USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=27 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 78 SER OG : rot 160:sc= -0.836 USER MOD Set 1.2: A 83 GLN : amide:sc= -0.314 X(o=-1.2,f=-1.4) USER MOD Set 2.1: A 50 THR OG1 : rot 165:sc= -0.24 USER MOD Set 2.2: A 69 ASN : amide:sc= -1.78 X(o=-2,f=-1.7) 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 127:sc= 0.0102 USER MOD Single : A 14 ASN : amide:sc= -0.21 K(o=-0.21,f=-2!) USER MOD Single : A 15 SER OG : rot -22:sc= 0.725 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 24 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.1) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 49:sc= 0.542 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0861 USER MOD Single : A 34 ASN : amide:sc= -0.991 X(o=-0.99,f=-1.2) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0347 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -161:sc= 0.107 USER MOD Single : A 48 SER OG : rot -140:sc= 0.0589 USER MOD Single : A 49 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.4) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.202 K(o=-0.2,f=-3) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 100:sc= 0.496 USER MOD Single : A 62 HIS : no HD1:sc= 0.0154 X(o=0.015,f=-0.48) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 72 ASN : amide:sc= -0.079 X(o=-0.079,f=-0.41) USER MOD Single : A 74 LYS NZ :NH3+ -165:sc= -0.0518 (180deg=-0.272) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 25:sc= 0.0155 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 16.192 -0.358 2.036 1.00 71.04 N ATOM 72 CA VAL A 6 17.253 -1.276 2.430 1.00 23.44 C ATOM 73 C VAL A 6 18.090 -0.694 3.564 1.00 64.32 C ATOM 74 O VAL A 6 18.935 0.173 3.343 1.00 44.21 O ATOM 75 CB VAL A 6 18.177 -1.610 1.244 1.00 71.12 C ATOM 76 CG1 VAL A 6 18.597 -0.340 0.520 1.00 11.21 C ATOM 77 CG2 VAL A 6 19.394 -2.390 1.719 1.00 14.20 C ATOM 0 HA VAL A 6 16.769 -2.191 2.772 1.00 23.44 H new ATOM 0 HB VAL A 6 17.625 -2.235 0.542 1.00 71.12 H new ATOM 0 HG11 VAL A 6 19.249 -0.596 -0.315 1.00 11.21 H new ATOM 0 HG12 VAL A 6 17.712 0.174 0.145 1.00 11.21 H new ATOM 0 HG13 VAL A 6 19.131 0.313 1.211 1.00 11.21 H new ATOM 0 HG21 VAL A 6 20.036 -2.617 0.868 1.00 14.20 H new ATOM 0 HG22 VAL A 6 19.949 -1.793 2.443 1.00 14.20 H new ATOM 0 HG23 VAL A 6 19.070 -3.319 2.188 1.00 14.20 H new ATOM 87 N SER A 7 17.850 -1.178 4.778 1.00 0.23 N ATOM 88 CA SER A 7 18.580 -0.703 5.948 1.00 33.13 C ATOM 89 C SER A 7 19.520 -1.782 6.477 1.00 73.21 C ATOM 90 O SER A 7 19.077 -2.839 6.928 1.00 24.04 O ATOM 91 CB SER A 7 17.603 -0.278 7.047 1.00 62.52 C ATOM 92 OG SER A 7 17.209 1.073 6.885 1.00 