USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 607 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 59 SER OG : rot 126:sc= -0.0241 USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0.372 USER MOD Set 1.3: A 62 HIS : no HD1:sc= -0.921 K(o=-0.57,f=-2.2) USER MOD Set 2.1: A 36 ASN : amide:sc= -0.0653 X(o=0.032,f=0.31) USER MOD Set 2.2: A 40 THR OG1 : rot -130:sc= 0.097 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.19 K(o=-0.19,f=-2.5!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 70:sc= 1.11 USER MOD Single : A 19 LYS NZ :NH3+ 155:sc= -0.0183 (180deg=-0.449) USER MOD Single : A 22 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.72) USER MOD Single : A 24 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.34) USER MOD Single : A 26 LYS NZ :NH3+ 133:sc= -1.61 (180deg=-3.28!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 34 ASN : amide:sc= -1.1 X(o=-1.1,f=-1.1) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 170:sc= 0.964 USER MOD Single : A 42 GLN : amide:sc= -0.0756 K(o=-0.076,f=-0.58) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 160:sc= -0.736 USER MOD Single : A 48 SER OG : rot 180:sc= -0.0859 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.73 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -170:sc= -0.0236 USER MOD Single : A 57 ASN : amide:sc= -2.33 K(o=-2.3,f=-9.3!) USER MOD Single : A 66 SER OG : rot 180:sc= -0.824 USER MOD Single : A 67 THR OG1 : rot 32:sc= 0.302 USER MOD Single : A 69 ASN : amide:sc= -3.27 K(o=-3.3,f=-1.4) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0.022) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -1.02 USER MOD Single : A 83 GLN : amide:sc= -0.136 K(o=-0.14,f=-0.84) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0294 USER MOD Single : A 86 THR OG1 : rot 113:sc= 1.16 USER MOD Single : A 89 LYS NZ :NH3+ 160:sc= -0.0165 (180deg=-0.461) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 15.940 -0.056 1.801 1.00 52.41 N ATOM 72 CA VAL A 6 16.977 -1.065 1.979 1.00 13.13 C ATOM 73 C VAL A 6 17.744 -0.841 3.278 1.00 72.24 C ATOM 74 O VAL A 6 18.820 -0.244 3.280 1.00 40.33 O ATOM 75 CB VAL A 6 17.970 -1.063 0.802 1.00 30.42 C ATOM 76 CG1 VAL A 6 18.427 0.354 0.490 1.00 34.35 C ATOM 77 CG2 VAL A 6 19.160 -1.961 1.108 1.00 13.54 C ATOM 0 HA VAL A 6 16.475 -2.032 2.019 1.00 13.13 H new ATOM 0 HB VAL A 6 17.463 -1.457 -0.079 1.00 30.42 H new ATOM 0 HG11 VAL A 6 19.128 0.335 -0.344 1.00 34.35 H new ATOM 0 HG12 VAL A 6 17.564 0.965 0.225 1.00 34.35 H new ATOM 0 HG13 VAL A 6 18.917 0.779 1.366 1.00 34.35 H new ATOM 0 HG21 VAL A 6 19.852 -1.948 0.266 1.00 13.54 H new ATOM 0 HG22 VAL A 6 19.669 -1.599 2.001 1.00 13.54 H new ATOM 0 HG23 VAL A 6 18.813 -2.980 1.276 1.00 13.54 H new ATOM 87 N SER A 7 17.183 -1.325 4.381 1.00 32.40 N ATOM 88 CA SER A 7 17.812 -1.176 5.688 1.00 44.42 C ATOM 89 C SER A 7 18.828 -2.288 5.932 1.00 11.32 C ATOM 90 O SER A 7 18.476 -3.467 5.971 1.00 73.03 O ATOM 91 CB SER A 7 16.753 -1.185 6.792 1.00 43.12 C ATOM 92 OG SER A 7 16.721 0.055 7.478 1.00 71.42 O ATOM 0 H SER A 7 16.294 -1.824 4.396 1.00 32.40 H new ATOM 0 HA SER A 7 18.335 -0.220 5.705 1.00 44.42 H new ATOM 0 HB2 SER A 7 15.774 -1.390 6.359 1.00 43.12 H new ATOM 0 HB3 SER A 7 16.965 -1.989 7.497 1.00 43.12 H new ATOM 0 HG SER A 7 16.035 0.024 8.177 1.00 71.42 H new ATOM 98 N ILE A 8 20.089 -1.903 6.096 1.00 10.15 N ATOM 99 CA ILE A 8 21.156 -2.866 6.338 1.00 33.42 C ATOM 100 C ILE A 8 21.794 -2.648 7.706 1.00 72.41 C ATOM 101 O ILE A 8 22.327 -1.576 7.990 1.00 53.31 O ATOM 102 CB ILE A 8 22.248 -2.781 5.255 1.00 14.13 C ATOM 103 CG1 ILE A 8 21.632 -2.397 3.908 1.00 14.14 C ATOM 104 CG2 ILE A 8 22.990 -4.104 5.146 1.00 22.24 C ATOM 105 CD1 ILE A 8 21.608 -0.905 3.658 1.00 65.43 C ATOM 0 H ILE A 8 20.397 -0.931 6.066 1.00 10.15 H new ATOM 0 HA ILE A 8 20.701 -3.856 6.306 1.00 33.42 H new ATOM 0 HB ILE A 8 22.962 -2.009 5.540 1.00 14.13 H new ATOM 0 HG12 ILE A 8 22.193 -2.882 3.109 1.00 14.14 H new ATOM 0 HG13 ILE A 8 20.613 -2.782 3.861 1.00 14.14 H new ATOM 0 HG21 ILE A 8 23.758 -4.028 4.377 1.00 22.24 H new ATOM 0 HG22 ILE A 8 23.456 -4.339 6.103 1.00 22.24 H new ATOM 0 HG23 ILE A 8 22.288 -4.894 4.881 1.00 22.24 H new ATOM 0 HD11 ILE A 8 21.158 -0.706 2.685 1.00 65.43 H new ATOM 0 HD12 ILE A 8 21.022 -0.415 4.436 1.00 65.43 H new ATOM 0 HD13 ILE A 8 22.627 -0.517 3.673 1.00 65.43 H new ATOM 117 N SER A 9 21.737 -3.674 8.549 1.00 23.14 N ATOM 118 CA SER A 9 22.308 -3.595 9.889 1.00 41.50 C ATOM 119 C SER A 9 23.696 -4.227 9.927 1.00 70.14 C ATOM 120 O SER A 9 23.838 -5.446 9.828 1.00 3.10 O ATOM 121 CB SER A 9 21.392 -4.288 10.899 1.00 54.02 C ATOM 122 OG SER A 9 20.961 -3.384 11.901 1.00 12.13 O ATOM 0 H SER A 9 21.301 -4.570 8.328 1.00 23.14 H new ATOM 0 HA SER A 9 22.400 -2.542 10.156 1.00 41.50 H new ATOM 0 HB2 SER A 9 20.526 -4.704 10.384 1.00 54.02 H new ATOM 0 HB3 SER A 9 21.920 -5.123 11.360 1.00 54.02 H new ATOM 0 HG SER A 9 20.376 -3.851 12.533 1.00 12.13 H new ATOM 128 N VAL A 10 24.718 -3.389 10.070 1.00 53.11 N ATOM 129 CA VAL A 10 26.095 -3.864 10.122 1.00 61.42 C ATOM 130 C VAL A 10 26.654 -3.776 11.537 1.00 0.24 C ATOM 131 O VAL A 10 26.478 -2.769 12.223 1.00 4.13 O ATOM 132 CB VAL A 10 27.003 -3.060 9.172 1.00 34.20 C ATOM 133 CG1 VAL A 10 27.141 -1.624 9.654 1.00 73.13 C ATOM 134 CG2 VAL A 10 28.366 -3.724 9.050 1.00 40.33 C ATOM 0 H VAL A 10 24.618 -2.377 10.152 1.00 53.11 H new ATOM 0 HA VAL A 10 26.082 -4.907 9.804 1.00 61.42 H new ATOM 0 HB VAL A 10 26.543 -3.043 8.184 1.00 34.20 H new ATOM 0 HG11 VAL A 10 27.786 -1.071 8.971 1.00 73.13 H new ATOM 0 HG12 VAL A 10 26.158 -1.154 9.685 1.00 73.13 H new ATOM 0 HG13 VAL A 10 27.578 -1.616 10.652 1.00 73.13 H new ATOM 0 HG21 VAL A 10 28.995 -3.143 8.375 1.00 40.33 H new ATOM 0 HG22 VAL A 10 28.836 -3.773 10.032 1.00 40.33 H new ATOM 0 HG23 VAL A 10 28.245 -4.733 8.655 1.00 40.33 H new ATOM 144 N SER A 11 27.329 -4.837 11.969 1.00 52.43 N ATOM 145 CA SER A 11 27.912 -4.881 13.305 1.00 55.53 C ATOM 146 C SER A 11 29.433 -4.962 13.231 1.00 22.03 C ATOM 147 O SER A 11 30.044 -5.973 13.579 1.00 72.00 O ATOM 148 CB SER A 11 27.362 -6.077 14.085 1.00 44.34 C ATOM 149 OG SER A 11 26.025 -5.848 14.494 1.00 22.11 O ATOM 0 H SER A 11 27.486 -5.678 11.413 1.00 52.43 H new ATOM 0 HA SER A 11 27.640 -3.962 13.824 1.00 55.53 H new ATOM 0 HB2 SER A 11 27.407 -6.972 13.464 1.00 44.34 H new ATOM 0 HB3 SER A 11 27.986 -6.263 14.959 1.00 44.34 H new ATOM 0 HG SER A 11 25.696 -6.627 14.989 1.00 22.11 H new ATOM 155 N PRO A 12 30.062 -3.872 12.767 1.00 14.44 N ATOM 156 CA PRO A 12 31.520 -3.793 12.637 1.00 34.42 C ATOM 157 C PRO A 12 32.220 -3.742 13.990 1.00 5.45 C ATOM 158 O PRO A 12 31.654 -3.270 14.977 1.00 24.45 O ATOM 159 CB PRO A 12 31.738 -2.486 11.872 1.00 72.04 C ATOM 160 CG PRO A 12 30.536 -1.661 12.180 1.00 21.31 C ATOM 161 CD PRO A 12 29.397 -2.631 12.335 1.00 41.23 C ATOM 0 HA PRO A 12 31.933 -4.669 12.137 1.00 34.42 H new ATOM 0 HB2 PRO A 12 32.653 -1.988 12.193 1.00 72.04 H new ATOM 0 HB3 PRO A 12 31.831 -2.665 10.801 1.00 72.04 H new ATOM 0 HG2 PRO A 12 30.683 -1.083 13.092 1.00 21.31 H new ATOM 0 HG3 PRO A 12 30.336 -0.949 11.380 1.00 21.31 H new ATOM 0 HD2 PRO A 12 28.673 -2.286 13.073 1.00 41.23 H new ATOM 0 HD3 PRO A 12 28.857 -2.770 11.398 1.00 41.23 H new ATOM 169 N THR A 13 33.457 -4.229 14.031 1.00 51.34 N ATOM 170 CA THR A 13 34.235 -4.238 15.263 1.00 71.51 C ATOM 171 C THR A 13 35.471 -3.355 15.140 1.00 50.12 C ATOM 172 O THR A 13 36.389 -3.659 14.379 1.00 0.54 O ATOM 173 CB THR A 13 34.674 -5.666 15.639 1.00 72.31 C ATOM 174 OG1 THR A 13 35.683 -5.617 16.654 1.00 73.41 O ATOM 175 CG2 THR A 13 35.207 -6.407 14.422 1.00 42.43 C ATOM 0 H THR A 13 33.941 -4.622 13.224 1.00 51.34 H new ATOM 0 HA THR A 13 33.588 -3.845 16.048 1.00 71.51 H new ATOM 0 HB THR A 13 33.804 -6.202 16.018 1.00 72.31 H new ATOM 0 HG1 THR A 13 35.956 -6.529 16.889 1.00 73.41 H new ATOM 0 HG21 THR A 13 35.511 -7.413 14.713 1.00 42.43 H new ATOM 0 HG22 THR A 13 34.427 -6.468 13.663 1.00 42.43 H new ATOM 0 HG23 THR A 13 36.066 -5.871 14.017 1.00 42.43 H new ATOM 183 N ASN A 14 35.488 -2.260 15.894 1.00 73.44 N ATOM 184 CA ASN A 14 36.612 -1.332 15.868 1.00 24.25 C ATOM 185 C ASN A 14 37.570 -1.607 17.024 1.00 41.30 C ATOM 186 O ASN A 14 37.291 -1.259 18.171 1.00 34.23 O ATOM 187 CB ASN A 14 36.111 0.112 15.939 1.00 32.51 C ATOM 188 CG ASN A 14 35.307 0.505 14.715 1.00 73.31 C ATOM 189 OD1 ASN A 14 34.470 -0.261 14.236 1.00 64.15 O ATOM 190 ND2 ASN A 14 35.557 1.704 14.203 1.00 65.03 N ATOM 0 H ASN A 14 34.736 -1.994 16.530 1.00 73.44 H new ATOM 0 HA ASN A 14 37.149 -1.477 14.931 1.00 24.25 H new ATOM 0 HB2 ASN A 14 35.496 0.237 16.830 1.00 32.51 H new ATOM 0 HB3 ASN A 14 36.962 0.785 16.043 1.00 32.51 H new ATOM 0 HD21 ASN A 14 35.047 2.024 13.380 1.00 65.03 H new ATOM 0 HD22 ASN A 14 36.260 2.306 14.633 1.00 65.03 H new ATOM 197 N SER A 15 38.701 -2.232 16.712 1.00 11.14 N ATOM 