 298 CD2 LEU A 19 -15.649 36.587 -18.848 1.00 12.24 C ATOM 0 H LEU A 19 -14.495 31.932 -19.189 1.00 3.12 H new ATOM 0 HA LEU A 19 -15.348 33.831 -21.202 1.00 13.44 H new ATOM 0 HB2 LEU A 19 -16.484 33.295 -18.971 1.00 41.14 H new ATOM 0 HB3 LEU A 19 -15.170 34.153 -18.190 1.00 41.14 H new ATOM 0 HG LEU A 19 -16.763 35.533 -20.331 1.00 54.51 H new ATOM 0 HD11 LEU A 19 -18.339 36.332 -18.614 1.00 64.51 H new ATOM 0 HD12 LEU A 19 -18.441 34.569 -18.835 1.00 64.51 H new ATOM 0 HD13 LEU A 19 -17.589 35.242 -17.424 1.00 64.51 H new ATOM 0 HD21 LEU A 19 -16.206 37.515 -18.975 1.00 12.24 H new ATOM 0 HD22 LEU A 19 -15.371 36.471 -17.800 1.00 12.24 H new ATOM 0 HD23 LEU A 19 -14.748 36.617 -19.461 1.00 12.24 H new ATOM 310 N VAL A 20 -13.683 35.709 -21.019 1.00 23.41 N ATOM 311 CA VAL A 20 -12.585 36.663 -21.109 1.00 4.50 C ATOM 312 C VAL A 20 -12.122 37.101 -19.724 1.00 25.32 C ATOM 313 O VAL A 20 -12.921 37.546 -18.902 1.00 55.53 O ATOM 314 CB VAL A 20 -12.989 37.909 -21.920 1.00 21.01 C ATOM 315 CG1 VAL A 20 -11.836 38.899 -21.988 1.00 54.22 C ATOM 316 CG2 VAL A 20 -13.444 37.511 -23.316 1.00 21.32 C ATOM 0 H VAL A 20 -14.500 35.952 -21.580 1.00 23.41 H new ATOM 0 HA VAL A 20 -11.766 36.155 -21.619 1.00 4.50 H new ATOM 0 HB VAL A 20 -13.824 38.395 -21.415 1.00 21.01 H new ATOM 0 HG11 VAL A 20 -12.140 39.773 -22.565 1.00 54.22 H new ATOM 0 HG12 VAL A 20 -11.562 39.208 -20.979 1.00 54.22 H new ATOM 0 HG13 VAL A 20 -10.979 38.427 -22.469 1.00 54.22 H new ATOM 0 HG21 VAL A 20 -13.726 38.403 -23.875 1.00 21.32 H new ATOM 0 HG22 VAL A 20 -12.631 37.001 -23.832 1.00 21.32 H new ATOM 0 HG23 VAL A 20 -14.302 36.843 -23.242 1.00 21.32 H new ATOM 326 N GLY A 21 -10.823 36.970 -19.471 1.00 44.23 N ATOM 327 CA GLY A 21 -10.275 37.357 -18.184 1.00 64.52 C ATOM 328 C GLY A 21 -10.310 36.225 -17.176 1.00 44.10 C ATOM 329 O GLY A 21 -9.676 36.303 -16.123 1.00 61.13 O ATOM 0 H GLY A 21 -10.141 36.603 -20.134 1.00 44.23 H new ATOM 0 HA2 GLY A 21 -9.246 37.690 -18.316 1.00 64.52 H new ATOM 0 HA3 GLY A 21 -10.837 38.205 -17.793 1.00 64.52 H new ATOM 333 N ASP A 22 -11.053 35.172 -17.497 1.00 21.12 N ATOM 334 CA ASP A 22 -11.169 34.019 -16.611 1.00 2.53 C ATOM 335 C ASP A 22 -9.982 33.077 -16.786 1.00 42.43 C ATOM 336 O ASP A 22 -9.799 32.141 -16.008 1.00 55.04 O ATOM 337 CB ASP A 22 -12.475 33.271 -16.881 1.00 64.53 C ATOM 338 CG ASP A 22 -12.778 32.234 -15.818 1.00 34.32 C ATOM 339 OD1 ASP A 22 -12.145 32.283 -14.742 1.00 53.42 O ATOM 340 OD2 ASP A 22 -13.650 31.373 -16.061 1.00 1.24 O ATOM 0 H ASP A 22 -11.584 35.093 -18.364 1.00 21.12 H new ATOM 0 HA ASP A 22 -11.173 34.381 -15.583 1.00 2.53 H new ATOM 0 HB2 ASP A 22 -13.296 33.986 -16.932 1.00 64.53 H new ATOM 0 HB3 ASP A 22 -12.417 32.783 -17.854 1.00 64.53 H new ATOM 345 N SER A 23 -9.178 33.332 -17.814 1.00 31.40 N ATOM 346 CA SER A 23 -8.011 32.503 -18.095 1.00 12.32 C ATOM 347 C SER A 23 -8.428 31.076 -18.435 1.00 63.42 C ATOM 348 O SER A 23 -9.608 30.794 -18.646 1.00 51.23 O ATOM 349 CB SER A 23 -7.063 32.498 -16.894 1.00 63.45 C ATOM 350 OG SER A 23 -7.326 31.397 -16.042 1.00 23.40 O ATOM 0 H SER A 23 -9.313 34.105 -18.465 1.00 31.40 H new ATOM 0 HA SER A 23 -7.493 32.926 -18.956 1.00 12.32 H new ATOM 0 HB2 SER A 23 -6.031 32.455 -17.242 1.00 63.45 H new ATOM 0 HB3 SER A 23 -7.173 33.428 -16.336 1.00 63.45 H new ATOM 0 HG SER A 23 -8.217 31.495 -15.646 1.00 23.40 H new ATOM 356 N LEU A 24 -7.450 30.178 -18.487 1.00 32.52 N ATOM 357 CA LEU A 24 -7.713 28.778 -18.802 1.00 33.45 C ATOM 358 C LEU A 24 -8.840 28.227 -17.934 1.00 33.13 C ATOM 359 O LEU A 24 -8.876 28.458 -16.725 1.00 20.21 O ATOM 360 CB LEU A 24 -6.447 27.943 -18.603 1.00 22.03 C ATOM 361 CG LEU A 24 -5.433 27.978 -19.747 1.00 75.13 C ATOM 362 CD1 LEU A 24 -6.049 27.422 -21.022 1.00 41.21 C ATOM 363 CD2 LEU A 24 -4.929 29.396 -19.970 1.00 55.33 C ATOM 0 H LEU A 24 -6.468 30.394 -18.315 1.00 32.52 H new ATOM 0 HA LEU A 24 -8.020 28.718 -19.846 1.00 33.45 H new ATOM 0 HB2 LEU A 24 -5.951 28.283 -17.694 1.00 22.03 H new ATOM 0 HB3 LEU A 24 -6.742 26.907 -18.437 1.00 22.03 H new ATOM 0 HG LEU A 24 -4.584 27.351 -19.474 1.00 75.13 H new ATOM 0 HD11 LEU A 24 -5.313 27.455 -21.826 1.00 41.21 H new ATOM 0 HD12 LEU A 24 -6.360 26.391 -20.856 1.00 41.21 H new ATOM 0 HD13 LEU A 24 -6.916 28.022 -21.299 1.00 41.21 H new ATOM 0 HD21 LEU A 24 -4.208 29.402 -20.788 1.00 55.33 H new ATOM 0 HD22 LEU A 24 -5.768 30.045 -20.221 1.00 55.33 H new ATOM 0 HD23 LEU A 24 -4.449 29.759 -19.061 1.00 55.33 H new ATOM 375 N ASP A 25 -9.758 27.496 -18.558 1.00 4.41 N ATOM 376 CA ASP A 25 -10.885 26.909 -17.842 1.00 45.43 C ATOM 377 C ASP A 25 -11.452 25.718 -18.607 1.00 35.33 C ATOM 378 O ASP A 25 -12.576 25.768 -19.110 1.00 65.43 O ATOM 379 CB ASP A 25 -11.977 27.957 -17.621 1.00 21.21 C ATOM 380 CG ASP A 25 -12.934 27.570 -16.510 1.00 63.44 C ATOM 381 OD1 ASP A 25 -12.503 26.859 -15.578 1.00 55.40 O ATOM 382 OD2 ASP A 25 -14.113 27.976 -16.574 1.00 50.13 O ATOM 0 H ASP A 25 -9.744 27.296 -19.558 1.00 4.41 H new ATOM 0 HA ASP A 25 -10.528 26.559 -16.874 1.00 45.43 H new ATOM 0 HB2 ASP A 25 -11.515 28.914 -17.381 1.00 21.21 H new ATOM 0 HB3 ASP A 25 -12.536 28.096 -18.546 1.00 21.21 H new ATOM 387 N LEU A 26 -10.670 24.648 -18.691 1.00 24.24 N ATOM 388 CA LEU A 26 -11.094 23.443 -19.395 1.00 22.32 C ATOM 389 C LEU A 26 -11.454 22.335 -18.410 1.00 71.12 C ATOM 390 O LEU A 26 -10.679 22.015 -17.509 1.00 1.51 O ATOM 391 CB LEU A 26 -9.988 22.963 -20.337 1.00 54.33 C ATOM 392 CG LEU A 26 -10.209 21.599 -20.992 1.00 13.12 C ATOM 393 CD1 LEU A 26 -11.407 21.644 -21.928 1.00 64.05 C ATOM 394 CD2 LEU A 26 -8.960 21.158 -21.741 1.00 11.42 C ATOM 0 H LEU A 26 -9.738 24.590 -18.280 1.00 24.24 H new ATOM 0 HA LEU A 26 -11.981 23.687 -19.980 1.00 22.32 H new ATOM 0 HB2 LEU A 26 -9.862 23.706 -21.125 1.00 54.33 H new ATOM 0 HB3 LEU A 26 -9.053 22.928 -19.779 1.00 54.33 H new ATOM 0 HG LEU A 26 -10.414 20.870 -20.208 1.00 13.12 H new ATOM 0 HD11 LEU A 26 -11.549 20.665 -22.385 1.00 64.05 H new ATOM 0 HD12 LEU A 26 -12.300 21.914 -21.364 1.00 64.05 H new ATOM 0 HD13 LEU A 26 -11.232 22.386 -22.707 1.00 64.05 H new ATOM 0 HD21 LEU A 26 -9.136 20.185 -22.201 1.00 11.42 H new ATOM 0 HD22 LEU A 26 -8.723 21.888 -22.515 1.00 11.42 H new ATOM 0 HD23 LEU A 26 -8.125 21.084 -21.044 1.00 11.42 H new ATOM 406 N SER A 27 -12.635 21.751 -18.590 1.00 44.03 N ATOM 407 CA SER A 27 -13.099 20.680 -17.717 1.00 24.43 C ATOM 408 C SER A 27 -13.626 19.503 -18.533 1.00 12.42 C ATOM 409 O SER A 27 -14.162 18.543 -17.981 1.00 61.22 O ATOM 410 CB SER A 27 -14.191 21.195 -16.778 1.00 55.05 C ATOM 411 OG SER A 27 -14.119 22.603 -16.637 1.00 14.15 O ATOM 0 H SER A 27 -13.287 22.002 -19.333 1.00 44.03 H new ATOM 0 HA SER A 27 -12.252 20.337 -17.123 1.00 24.43 H new ATOM 0 HB2 SER A 27 -15.170 