44.14 O ATOM 0 H SER A 7 17.156 -1.898 4.977 1.00 0.23 H new ATOM 0 HA SER A 7 19.176 0.159 5.648 1.00 33.13 H new ATOM 0 HB2 SER A 7 16.724 -0.922 7.025 1.00 62.52 H new ATOM 0 HB3 SER A 7 18.070 -0.409 8.023 1.00 62.52 H new ATOM 0 HG SER A 7 16.584 1.319 7.598 1.00 44.14 H new ATOM 98 N ILE A 8 20.818 -1.508 6.417 1.00 4.31 N ATOM 99 CA ILE A 8 21.821 -2.454 6.890 1.00 2.44 C ATOM 100 C ILE A 8 22.601 -1.883 8.070 1.00 65.31 C ATOM 101 O ILE A 8 23.248 -0.842 7.955 1.00 62.34 O ATOM 102 CB ILE A 8 22.809 -2.834 5.772 1.00 40.34 C ATOM 103 CG1 ILE A 8 23.892 -3.768 6.314 1.00 63.44 C ATOM 104 CG2 ILE A 8 23.433 -1.584 5.169 1.00 41.10 C ATOM 105 CD1 ILE A 8 24.212 -4.923 5.390 1.00 51.22 C ATOM 0 H ILE A 8 21.200 -0.638 6.045 1.00 4.31 H new ATOM 0 HA ILE A 8 21.286 -3.348 7.209 1.00 2.44 H new ATOM 0 HB ILE A 8 22.263 -3.358 4.988 1.00 40.34 H new ATOM 0 HG12 ILE A 8 24.801 -3.193 6.492 1.00 63.44 H new ATOM 0 HG13 ILE A 8 23.571 -4.163 7.278 1.00 63.44 H new ATOM 0 HG21 ILE A 8 24.129 -1.869 4.380 1.00 41.10 H new ATOM 0 HG22 ILE A 8 22.650 -0.952 4.751 1.00 41.10 H new ATOM 0 HG23 ILE A 8 23.968 -1.034 5.944 1.00 41.10 H new ATOM 0 HD11 ILE A 8 24.988 -5.543 5.838 1.00 51.22 H new ATOM 0 HD12 ILE A 8 23.315 -5.522 5.232 1.00 51.22 H new ATOM 0 HD13 ILE A 8 24.564 -4.537 4.433 1.00 51.22 H new ATOM 117 N SER A 9 22.537 -2.574 9.204 1.00 4.40 N ATOM 118 CA SER A 9 23.236 -2.135 10.406 1.00 24.13 C ATOM 119 C SER A 9 24.308 -3.143 10.810 1.00 32.41 C ATOM 120 O SER A 9 24.000 -4.250 11.253 1.00 71.24 O ATOM 121 CB SER A 9 22.245 -1.939 11.555 1.00 23.32 C ATOM 122 OG SER A 9 21.898 -0.573 11.702 1.00 20.30 O ATOM 0 H SER A 9 22.009 -3.439 9.315 1.00 4.40 H new ATOM 0 HA SER A 9 23.721 -1.183 10.187 1.00 24.13 H new ATOM 0 HB2 SER A 9 21.347 -2.528 11.369 1.00 23.32 H new ATOM 0 HB3 SER A 9 22.682 -2.308 12.483 1.00 23.32 H new ATOM 0 HG SER A 9 21.262 -0.475 12.441 1.00 20.30 H new ATOM 128 N VAL A 10 25.569 -2.752 10.654 1.00 34.11 N ATOM 129 CA VAL A 10 26.687 -3.620 11.003 1.00 41.01 C ATOM 130 C VAL A 10 27.410 -3.112 12.245 1.00 3.11 C ATOM 131 O VAL A 10 27.688 -1.919 12.370 1.00 32.22 O ATOM 132 CB VAL A 10 27.696 -3.729 9.844 1.00 75.02 C ATOM 133 CG1 VAL A 10 28.326 -2.375 9.555 1.00 30.21 C ATOM 134 CG2 VAL A 10 28.762 -4.766 10.162 1.00 70.12 C ATOM 0 H VAL A 10 25.842 -1.840 10.288 1.00 34.11 H new ATOM 0 HA VAL A 10 26.270 -4.606 11.206 1.00 41.01 H new ATOM 0 HB VAL A 10 27.163 -4.052 8.950 1.00 75.02 H new ATOM 0 HG11 VAL A 10 29.036 -2.472 8.734 1.00 30.21 H new ATOM 0 HG12 VAL A 10 27.548 -1.663 9.280 1.00 30.21 H new ATOM 0 HG13 VAL A 10 28.846 -2.019 10.444 1.00 30.21 H new ATOM 