198 CA SER A 15 39.699 -2.556 17.725 1.00 61.13 C ATOM 199 C SER A 15 40.901 -3.256 17.098 1.00 71.40 C ATOM 200 O SER A 15 41.017 -3.342 15.875 1.00 42.01 O ATOM 201 CB SER A 15 39.086 -3.444 18.810 1.00 42.52 C ATOM 202 OG SER A 15 39.366 -2.935 20.103 1.00 71.13 O ATOM 0 H SER A 15 38.949 -2.524 15.767 1.00 11.14 H new ATOM 0 HA SER A 15 40.038 -1.624 18.177 1.00 61.13 H new ATOM 0 HB2 SER A 15 38.007 -3.507 18.666 1.00 42.52 H new ATOM 0 HB3 SER A 15 39.479 -4.457 18.721 1.00 42.52 H new ATOM 0 HG SER A 15 38.962 -3.519 20.779 1.00 71.13 H new ATOM 208 N THR A 16 41.795 -3.757 17.945 1.00 13.15 N ATOM 209 CA THR A 16 42.989 -4.449 17.477 1.00 53.23 C ATOM 210 C THR A 16 42.923 -5.938 17.798 1.00 41.54 C ATOM 211 O THR A 16 42.221 -6.354 18.719 1.00 1.12 O ATOM 212 CB THR A 16 44.264 -3.856 18.104 1.00 4.30 C ATOM 213 OG1 THR A 16 45.382 -4.711 17.842 1.00 24.10 O ATOM 214 CG2 THR A 16 44.097 -3.677 19.605 1.00 34.55 C ATOM 0 H THR A 16 41.714 -3.696 18.960 1.00 13.15 H new ATOM 0 HA THR A 16 43.029 -4.315 16.396 1.00 53.23 H new ATOM 0 HB THR A 16 44.442 -2.879 17.656 1.00 4.30 H new ATOM 0 HG1 THR A 16 45.604 -4.676 16.888 1.00 24.10 H new ATOM 0 HG21 THR A 16 45.011 -3.257 20.025 1.00 34.55 H new ATOM 0 HG22 THR A 16 43.264 -3.002 19.800 1.00 34.55 H new ATOM 0 HG23 THR A 16 43.897 -4.644 20.067 1.00 34.55 H new ATOM 222 N VAL A 17 43.660 -6.736 17.032 1.00 73.32 N ATOM 223 CA VAL A 17 43.686 -8.180 17.236 1.00 5.31 C ATOM 224 C VAL A 17 45.111 -8.718 17.171 1.00 44.44 C ATOM 225 O VAL A 17 45.983 -8.120 16.540 1.00 0.12 O ATOM 226 CB VAL A 17 42.825 -8.911 16.189 1.00 11.23 C ATOM 227 CG1 VAL A 17 41.349 -8.618 16.413 1.00 2.42 C ATOM 228 CG2 VAL A 17 43.248 -8.516 14.782 1.00 32.34 C ATOM 0 H VAL A 17 44.247 -6.408 16.265 1.00 73.32 H new ATOM 0 HA VAL A 17 43.274 -8.367 18.228 1.00 5.31 H new ATOM 0 HB VAL A 17 42.979 -9.984 16.302 1.00 11.23 H new ATOM 0 HG11 VAL A 17 40.756 -9.143 15.664 1.00 2.42 H new ATOM 0 HG12 VAL A 17 41.058 -8.955 17.408 1.00 2.42 H new ATOM 0 HG13 VAL A 17 41.174 -7.546 16.328 1.00 2.42 H new ATOM 0 HG21 VAL A 17 42.629 -9.042 14.055 1.00 32.34 H new ATOM 0 HG22 VAL A 17 43.125 -7.441 14.653 1.00 32.34 H new ATOM 0 HG23 VAL A 17 44.294 -8.782 14.628 1.00 32.34 H new ATOM 238 N ALA A 18 45.341 -9.851 17.826 1.00 10.31 N ATOM 239 CA ALA A 18 46.660 -10.471 17.840 1.00 32.25 C ATOM 240 C ALA A 18 47.010 -11.047 16.473 1.00 64.23 C ATOM 241 O ALA A 18 46.163 -11.120 15.582 1.00 3.22 O ATOM 242 CB ALA A 18 46.720 -11.558 18.904 1.00 4.40 C ATOM 0 H ALA A 18 44.631 -10.358 18.354 1.00 10.31 H new ATOM 0 HA ALA A 18 47.394 -9.702 18.080 1.00 32.25 H new ATOM 0 HB1 ALA A 18 47.710 -12.013 18.904 1.00 4.40 H new ATOM 0 HB2 ALA A 18 46.522 -11.121 19.883 1.00 4.40 H new ATOM 0 HB3 ALA A 18 45.971 -12.320 18.689 1.00 4.40 H new ATOM 248 N LYS A 19 48.265 -11.455 16.312 1.00 74.34 N ATOM 249 CA LYS A 19 48.728 -12.026 15.052 1.00 3.34 C ATOM 250 C LYS A 19 47.808 -13.153 14.594 1.00 4.22 C ATOM 251 O LYS A 19 47.548 -14.096 15.340 1.00 74.14 O ATOM 252 CB LYS A 19 50.159 -12.549 15.202 1.00 35.31 C ATOM 253 CG LYS A 19 51.115 -12.014 14.151 1.00 4.32 C ATOM 254 CD LYS A 19 50.875 -12.660 12.797 1.00 23.11 C ATOM 255 CE LYS A 19 51.889 -12.187 11.766 1.00 32.53 C ATOM 256 NZ LYS A 19 52.879 -13.249 11.434 1.00 34.41 N ATOM 0 H LYS A 19 48.979 -11.401 17.038 1.00 74.34 H new ATOM 0 HA LYS A 19 48.712 -11.240 14.297 1.00 3.34 H new ATOM 0 HB2 LYS A 19 50.533 -12.282 16.191 1.00 35.31 H new ATOM 0 HB3 LYS A 19 50.146 -13.638 15.149 1.00 35.31 H new ATOM 0 HG2 LYS A 19 50.996 -10.934 14.066 1.00 4.32 H new ATOM 0 HG3 LYS A 19 52.142 -12.198 14.466 1.00 4.32 H new ATOM 0 HD2 LYS A 19 50.932 -13.744 12.895 1.00 23.11 H new ATOM 0 HD3 LYS A 19 49.868 -12.424 12.453 1.00 23.11 H new ATOM 0 HE2 LYS A 19 51.368 -11.880 10.859 1.00 32.53 H new ATOM 0 HE3 LYS A 19 52.412 -11.309 12.147 1.00 32.53 H new ATOM 0 HZ1 LYS A 19 53.264 -13.079 10.483 1.00 34.41 H new ATOM 0 HZ2 LYS A 19 53.653 -13.232 12.129 1.00 34.41 H new ATOM 0 HZ3 LYS A 19 52.413 -14.178 11.458 1.00 34.41 H new ATOM 270 N GLY A 20 47.320 -13.049 13.362 1.00 45.43 N ATOM 271 CA GLY A 20 46.436 -14.067 12.825 1.00 2.43 C ATOM 272 C GLY A 20 45.139 -14.175 13.601 1.00 14.22 C ATOM 273 O GLY A 20 45.107 -14.734 14.698 1.00 1.13 O ATOM 0 H GLY A 20 47.521 -12.278 12.726 1.00 45.43 H new ATOM 0 HA2 GLY A 20 46.214 -13.838 11.783 1.00 2.43 H new ATOM 0 HA3 GLY A 20 46.946 -15.030 12.839 1.00 2.43 H new ATOM 277 N LEU A 21 44.065 -13.638 13.033 1.00 52.43 N ATOM 278 CA LEU A 21 42.758 -13.675 13.679 1.00 15.31 C ATOM 279 C LEU A 21 41.646 -13.377 12.678 1.00 62.15 C ATOM 280 O LEU A 21 41.822 -12.574 11.762 1.00 3.42 O ATOM 281 CB LEU A 21 42.707 -12.667 14.829 1.00 35.20 C ATOM 282 CG LEU A 21 42.203 -13.204 16.169 1.00 14.44 C ATOM 283 CD1 LEU A 21 43.220 -12.937 17.267 1.00 25.45 C ATOM 284 CD2 LEU A 21 40.860 -12.581 16.522 1.00 13.21 C ATOM 0 H LEU A 21 44.074 -13.172 12.126 1.00 52.43 H new ATOM 0 HA LEU A 21 42.605 -14.679 14.076 1.00 15.31 H new ATOM 0 HB2 LEU A 21 43.708 -12.262 14.976 1.00 35.20 H new ATOM 0 HB3 LEU A 21 42.068 -11.836 14.530 1.00 35.20 H new ATOM 0 HG LEU A 21 42.069 -14.282 16.079 1.00 14.44 H new ATOM 0 HD11 LEU A 21 42.844 -13.326 18.213 1.00 25.45 H new ATOM 0 HD12 LEU A 21 44.160 -13.430 17.020 1.00 25.45 H new ATOM 0 HD13 LEU A 21 43.386 -11.863 17.356 1.00 25.45 H new ATOM 0 HD21 LEU A 21 40.516 -12.975 17.479 1.00 13.21 H new ATOM 0 HD22 LEU A 21 40.968 -11.499 16.593 1.00 13.21 H new ATOM 0 HD23 LEU A 21 40.132 -12.823 15.748 1.00 13.21 H new ATOM 296 N GLN A 22 40.502 -14.029 12.860 1.00 43.22 N ATOM 297 CA GLN A 22 39.362 -13.832 11.973 1.00 60.25 C ATOM 298 C GLN A 22 38.126 -13.409 12.760 1.00 62.32 C ATOM 299 O GLN A 22 37.855 -13.938 13.837 1.00 10.24 O ATOM 300 CB GLN A 22 39.070 -15.115 11.192 1.00 54.44 C ATOM 301 CG GLN A 22 40.316 -15.789 10.641 1.00 53.03 C ATOM 302 CD GLN A 22 40.624 -17.102 11.334 1.00 53.52 C ATOM 303 OE1 GLN A 22 39.719 -17.866 11.670 1.00 22.43 O ATOM 304 NE2 GLN A 22 41.906 -17.370 11.551 1.00 11.12 N ATOM 0 H GLN A 22 40.340 -14.698 13.613 1.00 43.22 H new ATOM 0 HA GLN A 22 39.613 -13.036 11.271 1.00 60.25 H new ATOM 0 HB2 GLN A 22 38.546 -15.815 11.843 1.00 54.44 H new ATOM 0 HB3 GLN A 22 38.397 -14.883 10.366 1.00 54.44 H new ATOM 0 HG2 GLN A 22 40.186 -15.968 9.574 1.00 53.03 H new ATOM 0 HG3 GLN A 22 41.167 -15.116 10.750 1.00 53.03 H new ATOM 0 HE21 GLN A 22 42.623 -16.707 11.255 1.00 11.12 H new ATOM 0 HE22 GLN A 22 42.174 -18.239 12.013 1.00 11.12 H new ATOM 313 N GLU A 23 37.381 -12.453 12.214 1.00 63.01 N ATOM 314 CA GLU A 23 36.175 -11.959 12.867 1.00 12.01 C ATOM 315 C GLU A 23 34.987 -11.989 11.910 1.00 52.32 C ATOM 316 O GLU A 23 35.022 -11.381 10.841 1.00 44.11 O ATOM 317 CB GLU A 23 36.394 -10.535 13.382 1.00 54.32 C ATOM 318 CG GLU A 23 36.475 -10.440 14.896 1.00 35.52 C ATOM 319 CD GLU A 23 35.110 -10.316 15.547 1.00 45.24 C ATOM 320 OE1 GLU A 23 34.375 -11.325 15.580 1.00 25.02 O ATOM 321 OE2 GLU A 23 34.778 -9.210 16.022 1.00 52.04 O ATOM 0 H GLU A 23 37.591 -12.006 11.322 1.00 63.01 H new ATOM 0 HA GLU A 23 35.956 -12.613 13.711 1.00 12.01 H new ATOM 0 HB2 GLU A 23 37.314 -10.140 12.952 1.00 54.32 H new ATOM 0 HB3 GLU A 23 35.580 -9.901 13.030 1.00 54.32 H new ATOM 0 HG2 GLU A 23 36.980 -11.324 15.285 1.00 35.52 H new ATOM 0 HG3 GLU A 23 37.084 -9.578 15.170 1.00 35.52 H new ATOM 328 N ASN A 24 33.936 -12.701 12.302 1.00 32.25 N ATOM 329 CA ASN A 24 32.737 -12.812 11.479 1.00 12.25 C ATOM 330 C ASN A 24 31.794 -11.640 11.732 1.00 15.31 C ATOM 331 O ASN A 24 31.438 -11.350 12.875 1.00 43.33 O ATOM 332 CB ASN A 24 32.017 -14.131 11.765 1.00 32.23 C ATOM 333 CG ASN A 24 31.390 -14.161 13.146 1.00 41.41 C ATOM 334 OD1 ASN A 24 32.029 -14.556 14.121 1.00 12.45 O ATOM 335 ND2 ASN A 24 30.133 -13.742 13.234 1.00 41.51 N ATOM 0 H ASN A 24 33.890 -13.210 13.185 1.00 32.25 H new ATOM 0 HA ASN A 24 33.041 -12.792 10.433 1.00 12.25 H new ATOM 0 HB2 ASN A 24 31.243 -14.289 11.014 1.00 32.23 H new ATOM 0 HB3 ASN A 24 32.724 -14.955 11.672 1.00 32.23 H new ATOM 0 HD21 ASN A 24 29.658 -13.739 14.137 1.00 41.51 H new ATOM 0 HD22 ASN A 24 29.642 -13.423 12.399 1.00 41.51 H new ATOM 342 N PHE A 25 31.391 -10.969 10.658 1.00 73.33 N ATOM 343 CA PHE A 25 30.489 -9.828 10.762 1.00 33.22 C ATOM 344 C PHE A 25 30.116 -9.301 9.380 1.00 60.14 C ATOM 345 O PHE A 25 30.985 -9.015 8.556 1.00 25.11 O ATOM 346 CB PHE A 25 31.135 -8.714 11.588 1.00 62.10 C ATOM 347 CG PHE A 25 30.699 -8.703 13.025 1.00 14.31 C ATOM 348 CD1 PHE A 25 29.354 -8.767 13.355 1.00 24.21 C ATOM 349 CD2 PHE A 25 31.632 -8.628 14.046 1.00 23.20 C ATOM 350 CE1 PHE A 25 28.950 -8.756 14.677 1.00 61.14 C ATOM 351 CE2 PHE A 25 31.234 -8.617 15.370 1.00 60.14 C ATOM 352 CZ PHE A 25 29.891 -8.682 15.685 1.00 21.21 C ATOM 0 H PHE A 25 31.675 -11.196 9.705 1.00 73.33 H new ATOM 0 HA PHE A 25 29.579 -10.161 11.262 