20.915 -17.166 1.00 55.05 H new ATOM 0 HB3 SER A 27 -14.088 20.723 -15.801 1.00 55.05 H new ATOM 0 HG SER A 27 -14.828 22.908 -16.033 1.00 14.15 H new ATOM 417 N GLU A 28 -13.470 19.588 -19.850 1.00 61.13 N ATOM 418 CA GLU A 28 -13.931 18.531 -20.743 1.00 13.11 C ATOM 419 C GLU A 28 -12.760 17.690 -21.241 1.00 62.31 C ATOM 420 O GLU A 28 -12.943 16.568 -21.711 1.00 61.25 O ATOM 421 CB GLU A 28 -14.685 19.130 -21.932 1.00 12.41 C ATOM 422 CG GLU A 28 -15.856 20.011 -21.529 1.00 42.31 C ATOM 423 CD GLU A 28 -16.662 19.424 -20.387 1.00 21.02 C ATOM 424 OE1 GLU A 28 -17.314 18.380 -20.597 1.00 73.03 O ATOM 425 OE2 GLU A 28 -16.641 20.008 -19.283 1.00 63.23 O ATOM 0 H GLU A 28 -13.028 20.377 -20.322 1.00 61.13 H new ATOM 0 HA GLU A 28 -14.606 17.885 -20.182 1.00 13.11 H new ATOM 0 HB2 GLU A 28 -13.991 19.716 -22.534 1.00 12.41 H new ATOM 0 HB3 GLU A 28 -15.051 18.321 -22.564 1.00 12.41 H new ATOM 0 HG2 GLU A 28 -15.484 20.993 -21.238 1.00 42.31 H new ATOM 0 HG3 GLU A 28 -16.508 20.159 -22.390 1.00 42.31 H new ATOM 432 N GLY A 29 -11.555 18.241 -21.134 1.00 43.54 N ATOM 433 CA GLY A 29 -10.371 17.529 -21.578 1.00 42.25 C ATOM 434 C GLY A 29 -9.781 16.651 -20.493 1.00 34.31 C ATOM 435 O GLY A 29 -8.706 16.939 -19.968 1.00 20.15 O ATOM 0 H GLY A 29 -11.378 19.168 -20.748 1.00 43.54 H new ATOM 0 HA2 GLY A 29 -10.623 16.914 -22.442 1.00 42.25 H new ATOM 0 HA3 GLY A 29 -9.621 18.248 -21.907 1.00 42.25 H new ATOM 439 N ARG A 30 -10.488 15.577 -20.154 1.00 64.15 N ATOM 440 CA ARG A 30 -10.029 14.655 -19.122 1.00 51.20 C ATOM 441 C ARG A 30 -9.640 13.310 -19.728 1.00 43.11 C ATOM 442 O ARG A 30 -10.132 12.930 -20.790 1.00 74.14 O ATOM 443 CB ARG A 30 -11.119 14.455 -18.067 1.00 5.11 C ATOM 444 CG ARG A 30 -12.238 13.530 -18.515 1.00 52.23 C ATOM 445 CD ARG A 30 -13.605 14.102 -18.170 1.00 64.51 C ATOM 446 NE ARG A 30 -14.685 13.182 -18.516 1.00 15.30 N ATOM 447 CZ ARG A 30 -15.028 12.137 -17.771 1.00 51.30 C ATOM 448 NH1 ARG A 30 -14.378 11.881 -16.644 1.00 72.53 N ATOM 449 NH2 ARG A 30 -16.023 11.347 -18.152 1.00 72.35 N ATOM 0 H ARG A 30 -11.380 15.324 -20.579 1.00 64.15 H new ATOM 0 HA ARG A 30 -9.148 15.088 -18.648 1.00 51.20 H new ATOM 0 HB2 ARG A 30 -10.666 14.052 -17.161 1.00 5.11 H new ATOM 0 HB3 ARG A 30 -11.543 15.425 -17.807 1.00 5.11 H new ATOM 0 HG2 ARG A 30 -12.170 13.370 -19.591 1.00 52.23 H new ATOM 0 HG3 ARG A 30 -12.119 12.556 -18.040 1.00 52.23 H new ATOM 0 HD2 ARG A 30 -13.646 14.325 -17.104 1.00 64.51 H new ATOM 0 HD3 ARG A 30 -13.748 15.044 -18.699 1.00 64.51 H new ATOM 0 HE ARG A 30 -15.205 13.351 -19.377 1.00 15.30 H new ATOM 0 HH11 ARG A 30 -13.613 12.487 -16.348 1.00 72.53 H new ATOM 0 HH12 ARG A 30 -14.643 11.078 -16.073 1.00 72.53 H new ATOM 0 HH21 ARG A 30 -16.526 11.542 -19.018 1.00 72.35 H new ATOM 0 HH22 ARG A 30 -16.285 10.545 -17.579 1.00 72.35 H new ATOM 463 N PHE A 31 -8.752 12.594 -19.046 1.00 11.34 N ATOM 464 CA PHE A 31 -8.295 11.292 -19.517 1.00 50.21 C ATOM 465 C PHE A 31 -8.422 10.241 -18.419 1.00 23.25 C ATOM 466 O PHE A 31 -8.311 10.550 -17.233 1.00 1.43 O ATOM 467 CB PHE A 31 -6.843 11.379 -19.991 1.00 23.41 C ATOM 468 CG PHE A 31 -5.841 11.243 -18.880 1.00 62.42 C ATOM 469 CD1 PHE A 31 -5.795 12.171 -17.853 1.00 43.42 C ATOM 470 CD2 PHE A 31 -4.945 10.186 -18.864 1.00 24.15 C ATOM 471 CE1 PHE A 31 -4.874 12.049 -16.829 1.00 72.04 C ATOM 472 CE2 PHE A 31 -4.022 10.058 -17.842 1.00 52.02 C ATOM 473 CZ PHE A 31 -3.986 10.991 -16.825 1.00 11.34 C ATOM 0 H PHE A 31 -8.335 12.894 -18.165 1.00 11.34 H new ATOM 0 HA PHE A 31 -8.926 10.994 -20.354 1.00 50.21 H new ATOM 0 HB2 PHE A 31 -6.663 10.598 -20.730 1.00 23.41 H new ATOM 0 HB3 PHE A 31 -6.690 12.334 -20.493 1.00 23.41 H new ATOM 0 HD1 PHE A 31 -6.487 13.000 -17.852 1.00 43.42 H new ATOM 0 HD2 PHE A 31 -4.968 9.454 -19.658 1.00 24.15 H new ATOM 0 HE1 PHE A 31 -4.849 12.779 -16.034 1.00 72.04 H new ATOM 0 HE2 PHE A 31 -3.330 9.229 -17.839 1.00 52.02 H new ATOM 0 HZ PHE A 31 -3.264 10.894 -16.027 1.00 11.34 H new ATOM 483 N ALA A 32 -8.655 8.997 -18.823 1.00 34.53 N ATOM 484 CA ALA A 32 -8.796 7.899 -17.874 1.00 61.21 C ATOM 485 C ALA A 32 -7.578 6.982 -17.911 1.00 70.00 C ATOM 486 O ALA A 32 -7.270 6.384 -18.942 1.00 23.21 O ATOM 487 CB ALA A 32 -10.063 7.108 -18.165 1.00 50.54 C ATOM 0 H ALA A 32 -8.750 8.724 -19.801 1.00 34.53 H new ATOM 0 HA ALA A 32 -8.869 8.324 -16.873 1.00 61.21 H new ATOM 0 HB1 ALA A 32 -10.155 6.292 -17.449 1.00 50.54 H new ATOM 0 HB2 ALA A 32 -10.929 7.764 -18.080 1.00 50.54 H new ATOM 0 HB3 ALA A 32 -10.014 6.701 -19.175 1.00 50.54 H new ATOM 493 N VAL A 33 -6.888 6.876 -16.780 1.00 0.42 N ATOM 494 CA VAL A 33 -5.703 6.032 -16.683 1.00 34.21 C ATOM 495 C VAL A 33 -5.995 4.766 -15.885 1.00 3.03 C ATOM 496 O VAL A 33 -6.694 4.805 -14.873 1.00 3.33 O ATOM 497 CB VAL A 33 -4.531 6.783 -16.024 1.00 32.32 C ATOM 498 CG1 VAL A 33 -4.817 7.033 -14.551 1.00 35.51 C ATOM 499 CG2 VAL A 33 -3.235 6.006 -16.199 1.00 73.42 C ATOM 0 H VAL A 33 -7.129 7.364 -15.918 1.00 0.42 H new ATOM 0 HA VAL A 33 -5.423 5.760 -17.701 1.00 34.21 H new ATOM 0 HB VAL A 33 -4.419 7.749 -16.517 1.00 32.32 H new ATOM 0 HG11 VAL A 33 -3.978 7.565 -14.103 1.00 35.51 H new ATOM 0 HG12 VAL A 33 -5.721 7.634 -14.453 1.00 35.51 H new ATOM 0 HG13 VAL A 33 -4.957 6.080 -14.041 1.00 35.51 H new ATOM 0 HG21 VAL A 33 -2.417 6.551 -15.727 1.00 73.42 H new ATOM 0 HG22 VAL A 33 -3.333 5.025 -15.734 1.00 73.42 H new ATOM 0 HG23 VAL A 33 -3.024 5.884 -17.262 1.00 73.42 H new ATOM 509 N ALA A 34 -5.453 3.644 -16.347 1.00 75.22 N ATOM 510 CA ALA A 34 -5.653 2.366 -15.675 1.00 71.11 C ATOM 511 C ALA A 34 -4.390 1.928 -14.942 1.00 2.24 C ATOM 512 O ALA A 34 -3.361 1.662 -15.563 1.00 24.55 O ATOM 513 CB ALA A 34 -6.079 1.303 -16.677 1.00 43.24 C ATOM 0 H ALA A 34 -4.872 3.594 -17.184 1.00 75.22 H new ATOM 0 HA ALA A 34 -6.445 2.492 -14.937 1.00 71.11 H new ATOM 0 HB1 ALA A 34 -6.225 0.354 -16.161 1.00 43.24 H new ATOM 0 HB2 ALA A 34 -7.012 1.604 -17.153 1.00 43.24 H new ATOM 0 HB3 ALA A 34 -5.306 1.188 -17.436 1.00 43.24 H new ATOM 519 N TYR A 35 -4.475 1.857 -13.618 1.00 3.11 N ATOM 520 CA TYR A 35 -3.337 1.455 -12.800 1.00 30.24 C ATOM 521 C TYR A 35 -3.170 -0.062 -12.806 1.00 54.31 C ATOM 522 O TYR A 35 -4.100 -0.798 -13.136 1.00 62.23 O ATOM 523 CB TYR A 35 -3.513 1.954 -11.364 1.00 64.53 C ATOM 524 CG TYR A 35 -3.061 3.382 -11.160 1.00 24.10 C ATOM 525 CD1 TYR A 35 -3.845 4.447 -11.584 1.00 12.23 C ATOM 526 CD2 TYR A 35 -1.849 3.666 -10.542 1.00 62.10 C ATOM 527 CE1 TYR A 35 -3.436 5.754 -11.400 1.00 24.43 C ATOM 528 CE2 TYR A 35 -1.432 4.969 -10.353 1.00 2.35 C ATOM 529 CZ TYR A 35 -2.228 6.010 -10.784 1.00 34.55 C ATOM 530 OH TYR A 35 -1.818 7.310 -10.597 1.00 65.51 O ATOM 0 H TYR A 35 -5.320 2.073 -13.089 1.00 3.11 H new ATOM 0 HA TYR A 35 -2.439 1.903 -13.226 