0 HG21 VAL A 10 29.466 -4.830 9.333 1.00 70.12 H new ATOM 0 HG22 VAL A 10 29.294 -4.475 11.068 1.00 70.12 H new ATOM 0 HG23 VAL A 10 28.291 -5.737 10.314 1.00 70.12 H new ATOM 144 N SER A 11 27.714 -4.026 13.162 1.00 55.53 N ATOM 145 CA SER A 11 28.402 -3.670 14.397 1.00 41.21 C ATOM 146 C SER A 11 29.793 -4.294 14.443 1.00 63.54 C ATOM 147 O SER A 11 30.057 -5.232 15.196 1.00 14.45 O ATOM 148 CB SER A 11 27.587 -4.124 15.609 1.00 12.22 C ATOM 149 OG SER A 11 26.409 -3.348 15.752 1.00 65.05 O ATOM 0 H SER A 11 27.494 -5.018 13.072 1.00 55.53 H new ATOM 0 HA SER A 11 28.508 -2.586 14.425 1.00 41.21 H new ATOM 0 HB2 SER A 11 27.322 -5.176 15.500 1.00 12.22 H new ATOM 0 HB3 SER A 11 28.193 -4.040 16.511 1.00 12.22 H new ATOM 0 HG SER A 11 25.905 -3.659 16.533 1.00 65.05 H new ATOM 155 N PRO A 12 30.707 -3.764 13.616 1.00 13.31 N ATOM 156 CA PRO A 12 32.087 -4.252 13.543 1.00 72.42 C ATOM 157 C PRO A 12 32.887 -3.921 14.798 1.00 54.20 C ATOM 158 O PRO A 12 32.572 -2.970 15.515 1.00 41.03 O ATOM 159 CB PRO A 12 32.661 -3.513 12.332 1.00 41.22 C ATOM 160 CG PRO A 12 31.842 -2.273 12.222 1.00 63.12 C ATOM 161 CD PRO A 12 30.463 -2.645 12.690 1.00 74.21 C ATOM 0 HA PRO A 12 32.131 -5.338 13.457 1.00 72.42 H new ATOM 0 HB2 PRO A 12 33.716 -3.279 12.474 1.00 41.22 H new ATOM 0 HB3 PRO A 12 32.588 -4.117 11.428 1.00 41.22 H new ATOM 0 HG2 PRO A 12 32.260 -1.474 12.834 1.00 63.12 H new ATOM 0 HG3 PRO A 12 31.821 -1.909 11.195 1.00 63.12 H new ATOM 0 HD2 PRO A 12 29.969 -1.811 13.189 1.00 74.21 H new ATOM 0 HD3 PRO A 12 29.824 -2.943 11.859 1.00 74.21 H new ATOM 169 N THR A 13 33.924 -4.711 15.059 1.00 13.43 N ATOM 170 CA THR A 13 34.768 -4.501 16.228 1.00 23.34 C ATOM 171 C THR A 13 36.120 -3.918 15.833 1.00 61.42 C ATOM 172 O THR A 13 36.919 -4.576 15.167 1.00 51.41 O ATOM 173 CB THR A 13 34.994 -5.815 17.001 1.00 44.24 C ATOM 174 OG1 THR A 13 34.180 -6.855 16.448 1.00 51.44 O ATOM 175 CG2 THR A 13 34.668 -5.638 18.476 1.00 60.31 C ATOM 0 H THR A 13 34.199 -5.502 14.476 1.00 13.43 H new ATOM 0 HA THR A 13 34.245 -3.794 16.872 1.00 23.34 H new ATOM 0 HB THR A 13 36.045 -6.089 16.908 1.00 44.24 H new ATOM 0 HG1 THR A 13 34.740 -7.632 16.238 1.00 51.44 H new ATOM 0 HG21 THR A 13 34.835 -6.579 19.001 1.00 60.31 H new ATOM 0 HG22 THR A 13 35.310 -4.866 18.901 1.00 60.31 H new ATOM 0 HG23 THR A 13 33.625 -5.342 18.585 1.00 60.31 H new ATOM 183 N ASN A 14 36.370 -2.681 16.248 1.00 1.20 N ATOM 184 CA ASN A 14 37.627 -2.009 15.937 1.00 72.45 C ATOM 185 C ASN A 14 38.677 -2.298 17.005 1.00 40.21 C ATOM 186 O ASN A 14 38.672 -1.690 18.075 1.00 11.32 O ATOM 187 CB ASN A 14 37.406 -0.500 15.816 1.00 25.13 C ATOM 188 CG ASN