1.00 33.22 H new ATOM 0 HB2 PHE A 25 32.219 -8.824 11.546 1.00 62.10 H new ATOM 0 HB3 PHE A 25 30.894 -7.752 11.136 1.00 62.10 H new ATOM 0 HD1 PHE A 25 28.614 -8.826 12.571 1.00 24.21 H new ATOM 0 HD2 PHE A 25 32.684 -8.577 13.805 1.00 23.20 H new ATOM 0 HE1 PHE A 25 27.899 -8.805 14.921 1.00 61.14 H new ATOM 0 HE2 PHE A 25 31.972 -8.558 16.156 1.00 60.14 H new ATOM 0 HZ PHE A 25 29.577 -8.675 16.718 1.00 21.21 H new ATOM 362 N LYS A 26 28.817 -9.176 9.131 1.00 12.44 N ATOM 363 CA LYS A 26 28.326 -8.683 7.850 1.00 43.32 C ATOM 364 C LYS A 26 27.016 -7.922 8.025 1.00 74.31 C ATOM 365 O LYS A 26 26.316 -8.094 9.023 1.00 61.13 O ATOM 366 CB LYS A 26 28.127 -9.846 6.875 1.00 2.41 C ATOM 367 CG LYS A 26 28.651 -9.564 5.477 1.00 22.25 C ATOM 368 CD LYS A 26 27.893 -10.359 4.427 1.00 2.14 C ATOM 369 CE LYS A 26 26.462 -9.866 4.281 1.00 34.34 C ATOM 370 NZ LYS A 26 25.496 -10.750 4.991 1.00 72.31 N ATOM 0 H LYS A 26 28.084 -9.410 9.801 1.00 12.44 H new ATOM 0 HA LYS A 26 29.071 -7.999 7.443 1.00 43.32 H new ATOM 0 HB2 LYS A 26 28.627 -10.730 7.270 1.00 2.41 H new ATOM 0 HB3 LYS A 26 27.064 -10.081 6.815 1.00 2.41 H new ATOM 0 HG2 LYS A 26 28.563 -8.499 5.262 1.00 22.25 H new ATOM 0 HG3 LYS A 26 29.711 -9.812 5.428 1.00 22.25 H new ATOM 0 HD2 LYS A 26 28.406 -10.280 3.468 1.00 2.14 H new ATOM 0 HD3 LYS A 26 27.889 -11.414 4.700 1.00 2.14 H new ATOM 0 HE2 LYS A 26 26.385 -8.853 4.675 1.00 34.34 H new ATOM 0 HE3 LYS A 26 26.201 -9.817 3.224 1.00 34.34 H new ATOM 0 HZ1 LYS A 26 24.842 -10.169 5.553 1.00 72.31 H new ATOM 0 HZ2 LYS A 26 24.956 -11.304 4.296 1.00 72.31 H new ATOM 0 HZ3 LYS A 26 26.014 -11.396 5.621 1.00 72.31 H new ATOM 384 N ALA A 27 26.689 -7.083 7.048 1.00 52.30 N ATOM 385 CA ALA A 27 25.461 -6.299 7.093 1.00 35.20 C ATOM 386 C ALA A 27 24.361 -6.954 6.264 1.00 41.35 C ATOM 387 O ALA A 27 24.552 -7.251 5.084 1.00 70.22 O ATOM 388 CB ALA A 27 25.720 -4.882 6.604 1.00 3.12 C ATOM 0 H ALA A 27 27.258 -6.929 6.215 1.00 52.30 H new ATOM 0 HA ALA A 27 25.124 -6.258 8.129 1.00 35.20 H new ATOM 0 HB1 ALA A 27 24.794 -4.309 6.643 1.00 3.12 H new ATOM 0 HB2 ALA A 27 26.467 -4.408 7.241 1.00 3.12 H new ATOM 0 HB3 ALA A 27 26.085 -4.912 5.577 1.00 3.12 H new ATOM 394 N THR A 28 23.208 -7.177 6.888 1.00 45.15 N ATOM 395 CA THR A 28 22.079 -7.798 6.208 1.00 60.14 C ATOM 396 C THR A 28 21.077 -6.750 5.736 1.00 30.44 C ATOM 397 O THR A 28 20.414 -6.103 6.546 1.00 42.03 O ATOM 398 CB THR A 28 21.358 -8.807 7.122 1.00 3.51 C ATOM 399 OG1 THR A 28 20.161 -9.272 6.490 1.00 71.41 O ATOM 400 CG2 THR A 28 21.017 -8.174 8.463 1.00 52.55 C ATOM 0 H THR A 28 23.032 -6.936 7.864 1.00 45.15 H new ATOM 0 HA THR A 28 22.482 -8.326 5.344 1.00 60.14 H new ATOM 0 HB THR A 28 22.027 -9.650 7.295 1.00 3.51 H new ATOM 0 HG1 THR A 28 19.709 -9.914 7.077 1.00 71.41 H new ATOM 0 HG21 THR A 28 20.509 -8.905 9.092 1.00 52.55 H new ATOM 0 HG22 THR A 28 21.933 -7.847 8.955 1.00 52.55 H new ATOM 0 HG23 THR A 28 20.364 -7.315 8.305 1.00 52.55 H new ATOM 408 N GLY A 29 20.971 -6.589 4.421 1.00 51.12 N ATOM 409 CA GLY A 29 20.046 -5.618 3.865 1.00 64.33 C ATOM 410 C GLY A 29 18.648 -6.179 3.698 1.00 40.11 C ATOM 411 O GLY A 29 18.453 -7.183 3.013 1.00 74.23 O ATOM 0 H GLY A 29 21.509 -7.113 3.731 1.00 51.12 H new ATOM 0 HA2 GLY A 29 20.008 -4.744 4.515 1.00 64.33 H new ATOM 0 HA3 GLY A 29 20.417 -5.280 2.897 1.00 64.33 H new ATOM 415 N ILE A 30 17.673 -5.530 4.327 1.00 65.54 N ATOM 416 CA ILE A 30 16.286 -5.971 4.245 1.00 65.24 C ATOM 417 C ILE A 30 15.372 -4.831 3.811 1.00 10.51 C ATOM 418 O ILE A 30 15.504 -3.701 4.283 1.00 44.15 O ATOM 419 CB ILE A 30 15.792 -6.527 5.593 1.00 13.21 C ATOM 420 CG1 ILE A 30 16.731 -7.627 6.091 1.00 34.25 C ATOM 421 CG2 ILE A 30 14.371 -7.055 5.459 1.00 24.30 C ATOM 422 CD1 ILE A 30 17.449 -7.273 7.375 1.00 61.14 C ATOM 0 H ILE A 30 17.818 -4.698 4.898 1.00 65.54 H new ATOM 0 HA ILE A 30 16.250 -6.765 3.499 1.00 65.24 H new ATOM 0 HB ILE A 30 15.791 -5.719 6.324 1.00 13.21 H new ATOM 0 HG12 ILE A 30 16.157 -8.541 6.245 1.00 34.25 H new ATOM 0 HG13 ILE A 30 17.469 -7.841 5.318 1.00 34.25 H new ATOM 0 HG21 ILE A 30 14.036 -7.445 6.420 1.00 24.30 H new ATOM 0 HG22 ILE A 30 13.711 -6.247 5.145 1.00 24.30 H new ATOM 0 HG23 ILE A 30 14.348 -7.852 4.716 1.00 24.30 H new ATOM 0 HD11 ILE A 30 18.097 -8.099 7.669 1.00 61.14 H new ATOM 0 HD12 ILE A 30 18.050 -6.377 7.221 1.00 61.14 H new ATOM 0 HD13 ILE A 30 16.718 -7.088 8.162 1.00 61.14 H new ATOM 434 N PHE A 31 14.442 -5.134 2.911 1.00 24.12 N ATOM 435 CA PHE A 31 13.504 -4.135 2.414 1.00 2.52 C ATOM 436 C PHE A 31 12.169 -4.230 3.147 1.00 41.02 C ATOM 437 O PHE A 31 11.633 -5.321 3.347 1.00 42.35 O ATOM 438 CB PHE A 31 13.287 -4.311 0.910 1.00 62.31 C ATOM 439 CG PHE A 31 14.564 -4.462 0.134 1.00 61.43 C ATOM 440 CD1 PHE A 31 15.174 -5.700 0.012 1.00 21.51 C ATOM 441 CD2 PHE A 31 15.155 -3.366 -0.474 1.00 32.11 C ATOM 442 CE1 PHE A 31 16.349 -5.843 -0.702 1.00 21.12 C ATOM 443 CE2 PHE A 31 16.329 -3.503 -1.189 1.00 44.33 C ATOM 444 CZ PHE A 31 16.928 -4.742 -1.302 1.00 71.44 C ATOM 0 H PHE A 31 14.318 -6.064 2.511 1.00 24.12 H new ATOM 0 HA PHE A 31 13.931 -3.149 2.599 1.00 2.52 H new ATOM 0 HB2 PHE A 31 12.663 -5.188 0.741 1.00 62.31 H new ATOM 0 HB3 PHE A 31 12.738 -3.451 0.527 1.00 62.31 H new ATOM 0 HD1 PHE A 31 14.726 -6.564 0.480 1.00 21.51 H new ATOM 0 HD2 PHE A 31 14.693 -2.394 -0.388 1.00 32.11 H new ATOM 0 HE1 PHE A 31 16.813 -6.814 -0.790 1.00 21.12 H new ATOM 0 HE2 PHE A 31 16.778 -2.641 -1.660 1.00 44.33 H new ATOM 0 HZ PHE A 31 17.847 -4.850 -1.858 1.00 71.44 H new ATOM 454 N THR A 32 11.636 -3.079 3.546 1.00 24.33 N ATOM 455 CA THR A 32 10.366 -3.032 4.258 1.00 15.31 C ATOM 456 C THR A 32 9.225 -3.535 3.381 1.00 31.52 C ATOM 457 O THR A 32 8.192 -3.978 3.884 1.00 53.13 O ATOM 458 CB THR A 32 10.041 -1.603 4.733 1.00 54.34 C ATOM 459 OG1 THR A 32 11.158 -0.741 4.492 1.00 42.51 O ATOM 460 CG2 THR A 32 9.694 -1.590 6.214 1.00 74.13 C ATOM 0 H THR A 32 12.065 -2.167 3.388 1.00 24.33 H new ATOM 0 HA THR A 32 10.467 -3.682 5.127 1.00 15.31 H new ATOM 0 HB THR A 32 9.178 -1.245 4.171 1.00 54.34 H new ATOM 0 HG1 THR A 32 10.943 0.166 4.795 1.00 42.51 H new ATOM 0 HG21 THR A 32 9.468 -0.570 6.526 1.00 74.13 H new ATOM 0 HG22 THR A 32 8.825 -2.224 6.390 1.00 74.13 H new ATOM 0 HG23 THR A 32 10.540 -1.967 6.789 1.00 74.13 H new ATOM 468 N ASP A 33 9.419 -3.466 2.069 1.00 70.21 N ATOM 469 CA ASP A 33 8.406 -3.917 1.121 1.00 24.44 C ATOM 470 C ASP A 33 8.835 -5.216 0.445 1.00 0.03 C ATOM 471 O ASP A 33 8.262 -5.619 -0.566 1.00 33.34 O ATOM 472 CB ASP A 33 8.148 -2.840 0.067 1.00 71.10 C ATOM 473 CG ASP A 33 6.675 -2.691 -0.260 1.00 31.33 C ATOM 474 OD1 ASP A 33 5.914 -3.651 -0.016 1.00 12.40 O ATOM 475 OD2 ASP A 33 6.283 -1.616 -0.760 1.00 4.21 O ATOM 0 H ASP A 33 10.268 -3.102 1.637 1.00 70.21 H new ATOM 0 HA ASP A 33 7.484 -4.102 1.672 1.00 24.44 H new ATOM 0 HB2 ASP A 33 8.536 -1.886 0.424 1.00 71.10 H new ATOM 0 HB3 ASP A 33 8.696 -3.087 -0.842 1.00 71.10 H new ATOM 480 N ASN A 34 9.848 -5.865 1.011 1.00 73.25 N ATOM 481 CA ASN A 34 10.355 -7.118 0.461 1.00 14.52 C ATOM 482 C ASN A 34 11.503 -7.657 1.308 1.00 64.34 C ATOM 483 O ASN A 34 12.674 -7.475 0.973 1.00 72.14 O ATOM 484 CB ASN A 34 10.821 -6.914 -0.982 1.00 2.13 C ATOM 485 CG ASN A 34 9.823 -7.444 -1.992 1.00 73.25 C ATOM 486 OD1 ASN A 34 9.354 -6.710 -2.863 1.00 22.13 O ATOM 487 ND2 ASN A 34 9.492 -8.726 -1.881 1.00 43.52 N ATOM 0 H ASN A 34 10.333 -5.545 1.849 1.00 73.25 H new ATOM 0 HA ASN A 34 9.545 -7.847 0.473 1.00 14.52 H new ATOM 0 HB2 ASN A 34 10.985 -5.851 -1.161 1.00 2.13 H new ATOM 0 HB3 ASN A 34 11.779 -7.413 -1.126 1.00 2.13 H new ATOM 0 HD21 ASN A 34 8.825 -9.139 -2.533 1.00 43.52 H new ATOM 0 HD22 ASN A 34 9.905 -9.297 -1.144 1.00 43.52 H new ATOM 494 N SER A 35 11.160 -8.323 2.406 1.00 43.12 N ATOM 495 CA SER A 35 12.162 -8.887 3.302 1.00 5.14 C ATOM 496 C SER A 35 13.167 -9.736 2.529 1.00 1.40 C ATOM 497 O SER A 35 12.831 -10.802 2.017 1.00 75.23 O ATOM 498 CB SER A 35 11.490 -9.733 4.386 1.00 42.54 C ATOM 499 OG SER A 35 10.672 -8.933 5.222 1.00 25.15 O ATOM 0 H SER A 35 10.196 -8.485 2.696 1.00 43.12 H new ATOM 0 HA SER A 35 12.696 -8.062 3.774 1.00 5.14 H new ATOM 0 HB2 SER A 35 10.887 -10.514 3.921 1.00 42.54 H new ATOM 0 HB3 SER A 35 12.251 -10.232 4.986 1.00 42.54 H new ATOM 0 HG SER A 35 10.252 -9.497 5.905 1.00 25.15 H new ATOM 505 N ASN A 36 14.403 -9.253 2.449 1.00 12.25 N ATOM 506 CA ASN A 36 15.458 -9.966 1.738 1.00 13.03 C ATOM 507 C ASN A 36 16.758 -9.952 2.537 1.00 53.32 C ATOM 508 O ASN A 36 16.899 -9.198 3.499 1.00 13.44 O ATOM 509 CB ASN A 36 15.685 -9.341 0.361 1.00 44.34 C ATOM 510 CG ASN A 36 15.882 -10.384 -0.722 1.00 44.13 C ATOM 511 OD1 ASN A 36 15.217 -11.420 -0.730 1.00 51.44 O ATOM 512 ND2 ASN A 36 16.801 -10.114 -1.643 1.00 75.41 N ATOM 0 H ASN A 36 14.698 -8.371 2.868 1.00 12.25 H new ATOM 0 HA ASN A 36 15.142 -11.001 1.612 1.00 13.03 H new ATOM 0 HB2 ASN