1.00 30.24 H new ATOM 0 HB2 TYR A 35 -4.564 1.871 -11.086 1.00 64.53 H new ATOM 0 HB3 TYR A 35 -2.953 1.305 -10.691 1.00 64.53 H new ATOM 0 HD1 TYR A 35 -4.791 4.250 -12.066 1.00 12.23 H new ATOM 0 HD2 TYR A 35 -1.223 2.854 -10.204 1.00 62.10 H new ATOM 0 HE1 TYR A 35 -4.058 6.570 -11.736 1.00 24.43 H new ATOM 0 HE2 TYR A 35 -0.487 5.172 -9.870 1.00 2.35 H new ATOM 0 HH TYR A 35 -2.596 7.905 -10.619 1.00 65.51 H new ATOM 540 N SER A 36 -1.979 -0.521 -12.438 1.00 63.10 N ATOM 541 CA SER A 36 -1.687 -1.949 -12.404 1.00 32.51 C ATOM 542 C SER A 36 -2.354 -2.611 -11.202 1.00 30.41 C ATOM 543 O SER A 36 -2.383 -3.836 -11.091 1.00 74.22 O ATOM 544 CB SER A 36 -0.176 -2.182 -12.355 1.00 61.13 C ATOM 545 OG SER A 36 0.228 -3.119 -13.339 1.00 34.54 O ATOM 0 H SER A 36 -1.200 0.075 -12.159 1.00 63.10 H new ATOM 0 HA SER A 36 -2.087 -2.398 -13.313 1.00 32.51 H new ATOM 0 HB2 SER A 36 0.346 -1.238 -12.511 1.00 61.13 H new ATOM 0 HB3 SER A 36 0.108 -2.543 -11.366 1.00 61.13 H new ATOM 0 HG SER A 36 1.198 -3.249 -13.288 1.00 34.54 H new ATOM 551 N ASN A 37 -2.888 -1.791 -10.303 1.00 55.34 N ATOM 552 CA ASN A 37 -3.555 -2.295 -9.108 1.00 61.33 C ATOM 553 C ASN A 37 -5.061 -2.398 -9.328 1.00 13.54 C ATOM 554 O ASN A 37 -5.841 -2.374 -8.375 1.00 4.22 O ATOM 555 CB ASN A 37 -3.263 -1.385 -7.913 1.00 63.35 C ATOM 556 CG ASN A 37 -2.670 -2.143 -6.741 1.00 14.11 C ATOM 557 OD1 ASN A 37 -3.234 -3.136 -6.280 1.00 51.25 O ATOM 558 ND2 ASN A 37 -1.527 -1.676 -6.252 1.00 34.22 N ATOM 0 H ASN A 37 -2.872 -0.774 -10.379 1.00 55.34 H new ATOM 0 HA ASN A 37 -3.168 -3.292 -8.899 1.00 61.33 H new ATOM 0 HB2 ASN A 37 -2.574 -0.598 -8.219 1.00 63.35 H new ATOM 0 HB3 ASN A 37 -4.185 -0.897 -7.597 1.00 63.35 H new ATOM 0 HD21 ASN A 37 -1.081 -2.144 -5.463 1.00 34.22 H new ATOM 0 HD22 ASN A 37 -1.095 -0.850 -6.666 1.00 34.22 H new ATOM 565 N ASP A 38 -5.463 -2.512 -10.588 1.00 54.24 N ATOM 566 CA ASP A 38 -6.876 -2.620 -10.934 1.00 12.54 C ATOM 567 C ASP A 38 -7.630 -1.352 -10.542 1.00 25.22 C ATOM 568 O ASP A 38 -8.834 -1.386 -10.287 1.00 50.24 O ATOM 569 CB ASP A 38 -7.501 -3.833 -10.243 1.00 42.01 C ATOM 570 CG ASP A 38 -6.551 -5.012 -10.174 1.00 62.52 C ATOM 571 OD1 ASP A 38 -6.388 -5.703 -11.201 1.00 60.35 O ATOM 572 OD2 ASP A 38 -5.971 -5.245 -9.093 1.00 23.32 O ATOM 0 H ASP A 38 -4.831 -2.532 -11.388 1.00 54.24 H new ATOM 0 HA ASP A 38 -6.951 -2.748 -12.014 1.00 12.54 H new ATOM 0 HB2 ASP A 38 -7.806 -3.556 -9.234 1.00 42.01 H new ATOM 0 HB3 ASP A 38 -8.403 -4.128 -10.779 1.00 42.01 H new ATOM 577 N THR A 39 -6.912 -0.234 -10.494 1.00 22.01 N ATOM 578 CA THR A 39 -7.511 1.044 -10.131 1.00 32.11 C ATOM 579 C THR A 39 -7.551 1.991 -11.324 1.00 41.35 C ATOM 580 O THR A 39 -6.905 1.748 -12.343 1.00 43.52 O ATOM 581 CB THR A 39 -6.742 1.719 -8.980 1.00 24.42 C ATOM 582 OG1 THR A 39 -5.779 0.809 -8.434 1.00 54.15 O ATOM 583 CG2 THR A 39 -7.695 2.173 -7.885 1.00 3.12 C ATOM 0 H THR A 39 -5.915 -0.188 -10.702 1.00 22.01 H new ATOM 0 HA THR A 39 -8.529 0.833 -9.803 1.00 32.11 H new ATOM 0 HB THR A 39 -6.229 2.594 -9.379 1.00 24.42 H new ATOM 0 HG1 THR A 39 -5.293 1.246 -7.704 1.00 54.15 H new ATOM 0 HG21 THR A 39 -7.129 2.647 -7.083 1.00 3.12 H new ATOM 0 HG22 THR A 39 -8.408 2.887 -8.296 1.00 3.12 H new ATOM 0 HG23 THR A 39 -8.232 1.311 -7.490 1.00 3.12 H new ATOM 591 N MET A 40 -8.313 3.072 -11.191 1.00 70.12 N ATOM 592 CA MET A 40 -8.435 4.057 -12.259 1.00 42.24 C ATOM 593 C MET A 40 -8.461 5.473 -11.693 1.00 4.14 C ATOM 594 O MET A 40 -8.953 5.700 -10.588 1.00 21.41 O ATOM 595 CB MET A 40 -9.701 3.800 -13.078 1.00 35.32 C ATOM 596 CG MET A 40 -9.457 2.982 -14.336 1.00 4.13 C ATOM 597 SD MET A 40 -9.499 1.206 -14.029 1.00 33.12 S ATOM 598 CE MET A 40 -10.545 0.655 -15.375 1.00 30.15 C ATOM 0 H MET A 40 -8.855 3.288 -10.354 1.00 70.12 H new ATOM 0 HA MET A 40 -7.565 3.960 -12.908 1.00 42.24 H new ATOM 0 HB2 MET A 40 -10.429 3.282 -12.453 1.00 35.32 H new ATOM 0 HB3 MET A 40 -10.144 4.756 -13.357 1.00 35.32 H new ATOM 0 HG2 MET A 40 -10.211 3.236 -15.081 1.00 4.13 H new ATOM 0 HG3 MET A 40 -8.488 3.251 -14.757 1.00 4.13 H new ATOM 0 HE1 MET A 40 -10.667 -0.427 -15.322 1.00 30.15 H new ATOM 0 HE2 MET A 40 -11.521 1.134 -15.297 1.00 30.15 H new ATOM 0 HE3 MET A 40 -10.085 0.922 -16.326 1.00 30.15 H new ATOM 608 N GLU A 41 -7.927 6.421 -12.456 1.00 51.44 N ATOM 609 CA GLU A 41 -7.889 7.815 -12.028 1.00 62.20 C ATOM 610 C GLU A 41 -8.367 8.740 -13.143 1.00 42.23 C ATOM 611 O GLU A 41 -7.959 8.601 -14.296 1.00 11.11 O ATOM 612 CB GLU A 41 -6.471 8.202 -11.602 1.00 31.32 C ATOM 613 CG GLU A 41 -6.422 9.021 -10.323 1.00 52.54 C ATOM 614 CD GLU A 41 -5.005 9.323 -9.878 1.00 4.05 C ATOM 615 OE1 GLU A 41 -4.076 9.146 -10.694 1.00 73.10 O ATOM 616 OE2 GLU A 41 -4.823 9.736 -8.713 1.00 74.51 O ATOM 0 H GLU A 41 -7.515 6.250 -13.373 1.00 51.44 H new ATOM 0 HA GLU A 41 -8.560 7.925 -11.176 1.00 62.20 H new ATOM 0 HB2 GLU A 41 -5.881 7.295 -11.466 1.00 31.32 H new ATOM 0 HB3 GLU A 41 -6.002 8.770 -12.405 1.00 31.32 H new ATOM 0 HG2 GLU A 41 -6.959 9.958 -10.475 1.00 52.54 H new ATOM 0 HG3 GLU A 41 -6.941 8.482 -9.530 1.00 52.54 H new ATOM 623 N GLU A 42 -9.234 9.684 -12.790 1.00 71.23 N ATOM 624 CA GLU A 42 -9.769 10.631 -13.762 1.00 24.03 C ATOM 625 C GLU A 42 -9.392 12.062 -13.390 1.00 44.33 C ATOM 626 O GLU A 42 -9.459 12.451 -12.224 1.00 12.32 O ATOM 627 CB GLU A 42 -11.290 10.500 -13.851 1.00 75.30 C ATOM 628 CG GLU A 42 -12.008 10.848 -12.558 1.00 54.51 C ATOM 629 CD GLU A 42 -13.093 9.849 -12.205 1.00 53.54 C ATOM 630 OE1 GLU A 42 -12.771 8.652 -12.057 1.00 3.11 O ATOM 631 OE2 GLU A 42 -14.264 10.264 -12.078 1.00 51.43 O ATOM 0 H GLU A 42 -9.581 9.813 -11.839 1.00 71.23 H new ATOM 0 HA GLU A 42 -9.334 10.399 -14.734 1.00 24.03 H new ATOM 0 HB2 GLU A 42 -11.656 11.150 -14.646 1.00 75.30 H new ATOM 0 HB3 GLU A 42 -11.542 9.478 -14.133 1.00 75.30 H new ATOM 0 HG2 GLU A 42 -11.283 10.893 -11.745 1.00 54.51 H new ATOM 0 HG3 GLU A 42 -12.449 11.841 -12.648 1.00 54.51 H new ATOM 638 N HIS A 43 -8.993 12.842 -14.391 1.00 35.32 N ATOM 639 CA HIS A 43 -8.605 14.230 -14.170 1.00 53.33 C ATOM 640 C HIS A 43 -8.807 15.058 -15.436 1.00 14.43 C ATOM 641 O HIS A 43 -8.542 14.592 -16.543 1.00 44.04 O ATOM 642 CB HIS A 43 -7.145 14.309 -13.723 1.00 73.11 C ATOM 643 CG HIS A 43 -6.981 14.503 -12.247 1.00 44.52 C ATOM 644 ND1 HIS A 43 -7.770 15.359 -11.508 1.00 43.32 N ATOM 645 CD2 HIS A 43 -6.112 13.945 -11.372 1.00 43.42 C ATOM 646 CE1 HIS A 43 -7.392 15.321 -10.243 1.00 33.41 C ATOM 647 NE2 HIS A 43 -6.388 14.470 -10.133 1.00 60.35 N ATOM 0 H HIS A 43 -8.930 12.536 -15.362 1.00 35.32 H new ATOM 0 HA HIS A 43 -9.240 14.638 -13.384 1.00 53.33 H new ATOM 0 HB2 HIS A 43 -6.632 13.394 -14.020 1.00 73.11 H new ATOM 0 HB3 HIS A 43 -6.657 15.132 -14.246 1.00 73.11 H new ATOM 0 HD2 HIS A 