A 14 36.637 0.067 16.994 1.00 42.54 C ATOM 189 OD1 ASN A 14 35.423 -0.105 17.097 1.00 55.43 O ATOM 190 ND2 ASN A 14 37.343 0.749 17.888 1.00 22.24 N ATOM 0 H ASN A 14 35.719 -2.123 16.801 1.00 1.20 H new ATOM 0 HA ASN A 14 37.990 -2.393 14.984 1.00 72.45 H new ATOM 0 HB2 ASN A 14 38.371 0.001 15.740 1.00 25.13 H new ATOM 0 HB3 ASN A 14 36.863 -0.288 14.895 1.00 25.13 H new ATOM 0 HD21 ASN A 14 36.880 1.155 18.701 1.00 22.24 H new ATOM 0 HD22 ASN A 14 38.348 0.866 17.762 1.00 22.24 H new ATOM 197 N SER A 15 39.577 -3.229 16.706 1.00 20.20 N ATOM 198 CA SER A 15 40.632 -3.601 17.642 1.00 51.14 C ATOM 199 C SER A 15 41.779 -4.299 16.917 1.00 2.34 C ATOM 200 O SER A 15 41.833 -4.319 15.687 1.00 14.22 O ATOM 201 CB SER A 15 40.074 -4.513 18.736 1.00 62.54 C ATOM 202 OG SER A 15 38.955 -3.921 19.372 1.00 24.24 O ATOM 0 H SER A 15 39.597 -3.740 15.823 1.00 20.20 H new ATOM 0 HA SER A 15 41.016 -2.690 18.100 1.00 51.14 H new ATOM 0 HB2 SER A 15 39.786 -5.471 18.303 1.00 62.54 H new ATOM 0 HB3 SER A 15 40.850 -4.717 19.474 1.00 62.54 H new ATOM 0 HG SER A 15 38.983 -2.950 19.246 1.00 24.24 H new ATOM 208 N THR A 16 42.697 -4.871 17.690 1.00 65.11 N ATOM 209 CA THR A 16 43.845 -5.569 17.124 1.00 31.22 C ATOM 210 C THR A 16 43.669 -7.081 17.216 1.00 2.43 C ATOM 211 O THR A 16 43.095 -7.591 18.178 1.00 71.50 O ATOM 212 CB THR A 16 45.152 -5.171 17.836 1.00 34.33 C ATOM 213 OG1 THR A 16 45.208 -5.778 19.132 1.00 71.41 O ATOM 214 CG2 THR A 16 45.254 -3.660 17.974 1.00 42.20 C ATOM 0 H THR A 16 42.668 -4.865 18.710 1.00 65.11 H new ATOM 0 HA THR A 16 43.908 -5.276 16.076 1.00 31.22 H new ATOM 0 HB THR A 16 45.990 -5.523 17.234 1.00 34.33 H new ATOM 0 HG1 THR A 16 46.042 -5.522 19.578 1.00 71.41 H new ATOM 0 HG21 THR A 16 46.185 -3.403 18.480 1.00 42.20 H new ATOM 0 HG22 THR A 16 45.240 -3.203 16.985 1.00 42.20 H new ATOM 0 HG23 THR A 16 44.410 -3.290 18.557 1.00 42.20 H new ATOM 222 N VAL A 17 44.168 -7.792 16.210 1.00 30.24 N ATOM 223 CA VAL A 17 44.068 -9.246 16.179 1.00 34.41 C ATOM 224 C VAL A 17 45.389 -9.880 15.758 1.00 0.51 C ATOM 225 O VAL A 17 46.189 -9.262 15.057 1.00 44.32 O ATOM 226 CB VAL A 17 42.958 -9.712 15.217 1.00 5.20 C ATOM 227 CG1 VAL A 17 43.343 -9.416 13.775 1.00 21.24 C ATOM 228 CG2 VAL A 17 42.675 -11.194 15.409 1.00 60.14 C ATOM 0 H VAL A 17 44.645 -7.385 15.406 1.00 30.24 H new ATOM 0 HA VAL A 17 43.821 -9.567 17.191 1.00 34.41 H new ATOM 0 HB VAL A 17 42.047 -9.159 15.445 1.00 5.20 H new ATOM 0 HG11 VAL A 17 42.548 -9.752 13.110 1.00 21.24 H new ATOM 0 HG12 VAL A 17 43.491 -8.343 13.651 1.00 21.24 H new ATOM 0 HG13 VAL A 17 44.267 -9.941 13.530 1.00 21.24 H new ATOM 0 HG21 VAL A 17 41.889 -11.506 14.722 1.00 60.14 H new ATOM 0 HG22 VAL A 17 43.581 -11.766 15.208 1.00 60.14 H new ATOM 0 HG23 VAL A 17 42.353 -11.373 16.435 1.00 60.14 H new ATOM 238 N ALA A 18 45.611 -11.116 16.191 1.00 34.30 N ATOM 239 CA ALA A 18 46.834 -11.835 15.857 1.00 1.20 C ATOM 240 C ALA A 18 46.864 -12.210 14.379 1.00 23.34 C ATOM 241 O ALA A 18 45.827 -12.487 13.777 1.00 52.22 O ATOM 242 CB ALA A 18 46.968 -13.079 16.723 1.00 45.05 C ATOM 0 H ALA A 18 44.959 -11.641 16.774 1.00 34.30 H new ATOM 0 HA ALA A 18 47.679 -11.176 16.054 1.00 1.20 H new ATOM 0 HB1 ALA A 18 47.886 -13.606 16.463 1.00 45.05 H new ATOM 0 HB2 ALA A 18 47.001 -12.789 17.773 1.00 45.05 H new ATOM 0 HB3 ALA A 18 46.113 -13.734 16.554 1.00 45.05 H new ATOM 248 N LYS A 19 48.060 -12.218 13.800 1.00 51.51 N ATOM 249 CA LYS A 19 48.226 -12.559 12.392 1.00 24.43 C ATOM 250 C LYS A 19 47.547 -13.886 12.071 1.00 75.44 C ATOM 251 O LYS A 19 47.589 -14.825 12.864 1.00 24.43 O ATOM 252 CB LYS A 19 49.713 -12.637 12.037 1.00 0.34 C ATOM 253 CG LYS A 19 50.519 -13.513 12.980 1.00 32.34 C ATOM 254 CD LYS A 19 51.122 -14.704 12.255 1.00 24.55 C ATOM 255 CE LYS A 19 51.274 -15.902 13.181 1.00 1.10 C ATOM 256 NZ LYS A 19 52.423 -15.739 14.115 1.00 74.32 N ATOM 0 H LYS A 19 48.929 -11.992 14.284 1.00 51.51 H new ATOM 0 HA LYS A 19 47.757 -11.776 11.796 1.00 24.43 H new ATOM 0 HB2 LYS A 19 49.816 -13.020 11.022 1.00 0.34 H new ATOM 0 HB3 LYS A 19 50.132 -11.631 12.042 1.00 0.34 H new ATOM 0 HG2 LYS A 19 51.314 -12.923 13.436 1.00 32.34 H new ATOM 0 HG3 LYS A 19 49.878 -13.864 13.789 1.00 32.34 H new ATOM 0 HD2 LYS A 19 50.490 -14.975 11.409 1.00 24.55 H new ATOM 0 HD3 LYS A 19 52.096 -14.430 11.850 1.00 24.55 H new ATOM 0 HE2 LYS A 19 50.357 -16.037 13.754 1.00 1.10 H new ATOM 0 HE3 LYS A 19 51.414 -16.805 12.587 1.00 1.10 H new ATOM 0 HZ1 LYS A 19 52.493 -16.576 14.729 1.00 74.32 H new ATOM 0 HZ2 LYS A 19 53.302 -15.636 13.569 1.00 74.32 H new ATOM 0 HZ3 LYS A 19 52.277 -14.892 14.700 1.00 74.32 H new ATOM 270 N GLY A 20 46.920 -13.957 10.900 1.00 62.12 N ATOM 271 CA GLY A 20 46.242 -15.174 10.494 1.00 54.13 C ATOM 272 C GLY A 20 45.123 -15.558 11.442 1.00 25.32 C ATOM 273 O GLY A 20 45.363 -16.188 12.474 1.00 51.24 O ATOM 0 H GLY A 20 46.870 -13.193 10.226 1.00 62.12 H new ATOM 0 HA2 GLY A 20 45.835 -15.043 9.491 1.00 54.13 H new ATOM 0 HA3 GLY A 20 46.965 -15.988 10.441 1.00 54.13 H new ATOM 277 N LEU A 21 43.899 -15.178 11.095 1.00 32.32 N ATOM 278 CA LEU A 21 42.739 -15.486 11.924 1.00 14.34 C ATOM 279 C LEU A 21 41.450 -15.030 11.248 1.00 13.10 C ATOM 280 O LEU A 21 41.482 -14.290 10.265 1.00 22.11 O ATOM 281 CB LEU A 21 42.874 -14.817 13.293 1.00 