A 36 14.832 -8.712 0.105 1.00 44.34 H new ATOM 0 HB3 ASN A 36 16.560 -8.692 0.400 1.00 44.34 H new ATOM 0 HD21 ASN A 36 16.979 -10.778 -2.396 1.00 75.41 H new ATOM 0 HD22 ASN A 36 17.329 -9.242 -1.597 1.00 75.41 H new ATOM 519 N SER A 37 17.705 -10.790 2.130 1.00 61.35 N ATOM 520 CA SER A 37 18.993 -10.877 2.808 1.00 12.24 C ATOM 521 C SER A 37 20.116 -10.369 1.909 1.00 21.53 C ATOM 522 O SER A 37 19.941 -10.226 0.699 1.00 14.43 O ATOM 523 CB SER A 37 19.275 -12.320 3.231 1.00 74.03 C ATOM 524 OG SER A 37 19.235 -13.194 2.116 1.00 32.54 O ATOM 0 H SER A 37 17.605 -11.419 1.333 1.00 61.35 H new ATOM 0 HA SER A 37 18.951 -10.248 3.697 1.00 12.24 H new ATOM 0 HB2 SER A 37 20.253 -12.378 3.708 1.00 74.03 H new ATOM 0 HB3 SER A 37 18.540 -12.636 3.971 1.00 74.03 H new ATOM 0 HG SER A 37 19.570 -14.076 2.380 1.00 32.54 H new ATOM 530 N ASP A 38 21.270 -10.100 2.510 1.00 31.10 N ATOM 531 CA ASP A 38 22.424 -9.610 1.765 1.00 54.40 C ATOM 532 C ASP A 38 23.044 -10.724 0.928 1.00 53.01 C ATOM 533 O ASP A 38 23.726 -11.603 1.455 1.00 2.01 O ATOM 534 CB ASP A 38 23.468 -9.032 2.722 1.00 73.31 C ATOM 535 CG ASP A 38 24.556 -8.265 1.997 1.00 22.40 C ATOM 536 OD1 ASP A 38 25.324 -8.897 1.242 1.00 72.25 O ATOM 537 OD2 ASP A 38 24.641 -7.034 2.186 1.00 41.32 O ATOM 0 H ASP A 38 21.431 -10.213 3.511 1.00 31.10 H new ATOM 0 HA ASP A 38 22.083 -8.822 1.093 1.00 54.40 H new ATOM 0 HB2 ASP A 38 22.976 -8.371 3.436 1.00 73.31 H new ATOM 0 HB3 ASP A 38 23.919 -9.842 3.295 1.00 73.31 H new ATOM 542 N ILE A 39 22.801 -10.681 -0.378 1.00 32.43 N ATOM 543 CA ILE A 39 23.335 -11.687 -1.287 1.00 25.41 C ATOM 544 C ILE A 39 22.922 -11.403 -2.727 1.00 14.43 C ATOM 545 O ILE A 39 23.721 -11.540 -3.653 1.00 50.25 O ATOM 546 CB ILE A 39 22.866 -13.102 -0.900 1.00 30.30 C ATOM 547 CG1 ILE A 39 23.350 -14.124 -1.931 1.00 54.44 C ATOM 548 CG2 ILE A 39 21.350 -13.142 -0.777 1.00 61.34 C ATOM 549 CD1 ILE A 39 24.852 -14.139 -2.108 1.00 31.32 C ATOM 0 H ILE A 39 22.238 -9.960 -0.830 1.00 32.43 H new ATOM 0 HA ILE A 39 24.421 -11.638 -1.207 1.00 25.41 H new ATOM 0 HB ILE A 39 23.297 -13.359 0.068 1.00 30.30 H new ATOM 0 HG12 ILE A 39 23.018 -15.117 -1.629 1.00 54.44 H new ATOM 0 HG13 ILE A 39 22.881 -13.909 -2.891 1.00 54.44 H new ATOM 0 HG21 ILE A 39 21.034 -14.148 -0.503 1.00 61.34 H new ATOM 0 HG22 ILE A 39 21.029 -12.439 -0.009 1.00 61.34 H new ATOM 0 HG23 ILE A 39 20.900 -12.867 -1.731 1.00 61.34 H new ATOM 0 HD11 ILE A 39 25.123 -14.887 -2.853 1.00 31.32 H new ATOM 0 HD12 ILE A 39 25.189 -13.157 -2.440 1.00 31.32 H new ATOM 0 HD13 ILE A 39 25.328 -14.384 -1.158 1.00 31.32 H new ATOM 561 N THR A 40 21.667 -11.003 -2.908 1.00 74.11 N ATOM 562 CA THR A 40 21.146 -10.698 -4.235 1.00 11.24 C ATOM 563 C THR A 40 21.838 -9.477 -4.829 1.00 41.24 C ATOM 564 O THR A 40 22.202 -9.469 -6.005 1.00 64.43 O ATOM 565 CB THR A 40 19.627 -10.445 -4.197 1.00 72.33 C ATOM 566 OG1 THR A 40 19.016 -11.276 -3.204 1.00 22.50 O ATOM 567 CG2 THR A 40 18.999 -10.723 -5.555 1.00 34.45 C ATOM 0 H THR A 40 20.993 -10.883 -2.152 1.00 74.11 H new ATOM 0 HA THR A 40 21.347 -11.567 -4.861 1.00 11.24 H new ATOM 0 HB THR A 40 19.461 -9.398 -3.945 1.00 72.33 H new ATOM 0 HG1 THR A 40 18.248 -11.742 -3.595 1.00 22.50 H new ATOM 0 HG21 THR A 40 17.926 -10.538 -5.504 1.00 34.45 H new ATOM 0 HG22 THR A 40 19.445 -10.068 -6.303 1.00 34.45 H new ATOM 0 HG23 THR A 40 19.175 -11.763 -5.831 1.00 34.45 H new ATOM 575 N ASP A 41 22.017 -8.447 -4.010 1.00 41.41 N ATOM 576 CA ASP A 41 22.668 -7.220 -4.455 1.00 50.23 C ATOM 577 C ASP A 41 24.186 -7.370 -4.430 1.00 52.01 C ATOM 578 O ASP A 41 24.906 -6.591 -5.054 1.00 31.01 O ATOM 579 CB ASP A 41 22.245 -6.044 -3.574 1.00 14.23 C ATOM 580 CG ASP A 41 20.802 -5.639 -3.803 1.00 11.52 C ATOM 581 OD1 ASP A 41 20.450 -5.326 -4.960 1.00 14.55 O ATOM 582 OD2 ASP A 41 20.025 -5.635 -2.825 1.00 73.15 O ATOM 0 H ASP A 41 21.721 -8.437 -3.034 1.00 41.41 H new ATOM 0 HA ASP A 41 22.357 -7.025 -5.481 1.00 50.23 H new ATOM 0 HB2 ASP A 41 22.383 -6.311 -2.526 1.00 14.23 H new ATOM 0 HB3 ASP A 41 22.895 -5.192 -3.774 1.00 14.23 H new ATOM 587 N GLN A 42 24.664 -8.375 -3.704 1.00 71.51 N ATOM 588 CA GLN A 42 26.096 -8.626 -3.597 1.00 4.24 C ATOM 589 C GLN A 42 26.822 -7.405 -3.041 1.00 42.24 C ATOM 590 O GLN A 42 27.167 -6.485 -3.783 1.00 4.53 O ATOM 591 CB GLN A 42 26.674 -9.000 -4.963 1.00 1.13 C ATOM 592 CG GLN A 42 26.791 -10.499 -5.184 1.00 31.30 C ATOM 593 CD GLN A 42 26.237 -10.936 -6.526 1.00 31.12 C ATOM 594 OE1 GLN A 42 26.308 -10.199 -7.509 1.00 51.15 O ATOM 595 NE2 GLN A 42 25.681 -12.141 -6.573 1.00 53.01 N ATOM 0 H GLN A 42 24.081 -9.029 -3.181 1.00 71.51 H new ATOM 0 HA GLN A 42 26.243 -9.458 -2.909 1.00 4.24 H new ATOM 0 HB2 GLN A 42 26.044 -8.574 -5.744 1.00 1.13 H new ATOM 0 HB3 GLN A 42 27.660 -8.548 -5.067 1.00 1.13 H new ATOM 0 HG2 GLN A 42 27.839 -10.792 -5.115 1.00 31.30 H new ATOM 0 HG3 GLN A 42 26.261 -11.022 -4.388 1.00 31.30 H new ATOM 0 HE21 GLN A 42 25.644 -12.719 -5.733 1.00 53.01 H new ATOM 0 HE22 GLN A 42 25.291 -12.489 -7.449 1.00 53.01 H new ATOM 604 N VAL A 43 27.051 -7.403 -1.732 1.00 13.11 N ATOM 605 CA VAL A 43 27.736 -6.295 -1.077 1.00 62.30 C ATOM 606 C VAL A 43 29.203 -6.235 -1.490 1.00 75.21 C ATOM 607 O VAL A 43 29.836 -7.265 -1.725 1.00 41.34 O ATOM 608 CB VAL A 43 27.651 -6.410 0.457 1.00 74.25 C ATOM 609 CG1 VAL A 43 28.279 -7.712 0.931 1.00 51.24 C ATOM 610 CG2 VAL A 43 28.319 -5.214 1.118 1.00 34.21 C ATOM 0 H VAL A 43 26.772 -8.157 -1.104 1.00 13.11 H new ATOM 0 HA VAL A 43 27.234 -5.381 -1.394 1.00 62.30 H new ATOM 0 HB VAL A 43 26.600 -6.416 0.746 1.00 74.25 H new ATOM 0 HG11 VAL A 43 28.210 -7.775 2.017 1.00 51.24 H new ATOM 0 HG12 VAL A 43 27.751 -8.554 0.484 1.00 51.24 H new ATOM 0 HG13 VAL A 43 29.327 -7.740 0.632 1.00 51.24 H new ATOM 0 HG21 VAL A 43 28.250 -5.311 2.201 1.00 34.21 H new ATOM 0 HG22 VAL A 43 29.368 -5.174 0.823 1.00 34.21 H new ATOM 0 HG23 VAL A 43 27.819 -4.298 0.803 1.00 34.21 H new ATOM 620 N THR A 44 29.738 -5.021 -1.576 1.00 62.54 N ATOM 621 CA THR A 44 31.130 -4.826 -1.962 1.00 1.03 C ATOM 622 C THR A 44 32.047 -4.858 -0.745 1.00 22.04 C ATOM 623 O THR A 44 32.001 -3.966 0.103 1.00 74.41 O ATOM 624 CB THR A 44 31.326 -3.490 -2.703 1.00 15.34 C ATOM 625 OG1 THR A 44 30.084 -3.059 -3.272 1.00 63.33 O ATOM 626 CG2 THR A 44 32.372 -3.626 -3.798 1.00 71.53 C ATOM 0 H THR A 44 29.229 -4.159 -1.384 1.00 62.54 H new ATOM 0 HA THR A 44 31.390 -5.646 -2.632 1.00 1.03 H new ATOM 0 HB THR A 44 31.672 -2.748 -1.983 1.00 15.34 H new ATOM 0 HG1 THR A 44 30.216 -2.208 -3.740 1.00 63.33 H new ATOM 0 HG21 THR A 44 32.493 -2.670 -4.307 1.00 71.53 H new ATOM 0 HG22 THR A 44 33.323 -3.925 -3.358 1.00 71.53 H new ATOM 0 HG23 THR A 44 32.051 -4.381 -4.516 1.00 71.53 H new ATOM 634 N TRP A 45 32.880 -5.889 -0.665 1.00 21.34 N ATOM 635 CA TRP A 45 33.809 -6.036 0.450 1.00 23.30 C ATOM 636 C TRP A 45 35.249 -5.839 -0.012 1.00 31.41 C ATOM 637 O TRP A 45 35.606 -6.203 -1.133 1.00 2.15 O ATOM 638 CB TRP A 45 33.651 -7.415 1.094 1.00 4.31 C ATOM 639 CG TRP A 45 33.890 -8.547 0.141 1.00 10.50 C ATOM 640 CD1 TRP A 45 35.099 -9.037 -0.262 1.00 70.15 C ATOM 641 CD2 TRP A 45 32.894 -9.327 -0.529 1.00 22.00 C ATOM 642 NE1 TRP A 45 34.915 -10.076 -1.143 1.00 54.30 N ATOM 643 CE2 TRP A 45 33.571 -10.274 -1.322 1.00 42.14 C ATOM 644 CE3 TRP A 45 31.497 -9.320 -0.534 1.00 52.24 C ATOM 645 CZ2 TRP A 45 32.897 -11.201 -2.112 1.00 72.22 C ATOM 646 CZ3 TRP A 45 30.829 -10.241 -1.319 1.00 50.41 C ATOM 647 CH2 TRP A 45 31.529 -11.171 -2.099 1.00 32.35 C ATOM 0 H TRP A 45 32.931 -6.635 -1.358 1.00 21.34 H new ATOM 0 HA TRP A 45 33.576 -5.269 1.189 1.00 23.30 H new ATOM 0 HB2 TRP A 45 34.346 -7.500 1.929 1.00 4.31 H new ATOM 0 HB3 TRP A 45 32.646 -7.503 1.506 1.00 4.31 H new ATOM 0 HD1 TRP A 45 36.059 -8.663 0.063 1.00 70.15 H new ATOM 0 HE1 TRP A 45 35.658 -10.612 -1.591 1.00 54.30 H new ATOM 0 HE3 TRP A 45 30.949 -8.608 0.065 1.00 52.24 H new ATOM 0 HZ2 TRP A 45 33.435 -11.919 -2.714 1.00 72.22 H new ATOM 0 HZ3 TRP A 45 29.749 -10.244 -1.331 1.00 50.41 H new ATOM 0 HH2 TRP A 45 30.978 -11.878 -2.702 1.00 32.35 H new ATOM 658 N ASP A 46 36.071 -5.262 0.858 1.00 71.53 N ATOM 659 CA ASP A 46 37.473 -5.019 0.539 1.00 51.43 C ATOM 660 C ASP A 46 38.327 -5.025 1.803 1.00 71.12 C ATOM 661 O ASP A 46 37.888 -4.578 2.863 1.00 61.54 O ATOM 662 CB ASP A 46 37.627 -3.682 -0.189 1.00 64.42 C ATOM 663 CG ASP A 46 37.823 -3.856 -1.683 1.00 11.24 C ATOM 664 OD1 ASP A 46 38.864 -4.417 -2.083 1.00 2.40 O ATOM 665 OD2 ASP A 46 36.935 -3.430 -2.451 1.00 61.00 O ATOM 0 H ASP A 46 35.791 -4.954 1.789 1.00 71.53 H new ATOM 0 HA ASP A 46 37.817 -5.822 -0.113 1.00 51.43 H new ATOM 0 HB2 ASP A 46 36.743 -3.070 -0.010 1.00 64.42 H new ATOM 0 HB3 ASP A 46 38.478 -3.142 0.226 1.00 64.42 H new ATOM 670 N SER A 47 39.548 -5.536 1.683 1.00 3.40 N ATOM 671 CA SER A 47 40.462 -5.605 2.817 1.00 4.11 C ATOM 672 C SER A 47 41.815 -4.995 2.463 1.00 61.04 C ATOM 