43 -5.345 13.222 -11.605 1.00 43.42 H new ATOM 0 HE1 HIS A 43 -7.830 15.889 -9.436 1.00 33.41 H new ATOM 0 HE2 HIS A 43 -5.897 14.240 -9.269 1.00 60.35 H new ATOM 655 N SER A 44 -9.280 16.289 -15.263 1.00 22.32 N ATOM 656 CA SER A 44 -9.522 17.180 -16.391 1.00 40.12 C ATOM 657 C SER A 44 -8.691 18.453 -16.266 1.00 10.54 C ATOM 658 O SER A 44 -8.767 19.162 -15.261 1.00 61.43 O ATOM 659 CB SER A 44 -11.008 17.534 -16.479 1.00 62.23 C ATOM 660 OG SER A 44 -11.309 18.672 -15.690 1.00 62.32 O ATOM 0 H SER A 44 -9.503 16.691 -14.352 1.00 22.32 H new ATOM 0 HA SER A 44 -9.225 16.661 -17.302 1.00 40.12 H new ATOM 0 HB2 SER A 44 -11.278 17.726 -17.517 1.00 62.23 H new ATOM 0 HB3 SER A 44 -11.607 16.687 -16.145 1.00 62.23 H new ATOM 0 HG SER A 44 -10.529 18.909 -15.147 1.00 62.32 H new ATOM 666 N PHE A 45 -7.898 18.738 -17.293 1.00 5.31 N ATOM 667 CA PHE A 45 -7.051 19.925 -17.299 1.00 3.54 C ATOM 668 C PHE A 45 -6.324 20.082 -15.966 1.00 33.21 C ATOM 669 O PHE A 45 -6.591 21.013 -15.205 1.00 31.52 O ATOM 670 CB PHE A 45 -7.888 21.174 -17.585 1.00 61.34 C ATOM 671 CG PHE A 45 -7.064 22.382 -17.929 1.00 74.23 C ATOM 672 CD1 PHE A 45 -6.372 22.446 -19.128 1.00 3.35 C ATOM 673 CD2 PHE A 45 -6.983 23.453 -17.054 1.00 24.20 C ATOM 674 CE1 PHE A 45 -5.613 23.557 -19.447 1.00 73.33 C ATOM 675 CE2 PHE A 45 -6.226 24.566 -17.368 1.00 72.15 C ATOM 676 CZ PHE A 45 -5.540 24.617 -18.566 1.00 3.51 C ATOM 0 H PHE A 45 -7.824 18.163 -18.132 1.00 5.31 H new ATOM 0 HA PHE A 45 -6.308 19.805 -18.087 1.00 3.54 H new ATOM 0 HB2 PHE A 45 -8.571 20.963 -18.408 1.00 61.34 H new ATOM 0 HB3 PHE A 45 -8.501 21.399 -16.712 1.00 61.34 H new ATOM 0 HD1 PHE A 45 -6.426 21.619 -19.821 1.00 3.35 H new ATOM 0 HD2 PHE A 45 -7.517 23.418 -16.116 1.00 24.20 H new ATOM 0 HE1 PHE A 45 -5.078 23.595 -20.384 1.00 73.33 H new ATOM 0 HE2 PHE A 45 -6.171 25.395 -16.678 1.00 72.15 H new ATOM 0 HZ PHE A 45 -4.947 25.485 -18.813 1.00 3.51 H new ATOM 686 N THR A 46 -5.404 19.163 -15.689 1.00 1.20 N ATOM 687 CA THR A 46 -4.640 19.197 -14.448 1.00 63.45 C ATOM 688 C THR A 46 -3.469 18.222 -14.498 1.00 22.35 C ATOM 689 O THR A 46 -2.363 18.543 -14.063 1.00 23.23 O ATOM 690 CB THR A 46 -5.525 18.858 -13.234 1.00 64.31 C ATOM 691 OG1 THR A 46 -4.710 18.670 -12.071 1.00 51.24 O ATOM 692 CG2 THR A 46 -6.343 17.602 -13.494 1.00 64.24 C ATOM 0 H THR A 46 -5.170 18.386 -16.307 1.00 1.20 H new ATOM 0 HA THR A 46 -4.260 20.213 -14.338 1.00 63.45 H new ATOM 0 HB THR A 46 -6.209 19.690 -13.068 1.00 64.31 H new ATOM 0 HG1 THR A 46 -5.280 18.456 -11.303 1.00 51.24 H new ATOM 0 HG21 THR A 46 -6.960 17.383 -12.623 1.00 64.24 H new ATOM 0 HG22 THR A 46 -6.983 17.758 -14.362 1.00 64.24 H new ATOM 0 HG23 THR A 46 -5.672 16.764 -13.684 1.00 64.24 H new ATOM 700 N ASP A 47 -3.719 17.031 -15.030 1.00 21.42 N ATOM 701 CA ASP A 47 -2.684 16.009 -15.137 1.00 71.34 C ATOM 702 C ASP A 47 -1.442 16.564 -15.827 1.00 23.11 C ATOM 703 O ASP A 47 -1.542 17.313 -16.798 1.00 73.31 O ATOM 704 CB ASP A 47 -3.212 14.797 -15.908 1.00 2.32 C ATOM 705 CG ASP A 47 -3.114 14.979 -17.410 1.00 23.22 C ATOM 706 OD1 ASP A 47 -4.054 15.550 -18.001 1.00 71.44 O ATOM 707 OD2 ASP A 47 -2.096 14.551 -17.994 1.00 33.15 O ATOM 0 H ASP A 47 -4.629 16.749 -15.394 1.00 21.42 H new ATOM 0 HA ASP A 47 -2.410 15.698 -14.129 1.00 71.34 H new ATOM 0 HB2 ASP A 47 -2.650 13.910 -15.615 1.00 2.32 H new ATOM 0 HB3 ASP A 47 -4.252 14.620 -15.633 1.00 2.32 H new ATOM 712 N GLU A 48 -0.272 16.192 -15.317 1.00 22.22 N ATOM 713 CA GLU A 48 0.990 16.655 -15.883 1.00 74.21 C ATOM 714 C GLU A 48 1.539 15.644 -16.886 1.00 5.25 C ATOM 715 O GLU A 48 2.734 15.630 -17.178 1.00 4.43 O ATOM 716 CB GLU A 48 2.014 16.898 -14.773 1.00 21.42 C ATOM 717 CG GLU A 48 1.835 18.227 -14.060 1.00 1.25 C ATOM 718 CD GLU A 48 2.711 19.322 -14.637 1.00 64.31 C ATOM 719 OE1 GLU A 48 3.858 19.474 -14.167 1.00 41.41 O ATOM 720 OE2 GLU A 48 2.250 20.025 -15.560 1.00 13.42 O ATOM 0 H GLU A 48 -0.172 15.572 -14.513 1.00 22.22 H new ATOM 0 HA GLU A 48 0.803 17.593 -16.405 1.00 74.21 H new ATOM 0 HB2 GLU A 48 1.944 16.091 -14.043 1.00 21.42 H new ATOM 0 HB3 GLU A 48 3.016 16.856 -15.199 1.00 21.42 H new ATOM 0 HG2 GLU A 48 0.790 18.531 -14.124 1.00 1.25 H new ATOM 0 HG3 GLU A 48 2.066 18.101 -13.002 1.00 1.25 H new ATOM 727 N GLY A 49 0.657 14.798 -17.409 1.00 1.12 N ATOM 728 CA GLY A 49 1.072 13.795 -18.372 1.00 2.01 C ATOM 729 C GLY A 49 0.795 14.215 -19.802 1.00 23.41 C ATOM 730 O GLY A 49 1.413 13.705 -20.737 1.00 32.31 O ATOM 0 H GLY A 49 -0.338 14.789 -17.183 1.00 1.12 H new ATOM 0 HA2 GLY A 49 2.138 13.601 -18.254 1.00 2.01 H new ATOM 0 HA3 GLY A 49 0.553 12.859 -18.164 1.00 2.01 H new ATOM 734 N VAL A 50 -0.137 15.146 -19.974 1.00 14.13 N ATOM 735 CA VAL A 50 -0.496 15.634 -21.300 1.00 64.22 C ATOM 736 C VAL A 50 -0.024 17.069 -21.504 1.00 11.22 C ATOM 737 O VAL A 50 -0.055 17.880 -20.578 1.00 63.44 O ATOM 738 CB VAL A 50 -2.017 15.567 -21.531 1.00 10.23 C ATOM 739 CG1 VAL A 50 -2.350 15.862 -22.985 1.00 53.52 C ATOM 740 CG2 VAL A 50 -2.559 14.208 -21.116 1.00 72.33 C ATOM 0 H VAL A 50 -0.658 15.578 -19.211 1.00 14.13 H new ATOM 0 HA VAL A 50 0.002 14.985 -22.021 1.00 64.22 H new ATOM 0 HB VAL A 50 -2.495 16.327 -20.913 1.00 10.23 H new ATOM 0 HG11 VAL A 50 -3.429 15.810 -23.129 1.00 53.52 H new ATOM 0 HG12 VAL A 50 -1.997 16.860 -23.244 1.00 53.52 H new ATOM 0 HG13 VAL A 50 -1.863 15.127 -23.626 1.00 53.52 H new ATOM 0 HG21 VAL A 50 -3.635 14.178 -21.286 1.00 72.33 H new ATOM 0 HG22 VAL A 50 -2.077 13.428 -21.706 1.00 72.33 H new ATOM 0 HG23 VAL A 50 -2.354 14.042 -20.058 1.00 72.33 H new ATOM 750 N GLU A 51 0.411 17.376 -22.722 1.00 3.22 N ATOM 751 CA GLU A 51 0.890 18.715 -23.046 1.00 72.14 C ATOM 752 C GLU A 51 0.178 19.263 -24.280 1.00 14.03 C ATOM 753 O GLU A 51 0.160 18.626 -25.333 1.00 44.25 O ATOM 754 CB GLU A 51 2.401 18.697 -23.283 1.00 24.03 C ATOM 755 CG GLU A 51 3.209 18.388 -22.033 1.00 41.13 C ATOM 756 CD GLU A 51 4.605 17.888 -22.350 1.00 4.50 C ATOM 757 OE1 GLU A 51 4.761 16.671 -22.578 1.00 63.55 O ATOM 758 OE2 GLU A 51 5.542 18.714 -22.369 1.00 54.41 O ATOM 0 H GLU A 51 0.442 16.717 -23.500 1.00 3.22 H new ATOM 0 HA GLU A 51 0.670 19.366 -22.200 1.00 72.14 H new ATOM 0 HB2 GLU A 51 2.632 17.955 -24.047 1.00 24.03 H new ATOM 0 HB3 GLU A 51 2.710 19.666 -23.675 1.00 24.03 H new ATOM 0 HG2 GLU A 51 3.279 19.286 -21.419 1.00 41.13 H new ATOM 0 HG3 GLU A 51 2.684 17.638 -21.442 1.00 41.13 H new ATOM 765 N ILE A 52 -0.409 20.447 -24.139 1.00 61.05 N ATOM 766 CA ILE A 52 -1.122 21.081 -25.241 1.00 42.04 C ATOM 767 C ILE A 52 -0.369 22.305 -25.751 1.00 52.41 C ATOM 768 O ILE A 52 0.082 23.140 -24.967 1.00 50.31 O ATOM 769 CB ILE A 52 -2.543 21.503 -24.824 1.00 1.01 C ATOM 770 CG1 ILE A 52 -3.490 20.302 -24.871 1.00 63.00 C ATOM 771 CG2 ILE A 52 -3.050 