12.34 C ATOM 282 CG LEU A 21 42.496 -15.676 14.501 1.00 52.34 C ATOM 283 CD1 LEU A 21 43.615 -15.672 15.530 1.00 2.30 C ATOM 284 CD2 LEU A 21 41.197 -15.182 15.121 1.00 73.14 C ATOM 0 H LEU A 21 43.684 -14.656 10.245 1.00 32.32 H new ATOM 0 HA LEU A 21 42.695 -16.567 12.057 1.00 14.34 H new ATOM 0 HB2 LEU A 21 43.906 -14.489 13.415 1.00 12.34 H new ATOM 0 HB3 LEU A 21 42.252 -13.922 13.300 1.00 12.34 H new ATOM 0 HG LEU A 21 42.347 -16.701 14.161 1.00 52.34 H new ATOM 0 HD11 LEU A 21 43.328 -16.288 16.382 1.00 2.30 H new ATOM 0 HD12 LEU A 21 44.523 -16.074 15.081 1.00 2.30 H new ATOM 0 HD13 LEU A 21 43.797 -14.651 15.866 1.00 2.30 H new ATOM 0 HD21 LEU A 21 40.943 -15.805 15.979 1.00 73.14 H new ATOM 0 HD22 LEU A 21 41.319 -14.149 15.446 1.00 73.14 H new ATOM 0 HD23 LEU A 21 40.397 -15.238 14.383 1.00 73.14 H new ATOM 296 N GLN A 22 40.317 -15.475 11.783 1.00 63.11 N ATOM 297 CA GLN A 22 39.018 -15.111 11.231 1.00 34.12 C ATOM 298 C GLN A 22 38.133 -14.474 12.298 1.00 74.34 C ATOM 299 O GLN A 22 38.103 -14.924 13.442 1.00 24.44 O ATOM 300 CB GLN A 22 38.325 -16.343 10.646 1.00 63.20 C ATOM 301 CG GLN A 22 39.188 -17.116 9.661 1.00 1.24 C ATOM 302 CD GLN A 22 39.486 -18.527 10.128 1.00 13.04 C ATOM 303 OE1 GLN A 22 38.579 -19.280 10.485 1.00 55.44 O ATOM 304 NE2 GLN A 22 40.762 -18.894 10.129 1.00 51.10 N ATOM 0 H GLN A 22 40.273 -16.088 12.597 1.00 63.11 H new ATOM 0 HA GLN A 22 39.180 -14.383 10.436 1.00 34.12 H new ATOM 0 HB2 GLN A 22 38.034 -17.007 11.460 1.00 63.20 H new ATOM 0 HB3 GLN A 22 37.408 -16.031 10.146 1.00 63.20 H new ATOM 0 HG2 GLN A 22 38.684 -17.156 8.696 1.00 1.24 H new ATOM 0 HG3 GLN A 22 40.126 -16.582 9.509 1.00 1.24 H new ATOM 0 HE21 GLN A 22 41.482 -18.238 9.825 1.00 51.10 H new ATOM 0 HE22 GLN A 22 41.023 -19.832 10.434 1.00 51.10 H new ATOM 313 N GLU A 23 37.413 -13.425 11.913 1.00 1.31 N ATOM 314 CA GLU A 23 36.528 -12.726 12.838 1.00 42.12 C ATOM 315 C GLU A 23 35.085 -12.763 12.343 1.00 42.32 C ATOM 316 O GLU A 23 34.821 -12.590 11.154 1.00 64.34 O ATOM 317 CB GLU A 23 36.982 -11.275 13.014 1.00 34.13 C ATOM 318 CG GLU A 23 37.364 -10.926 14.443 1.00 35.40 C ATOM 319 CD GLU A 23 36.157 -10.767 15.347 1.00 33.23 C ATOM 320 OE1 GLU A 23 35.492 -11.785 15.633 1.00 72.22 O ATOM 321 OE2 GLU A 23 35.877 -9.626 15.769 1.00 41.30 O ATOM 0 H GLU A 23 37.425 -13.041 10.968 1.00 1.31 H new ATOM 0 HA GLU A 23 36.576 -13.234 13.801 1.00 42.12 H new ATOM 0 HB2 GLU A 23 37.836 -11.089 12.363 1.00 34.13 H new ATOM 0 HB3 GLU A 23 36.182 -10.611 12.688 1.00 34.13 H new ATOM 0 HG2 GLU A 23 38.012 -11.706 14.843 1.00 35.40 H new ATOM 0 HG3 GLU A 23 37.940 -10.000 14.446 1.00 35.40 H new ATOM 