673 O SER A 47 42.244 -5.036 1.310 1.00 61.35 O ATOM 674 CB SER A 47 40.646 -7.057 3.263 1.00 11.22 C ATOM 675 OG SER A 47 41.746 -7.183 4.148 1.00 73.32 O ATOM 0 H SER A 47 39.927 -5.908 0.812 1.00 3.40 H new ATOM 0 HA SER A 47 40.028 -5.032 3.637 1.00 4.11 H new ATOM 0 HB2 SER A 47 39.738 -7.408 3.754 1.00 11.22 H new ATOM 0 HB3 SER A 47 40.802 -7.692 2.391 1.00 11.22 H new ATOM 0 HG SER A 47 41.659 -8.013 4.661 1.00 73.32 H new ATOM 681 N SER A 48 42.482 -4.429 3.463 1.00 25.01 N ATOM 682 CA SER A 48 43.785 -3.807 3.258 1.00 41.43 C ATOM 683 C SER A 48 44.744 -4.770 2.566 1.00 64.04 C ATOM 684 O SER A 48 44.535 -5.982 2.571 1.00 22.21 O ATOM 685 CB SER A 48 44.375 -3.355 4.595 1.00 14.22 C ATOM 686 OG SER A 48 45.768 -3.605 4.649 1.00 45.34 O ATOM 0 H SER A 48 42.142 -4.388 4.424 1.00 25.01 H new ATOM 0 HA SER A 48 43.647 -2.936 2.617 1.00 41.43 H new ATOM 0 HB2 SER A 48 44.188 -2.291 4.737 1.00 14.22 H new ATOM 0 HB3 SER A 48 43.877 -3.878 5.411 1.00 14.22 H new ATOM 0 HG SER A 48 46.121 -3.306 5.513 1.00 45.34 H new ATOM 692 N ASN A 49 45.798 -4.220 1.970 1.00 32.31 N ATOM 693 CA ASN A 49 46.790 -5.030 1.272 1.00 3.15 C ATOM 694 C ASN A 49 48.188 -4.778 1.831 1.00 35.42 C ATOM 695 O ASN A 49 48.578 -3.634 2.066 1.00 23.43 O ATOM 696 CB ASN A 49 46.766 -4.724 -0.227 1.00 33.54 C ATOM 697 CG ASN A 49 46.184 -5.865 -1.040 1.00 23.15 C ATOM 698 OD1 ASN A 49 46.686 -6.989 -1.000 1.00 53.20 O ATOM 699 ND2 ASN A 49 45.121 -5.580 -1.782 1.00 61.14 N ATOM 0 H ASN A 49 45.987 -3.218 1.957 1.00 32.31 H new ATOM 0 HA ASN A 49 46.539 -6.080 1.426 1.00 3.15 H new ATOM 0 HB2 ASN A 49 46.181 -3.821 -0.402 1.00 33.54 H new ATOM 0 HB3 ASN A 49 47.780 -4.518 -0.569 1.00 33.54 H new ATOM 0 HD21 ASN A 49 44.686 -6.307 -2.350 1.00 61.14 H new ATOM 0 HD22 ASN A 49 44.739 -4.634 -1.784 1.00 61.14 H new ATOM 706 N THR A 50 48.938 -5.856 2.041 1.00 13.35 N ATOM 707 CA THR A 50 50.291 -5.753 2.573 1.00 51.02 C ATOM 708 C THR A 50 51.012 -7.094 2.504 1.00 71.31 C ATOM 709 O THR A 50 51.942 -7.270 1.717 1.00 61.02 O ATOM 710 CB THR A 50 50.286 -5.260 4.032 1.00 35.22 C ATOM 711 OG1 THR A 50 48.939 -5.150 4.507 1.00 21.22 O ATOM 712 CG2 THR A 50 50.982 -3.913 4.151 1.00 22.21 C ATOM 0 H THR A 50 48.631 -6.810 1.851 1.00 13.35 H new ATOM 0 HA THR A 50 50.819 -5.027 1.955 1.00 51.02 H new ATOM 0 HB THR A 50 50.827 -5.985 4.639 1.00 35.22 H new ATOM 0 HG1 THR A 50 48.944 -4.837 5.436 1.00 21.22 H new ATOM 0 HG21 THR A 50 50.966 -3.586 5.191 1.00 22.21 H new ATOM 0 HG22 THR A 50 52.015 -4.006 3.816 1.00 22.21 H new ATOM 0 HG23 THR A 50 50.465 -3.180 3.532 1.00 22.21 H new ATOM 720 N ASP A 51 50.577 -8.038 3.332 1.00 52.33 N ATOM 721 CA ASP A 51 51.180 -9.365 3.363 1.00 1.13 C ATOM 722 C ASP A 51 50.151 -10.438 3.022 1.00 40.13 C ATOM 723 O ASP A 51 50.158 -10.990 1.921 1.00 20.32 O ATOM 724 CB ASP A 51 51.785 -9.641 4.741 1.00 50.13 C ATOM 725 CG ASP A 51 52.904 -8.678 5.085 1.00 23.00 C ATOM 726 OD1 ASP A 51 53.307 -7.896 4.199 1.00 40.00 O ATOM 727 OD2 ASP A 51 53.378 -8.707 6.240 1.00 21.14 O ATOM 0 H ASP A 51 49.809 -7.908 3.991 1.00 52.33 H new ATOM 0 HA ASP A 51 51.971 -9.395 2.614 1.00 1.13 H new ATOM 0 HB2 ASP A 51 51.004 -9.571 5.498 1.00 50.13 H new ATOM 0 HB3 ASP A 51 52.166 -10.662 4.769 1.00 50.13 H new ATOM 732 N ILE A 52 49.269 -10.728 3.972 1.00 70.40 N ATOM 733 CA ILE A 52 48.234 -11.735 3.771 1.00 22.12 C ATOM 734 C ILE A 52 46.898 -11.272 4.342 1.00 3.30 C ATOM 735 O ILE A 52 46.610 -11.476 5.522 1.00 4.02 O ATOM 736 CB ILE A 52 48.620 -13.077 4.422 1.00 40.41 C ATOM 737 CG1 ILE A 52 49.996 -13.530 3.930 1.00 2.21 C ATOM 738 CG2 ILE A 52 47.569 -14.134 4.119 1.00 12.11 C ATOM 739 CD1 ILE A 52 50.524 -14.750 4.651 1.00 30.14 C ATOM 0 H ILE A 52 49.250 -10.280 4.888 1.00 70.40 H new ATOM 0 HA ILE A 52 48.137 -11.877 2.695 1.00 22.12 H new ATOM 0 HB ILE A 52 48.668 -12.940 5.502 1.00 40.41 H new ATOM 0 HG12 ILE A 52 49.939 -13.745 2.863 1.00 2.21 H new ATOM 0 HG13 ILE A 52 50.704 -12.711 4.052 1.00 2.21 H new ATOM 0 HG21 ILE A 52 47.856 -15.076 4.586 1.00 12.11 H new ATOM 0 HG22 ILE A 52 46.605 -13.812 4.513 1.00 12.11 H new ATOM 0 HG23 ILE A 52 47.492 -14.272 3.040 1.00 12.11 H new ATOM 0 HD11 ILE A 52 51.503 -15.014 4.250 1.00 30.14 H new ATOM 0 HD12 ILE A 52 50.614 -14.533 5.715 1.00 30.14 H new ATOM 0 HD13 ILE A 52 49.836 -15.583 4.507 1.00 30.14 H new ATOM 751 N LEU A 53 46.085 -10.648 3.497 1.00 34.31 N ATOM 752 CA LEU A 53 44.777 -10.157 3.916 1.00 15.13 C ATOM 753 C LEU A 53 43.662 -10.826 3.118 1.00 41.52 C ATOM 754 O LEU A 53 43.685 -10.832 1.887 1.00 14.11 O ATOM 755 CB LEU A 53 44.702 -8.639 3.746 1.00 55.43 C ATOM 756 CG LEU A 53 45.798 -7.830 4.440 1.00 31.23 C ATOM 757 CD1 LEU A 53 46.094 -8.405 5.817 1.00 51.31 C ATOM 758 CD2 LEU A 53 47.059 -7.802 3.590 1.00 44.52 C ATOM 0 H LEU A 53 46.308 -10.470 2.518 1.00 34.31 H new ATOM 0 HA LEU A 53 44.643 -10.405 4.969 1.00 15.13 H new ATOM 0 HB2 LEU A 53 44.730 -8.411 2.680 1.00 55.43 H new ATOM 0 HB3 LEU A 53 43.736 -8.299 4.119 1.00 55.43 H new ATOM 0 HG LEU A 53 45.445 -6.806 4.564 1.00 31.23 H new ATOM 0 HD11 LEU A 53 46.876 -7.817 6.296 1.00 51.31 H new ATOM 0 HD12 LEU A 53 45.191 -8.373 6.427 1.00 51.31 H new ATOM 0 HD13 LEU A 53 46.427 -9.438 5.716 1.00 51.31 H new ATOM 0 HD21 LEU A 53 47.828 -7.222 4.099 1.00 44.52 H new ATOM 0 HD22 LEU A 53 47.416 -8.820 3.434 1.00 44.52 H new ATOM 0 HD23 LEU A 53 46.838 -7.344 2.626 1.00 44.52 H new ATOM 770 N SER A 54 42.687 -11.386 3.827 1.00 42.42 N ATOM 771 CA SER A 54 41.564 -12.058 3.184 1.00 22.32 C ATOM 772 C SER A 54 40.249 -11.690 3.864 1.00 21.24 C ATOM 773 O SER A 54 40.181 -11.581 5.089 1.00 54.20 O ATOM 774 CB SER A 54 41.763 -13.575 3.220 1.00 52.24 C ATOM 775 OG SER A 54 42.015 -14.087 1.922 1.00 3.55 O ATOM 0 H SER A 54 42.652 -11.388 4.846 1.00 42.42 H new ATOM 0 HA SER A 54 41.520 -11.728 2.146 1.00 22.32 H new ATOM 0 HB2 SER A 54 42.596 -13.820 3.879 1.00 52.24 H new ATOM 0 HB3 SER A 54 40.876 -14.052 3.637 1.00 52.24 H new ATOM 0 HG SER A 54 42.140 -15.058 1.972 1.00 3.55 H new ATOM 781 N ILE A 55 39.208 -11.500 3.061 1.00 31.41 N ATOM 782 CA ILE A 55 37.895 -11.146 3.585 1.00 54.34 C ATOM 783 C ILE A 55 36.784 -11.816 2.783 1.00 11.10 C ATOM 784 O ILE A 55 36.748 -11.725 1.556 1.00 41.30 O ATOM 785 CB ILE A 55 37.675 -9.621 3.569 1.00 23.42 C ATOM 786 CG1 ILE A 55 36.263 -9.282 4.052 1.00 64.43 C ATOM 787 CG2 ILE A 55 37.911 -9.066 2.172 1.00 21.44 C ATOM 788 CD1 ILE A 55 36.231 -8.213 5.121 1.00 53.44 C ATOM 0 H ILE A 55 39.248 -11.585 2.045 1.00 31.41 H new ATOM 0 HA ILE A 55 37.861 -11.500 4.615 1.00 54.34 H new ATOM 0 HB ILE A 55 38.391 -9.158 4.248 1.00 23.42 H new ATOM 0 HG12 ILE A 55 35.666 -8.952 3.202 1.00 64.43 H new ATOM 0 HG13 ILE A 55 35.793 -10.186 4.439 1.00 64.43 H new ATOM 0 HG21 ILE A 55 37.752 -7.988 2.177 1.00 21.44 H new ATOM 0 HG22 ILE A 55 38.934 -9.280 1.863 1.00 21.44 H new ATOM 0 HG23 ILE A 55 37.216 -9.532 1.473 1.00 21.44 H new ATOM 0 HD11 ILE A 55 35.199 -8.024 5.416 1.00 53.44 H new ATOM 0 HD12 ILE A 55 36.800 -8.548 5.988 1.00 53.44 H new ATOM 0 HD13 ILE A 55 36.671 -7.295 4.731 1.00 53.44 H new ATOM 800 N SER A 56 35.878 -12.488 3.485 1.00 35.14 N ATOM 801 CA SER A 56 34.766 -13.176 2.839 1.00 12.23 C ATOM 802 C SER A 56 33.430 -12.694 3.399 1.00 64.44 C ATOM 803 O SER A 56 33.236 -12.644 4.612 1.00 14.12 O ATOM 804 CB SER A 56 34.895 -14.688 3.028 1.00 22.51 C ATOM 805 OG SER A 56 36.251 -15.096 2.966 1.00 30.03 O ATOM 0 H SER A 56 35.892 -12.571 4.502 1.00 35.14 H new ATOM 0 HA SER A 56 34.798 -12.946 1.774 1.00 12.23 H new ATOM 0 HB2 SER A 56 34.469 -14.975 3.989 1.00 22.51 H new ATOM 0 HB3 SER A 56 34.321 -15.204 2.258 1.00 22.51 H new ATOM 0 HG SER A 56 36.297 -16.074 2.931 1.00 30.03 H new ATOM 811 N ASN A 57 32.514 -12.342 2.503 1.00 13.43 N ATOM 812 CA ASN A 57 31.196 -11.863 2.906 1.00 22.42 C ATOM 813 C ASN A 57 30.116 -12.390 1.967 1.00 74.13 C ATOM 814 O ASN A 57 29.621 -11.665 1.104 1.00 1.34 O ATOM 815 CB ASN A 57 31.170 -10.334 2.925 1.00 12.33 C ATOM 816 CG ASN A 57 32.473 -9.739 3.424 1.00 34.23 C ATOM 817 OD1 ASN A 57 33.494 -9.791 2.739 1.00 1.12 O ATOM 818 ND2 ASN A 57 32.442 -9.171 4.624 1.00 1.30 N ATOM 0 H ASN A 57 32.659 -12.379 1.494 1.00 13.43 H new ATOM 0 HA ASN A 57 30.993 -12.235 3.910 1.00 22.42 H new ATOM 0 HB2 ASN A 57 30.966 -9.964 1.920 1.00 12.33 H new ATOM 0 HB3 ASN A 57 30.352 -9.995 3.561 1.00 12.33 H new ATOM 0 HD21 ASN A 57 33.288 -8.755 5.013 1.00 1.30 H new ATOM 0 HD22 ASN A 57 31.572 -9.151 5.157 1.00 1.30 H new ATOM 825 N ALA A 58 29.754 -13.657 2.141 1.00 51.00 N ATOM 826 CA ALA A 58 28.730 -14.280 1.311 1.00 24.31 C ATOM 827 C ALA A 58 27.905 -15.279 2.115 1.00 12.11 C ATOM 828 O ALA A 58 27.190 -16.106 1.549 1.00 13.32 O ATOM 829 CB ALA A 58 29.368 -14.965 0.111 1.00 4.33 C ATOM 0 H ALA A 58 30.155 -14.272 2.849 1.00 51.00 H new ATOM 0 HA ALA A 58 28.060 -13.497 0.955 1.00 24.31 H new ATOM 0 HB1 ALA A 58 28.592 -15.426 -0.500 1.00 4.33 H new ATOM 0 HB2 ALA A 58 29.908 -14.228 -0.484 1.00 4.33 H new ATOM 0 HB3 ALA A 58 30.061 -15.732 0.456 1.00 4.33 H new ATOM 835 N SER A 59 28.009 -15.197 3.438 1.00 62.03 N ATOM 836 CA SER A 59 27.275 -16.097 4.320 1.00 63.14 C ATOM 837 C SER A 59 25.827 -15.644 4.475 1.00 11.44 C ATOM 838 O SER A 59 24.994 -16.367 5.022 1.00 52.22 O ATOM 839 CB SER A 59 27.951 -16.165 5.691 1.00 53.23 C ATOM 840 OG SER A 59 27.154 -15.540 6.683 1.00 64.52 O ATOM 0 H SER A 59 28.594 -14.517 3.922 1.00 62.03 H new ATOM 0 HA SER A 59 27.280 -17.090 3.871 1.00 63.14 H new ATOM 0 HB2 SER A 59 28.126 -17.206 5.963 1.00 53.23 H new ATOM 0 HB3 SER A 59 28.926 -15.680 5.644 1.00 53.23 H new ATOM 0 HG SER A 59 27.006 -16.163 7.424 1.00 64.52 H new ATOM 846 N ASP A 60 25.535 -14.442 3.991 1.00 12.53 N ATOM 847 CA ASP A 60 24.187 -13.890 4.075 1.00 63.30 C ATOM 848 C ASP A 60 23.860 -13.471 5.505 1.00 54.14 C ATOM 849 O ASP A 60 22.694 -13.296 5.859 1.00 32.20 O ATOM 850 CB ASP A 60 23.163 -14.914 3.583 1.00 20.11 C ATOM 851 CG ASP A 60 21.875 -14.266 3.116 1.00 51.45 C ATOM 852 OD1 ASP A 60 21.951 -13.247 2.398 1.00 53.24 O ATOM 853 OD2 ASP A 60 20.791 -14.776 3.468 1.00 30.32 O ATOM 0 H ASP A 60 26.213 -13.831 3.536 1.00 12.53 H new ATOM 0 HA ASP A 60 24.141 -13.007 3.438 1.00 63.30 H new ATOM 0 HB2 ASP A 60 23.594 -15.490 2.764 1.00 20.11 H new ATOM 0 HB3 ASP A 60 22.942 -15.617 4.386 1.00 20.11 H new ATOM 858 N SER A 61 24.896 -13.312 6.322 1.00 71.23 N ATOM 859 CA SER A 61 24.718 -12.918 7.714 1.00 20.23 C ATOM 860 C SER A 61 26.063 -12.619 8.370 1.00 34.24 C ATOM 861 O SER A 61 26.432 -11.459 8.556 1.00 35.13 O ATOM 862 CB SER A 61 23.993 -14.020 8.490 1.00 63.24 C ATOM 863 OG SER A 61 24.582 -15.286 8.246 1.00 34.24 O ATOM 0 H SER A 61 25.868 -13.450 6.044 1.00 71.23 H new ATOM 0 HA SER A 61 24.113 -12.011 7.735 1.00 20.23 H new ATOM 0 HB2 SER A 61 24.025 -13.800 9.557 1.00 63.24 H new ATOM 0 HB3 SER A 61 22.942 -14.042 8.201 1.00 63.24 H new ATOM 0 HG SER A 61 24.102 -15.973 8.754 1.00 34.24 H new ATOM 869 N HIS A 62 26.791 -13.675 8.719 1.00 4.24 N ATOM 870 CA HIS A 62 28.096 -13.527 9.355 1.00 40.25 C ATOM 871 C HIS A 62 29.196 -13.373 8.308 1.00 75.31 C ATOM 872 O HIS A 62 29.313 -14.186 7.392 1.00 35.52 O ATOM 873 CB HIS A 62 28.391 -14.732 10.248 1.00 2.44 C ATOM 874 CG HIS A 62 28.650 -15.994 9.486 1.00 64.15 C ATOM 875 ND1 HIS A 62 27.651 -16.871 9.120 1.00 22.43 N ATOM 876 CD2 HIS A 62 29.804 -16.524 9.017 1.00 63.40 C ATOM 877 CE1 HIS A 62 28.179 -17.887 8.462 1.00 64.53 C ATOM 878 NE2 HIS A 62 29.485 -17.701 8.385 1.00 52.22 N ATOM 0 H HIS A 62 26.500 -14.642 8.572 1.00 4.24 H new ATOM 0 HA HIS A 62 28.074 -12.626 9.969 1.00 40.25 H new ATOM 0 HB2 HIS A 62 29.258 -14.509 10.870 1.00 2.44 H new ATOM 0 HB3 HIS A 62 27.548 -14.890 10.921 1.00 2.44 H new ATOM 0 HD2 HIS A 62 30.792 -16.100 9.121 1.00 63.40 H new ATOM 0 HE1 HIS A 62 27.636 -18.727 8.056 1.00 64.53 H new ATOM 0 HE2 HIS A 62 30.148 -18.329 7.930 1.00 52.22 H new ATOM 886 N GLY A 63 29.999 -12.324 8.450 1.00 4.33 N ATOM 887 CA GLY A 63 31.078 -12.082 7.510 1.00 71.43 C ATOM 888 C GLY A 63 32.312 -12.907 7.819 1.00 51.32 C ATOM 889 O GLY A 63 32.211 -14.016 8.344 1.00 21.23 O ATOM 0 H GLY A 63 29.922 -11.637 9.200 1.00 4.33 H new ATOM 0 HA2 GLY A 63 30.735 -12.311 6.501 1.00 71.43 H new ATOM 0 HA3 GLY A 63 31.339 -11.024 7.526 1.00 71.43 H new ATOM 893 N LEU A 64 33.480 -12.366 7.491 1.00 0.40 N ATOM 894 CA LEU A 64 34.740 -13.059 7.735 1.00 30.23 C ATOM 895 C LEU A 64 35.928 -12.183 7.349 1.00 35.32 C ATOM 896 O LEU A 64 36.266 -12.062 6.172 1.00 35.42 O ATOM 897 CB LEU A 64 34.783 -14.371 6.950 1.00 30.43 C ATOM 898 CG LEU A 64 36.174 -14.947 6.681 1.00 53.03 C ATOM 899 CD1 LEU A 64 36.977 -15.028 7.969 1.00 31.15 C ATOM 900 CD2 LEU A 64 36.066 -16.318 6.030 1.00 64.32 C ATOM 0 H LEU A 64 33.581 -11.449 7.055 1.00 0.40 H new ATOM 0 HA LEU A 64 34.805 -13.278 8.801 1.00 30.23 H new ATOM 0 HB2 LEU A 64 34.202 -15.116 7.494 1.00 30.43 H new ATOM 0 HB3 LEU A 64 34.285 -14.215 5.993 1.00 30.43 H new ATOM 0 HG LEU A 64 36.696 -14.281 5.994 1.00 53.03 H new ATOM 0 HD11 LEU A 64 37.964 -15.440 7.757 1.00 31.15 H new ATOM 0 HD12 LEU A 64 37.084 -14.030 8.394 1.00 31.15 H new ATOM 0 HD13 LEU A 64 36.460 -15.672 8.680 1.00 31.15 H new ATOM 0 HD21 LEU A 64 37.065 -16.713 5.846 1.00 64.32 H new ATOM 0 HD22 LEU A 64 35.525 -16.994 6.693 1.00 64.32 H new ATOM 0 HD23 LEU A 64 35.530 -16.231 5.085 1.00 64.32 H new ATOM 912 N ALA A 65 36.558 -11.576 8.349 1.00 1.02 N ATOM 913 CA ALA A 65 37.711 -10.715 8.115 1.00 54.12 C ATOM 914 C ALA A 65 38.953 -11.259 8.811 1.00 22.31 C ATOM 915 O ALA A 65 39.054 -11.226 10.037 1.00 10.04 O ATOM 916 CB ALA A 65 37.416 -9.299 8.587 1.00 1.11 C ATOM 0 H ALA A 65 36.290 -11.664 9.329 1.00 1.02 H new ATOM 0 HA ALA A 65 37.907 -10.696 7.043 1.00 54.12 H new ATOM 0 HB1 ALA A 65 38.285 -8.667 8.406 1.00 1.11 H new ATOM 0 HB2 ALA A 65 36.560 -8.904 8.040 1.00 1.11 H new ATOM 0 HB3 ALA A 65 37.191 -9.310 9.653 1.00 1.11 H new ATOM 922 N SER A 66 39.897 -11.761 8.021 1.00 51.23 N ATOM 923 CA SER A 66 41.131 -12.317 8.562 1.00 5.21 C ATOM 924 C SER A 66 42.347 -11.575 8.015 1.00 62.35 C ATOM 925 O SER A 66 42.427 -11.286 6.820 1.00 3.42 O ATOM 926 CB SER A 66 41.235 -13.806 8.227 1.00 31.15 C ATOM 927 OG SER A 66 42.314 -14.410 8.919 1.00 20.50 O ATOM 0 H SER A 66 39.830 -11.794 7.004 1.00 51.23 H new ATOM 0 HA SER A 66 41.110 -12.196 9.645 1.00 5.21 H new ATOM 0 HB2 SER A 66 40.304 -14.307 8.491 1.00 31.15 H new ATOM 0 HB3 SER A 66 41.372 -13.932 7.153 1.00 31.15 H new ATOM 0 HG SER A 66 42.358 -15.362 8.689 1.00 20.50 H new ATOM 933 N THR A 67 43.294 -11.270 8.897 1.00 35.11 N ATOM 934 CA THR A 67 44.505 -10.562 8.504 1.00 0.44 C ATOM 935 C THR A 67 45.708 -11.043 9.307 1.00 63.53 C ATOM 936 O THR A 67 45.690 -11.036 10.538 1.00 34.33 O ATOM 937 CB THR A 67 44.352 -9.040 8.693 1.00 24.51 C ATOM 938 OG1 THR A 67 44.152 -8.736 10.078 1.00 25.20 O ATOM 939 CG2 THR A 67 43.183 -8.509 7.878 1.00 42.30 C ATOM 0 H THR A 67 43.245 -11.503 9.889 1.00 35.11 H new ATOM 0 HA THR A 67 44.667 -10.776 7.448 1.00 0.44 H new ATOM 0 HB THR A 67 45.266 -8.559 8.344 1.00 24.51 H new ATOM 0 HG1 THR A 67 44.628 -9.392 10.629 1.00 25.20 H new ATOM 0 HG21 THR A 67 43.094 -7.433 8.027 1.00 42.30 H new ATOM 0 HG22 THR A 67 43.352 -8.716 6.821 1.00 42.30 H new ATOM 0 HG23 THR A 67 42.263 -8.997 8.201 1.00 42.30 H new ATOM 947 N LEU A 68 46.754 -11.461 8.602 1.00 22.22 N ATOM 948 CA LEU A 68 47.968 -11.946 9.249 1.00 22.35 C ATOM 949 C LEU A 68 49.197 -11.213 8.722 1.00 40.32 C ATOM 950 O LEU A 68 49.929 -11.733 7.880 1.00 14.35 O ATOM 951 CB LEU A 68 48.123 -13.451 9.025 1.00 60.53 C ATOM 952 CG LEU A 68 49.068 -14.179 9.982 1.00 73.44 C ATOM 953 CD1 LEU A 68 48.428 -15.462 10.491 1.00 51.42 C ATOM 954 CD2 LEU A 68 50.394 -14.478 9.298 1.00 52.04 C ATOM 0 H LEU A 68 46.786 -11.474 7.583 1.00 22.22 H new ATOM 0 HA LEU A 68 47.882 -11.751 10.318 1.00 22.35 H new ATOM 0 HB2 LEU A 68 47.138 -13.912 9.098 1.00 60.53 H new ATOM 0 HB3 LEU A 68 48.475 -13.612 8.006 1.00 60.53 H new ATOM 0 HG LEU A 68 49.261 -13.529 10.836 1.00 73.44 H new ATOM 0 HD11 LEU A 68 49.115 -15.967 11.171 1.00 51.42 H new ATOM 0 HD12 LEU A 68 47.505 -15.223 11.019 1.00 51.42 H new ATOM 0 HD13 LEU A 68 48.205 -16.117 9.648 1.00 51.42 H new ATOM 0 HD21 LEU A 68 51.054 -14.996 9.994 1.00 52.04 H new ATOM 0 HD22 LEU A 68 50.220 -15.108 8.426 1.00 52.04 H new ATOM 0 HD23 LEU A 68 50.860 -13.544 8.983 1.00 52.04 H new ATOM 966 N ASN A 69 49.418 -10.002 9.224 1.00 22.20 N ATOM 967 CA ASN A 69 50.560 -9.197 8.804 1.00 32.53 C ATOM 968 C ASN A 69 51.069 -8.334 9.954 1.00 31.05 C ATOM 969 O ASN A 69 50.469 -8.298 11.028 1.00 0.04 O ATOM 970 CB ASN A 69 50.177 -8.311 7.617 1.00 32.43 C ATOM 971 CG ASN A 69 49.487 -7.032 8.050 1.00 74.23 C ATOM 972 OD1 ASN A 69 50.136 -6.013 8.287 1.00 35.33 O ATOM 973 ND2 ASN A 69 48.164 -7.080 8.154 1.00 74.00 N ATOM 0 H ASN A 69 48.822 -9.557 9.922 1.00 22.20 H new ATOM 0 HA ASN A 69 51.358 -9.874 8.500 1.00 32.53 H new ATOM 0 HB2 ASN A 69 51.073 -8.063 7.048 1.00 32.43 H new ATOM 0 HB3 ASN A 69 49.519 -8.867 6.949 1.00 32.43 H new ATOM 0 HD21 ASN A 69 47.645 -6.250 8.440 1.00 74.00 H new ATOM 0 HD22 ASN A 69 47.667 -7.947 7.947 1.00 74.00 H new ATOM 980 N GLN A 70 52.178 -7.640 9.720 1.00 21.23 N ATOM 981 CA GLN A 70 52.768 -6.777 10.737 1.00 75.00 C ATOM 982 C GLN A 70 52.422 -5.315 10.476 1.00 5.41 C ATOM 983 O GLN A 70 53.264 -4.539 10.024 1.00 53.00 O ATOM 984 CB GLN A 70 54.286 -6.957 10.771 1.00 42.12 C ATOM 985 CG GLN A 70 54.725 -8.410 10.858 1.00 40.34 C ATOM 986 CD GLN A 70 56.229 -8.559 10.978 1.00 52.00 C ATOM 987 OE1 GLN A 70 56.860 -7.932 11.829 1.00 44.11 O ATOM 988 NE2 GLN A 70 56.811 -9.393 10.124 1.00 4.14 N ATOM 0 H GLN A 70 52.686 -7.658 8.836 1.00 21.23 H new ATOM 0 HA GLN A 70 52.355 -7.062 11.705 1.00 75.00 H new ATOM 0 HB2 GLN A 70 