22.620 -25.724 1.00 61.32 C ATOM 772 CD1 ILE A 52 -3.134 19.213 -23.883 1.00 51.10 C ATOM 0 H ILE A 52 -0.405 20.986 -23.273 1.00 61.05 H new ATOM 0 HA ILE A 52 -1.191 20.342 -26.039 1.00 42.04 H new ATOM 0 HB ILE A 52 -2.509 21.875 -23.800 1.00 1.01 H new ATOM 0 HG12 ILE A 52 -4.506 20.643 -24.673 1.00 63.00 H new ATOM 0 HG13 ILE A 52 -3.484 19.884 -25.878 1.00 63.00 H new ATOM 0 HG21 ILE A 52 -4.056 22.907 -25.416 1.00 61.32 H new ATOM 0 HG22 ILE A 52 -2.386 23.481 -25.644 1.00 61.32 H new ATOM 0 HG23 ILE A 52 -3.072 22.273 -26.757 1.00 61.32 H new ATOM 0 HD11 ILE A 52 -3.847 18.394 -23.972 1.00 51.10 H new ATOM 0 HD12 ILE A 52 -2.130 18.845 -24.094 1.00 51.10 H new ATOM 0 HD13 ILE A 52 -3.168 19.615 -22.870 1.00 51.10 H new ATOM 784 N SER A 53 -0.239 22.407 -27.070 1.00 60.40 N ATOM 785 CA SER A 53 0.461 23.528 -27.685 1.00 52.32 C ATOM 786 C SER A 53 -0.341 24.094 -28.854 1.00 21.24 C ATOM 787 O SER A 53 -1.086 23.373 -29.516 1.00 51.32 O ATOM 788 CB SER A 53 1.846 23.091 -28.166 1.00 74.14 C ATOM 789 OG SER A 53 2.866 23.842 -27.533 1.00 5.23 O ATOM 0 H SER A 53 -0.610 21.726 -27.733 1.00 60.40 H new ATOM 0 HA SER A 53 0.576 24.309 -26.933 1.00 52.32 H new ATOM 0 HB2 SER A 53 1.989 22.031 -27.958 1.00 74.14 H new ATOM 0 HB3 SER A 53 1.915 23.216 -29.247 1.00 74.14 H new ATOM 0 HG SER A 53 3.741 23.542 -27.856 1.00 5.23 H new ATOM 795 N GLY A 54 -0.182 25.391 -29.100 1.00 65.31 N ATOM 796 CA GLY A 54 -0.896 26.032 -30.188 1.00 52.30 C ATOM 797 C GLY A 54 -1.937 27.018 -29.696 1.00 52.21 C ATOM 798 O GLY A 54 -2.312 27.946 -30.414 1.00 20.21 O ATOM 0 H GLY A 54 0.428 26.009 -28.565 1.00 65.31 H new ATOM 0 HA2 GLY A 54 -0.184 26.550 -30.830 1.00 52.30 H new ATOM 0 HA3 GLY A 54 -1.381 25.271 -30.799 1.00 52.30 H new ATOM 802 N TYR A 55 -2.407 26.817 -28.470 1.00 1.41 N ATOM 803 CA TYR A 55 -3.414 27.694 -27.884 1.00 73.23 C ATOM 804 C TYR A 55 -2.765 28.911 -27.233 1.00 32.14 C ATOM 805 O TYR A 55 -1.735 28.798 -26.568 1.00 31.21 O ATOM 806 CB TYR A 55 -4.246 26.931 -26.852 1.00 2.14 C ATOM 807 CG TYR A 55 -4.717 27.790 -25.700 1.00 73.00 C ATOM 808 CD1 TYR A 55 -5.930 28.465 -25.762 1.00 32.33 C ATOM 809 CD2 TYR A 55 -3.950 27.926 -24.550 1.00 21.24 C ATOM 810 CE1 TYR A 55 -6.364 29.251 -24.712 1.00 53.12 C ATOM 811 CE2 TYR A 55 -4.377 28.709 -23.495 1.00 23.15 C ATOM 812 CZ TYR A 55 -5.584 29.370 -23.581 1.00 33.12 C ATOM 813 OH TYR A 55 -6.014 30.151 -22.533 1.00 2.14 O ATOM 0 H TYR A 55 -2.107 26.055 -27.863 1.00 1.41 H new ATOM 0 HA TYR A 55 -4.068 28.040 -28.684 1.00 73.23 H new ATOM 0 HB2 TYR A 55 -5.113 26.495 -27.348 1.00 2.14 H new ATOM 0 HB3 TYR A 55 -3.654 26.104 -26.460 1.00 2.14 H new ATOM 0 HD1 TYR A 55 -6.544 28.374 -26.646 1.00 32.33 H new ATOM 0 HD2 TYR A 55 -3.003 27.411 -24.479 1.00 21.24 H new ATOM 0 HE1 TYR A 55 -7.309 29.770 -24.777 1.00 53.12 H new ATOM 0 HE2 TYR A 55 -3.769 28.803 -22.608 1.00 23.15 H new ATOM 0 HH TYR A 55 -6.994 30.152 -22.506 1.00 2.14 H new ATOM 823 N ASP A 56 -3.376 30.074 -27.428 1.00 0.32 N ATOM 824 CA ASP A 56 -2.860 31.314 -26.858 1.00 71.24 C ATOM 825 C ASP A 56 -3.397 31.528 -25.447 1.00 10.13 C ATOM 826 O ASP A 56 -4.607 31.608 -25.238 1.00 31.12 O ATOM 827 CB ASP A 56 -3.234 32.502 -27.746 1.00 12.24 C ATOM 828 CG ASP A 56 -2.034 33.092 -28.460 1.00 30.21 C ATOM 829 OD1 ASP A 56 -1.387 33.993 -27.887 1.00 50.11 O ATOM 830 OD2 ASP A 56 -1.742 32.653 -29.592 1.00 73.43 O ATOM 0 H ASP A 56 -4.229 30.185 -27.976 1.00 0.32 H new ATOM 0 HA ASP A 56 -1.774 31.237 -26.806 1.00 71.24 H new ATOM 0 HB2 ASP A 56 -3.971 32.183 -28.483 1.00 12.24 H new ATOM 0 HB3 ASP A 56 -3.706 33.273 -27.137 1.00 12.24 H new ATOM 835 N ALA A 57 -2.489 31.619 -24.481 1.00 45.20 N ATOM 836 CA ALA A 57 -2.871 31.825 -23.090 1.00 23.14 C ATOM 837 C ALA A 57 -3.520 33.191 -22.895 1.00 3.02 C ATOM 838 O ALA A 57 -4.136 33.453 -21.862 1.00 52.14 O ATOM 839 CB ALA A 57 -1.658 31.680 -22.182 1.00 41.52 C ATOM 0 H ALA A 57 -1.483 31.553 -24.637 1.00 45.20 H new ATOM 0 HA ALA A 57 -3.603 31.063 -22.824 1.00 23.14 H new ATOM 0 HB1 ALA A 57 -1.958 31.836 -21.146 1.00 41.52 H new ATOM 0 HB2 ALA A 57 -1.239 30.680 -22.291 1.00 41.52 H new ATOM 0 HB3 ALA A 57 -0.907 32.420 -22.458 1.00 41.52 H new ATOM 845 N GLN A 58 -3.376 34.057 -23.893 1.00 1.14 N ATOM 846 CA GLN A 58 -3.948 35.397 -23.829 1.00 64.10 C ATOM 847 C GLN A 58 -5.271 35.460 -24.584 1.00 50.52 C ATOM 848 O GLN A 58 -6.322 35.717 -23.996 1.00 71.54 O ATOM 849 CB GLN A 58 -2.968 36.420 -24.406 1.00 41.20 C ATOM 850 CG GLN A 58 -2.152 37.145 -23.348 1.00 11.32 C ATOM 851 CD GLN A 58 -1.285 38.244 -23.931 1.00 32.04 C ATOM 852 OE1 GLN A 58 -0.871 38.176 -25.088 1.00 74.13 O ATOM 853 NE2 GLN A 58 -1.006 39.265 -23.129 1.00 45.45 N ATOM 0 H GLN A 58 -2.869 33.855 -24.755 1.00 1.14 H new ATOM 0 HA GLN A 58 -4.137 35.635 -22.782 1.00 64.10 H new ATOM 0 HB2 GLN A 58 -2.289 35.914 -25.092 1.00 41.20 H new ATOM 0 HB3 GLN A 58 -3.524 37.154 -24.990 1.00 41.20 H new ATOM 0 HG2 GLN A 58 -2.825 37.574 -22.606 1.00 11.32 H new ATOM 0 HG3 GLN A 58 -1.519 36.426 -22.827 1.00 11.32 H new ATOM 0 HE21 GLN A 58 -1.371 39.280 -22.177 1.00 45.45 H new ATOM 0 HE22 GLN A 58 -0.427 40.034 -23.465 1.00 45.45 H new ATOM 862 N LYS A 59 -5.213 35.226 -25.891 1.00 2.22 N ATOM 863 CA LYS A 59 -6.406 35.256 -26.728 1.00 33.41 C ATOM 864 C LYS A 59 -6.719 33.868 -27.279 1.00 3.01 C ATOM 865 O LYS A 59 -6.005 32.903 -27.003 1.00 2.22 O ATOM 866 CB LYS A 59 -6.221 36.244 -27.881 1.00 51.23 C ATOM 867 CG LYS A 59 -6.802 37.620 -27.602 1.00 65.24 C ATOM 868 CD LYS A 59 -5.820 38.723 -27.963 1.00 74.40 C ATOM 869 CE LYS A 59 -6.541 39.988 -28.403 1.00 20.12 C ATOM 870 NZ LYS A 59 -5.775 41.214 -28.047 1.00 51.53 N ATOM 0 H LYS A 59 -4.351 35.013 -26.394 1.00 2.22 H new ATOM 0 HA LYS A 59 -7.244 35.580 -26.111 1.00 33.41 H new ATOM 0 HB2 LYS A 59 -5.157 36.345 -28.095 1.00 51.23 H new ATOM 0 HB3 LYS A 59 -6.689 35.836 -28.777 1.00 51.23 H new ATOM 0 HG2 LYS A 59 -7.722 37.750 -28.172 1.00 65.24 H new ATOM 0 HG3 LYS A 59 -7.066 37.698 -26.547 1.00 65.24 H new ATOM 0 HD2 LYS A 59 -5.187 38.944 -27.104 1.00 74.40 H new ATOM 0 HD3 LYS A 59 -5.164 38.380 -28.763 1.00 74.40 H new ATOM 0 HE2 LYS A 59 -6.700 39.959 -29.481 1.00 20.12 H new ATOM 0 HE3 LYS A 59 -7.525 40.026 -27.936 1.00 20.12 H new ATOM 0 HZ1 LYS A 59 -6.299 42.055 -28.363 1.00 51.53 H new ATOM 0 HZ2 LYS A 59 -5.645 41.255 -27.016 1.00 51.53 H new ATOM 0 HZ3 LYS A 59 -4.845 41.190 -28.513 1.00 51.53 H new ATOM 884 N THR A 60 -7.790 33.774 -28.061 1.00 44.02 N ATOM 885 CA THR A 60 -8.196 32.505 -28.651 1.00 70.03 C ATOM 886 C THR A 60 -8.805 32.711 -30.033 1.00 53.33 C ATOM 887 O THR A 60 -8.163 32.454 -31.050 1.00 42.44 O ATOM 888 CB THR A 60 -9.214 31.771 -27.758 1.00 61.44 C ATOM 889 OG1 THR A 60 -10.272 32.661 -27.386 1.00 