328 N ASN A 24 34.155 -12.989 13.265 1.00 62.32 N ATOM 329 CA ASN A 24 32.739 -13.050 12.923 1.00 73.22 C ATOM 330 C ASN A 24 32.026 -11.762 13.324 1.00 24.10 C ATOM 331 O ASN A 24 32.299 -11.193 14.381 1.00 11.41 O ATOM 332 CB ASN A 24 32.078 -14.247 13.610 1.00 52.12 C ATOM 333 CG ASN A 24 32.185 -14.178 15.121 1.00 43.10 C ATOM 334 OD1 ASN A 24 31.339 -13.583 15.788 1.00 12.10 O ATOM 335 ND2 ASN A 24 33.230 -14.788 15.668 1.00 3.01 N ATOM 0 H ASN A 24 34.357 -13.133 14.254 1.00 62.32 H new ATOM 0 HA ASN A 24 32.657 -13.168 11.843 1.00 73.22 H new ATOM 0 HB2 ASN A 24 31.027 -14.291 13.325 1.00 52.12 H new ATOM 0 HB3 ASN A 24 32.543 -15.167 13.257 1.00 52.12 H new ATOM 0 HD21 ASN A 24 33.356 -14.775 16.680 1.00 3.01 H new ATOM 0 HD22 ASN A 24 33.907 -15.269 15.076 1.00 3.01 H new ATOM 342 N PHE A 25 31.112 -11.308 12.473 1.00 21.30 N ATOM 343 CA PHE A 25 30.360 -10.087 12.738 1.00 23.20 C ATOM 344 C PHE A 25 28.864 -10.317 12.543 1.00 4.52 C ATOM 345 O PHE A 25 28.409 -11.454 12.422 1.00 62.05 O ATOM 346 CB PHE A 25 30.839 -8.959 11.821 1.00 35.52 C ATOM 347 CG PHE A 25 32.328 -8.769 11.832 1.00 3.13 C ATOM 348 CD1 PHE A 25 33.026 -8.731 13.029 1.00 43.14 C ATOM 349 CD2 PHE A 25 33.031 -8.627 10.646 1.00 32.24 C ATOM 350 CE1 PHE A 25 34.397 -8.556 13.042 1.00 24.14 C ATOM 351 CE2 PHE A 25 34.402 -8.453 10.654 1.00 53.50 C ATOM 352 CZ PHE A 25 35.086 -8.416 11.853 1.00 13.34 C ATOM 0 H PHE A 25 30.874 -11.767 11.594 1.00 21.30 H new ATOM 0 HA PHE A 25 30.533 -9.800 13.775 1.00 23.20 H new ATOM 0 HB2 PHE A 25 30.515 -9.168 10.801 1.00 35.52 H new ATOM 0 HB3 PHE A 25 30.360 -8.028 12.123 1.00 35.52 H new ATOM 0 HD1 PHE A 25 32.493 -8.839 13.962 1.00 43.14 H new ATOM 0 HD2 PHE A 25 32.501 -8.653 9.705 1.00 32.24 H new ATOM 0 HE1 PHE A 25 34.929 -8.529 13.981 1.00 24.14 H new ATOM 0 HE2 PHE A 25 34.938 -8.346 9.723 1.00 53.50 H new ATOM 0 HZ PHE A 25 36.157 -8.278 11.861 1.00 13.34 H new ATOM 362 N LYS A 26 28.104 -9.227 12.515 1.00 32.42 N ATOM 363 CA LYS A 26 26.659 -9.307 12.335 1.00 41.13 C ATOM 364 C LYS A 26 26.160 -8.179 11.438 1.00 51.42 C ATOM 365 O LYS A 26 26.419 -7.004 11.700 1.00 74.43 O ATOM 366 CB LYS A 26 25.951 -9.247 13.690 1.00 10.50 C ATOM 367 CG LYS A 26 25.145 -10.493 14.011 1.00 30.22 C ATOM 368 CD LYS A 26 24.333 -10.319 15.284 1.00 74.55 C ATOM 369 CE LYS A 26 22.983 -11.014 15.182 1.00 22.14 C ATOM 370 NZ LYS A 26 21.968 -10.387 16.073 1.00 3.25 N ATOM 0 H LYS A 26 28.465 -8.278 12.615 1.00 32.42 H new ATOM 0 HA LYS A 26 26.430 -10.258 11.855 1.00 41.13 H new ATOM 0 HB2 LYS A 26 26.694 -9.094 14.472 1.00 10.50 H new ATOM 0 HB3 LYS A 26 25.288 -8.382 13.706 1.00 10.50 H new ATOM 