54.717 -6.509 9.875 1.00 42.12 H new ATOM 0 HB3 GLN A 70 54.689 -6.413 11.625 1.00 42.12 H new ATOM 0 HG2 GLN A 70 54.247 -8.879 11.718 1.00 40.34 H new ATOM 0 HG3 GLN A 70 54.380 -8.943 9.972 1.00 40.34 H new ATOM 0 HE21 GLN A 70 56.248 -9.892 9.435 1.00 4.14 H new ATOM 0 HE22 GLN A 70 57.821 -9.535 10.157 1.00 4.14 H new ATOM 997 N GLY A 71 51.178 -4.944 10.764 1.00 22.51 N ATOM 998 CA GLY A 71 50.744 -3.576 10.554 1.00 52.15 C ATOM 999 C GLY A 71 49.287 -3.368 10.916 1.00 11.25 C ATOM 1000 O GLY A 71 48.822 -3.852 11.947 1.00 0.25 O ATOM 0 H GLY A 71 50.463 -5.567 11.139 1.00 22.51 H new ATOM 0 HA2 GLY A 71 51.363 -2.906 11.151 1.00 52.15 H new ATOM 0 HA3 GLY A 71 50.898 -3.306 9.509 1.00 52.15 H new ATOM 1004 N ASN A 72 48.565 -2.644 10.067 1.00 13.25 N ATOM 1005 CA ASN A 72 47.152 -2.370 10.306 1.00 61.54 C ATOM 1006 C ASN A 72 46.324 -2.664 9.059 1.00 55.34 C ATOM 1007 O ASN A 72 46.780 -2.457 7.934 1.00 53.30 O ATOM 1008 CB ASN A 72 46.958 -0.913 10.730 1.00 75.32 C ATOM 1009 CG ASN A 72 47.913 0.028 10.021 1.00 33.51 C ATOM 1010 OD1 ASN A 72 47.790 0.265 8.819 1.00 1.34 O ATOM 1011 ND2 ASN A 72 48.871 0.568 10.765 1.00 62.14 N ATOM 0 H ASN A 72 48.934 -2.237 9.208 1.00 13.25 H new ATOM 0 HA ASN A 72 46.811 -3.023 11.110 1.00 61.54 H new ATOM 0 HB2 ASN A 72 45.932 -0.610 10.521 1.00 75.32 H new ATOM 0 HB3 ASN A 72 47.102 -0.829 11.807 1.00 75.32 H new ATOM 0 HD21 ASN A 72 49.544 1.209 10.344 1.00 62.14 H new ATOM 0 HD22 ASN A 72 48.934 0.342 11.758 1.00 62.14 H new ATOM 1018 N VAL A 73 45.103 -3.147 9.266 1.00 55.30 N ATOM 1019 CA VAL A 73 44.209 -3.467 8.159 1.00 31.03 C ATOM 1020 C VAL A 73 42.865 -2.765 8.317 1.00 31.05 C ATOM 1021 O VAL A 73 42.380 -2.572 9.433 1.00 52.15 O ATOM 1022 CB VAL A 73 43.973 -4.985 8.050 1.00 60.13 C ATOM 1023 CG1 VAL A 73 45.265 -5.702 7.688 1.00 2.35 C ATOM 1024 CG2 VAL A 73 43.397 -5.529 9.348 1.00 31.52 C ATOM 0 H VAL A 73 44.710 -3.325 10.190 1.00 55.30 H new ATOM 0 HA VAL A 73 44.694 -3.115 7.248 1.00 31.03 H new ATOM 0 HB VAL A 73 43.250 -5.166 7.255 1.00 60.13 H new ATOM 0 HG11 VAL A 73 45.078 -6.773 7.616 1.00 2.35 H new ATOM 0 HG12 VAL A 73 45.631 -5.332 6.730 1.00 2.35 H new ATOM 0 HG13 VAL A 73 46.013 -5.515 8.459 1.00 2.35 H new ATOM 0 HG21 VAL A 73 43.237 -6.603 9.253 1.00 31.52 H new ATOM 0 HG22 VAL A 73 44.094 -5.337 10.164 1.00 31.52 H new ATOM 0 HG23 VAL A 73 42.447 -5.038 9.559 1.00 31.52 H new ATOM 1034 N LYS A 74 42.266 -2.385 7.194 1.00 63.03 N ATOM 1035 CA LYS A 74 40.976 -1.705 7.205 1.00 24.54 C ATOM 1036 C LYS A 74 39.993 -2.388 6.260 1.00 21.41 C ATOM 1037 O LYS A 74 40.233 -2.476 5.056 1.00 61.11 O ATOM 1038 CB LYS A 74 41.146 -0.237 6.808 1.00 65.52 C ATOM 1039 CG LYS A 74 39.850 0.554 6.835 1.00 44.11 C ATOM 1040 CD LYS A 74 39.305 0.682 8.247 1.00 13.32 C ATOM 1041 CE LYS A 74 39.553 2.071 8.817 1.00 71.33 C ATOM 1042 NZ LYS A 74 38.437 3.006 8.504 1.00 43.12 N ATOM 0 H LYS A 74 42.654 -2.537 6.263 1.00 63.03 H new ATOM 0 HA LYS A 74 40.575 -1.757 8.217 1.00 24.54 H new ATOM 0 HB2 LYS A 74 41.862 0.232 7.482 1.00 65.52 H new ATOM 0 HB3 LYS A 74 41.571 -0.187 5.806 1.00 65.52 H new ATOM 0 HG2 LYS A 74 40.020 1.547 6.418 1.00 44.11 H new ATOM 0 HG3 LYS A 74 39.110 0.064 6.201 1.00 44.11 H new ATOM 0 HD2 LYS A 74 38.235 0.474 8.245 1.00 13.32 H new ATOM 0 HD3 LYS A 74 39.774 -0.065 8.888 1.00 13.32 H new ATOM 0 HE2 LYS A 74 39.678 2.003 9.898 1.00 71.33 H new ATOM 0 HE3 LYS A 74 40.484 2.469 8.413 1.00 71.33 H new ATOM 0 HZ1 LYS A 74 38.644 3.941 8.909 1.00 43.12 H new ATOM 0 HZ2 LYS A 74 38.334 3.091 7.473 1.00 43.12 H new ATOM 0 HZ3 LYS A 74 37.553 2.640 8.911 1.00 43.12 H new ATOM 1056 N VAL A 75 38.884 -2.870 6.813 1.00 4.24 N ATOM 1057 CA VAL A 75 37.863 -3.542 6.019 1.00 25.51 C ATOM 1058 C VAL A 75 36.593 -2.705 5.934 1.00 14.34 C ATOM 1059 O VAL A 75 35.985 -2.372 6.953 1.00 61.23 O ATOM 1060 CB VAL A 75 37.516 -4.924 6.605 1.00 64.00 C ATOM 1061 CG1 VAL A 75 38.617 -5.927 6.296 1.00 62.21 C ATOM 1062 CG2 VAL A 75 37.282 -4.823 8.105 1.00 52.34 C ATOM 0 H VAL A 75 38.670 -2.807 7.808 1.00 4.24 H new ATOM 0 HA VAL A 75 38.275 -3.673 5.019 1.00 25.51 H new ATOM 0 HB VAL A 75 36.595 -5.276 6.139 1.00 64.00 H new ATOM 0 HG11 VAL A 75 38.354 -6.897 6.718 1.00 62.21 H new ATOM 0 HG12 VAL A 75 38.732 -6.020 5.216 1.00 62.21 H new ATOM 0 HG13 VAL A 75 39.555 -5.584 6.732 1.00 62.21 H new ATOM 0 HG21 VAL A 75 37.038 -5.808 8.502 1.00 52.34 H new ATOM 0 HG22 VAL A 75 38.184 -4.449 8.590 1.00 52.34 H new ATOM 0 HG23 VAL A 75 36.456 -4.139 8.299 1.00 52.34 H new ATOM 1072 N THR A 76 36.194 -2.366 4.712 1.00 10.21 N ATOM 1073 CA THR A 76 34.995 -1.566 4.493 1.00 24.14 C ATOM 1074 C THR A 76 34.010 -2.290 3.583 1.00 42.23 C ATOM 1075 O THR A 76 34.396 -2.853 2.559 1.00 54.03 O ATOM 1076 CB THR A 76 35.338 -0.198 3.875 1.00 3.52 C ATOM 1077 OG1 THR A 76 36.404 0.418 4.608 1.00 73.22 O ATOM 1078 CG2 THR A 76 34.122 0.716 3.875 1.00 1.32 C ATOM 0 H THR A 76 36.684 -2.633 3.858 1.00 10.21 H new ATOM 0 HA THR A 76 34.536 -1.410 5.469 1.00 24.14 H new ATOM 0 HB THR A 76 35.652 -0.359 2.844 1.00 3.52 H new ATOM 0 HG1 THR A 76 36.617 1.287 4.207 1.00 73.22 H new ATOM 0 HG21 THR A 76 34.389 1.676 3.434 1.00 1.32 H new ATOM 0 HG22 THR A 76 33.323 0.258 3.292 1.00 1.32 H new ATOM 0 HG23 THR A 76 33.782 0.869 4.899 1.00 1.32 H new ATOM 1086 N ALA A 77 32.737 -2.270 3.962 1.00 33.11 N ATOM 1087 CA ALA A 77 31.696 -2.922 3.178 1.00 73.45 C ATOM 1088 C ALA A 77 30.384 -2.149 3.255 1.00 33.14 C ATOM 1089 O ALA A 77 29.953 -1.746 4.336 1.00 41.22 O ATOM 1090 CB ALA A 77 31.496 -4.354 3.652 1.00 12.05 C ATOM 0 H ALA A 77 32.402 -1.809 4.808 1.00 33.11 H new ATOM 0 HA ALA A 77 32.017 -2.937 2.137 1.00 73.45 H new ATOM 0 HB1 ALA A 77 30.715 -4.828 3.057 1.00 12.05 H new ATOM 0 HB2 ALA A 77 32.427 -4.909 3.537 1.00 12.05 H new ATOM 0 HB3 ALA A 77 31.202 -4.352 4.702 1.00 12.05 H new ATOM 1096 N SER A 78 29.753 -1.945 2.103 1.00 20.13 N ATOM 1097 CA SER A 78 28.492 -1.216 2.041 1.00 51.31 C ATOM 1098 C SER A 78 27.559 -1.832 1.003 1.00 34.13 C ATOM 1099 O SER A 78 27.988 -2.209 -0.087 1.00 61.04 O ATOM 1100 CB SER A 78 28.745 0.255 1.706 1.00 42.43 C ATOM 1101 OG SER A 78 29.739 0.807 2.552 1.00 50.43 O ATOM 0 H SER A 78 30.095 -2.274 1.200 1.00 20.13 H new ATOM 0 HA SER A 78 28.014 -1.282 3.019 1.00 51.31 H new ATOM 0 HB2 SER A 78 29.057 0.346 0.666 1.00 42.43 H new ATOM 0 HB3 SER A 78 27.819 0.820 1.811 1.00 42.43 H new ATOM 0 HG SER A 78 29.883 1.747 2.317 1.00 50.43 H new ATOM 1107 N ILE A 79 26.280 -1.931 1.352 1.00 61.25 N ATOM 1108 CA ILE A 79 25.286 -2.501 0.451 1.00 55.51 C ATOM 1109 C ILE A 79 23.997 -1.686 0.469 1.00 12.42 C ATOM 1110 O ILE A 79 23.267 -1.681 1.460 1.00 41.43 O ATOM 1111 CB ILE A 79 24.962 -3.960 0.820 1.00 32.30 C ATOM 1112 CG1 ILE A 79 23.829 -4.493 -0.060 1.00 11.41 C ATOM 1113 CG2 ILE A 79 24.590 -4.065 2.292 1.00 44.43 C ATOM 1114 CD1 ILE A 79 24.148 -4.464 -1.538 1.00 53.23 C ATOM 0 H ILE A 79 25.909 -1.624 2.251 1.00 61.25 H new ATOM 0 HA ILE A 79 25.716 -2.475 -0.550 1.00 55.51 H new ATOM 0 HB ILE A 79 25.850 -4.568 0.645 1.00 32.30 H new ATOM 0 HG12 ILE A 79 23.602 -5.518 0.235 1.00 11.41 H new ATOM 0 HG13 ILE A 79 22.931 -3.903 0.121 1.00 11.41 H new ATOM 0 HG21 ILE A 79 24.364 -5.103 2.537 1.00 44.43 H new ATOM 0 HG22 ILE A 79 25.424 -3.721 2.904 1.00 44.43 H new ATOM 0 HG23 ILE A 79 23.715 -3.446 2.491 1.00 44.43 H new ATOM 0 HD11 ILE A 79 23.301 -4.856 -2.101 1.00 53.23 H new ATOM 0 HD12 ILE A 79 24.346 -3.438 -1.847 1.00 53.23 H new ATOM 0 HD13 ILE A 79 25.028 -5.077 -1.732 1.00 53.23 H new ATOM 1126 N GLY A 80 23.722 -0.998 -0.635 1.00 50.21 N ATOM 1127 CA GLY A 80 22.520 -0.190 -0.726 1.00 11.20 C ATOM 1128 C GLY A 80 22.643 1.119 0.029 1.00 74.12 C ATOM 1129 O GLY A 80 23.501 1.944 -0.281 1.00 10.13 O ATOM 0 H GLY A 80 24.310 -0.986 -1.468 1.00 50.21 H new ATOM 0 HA2 GLY A 80 22.304 0.017 -1.774 1.00 11.20 H new ATOM 0 HA3 GLY A 80 21.675 -0.755 -0.332 1.00 11.20 H new ATOM 1133 N GLY A 81 21.780 1.311 1.022 1.00 20.44 N ATOM 1134 CA GLY A 81 21.811 2.531 1.807 1.00 43.22 C ATOM 1135 C GLY A 81 22.846 2.483 2.914 1.00 75.41 C ATOM 1136 O GLY A 81 23.990 2.896 2.722 1.00 74.41 O ATOM 0 H GLY A 81 21.060 0.643 1.297 1.00 20.44 H new ATOM 0 HA2 GLY A 81 22.024 3.376 1.152 1.00 43.22 H new ATOM 0 HA3 GLY A 81 20.827 2.705 2.242 1.00 43.22 H new ATOM 1140 N ILE A 82 22.443 1.979 4.076 1.00 61.34 N ATOM 1141 CA ILE A 82 23.344 1.879 5.217 1.00 33.33 C ATOM 1142 C ILE A 82 24.654 1.204 4.826 1.00 2.33 C ATOM 1143 O ILE A 82 24.684 0.353 3.938 1.00 31.12 O ATOM 1144 CB ILE A 82 22.700 1.093 6.375 1.00 61.42 C ATOM 1145 CG1 ILE A 82 21.371 1.734 6.779 1.00 3.22 C ATOM 1146 CG2 ILE A 82 23.648 1.030 7.563 1.00 34.55 C ATOM 1147 CD1 ILE A 82 20.681 1.025 7.924 1.00 44.15 C ATOM 0 H ILE A 82 21.499 1.634 4.252 1.00 61.34 H new ATOM 0 HA ILE A 82 23.548 2.897 5.548 1.00 33.33 H new ATOM 0 HB ILE A 82 22.502 0.075 6.039 1.00 61.42 H new