44.44 O ATOM 890 CG2 THR A 60 -8.541 31.224 -26.508 1.00 75.43 C ATOM 0 H THR A 60 -8.392 34.562 -28.300 1.00 44.02 H new ATOM 0 HA THR A 60 -7.297 31.896 -28.741 1.00 70.03 H new ATOM 0 HB THR A 60 -9.626 30.936 -28.325 1.00 61.44 H new ATOM 0 HG1 THR A 60 -9.916 33.370 -26.810 1.00 44.44 H new ATOM 0 HG21 THR A 60 -9.279 30.710 -25.893 1.00 75.43 H new ATOM 0 HG22 THR A 60 -7.756 30.524 -26.794 1.00 75.43 H new ATOM 0 HG23 THR A 60 -8.105 32.046 -25.940 1.00 75.43 H new ATOM 898 N GLY A 61 -10.050 33.178 -30.063 1.00 31.03 N ATOM 899 CA GLY A 61 -10.725 33.411 -31.326 1.00 11.50 C ATOM 900 C GLY A 61 -10.615 32.230 -32.269 1.00 51.02 C ATOM 901 O GLY A 61 -10.047 32.345 -33.355 1.00 44.02 O ATOM 0 H GLY A 61 -10.603 33.399 -29.235 1.00 31.03 H new ATOM 0 HA2 GLY A 61 -11.777 33.625 -31.138 1.00 11.50 H new ATOM 0 HA3 GLY A 61 -10.301 34.294 -31.804 1.00 11.50 H new ATOM 905 N ARG A 62 -11.159 31.091 -31.854 1.00 23.41 N ATOM 906 CA ARG A 62 -11.116 29.882 -32.669 1.00 13.35 C ATOM 907 C ARG A 62 -9.678 29.414 -32.873 1.00 13.35 C ATOM 908 O ARG A 62 -9.194 29.341 -34.002 1.00 35.54 O ATOM 909 CB ARG A 62 -11.780 30.132 -34.024 1.00 62.01 C ATOM 910 CG ARG A 62 -12.203 28.859 -34.739 1.00 15.05 C ATOM 911 CD ARG A 62 -11.276 28.537 -35.900 1.00 11.01 C ATOM 912 NE ARG A 62 -11.977 27.863 -36.990 1.00 12.34 N ATOM 913 CZ ARG A 62 -11.418 27.584 -38.162 1.00 20.14 C ATOM 914 NH1 ARG A 62 -10.156 27.918 -38.394 1.00 52.03 N ATOM 915 NH2 ARG A 62 -12.121 26.968 -39.104 1.00 11.43 N ATOM 0 H ARG A 62 -11.635 30.980 -30.959 1.00 23.41 H new ATOM 0 HA ARG A 62 -11.663 29.099 -32.143 1.00 13.35 H new ATOM 0 HB2 ARG A 62 -12.655 30.765 -33.879 1.00 62.01 H new ATOM 0 HB3 ARG A 62 -11.089 30.684 -34.661 1.00 62.01 H new ATOM 0 HG2 ARG A 62 -12.206 28.028 -34.033 1.00 15.05 H new ATOM 0 HG3 ARG A 62 -13.223 28.969 -35.106 1.00 15.05 H new ATOM 0 HD2 ARG A 62 -10.828 29.458 -36.272 1.00 11.01 H new ATOM 0 HD3 ARG A 62 -10.460 27.905 -35.548 1.00 11.01 H new ATOM 0 HE ARG A 62 -12.949 27.592 -36.843 1.00 12.34 H new ATOM 0 HH11 ARG A 62 -9.612 28.390 -37.672 1.00 52.03 H new ATOM 0 HH12 ARG A 62 -9.729 27.703 -39.295 1.00 52.03 H new ATOM 0 HH21 ARG A 62 -13.092 26.708 -38.928 1.00 11.43 H new ATOM 0 HH22 ARG A 62 -11.691 26.754 -40.004 1.00 11.43 H new ATOM 929 N GLN A 63 -9.002 29.100 -31.772 1.00 41.43 N ATOM 930 CA GLN A 63 -7.619 28.641 -31.831 1.00 52.12 C ATOM 931 C GLN A 63 -7.548 27.119 -31.766 1.00 10.12 C ATOM 932 O GLN A 63 -8.362 26.476 -31.102 1.00 1.24 O ATOM 933 CB GLN A 63 -6.808 29.251 -30.687 1.00 2.11 C ATOM 934 CG GLN A 63 -6.032 30.496 -31.087 1.00 71.32 C ATOM 935 CD GLN A 63 -4.594 30.193 -31.459 1.00 30.30 C ATOM 936 OE1 GLN A 63 -3.711 30.168 -30.601 1.00 70.41 O ATOM 937 NE2 GLN A 63 -4.351 29.960 -32.744 1.00 2.15 N ATOM 0 H GLN A 63 -9.389 29.155 -30.830 1.00 41.43 H new ATOM 0 HA GLN A 63 -7.195 28.966 -32.781 1.00 52.12 H new ATOM 0 HB2 GLN A 63 -7.482 29.501 -29.868 1.00 2.11 H new ATOM 0 HB3 GLN A 63 -6.110 28.504 -30.309 1.00 2.11 H new ATOM 0 HG2 GLN A 63 -6.529 30.973 -31.932 1.00 71.32 H new ATOM 0 HG3 GLN A 63 -6.048 31.209 -30.263 1.00 71.32 H new ATOM 0 HE21 GLN A 63 -5.113 29.991 -33.421 1.00 2.15 H new ATOM 0 HE22 GLN A 63 -3.402 29.750 -33.054 1.00 2.15 H new ATOM 946 N THR A 64 -6.569 26.547 -32.460 1.00 30.22 N ATOM 947 CA THR A 64 -6.392 25.100 -32.482 1.00 13.40 C ATOM 948 C THR A 64 -5.449 24.645 -31.374 1.00 73.34 C ATOM 949 O THR A 64 -4.568 25.393 -30.948 1.00 72.42 O ATOM 950 CB THR A 64 -5.841 24.622 -33.839 1.00 12.53 C ATOM 951 OG1 THR A 64 -5.030 25.646 -34.426 1.00 25.33 O ATOM 952 CG2 THR A 64 -6.975 24.261 -34.786 1.00 51.55 C ATOM 0 H THR A 64 -5.886 27.064 -33.014 1.00 30.22 H new ATOM 0 HA THR A 64 -7.376 24.658 -32.322 1.00 13.40 H new ATOM 0 HB THR A 64 -5.235 23.732 -33.668 1.00 12.53 H new ATOM 0 HG1 THR A 64 -4.682 25.334 -35.287 1.00 25.33 H new ATOM 0 HG21 THR A 64 -6.562 23.926 -35.738 1.00 51.55 H new ATOM 0 HG22 THR A 64 -7.573 23.462 -34.349 1.00 51.55 H new ATOM 0 HG23 THR A 64 -7.604 25.136 -34.951 1.00 51.55 H new ATOM 960 N LEU A 65 -5.639 23.414 -30.912 1.00 24.21 N ATOM 961 CA LEU A 65 -4.803 22.857 -29.853 1.00 54.41 C ATOM 962 C LEU A 65 -4.323 21.456 -30.218 1.00 13.32 C ATOM 963 O LEU A 65 -5.004 20.721 -30.935 1.00 3.54 O ATOM 964 CB LEU A 65 -5.577 22.817 -28.534 1.00 75.54 C ATOM 965 CG LEU A 65 -6.100 24.159 -28.021 1.00 72.30 C ATOM 966 CD1 LEU A 65 -7.537 24.378 -28.467 1.00 74.25 C ATOM 967 CD2 LEU A 65 -5.995 24.227 -26.505 1.00 5.45 C ATOM 0 H LEU A 65 -6.364 22.783 -31.253 1.00 24.21 H new ATOM 0 HA LEU A 65 -3.931 23.500 -29.736 1.00 54.41 H new ATOM 0 HB2 LEU A 65 -6.424 22.141 -28.653 1.00 75.54 H new ATOM 0 HB3 LEU A 65 -4.931 22.386 -27.770 1.00 75.54 H new ATOM 0 HG LEU A 65 -5.485 24.953 -28.445 1.00 72.30 H new ATOM 0 HD11 LEU A 65 -7.892 25.338 -28.092 1.00 74.25 H new ATOM 0 HD12 LEU A 65 -7.585 24.373 -29.556 1.00 74.25 H new ATOM 0 HD13 LEU A 65 -8.166 23.580 -28.073 1.00 74.25 H new ATOM 0 HD21 LEU A 65 -6.372 25.189 -26.157 1.00 5.45 H new ATOM 0 HD22 LEU A 65 -6.586 23.425 -26.063 1.00 5.45 H new ATOM 0 HD23 LEU A 65 -4.952 24.116 -26.207 1.00 5.45 H new ATOM 979 N THR A 66 -3.147 21.091 -29.718 1.00 21.50 N ATOM 980 CA THR A 66 -2.576 19.777 -29.990 1.00 1.51 C ATOM 981 C THR A 66 -2.065 19.125 -28.711 1.00 22.43 C ATOM 982 O THR A 66 -1.040 19.531 -28.161 1.00 31.22 O ATOM 983 CB THR A 66 -1.420 19.867 -31.004 1.00 74.55 C ATOM 984 OG1 THR A 66 -1.100 21.238 -31.263 1.00 50.00 O ATOM 985 CG2 THR A 66 -1.789 19.172 -32.307 1.00 11.41 C ATOM 0 H THR A 66 -2.571 21.686 -29.123 1.00 21.50 H new ATOM 0 HA THR A 66 -3.374 19.166 -30.412 1.00 1.51 H new ATOM 0 HB THR A 66 -0.551 19.367 -30.576 1.00 74.55 H new ATOM 0 HG1 THR A 66 -1.033 21.724 -30.415 1.00 50.00 H new ATOM 0 HG21 THR A 66 -0.958 19.248 -33.008 1.00 11.41 H new ATOM 0 HG22 THR A 66 -2.003 18.121 -32.111 1.00 11.41 H new ATOM 0 HG23 THR A 66 -2.671 19.648 -32.736 1.00 11.41 H new ATOM 993 N LEU A 67 -2.784 18.111 -28.242 1.00 24.24 N ATOM 994 CA LEU A 67 -2.402 17.400 -27.026 1.00 41.11 C ATOM 995 C LEU A 67 -1.648 16.117 -27.360 1.00 21.24 C ATOM 996 O LEU A 67 -2.163 15.247 -28.063 1.00 23.33 O ATOM 997 CB LEU A 67 -3.642 17.074 -26.191 1.00 43.55 C ATOM 998 CG LEU A 67 -4.669 16.151 -26.848 1.00 10.34 C ATOM 999 CD1 LEU A 67 -4.824 14.869 -26.045 1.00 10.03 C ATOM 1000 CD2 LEU A 67 -6.009 16.859 -26.989 1.00 44.23 C ATOM 0 H LEU A 67 -3.634 17.763 -28.685 1.00 24.24 H new ATOM 0 HA LEU A 67 -1.743 18.047 -26.448 1.00 41.11 H new ATOM 0 HB2 LEU A 67 -3.317 16.616 -25.257 1.00 43.55 H new ATOM 0 HB3 LEU A 67 -4.137 18.010 -25.932 1.00 43.55 H new ATOM 0 HG LEU A 67 -4.311 15.891 -27.844 1.00 10.34 H new ATOM 0 HD11 LEU A 67 -5.559 14.224 -26.527 1.00 10.03 H new ATOM 0 HD12 LEU A 67 -3.865 14.353 -25.995 1.00 10.03 H new ATOM 0 HD13 LEU A 67 -5.159 15.110 -25.036 1.00 10.03 H new ATOM 0 HD21 LEU A 67 -6.728 16.187 -27.458 1.00 44.23 H new ATOM 0 HD22 LEU A 67 -6.373 17.148 -26.003 1.00 44.23 H new ATOM 0 HD23 LEU A 67 -5.887 17.749 -27.606 1.00 44.23 H new ATOM 1012 N HIS A 68 -0.426 16.005 -26.849 1.00 22.33 N ATOM 1013 CA HIS A 68 0.398 14.826 -27.090 1.00 65.30 C ATOM 1014 C HIS A 68 0.806 14.169 -25.774 1.00 51.15 C ATOM 1015 O HIS A 68 1.325 14.829 -24.874 1.00 45.45 O ATOM 1016 CB HIS A 68 1.644 15.204 -27.892 1.00 61.20 C ATOM 1017 CG HIS A 68 1.934 14.268 -29.025 1.00 20.02 C ATOM 1018 ND1 HIS A 68 2.133 12.915 -28.851 1.00 23.32 N ATOM 1019 CD2 HIS A 68 2.056 14.497 -30.353 1.00 62.03 C ATOM 1020 CE1 HIS A 68 2.367 12.352 -30.023 1.00 2.10 C ATOM 1021 NE2 HIS A 68 2.325 13.291 -30.951 1.00 65.44 N ATOM 0 H HIS A 68 0.015 16.716 -26.266 1.00 22.33 H new ATOM 0 HA HIS A 68 -0.192 14.112 -27.664 1.00 65.30 H new ATOM 0 HB2 HIS A 68 1.520 16.212 -28.287 1.00 61.20 H new ATOM 0 HB3 HIS A 68 2.504 15.228 -27.222 1.00 61.20 H new ATOM 0 HD2 HIS A 68 1.960 15.451 -30.850 1.00 62.03 H new ATOM 0 HE1 HIS A 68 2.560 11.303 -30.193 1.00 2.10 H new ATOM 0 HE2 HIS A 68 2.469 13.144 -31.950 1.00 65.44 H new ATOM 1029 N TYR A 69 0.566 12.867 -25.670 1.00 31.12 N ATOM 1030 CA TYR A 69 0.905 12.122 -24.463 1.00 71.22 C ATOM 1031 C TYR A 69 1.467 10.747 -24.812 1.00 3.13 C ATOM 1032 O TYR A 69 0.789 9.926 -25.428 1.00 31.45 O ATOM 1033 CB TYR A 69 -0.327 11.969 -23.570 1.00 12.54 C ATOM 1034 CG TYR A 69 -1.529 11.398 -24.288 1.00 11.43 C ATOM 1035 CD1 TYR A 69 -2.344 12.206 -25.070 1.00 53.55 C ATOM 1036 CD2 TYR A 69 -1.849 10.050 -24.184 1.00 2.11 C ATOM 1037 CE1 TYR A 69 -3.444 11.689 -25.728 1.00 23.05 C ATOM 1038 CE2 TYR A 69 -2.945 9.524 -24.839 1.00 35.33 C ATOM 1039 CZ TYR A 69 -3.740 10.347 -25.609 1.00 10.12 C ATOM 1040 OH TYR A 69 -4.834 9.828 -26.263 1.00 25.51 O ATOM 0 H TYR A 69 0.138 12.306 -26.406 1.00 31.12 H new ATOM 0 HA TYR A 69 1.669 12.682 -23.924 1.00 71.22 H new ATOM 0 HB2 TYR A 69 -0.077 11.324 -22.728 1.00 12.54 H new ATOM 0 HB3 TYR A 69 -0.590 12.943 -23.158 1.00 12.54 H new ATOM 0 HD1 TYR A 69 -2.114 13.257 -25.166 1.00 53.55 H new ATOM 0 HD2 TYR A 69 -1.230 9.403 -23.581 1.00 2.11 H new ATOM 0 HE1 TYR A 69 -4.068 12.332 -26.332 1.00 23.05 H new ATOM 0 HE2 TYR A 69 -3.178 8.473 -24.749 1.00 35.33 H new ATOM 0 HH TYR A 69 -4.902 8.868 -26.076 1.00 25.51 H new ATOM 1050 N GLN A 70 2.712 10.506 -24.412 1.00 73.51 N ATOM 1051 CA GLN A 70 3.366 9.231 -24.682 1.00 22.22 C ATOM 1052 C GLN A 70 3.580 9.035 -26.179 1.00 65.10 C ATOM 1053 O GLN A 70 4.670 9.274 -26.697 1.00 4.41 O ATOM 1054 CB GLN A 70 2.535 8.077 -24.118 1.00 54.24 C ATOM 1055 CG GLN A 70 3.104 7.485 -22.839 1.00 53.01 C ATOM 1056 CD GLN A 70 3.900 6.219 -23.086 1.00 32.21 C ATOM 1057 OE1 GLN A 70 5.114 6.185 -22.881 1.00 54.01 O ATOM 1058 NE2 GLN A 70 3.219 5.168 -23.528 1.00 61.12 N ATOM 0 H GLN A 70 3.287 11.176 -23.901 1.00 73.51 H new ATOM 0 HA GLN A 70 4.340 9.241 -24.193 1.00 22.22 H new ATOM 0 HB2 GLN A 70 1.522 8.430 -23.926 1.00 54.24 H new ATOM 0 HB3 GLN A 70 2.461 7.292 -24.870 1.00 54.24 H new ATOM 0 HG2 GLN A 70 3.743 8.223 -22.355 1.00 53.01 H new ATOM 0 HG3 GLN A 70 2.288 7.268 -22.149 1.00 53.01 H new ATOM 0 HE21 GLN A 70 2.214 5.241 -23.684 1.00 61.12 H new ATOM 0 HE22 GLN A 70 3.701 4.288 -23.711 1.00 61.12 H new ATOM 1067 N GLY A 71 2.532 8.597 -26.870 1.00 0.22 N ATOM 1068 CA GLY A 71 2.627 8.376 -28.301 1.00 35.00 C ATOM 1069 C GLY A 71 1.323 8.663 -29.019 1.00 41.44 C ATOM 1070 O GLY A 71 1.153 8.297 -30.183 1.00 1.12 O ATOM 0 H GLY A 71 1.619 8.391 -26.464 1.00 0.22 H new ATOM 0 HA2 GLY A 71 3.412 9.010 -28.712 1.00 35.00 H new ATOM 0 HA3 GLY A 71 2.921 7.343 -28.487 1.00 35.00 H new ATOM 1074 N HIS A 72 0.399 9.320 -28.325 1.00 73.32 N ATOM 1075 CA HIS A 72 -0.897 9.655 -28.904 1.00 53.02 C ATOM 1076 C HIS A 72 -1.038 11.164 -29.084 1.00 31.40 C ATOM 1077 O HIS A 72 -0.452 11.944 -28.334 1.00 53.04 O ATOM 1078 CB HIS A 72 -2.027 9.128 -28.019 1.00 61.40 C ATOM 1079 CG HIS A 72 -2.607 7.832 -28.497 1.00 12.11 C ATOM 1080 ND1 HIS A 72 -1.996 6.613 -28.292 1.00 73.05 N ATOM 1081 CD2 HIS A 72 -3.751 7.570 -29.172 1.00 22.23 C ATOM 1082 CE1 HIS A 72 -2.738 5.657 -28.822 1.00 71.15 C ATOM 1083 NE2 HIS A 72 -3.809 6.211 -29.362 1.00 1.11 N ATOM 0 H HIS A 72 0.524 9.631 -27.362 1.00 73.32 H new ATOM 0 HA HIS A 72 -0.962 9.182 -29.884 1.00 53.02 H new ATOM 0 HB2 HIS A 72 -1.651 8.996 -27.004 1.00 61.40 H new ATOM 0 HB3 HIS A 72 -2.819 9.875 -27.971 1.00 61.40 H new ATOM 0 HD2 HIS A 72 -4.482 8.295 -29.500 1.00 22.23 H new ATOM 0 HE1 HIS A 72 -2.508 4.602 -28.815 1.00 71.15 H new ATOM 0 HE2 HIS A 72 -4.557 5.711 -29.842 1.00 1.11 H new ATOM 1091 N GLU A 73 -1.818 11.566 -30.083 1.00 21.43 N ATOM 1092 CA GLU A 73 -2.033 12.981 -30.361 1.00 33.32 C ATOM 1093 C GLU A 73 -3.485 13.244 -30.750 1.00 32.04 C ATOM 1094 O GLU A 73 -4.073 12.503 -31.538 1.00 22.02 O ATOM 1095 CB GLU A 73 -1.101 13.451 -31.479 1.00 40.22 C ATOM 1096 CG GLU A 73 -0.930 14.960 -31.535 1.00 74.01 C ATOM 1097 CD GLU A 73 -0.147 15.414 -32.751 1.00 64.22 C ATOM 1098 OE1 GLU A 73 0.193 14.555 -33.592 1.00 20.22 O ATOM 1099 OE2 GLU A 73 0.127 16.627 -32.862 1.00 64.14 O ATOM 0 H GLU A 73 -2.311 10.932 -30.712 1.00 21.43 H new ATOM 0 HA GLU A 73 -1.811 13.542 -29.453 1.00 33.32 H new ATOM 0 HB2 GLU A 73 -0.124 12.988 -31.344 1.00 40.22 H new ATOM 0 HB3 GLU A 73 -1.490 13.102 -32.436 1.00 40.22 H new ATOM 0 HG2 GLU A 73 -1.912 15.433 -31.543 1.00 74.01 H new ATOM 0 HG3 GLU A 73 -0.420 15.298 -30.633 1.00 74.01 H new ATOM 1106 N VAL A 74 -4.059 14.305 -30.190 1.00 65.21 N ATOM 1107 CA VAL A 74 -5.441 14.667 -30.478 1.00 12.23 C ATOM 1108 C VAL A 74 -5.585 16.172 -30.678 1.00 65.35 C ATOM 1109 O VAL A 74 -4.898 16.963 -30.032 1.00 30.21 O ATOM 1110 CB VAL A 74 -6.386 14.219 -29.347 1.00 2.03 C ATOM 1111 CG1 VAL A 74 -7.819 14.624 -29.656 1.00 30.01 C ATOM 1112 CG2 VAL A 74 -6.282 12.717 -29.131 1.00 33.24 C ATOM 0 H VAL A 74 -3.588 14.928 -29.534 1.00 65.21 H new ATOM 0 HA VAL A 74 -5.717 14.152 -31.398 1.00 12.23 H new ATOM 0 HB VAL A 74 -6.084 14.717 -28.426 1.00 2.03 H new ATOM 0 HG11 VAL A 74 -8.472 14.299 -28.846 1.00 30.01 H new ATOM 0 HG12 VAL A 74 -7.877 15.708 -29.756 1.00 30.01 H new ATOM 0 HG13 VAL A 74 -8.137 14.156 -30.588 1.00 30.01 H new ATOM 0 HG21 VAL A 74 -6.956 12.417 -28.329 1.00 33.24 H new ATOM 0 HG22 VAL A 74 -6.557 12.198 -30.049 1.00 33.24 H new ATOM 0 HG23 VAL A 74 -5.258 12.458 -28.860 1.00 33.24 H new ATOM 1122 N SER A 75 -6.482 16.560 -31.579 1.00 2.21 N ATOM 1123 CA SER A 75 -6.714 17.971 -31.868 1.00 24.51 C ATOM 1124 C SER A 75 -7.874 18.511 -31.039 1.00 14.34 C ATOM 1125 O SER A 75 -8.851 