ATOM 0 HG12 ILE A 82 21.548 2.772 7.059 1.00 3.22 H new ATOM 0 HG13 ILE A 82 20.705 1.746 5.916 1.00 3.22 H new ATOM 0 HG21 ILE A 82 23.179 0.472 8.373 1.00 34.55 H new ATOM 0 HG22 ILE A 82 24.571 0.532 7.266 1.00 34.55 H new ATOM 0 HG23 ILE A 82 23.874 2.041 7.902 1.00 34.55 H new ATOM 0 HD11 ILE A 82 19.746 1.534 8.156 1.00 44.15 H new ATOM 0 HD12 ILE A 82 20.472 -0.006 7.640 1.00 44.15 H new ATOM 0 HD13 ILE A 82 21.328 1.036 8.801 1.00 44.15 H new ATOM 1159 N GLN A 83 25.735 1.590 5.497 1.00 71.10 N ATOM 1160 CA GLN A 83 27.049 1.021 5.220 1.00 53.10 C ATOM 1161 C GLN A 83 27.753 0.623 6.513 1.00 60.23 C ATOM 1162 O GLN A 83 27.382 1.070 7.597 1.00 74.10 O ATOM 1163 CB GLN A 83 27.908 2.021 4.445 1.00 53.54 C ATOM 1164 CG GLN A 83 27.809 3.444 4.970 1.00 13.44 C ATOM 1165 CD GLN A 83 26.932 4.327 4.104 1.00 44.22 C ATOM 1166 OE1 GLN A 83 26.960 4.235 2.876 1.00 1.42 O ATOM 1167 NE2 GLN A 83 26.148 5.189 4.740 1.00 53.45 N ATOM 0 H GLN A 83 25.727 2.294 6.235 1.00 71.10 H new ATOM 0 HA GLN A 83 26.909 0.126 4.613 1.00 53.10 H new ATOM 0 HB2 GLN A 83 28.949 1.700 4.484 1.00 53.54 H new ATOM 0 HB3 GLN A 83 27.609 2.008 3.397 1.00 53.54 H new ATOM 0 HG2 GLN A 83 27.410 3.426 5.984 1.00 13.44 H new ATOM 0 HG3 GLN A 83 28.808 3.876 5.028 1.00 13.44 H new ATOM 0 HE21 GLN A 83 26.157 5.231 5.759 1.00 53.45 H new ATOM 0 HE22 GLN A 83 25.536 5.809 4.210 1.00 53.45 H new ATOM 1176 N GLY A 84 28.772 -0.222 6.390 1.00 45.04 N ATOM 1177 CA GLY A 84 29.512 -0.667 7.556 1.00 3.21 C ATOM 1178 C GLY A 84 30.993 -0.360 7.455 1.00 3.02 C ATOM 1179 O GLY A 84 31.568 -0.394 6.367 1.00 4.14 O ATOM 0 H GLY A 84 29.098 -0.606 5.503 1.00 45.04 H new ATOM 0 HA2 GLY A 84 29.105 -0.187 8.446 1.00 3.21 H new ATOM 0 HA3 GLY A 84 29.374 -1.741 7.682 1.00 3.21 H new ATOM 1183 N SER A 85 31.612 -0.058 8.592 1.00 3.20 N ATOM 1184 CA SER A 85 33.035 0.262 8.626 1.00 15.03 C ATOM 1185 C SER A 85 33.675 -0.247 9.914 1.00 11.12 C ATOM 1186 O SER A 85 33.117 -0.095 11.002 1.00 62.13 O ATOM 1187 CB SER A 85 33.242 1.773 8.502 1.00 23.34 C ATOM 1188 OG SER A 85 32.161 2.382 7.818 1.00 63.43 O ATOM 0 H SER A 85 31.151 -0.028 9.501 1.00 3.20 H new ATOM 0 HA SER A 85 33.515 -0.234 7.782 1.00 15.03 H new ATOM 0 HB2 SER A 85 33.342 2.212 9.495 1.00 23.34 H new ATOM 0 HB3 SER A 85 34.172 1.973 7.970 1.00 23.34 H new ATOM 0 HG SER A 85 32.317 3.347 7.753 1.00 63.43 H new ATOM 1194 N THR A 86 34.851 -0.853 9.784 1.00 42.43 N ATOM 1195 CA THR A 86 35.568 -1.386 10.935 1.00 3.41 C ATOM 1196 C THR A 86 37.075 -1.237 10.761 1.00 4.22 C ATOM 1197 O THR A 86 37.579 -1.196 9.639 1.00 64.23 O ATOM 1198 CB THR A 86 35.234 -2.871 11.167 1.00 71.23 C ATOM 1199 OG1 THR A 86 36.334 -3.527 11.806 1.00 25.22 O ATOM 1200 CG2 THR A 86 34.918 -3.566 9.851 1.00 72.30 C ATOM 0 H THR A 86 35.327 -0.987 8.892 1.00 42.43 H new ATOM 0 HA THR A 86 35.246 -0.809 11.802 1.00 3.41 H new ATOM 0 HB THR A 86 34.356 -2.927 11.810 1.00 71.23 H new ATOM 0 HG1 THR A 86 36.074 -3.794 12.712 1.00 25.22 H new ATOM 0 HG21 THR A 86 34.685 -4.614 10.040 1.00 72.30 H new ATOM 0 HG22 THR A 86 34.061 -3.083 9.381 1.00 72.30 H new ATOM 0 HG23 THR A 86 35.781 -3.500 9.188 1.00 72.30 H new ATOM 1208 N ASP A 87 37.790 -1.157 11.878 1.00 11.52 N ATOM 1209 CA ASP A 87 39.241 -1.014 11.849 1.00 30.01 C ATOM 1210 C ASP A 87 39.915 -2.158 12.601 1.00 55.20 C ATOM 1211 O ASP A 87 39.596 -2.425 13.760 1.00 63.31 O ATOM 1212 CB ASP A 87 39.655 0.327 12.457 1.00 24.45 C ATOM 1213 CG ASP A 87 41.126 0.366 12.825 1.00 34.44 C ATOM 1214 OD1 ASP A 87 41.967 0.377 11.903 1.00 25.33 O ATOM 1215 OD2 ASP A 87 41.435 0.384 14.036 1.00 55.35 O ATOM 0 H ASP A 87 37.388 -1.189 12.815 1.00 11.52 H new ATOM 0 HA ASP A 87 39.564 -1.047 10.809 1.00 30.01 H new ATOM 0 HB2 ASP A 87 39.439 1.126 11.748 1.00 24.45 H new ATOM 0 HB3 ASP A 87 39.056 0.520 13.347 1.00 24.45 H new ATOM 1220 N PHE A 88 40.846 -2.830 11.933 1.00 21.54 N ATOM 1221 CA PHE A 88 41.563 -3.947 12.538 1.00 63.24 C ATOM 1222 C PHE A 88 43.063 -3.670 12.582 1.00 1.13 C ATOM 1223 O PHE A 88 43.642 -3.164 11.621 1.00 51.24 O ATOM 1224 CB PHE A 88 41.294 -5.236 11.757 1.00 4.42 C ATOM 1225 CG PHE A 88 40.135 -6.028 12.290 1.00 24.42 C ATOM 1226 CD1 PHE A 88 40.308 -6.910 13.345 1.00 4.21 C ATOM 1227 CD2 PHE A 88 38.873 -5.893 11.736 1.00 52.43 C ATOM 1228 CE1 PHE A 88 39.244 -7.641 13.838 1.00 12.42 C ATOM 1229 CE2 PHE A 88 37.805 -6.620 12.225 1.00 75.31 C ATOM 1230 CZ PHE A 88 37.990 -7.496 13.276 1.00 24.35 C ATOM 0 H PHE A 88 41.122 -2.621 10.973 1.00 21.54 H new ATOM 0 HA PHE A 88 41.203 -4.067 13.560 1.00 63.24 H new ATOM 0 HB2 PHE A 88 41.104 -4.986 10.713 1.00 4.42 H new ATOM 0 HB3 PHE A 88 42.189 -5.858 11.778 1.00 4.42 H new ATOM 0 HD1 PHE A 88 41.286 -7.027 13.787 1.00 4.21 H new ATOM 0 HD2 PHE A 88 38.722 -5.211 10.912 1.00 52.43 H new ATOM 0 HE1 PHE A 88 39.392 -8.324 14.661 1.00 12.42 H new ATOM 0 HE2 PHE A 88 36.826 -6.503 11.785 1.00 75.31 H new ATOM 0 HZ PHE A 88 37.156 -8.067 13.658 1.00 24.35 H new ATOM 1240 N LYS A 89 43.687 -4.005 13.707 1.00 42.35 N ATOM 1241 CA LYS A 89 45.120 -3.794 13.879 1.00 14.51 C ATOM 1242 C LYS A 89 45.810 -5.080 14.320 1.00 30.21 C ATOM 1243 O LYS A 89 45.553 -5.592 15.410 1.00 61.33 O ATOM 1244 CB LYS A 89 45.373 -2.688 14.907 1.00 71.22 C ATOM 1245 CG LYS A 89 45.543 -1.311 14.289 1.00 11.03 C ATOM 1246 CD LYS A 89 46.804 -0.627 14.790 1.00 21.21 C ATOM 1247 CE LYS A 89 46.666 -0.198 16.243 1.00 61.22 C ATOM 1248 NZ LYS A 89 47.356 -1.140 17.167 1.00 4.12 N ATOM 0 H LYS A 89 43.223 -4.424 14.513 1.00 42.35 H new ATOM 0 HA LYS A 89 45.536 -3.491 12.918 1.00 14.51 H new ATOM 0 HB2 LYS A 89 44.541 -2.661 15.611 1.00 71.22 H new ATOM 0 HB3 LYS A 89 46.268 -2.933 15.479 1.00 71.22 H new ATOM 0 HG2 LYS A 89 45.583 -1.401 13.203 1.00 11.03 H new ATOM 0 HG3 LYS A 89 44.675 -0.695 14.526 1.00 11.03 H new ATOM 0 HD2 LYS A 89 47.652 -1.305 14.689 1.00 21.21 H new ATOM 0 HD3 LYS A 89 47.017 0.244 14.171 1.00 21.21 H new ATOM 0 HE2 LYS A 89 47.081 0.802 16.367 1.00 61.22 H new ATOM 0 HE3 LYS A 89 45.610 -0.140 16.506 1.00 61.22 H new ATOM 0 HZ1 LYS A 89 47.537 -0.666 18.075 1.00 4.12 H new ATOM 0 HZ2 LYS A 89 46.755 -1.974 17.326 1.00 4.12 H new ATOM 0 HZ3 LYS A 89 48.259 -1.440 16.747 1.00 4.12 H new ATOM 1262 N VAL A 90 46.689 -5.597 13.467 1.00 33.41 N ATOM 1263 CA VAL A 90 47.418 -6.823 13.770 1.00 1.22 C ATOM 1264 C VAL A 90 48.862 -6.522 14.158 1.00 55.43 C ATOM 1265 O VAL A 90 49.587 -5.851 13.422 1.00 0.05 O ATOM 1266 CB VAL A 90 47.411 -7.791 12.572 1.00 21.13 C ATOM 1267 CG1 VAL A 90 47.863 -7.078 11.307 1.00 60.42 C ATOM 1268 CG2 VAL A 90 48.292 -8.998 12.858 1.00 10.11 C ATOM 0 H VAL A 90 46.913 -5.186 12.561 1.00 33.41 H new ATOM 0 HA VAL A 90 46.909 -7.294 14.611 1.00 1.22 H new ATOM 0 HB VAL A 90 46.391 -8.143 12.417 1.00 21.13 H new ATOM 0 HG11 VAL A 90 47.852 -7.778 10.471 1.00 60.42 H new ATOM 0 HG12 VAL A 90 47.188 -6.249 11.095 1.00 60.42 H new ATOM 0 HG13 VAL A 90 48.874 -6.696 11.446 1.00 60.42 H new ATOM 0 HG21 VAL A 90 48.276 -9.672 12.001 1.00 10.11 H new ATOM 0 HG22 VAL A 90 49.315 -8.667 13.040 1.00 10.11 H new ATOM 0 HG23 VAL A 90 47.918 -9.521 13.738 1.00 10.11 H new ATOM 1278 N THR A 91 49.274 -7.022 15.318 1.00 31.42 N ATOM 1279 CA THR A 91 50.631 -6.807 15.805 1.00 53.24 C ATOM 1280 C THR A 91 51.250 -8.108 16.301 1.00 20.22 C ATOM 1281 O THR A 91 50.574 -9.132 16.392 1.00 73.32 O ATOM 1282 CB THR A 91 50.661 -5.770 16.943 1.00 1.22 C ATOM 1283 OG1 THR A 91 49.455 -5.850 17.711 1.00 1.21 O ATOM 1284 CG2 THR A 91 50.823 -4.362 16.389 1.00 22.42 C ATOM 0 H THR A 91 48.687 -7.579 15.939 1.00 31.42 H new ATOM 0 HA THR A 91 51.213 -6.429 14.964 1.00 53.24 H new ATOM 0 HB THR A 91 51.515 -5.992 17.584 1.00 1.22 H new ATOM 0 HG1 THR A 91 49.483 -5.189 18.434 1.00 1.21 H new ATOM 0 HG21 THR A 91 50.841 -3.647 17.212 1.00 22.42 H new ATOM 0 HG22 THR A 91 51.756 -4.296 15.830 1.00 22.42 H new ATOM 0 HG23 THR A 91 49.987 -4.133 15.728 1.00 22.42 H new ATOM 1292 N GLN A 92 52.539 -8.060 16.622 1.00 70.22 N ATOM 1293 CA GLN A 92 53.249 -9.237 17.110 1.00 54.15 C ATOM 1294 C GLN A 92 53.102 -10.403 16.138 1.00 53.15 C ATOM 1295 O GLN A 92 54.083 -10.867 15.556 1.00 73.44 O ATOM 1296 CB GLN A 92 52.725 -9.639 18.489 1.00 1.35 C ATOM 1297 CG GLN A 92 53.826 -9.906 19.503 1.00 34.25 C ATOM 1298 CD GLN A 92 53.313 -10.596 20.753 1.00 43.25 C ATOM 1299 OE1 GLN A 92 53.672 -11.739 21.036 1.00 60.22 O ATOM 1300 NE2 GLN A 92 52.470 -9.903 21.508 1.00 15.40 N ATOM 0 H GLN A 92 53.113 -7.219 16.553 1.00 70.22 H new ATOM 0 HA GLN A 92 54.306 -8.985 17.190 1.00 54.15 H new ATOM 0 HB2 GLN A 92 52.078 -8.848 18.868 1.00 1.35 H new ATOM 0 HB3 GLN A 92 52.110 -10.533 18.389 1.00 1.35 H new ATOM 0 HG2 GLN A 92 54.597 -10.523 19.042 1.00 34.25 H new ATOM 0 HG3 GLN A 92 54.296 -8.963 19.780 1.00 34.25 H new ATOM 0 HE21 GLN A 92 52.200 -8.958 21.235 1.00 15.40 H new ATOM 0 HE22 GLN A 92 52.093 -10.315 22.361 1.00 15.40 H new