17.807 -30.784 1.00 34.25 O ATOM 1126 CB SER A 75 -7.001 18.167 -33.358 1.00 10.24 C ATOM 1127 OG SER A 75 -7.089 19.544 -33.683 1.00 33.44 O ATOM 0 H SER A 75 -7.060 15.918 -32.121 1.00 2.21 H new ATOM 0 HA SER A 75 -5.813 18.524 -31.603 1.00 24.51 H new ATOM 0 HB2 SER A 75 -6.212 17.700 -33.948 1.00 10.24 H new ATOM 0 HB3 SER A 75 -7.934 17.668 -33.621 1.00 10.24 H new ATOM 0 HG SER A 75 -7.271 19.643 -34.641 1.00 33.44 H new ATOM 1133 N PHE A 76 -7.760 19.767 -30.620 1.00 43.54 N ATOM 1134 CA PHE A 76 -8.798 20.404 -29.819 1.00 13.21 C ATOM 1135 C PHE A 76 -9.104 21.806 -30.338 1.00 45.14 C ATOM 1136 O PHE A 76 -8.364 22.350 -31.159 1.00 13.32 O ATOM 1137 CB PHE A 76 -8.369 20.474 -28.352 1.00 31.11 C ATOM 1138 CG PHE A 76 -9.099 19.504 -27.467 1.00 64.11 C ATOM 1139 CD1 PHE A 76 -9.024 18.140 -27.702 1.00 4.45 C ATOM 1140 CD2 PHE A 76 -9.860 19.956 -26.401 1.00 61.31 C ATOM 1141 CE1 PHE A 76 -9.693 17.245 -26.889 1.00 54.00 C ATOM 1142 CE2 PHE A 76 -10.531 19.065 -25.585 1.00 55.11 C ATOM 1143 CZ PHE A 76 -10.449 17.708 -25.830 1.00 11.30 C ATOM 0 H PHE A 76 -6.958 20.364 -30.822 1.00 43.54 H new ATOM 0 HA PHE A 76 -9.703 19.801 -29.898 1.00 13.21 H new ATOM 0 HB2 PHE A 76 -7.299 20.280 -28.285 1.00 31.11 H new ATOM 0 HB3 PHE A 76 -8.533 21.486 -27.982 1.00 31.11 H new ATOM 0 HD1 PHE A 76 -8.436 17.773 -28.530 1.00 4.45 H new ATOM 0 HD2 PHE A 76 -9.930 21.016 -26.206 1.00 61.31 H new ATOM 0 HE1 PHE A 76 -9.625 16.184 -27.082 1.00 54.00 H new ATOM 0 HE2 PHE A 76 -11.119 19.430 -24.756 1.00 55.11 H new ATOM 0 HZ PHE A 76 -10.975 17.011 -25.195 1.00 11.30 H new ATOM 1153 N ASP A 77 -10.198 22.384 -29.855 1.00 44.22 N ATOM 1154 CA ASP A 77 -10.602 23.723 -30.269 1.00 64.25 C ATOM 1155 C ASP A 77 -10.940 24.587 -29.059 1.00 5.40 C ATOM 1156 O ASP A 77 -11.626 24.144 -28.138 1.00 53.15 O ATOM 1157 CB ASP A 77 -11.805 23.647 -31.210 1.00 14.11 C ATOM 1158 CG ASP A 77 -11.444 23.991 -32.642 1.00 32.14 C ATOM 1159 OD1 ASP A 77 -11.048 23.073 -33.390 1.00 2.13 O ATOM 1160 OD2 ASP A 77 -11.557 25.178 -33.014 1.00 20.23 O ATOM 0 H ASP A 77 -10.821 21.947 -29.176 1.00 44.22 H new ATOM 0 HA ASP A 77 -9.766 24.181 -30.797 1.00 64.25 H new ATOM 0 HB2 ASP A 77 -12.226 22.642 -31.176 1.00 14.11 H new ATOM 0 HB3 ASP A 77 -12.580 24.329 -30.860 1.00 14.11 H new ATOM 1165 N VAL A 78 -10.451 25.824 -29.066 1.00 74.24 N ATOM 1166 CA VAL A 78 -10.701 26.751 -27.969 1.00 54.14 C ATOM 1167 C VAL A 78 -11.440 27.993 -28.457 1.00 22.43 C ATOM 1168 O VAL A 78 -11.125 28.541 -29.514 1.00 5.35 O ATOM 1169 CB VAL A 78 -9.389 27.182 -27.289 1.00 2.15 C ATOM 1170 CG1 VAL A 78 -8.392 27.685 -28.321 1.00 44.11 C ATOM 1171 CG2 VAL A 78 -9.660 28.245 -26.235 1.00 2.32 C ATOM 0 H VAL A 78 -9.880 26.207 -29.819 1.00 74.24 H new ATOM 0 HA VAL A 78 -11.321 26.224 -27.244 1.00 54.14 H new ATOM 0 HB VAL A 78 -8.955 26.314 -26.794 1.00 2.15 H new ATOM 0 HG11 VAL A 78 -7.471 27.985 -27.821 1.00 44.11 H new ATOM 0 HG12 VAL A 78 -8.175 26.890 -29.035 1.00 44.11 H new ATOM 0 HG13 VAL A 78 -8.814 28.541 -28.848 1.00 44.11 H new ATOM 0 HG21 VAL A 78 -8.722 28.538 -25.764 1.00 2.32 H new ATOM 0 HG22 VAL A 78 -10.118 29.115 -26.705 1.00 2.32 H new ATOM 0 HG23 VAL A 78 -10.335 27.844 -25.479 1.00 2.32 H new ATOM 1181 N LEU A 79 -12.424 28.432 -27.680 1.00 20.30 N ATOM 1182 CA LEU A 79 -13.208 29.610 -28.032 1.00 14.44 C ATOM 1183 C LEU A 79 -13.576 30.411 -26.787 1.00 34.04 C ATOM 1184 O LEU A 79 -14.180 29.883 -25.852 1.00 50.43 O ATOM 1185 CB LEU A 79 -14.477 29.198 -28.780 1.00 51.12 C ATOM 1186 CG LEU A 79 -14.590 29.682 -30.226 1.00 72.24 C ATOM 1187 CD1 LEU A 79 -14.658 28.500 -31.181 1.00 24.31 C ATOM 1188 CD2 LEU A 79 -15.809 30.577 -30.396 1.00 35.53 C ATOM 0 H LEU A 79 -12.698 27.990 -26.802 1.00 20.30 H new ATOM 0 HA LEU A 79 -12.600 30.240 -28.681 1.00 14.44 H new ATOM 0 HB2 LEU A 79 -14.540 28.110 -28.776 1.00 51.12 H new ATOM 0 HB3 LEU A 79 -15.339 29.569 -28.225 1.00 51.12 H new ATOM 0 HG LEU A 79 -13.700 30.265 -30.464 1.00 72.24 H new ATOM 0 HD11 LEU A 79 -14.738 28.864 -32.205 1.00 24.31 H new ATOM 0 HD12 LEU A 79 -13.755 27.898 -31.079 1.00 24.31 H new ATOM 0 HD13 LEU A 79 -15.530 27.890 -30.943 1.00 24.31 H new ATOM 0 HD21 LEU A 79 -15.873 30.912 -31.431 1.00 35.53 H new ATOM 0 HD22 LEU A 79 -16.709 30.019 -30.139 1.00 35.53 H new ATOM 0 HD23 LEU A 79 -15.719 31.443 -29.740 1.00 35.53 H new ATOM 1200 N VAL A 80 -13.210 31.689 -26.781 1.00 74.13 N ATOM 1201 CA VAL A 80 -13.505 32.564 -25.653 1.00 22.22 C ATOM 1202 C VAL A 80 -14.759 33.391 -25.911 1.00 73.31 C ATOM 1203 O VAL A 80 -14.950 33.923 -27.005 1.00 11.05 O ATOM 1204 CB VAL A 80 -12.329 33.514 -25.357 1.00 61.24 C ATOM 1205 CG1 VAL A 80 -12.204 34.565 -26.450 1.00 31.03 C ATOM 1206 CG2 VAL A 80 -12.502 34.167 -23.995 1.00 3.14 C ATOM 0 H VAL A 80 -12.708 32.141 -27.545 1.00 74.13 H new ATOM 0 HA VAL A 80 -13.670 31.921 -24.789 1.00 22.22 H new ATOM 0 HB VAL A 80 -11.408 32.931 -25.340 1.00 61.24 H new ATOM 0 HG11 VAL A 80 -11.368 35.227 -26.224 1.00 31.03 H new ATOM 0 HG12 VAL A 80 -12.030 34.075 -27.408 1.00 31.03 H new ATOM 0 HG13 VAL A 80 -13.124 35.147 -26.502 1.00 31.03 H new ATOM 0 HG21 VAL A 80 -11.662 34.835 -23.802 1.00 3.14 H new ATOM 0 HG22 VAL A 80 -13.430 34.738 -23.981 1.00 3.14 H new ATOM 0 HG23 VAL A 80 -12.538 33.397 -23.224 1.00 3.14 H new ATOM 1216 N SER A 81 -15.612 33.495 -24.897 1.00 32.50 N ATOM 1217 CA SER A 81 -16.851 34.254 -25.015 1.00 12.31 C ATOM 1218 C SER A 81 -16.676 35.667 -24.466 1.00 55.12 C ATOM 1219 O SER A 81 -15.920 35.906 -23.524 1.00 71.34 O ATOM 1220 CB SER A 81 -17.983 33.543 -24.272 1.00 34.33 C ATOM 1221 OG SER A 81 -19.125 33.399 -25.099 1.00 12.34 O ATOM 0 H SER A 81 -15.467 33.063 -23.984 1.00 32.50 H new ATOM 0 HA SER A 81 -17.107 34.322 -26.072 1.00 12.31 H new ATOM 0 HB2 SER A 81 -17.644 32.561 -23.940 1.00 34.33 H new ATOM 0 HB3 SER A 81 -18.247 34.108 -23.378 1.00 34.33 H new ATOM 0 HG SER A 81 -19.834 32.940 -24.601 1.00 12.34 H new ATOM 1227 N PRO A 82 -17.393 36.628 -25.069 1.00 22.23 N ATOM 1228 CA PRO A 82 -17.335 38.034 -24.658 1.00 32.22 C ATOM 1229 C PRO A 82 -17.984 38.267 -23.298 1.00 3.14 C ATOM 1230 O PRO A 82 -19.207 38.359 -23.189 1.00 4.34 O ATOM 1231 CB PRO A 82 -18.120 38.757 -25.755 1.00 60.44 C ATOM 1232 CG PRO A 82 -19.046 37.725 -26.301 1.00 12.02 C ATOM 1233 CD PRO A 82 -18.315 36.415 -26.197 1.00 45.43 C ATOM 0 HA PRO A 82 -16.309 38.384 -24.548 1.00 32.22 H new ATOM 0 HB2 PRO A 82 -18.669 39.609 -25.353 1.00 60.44 H new ATOM 0 HB3 PRO A 82 -17.456 39.142 -26.529 1.00 60.44 H new ATOM 0 HG2 PRO A 82 -19.977 37.698 -25.735 1.00 12.02 H new ATOM 0 HG3 PRO A 82 -19.308 37.944 -27.336 1.00 12.02 H new ATOM 0 HD2 PRO A 82 -18.998 35.587 -26.007 1.00 45.43 H new ATOM 0 HD3 PRO A 82 -17.778 36.180 -27.116 1.00 45.43 H new