0 HG2 LYS A 26 24.477 -10.719 13.180 1.00 30.22 H new ATOM 0 HG3 LYS A 26 25.817 -11.344 14.120 1.00 30.22 H new ATOM 0 HD2 LYS A 26 24.889 -10.723 16.130 1.00 74.55 H new ATOM 0 HD3 LYS A 26 24.183 -9.257 15.479 1.00 74.55 H new ATOM 0 HE2 LYS A 26 22.633 -10.978 14.150 1.00 22.14 H new ATOM 0 HE3 LYS A 26 23.095 -12.066 15.444 1.00 22.14 H new ATOM 0 HZ1 LYS A 26 21.062 -10.889 15.975 1.00 3.25 H new ATOM 0 HZ2 LYS A 26 22.290 -10.444 17.060 1.00 3.25 H new ATOM 0 HZ3 LYS A 26 21.842 -9.389 15.807 1.00 3.25 H new ATOM 384 N ALA A 27 25.442 -8.543 10.380 1.00 4.01 N ATOM 385 CA ALA A 27 24.904 -7.561 9.447 1.00 2.10 C ATOM 386 C ALA A 27 23.490 -7.932 9.014 1.00 20.42 C ATOM 387 O ALA A 27 23.265 -8.998 8.439 1.00 53.43 O ATOM 388 CB ALA A 27 25.813 -7.433 8.234 1.00 41.55 C ATOM 0 H ALA A 27 25.220 -9.511 10.148 1.00 4.01 H new ATOM 0 HA ALA A 27 24.859 -6.599 9.957 1.00 2.10 H new ATOM 0 HB1 ALA A 27 25.399 -6.696 7.545 1.00 41.55 H new ATOM 0 HB2 ALA A 27 26.805 -7.113 8.555 1.00 41.55 H new ATOM 0 HB3 ALA A 27 25.887 -8.398 7.732 1.00 41.55 H new ATOM 394 N THR A 28 22.538 -7.048 9.295 1.00 3.42 N ATOM 395 CA THR A 28 21.146 -7.283 8.937 1.00 75.43 C ATOM 396 C THR A 28 20.654 -6.249 7.930 1.00 63.50 C ATOM 397 O THR A 28 20.357 -5.111 8.289 1.00 23.04 O ATOM 398 CB THR A 28 20.233 -7.250 10.177 1.00 13.50 C ATOM 399 OG1 THR A 28 20.434 -6.030 10.901 1.00 65.53 O ATOM 400 CG2 THR A 28 20.511 -8.437 11.086 1.00 0.13 C ATOM 0 H THR A 28 22.707 -6.161 9.770 1.00 3.42 H new ATOM 0 HA THR A 28 21.099 -8.275 8.487 1.00 75.43 H new ATOM 0 HB THR A 28 19.198 -7.306 9.840 1.00 13.50 H new ATOM 0 HG1 THR A 28 20.402 -5.272 10.280 1.00 65.53 H new ATOM 0 HG21 THR A 28 19.854 -8.392 11.955 1.00 0.13 H new ATOM 0 HG22 THR A 28 20.329 -9.363 10.541 1.00 0.13 H new ATOM 0 HG23 THR A 28 21.550 -8.408 11.415 1.00 0.13 H new ATOM 408 N GLY A 29 20.570 -6.654 6.666 1.00 23.01 N ATOM 409 CA GLY A 29 20.114 -5.750 5.627 1.00 73.13 C ATOM 410 C GLY A 29 18.822 -6.213 4.982 1.00 64.23 C ATOM 411 O GLY A 29 18.815 -7.177 4.216 1.00 73.24 O ATOM 0 H GLY A 29 20.810 -7.592 6.344 1.00 23.01 H new ATOM 0 HA2 GLY A 29 19.969 -4.757 6.052 1.00 73.13 H new ATOM 0 HA3 GLY A 29 20.886 -5.660 4.863 1.00 73.13 H new ATOM 415 N ILE A 30 17.728 -5.527 5.293 1.00 42.21 N ATOM 416 CA ILE A 30 16.426 -5.874 4.738 1.00 33.13 C ATOM 417 C ILE A 30 15.758 -4.660 4.101 1.00 21.21 C ATOM 418 O ILE A 30 15.826 -3.551 4.631 1.00 21.13 O ATOM 419 CB ILE A 30 15.491 -6.453 5.817 1.00 51.12 C ATOM 420 CG1 ILE A 30 16.154 -7.644 6.511 1.00 34.42 C ATOM 421 CG2 ILE A 30 14.162 -6.864 5.201 1.00 70.04 C ATOM 422 CD1 ILE A 30 16.429 -7.411 7.980 1.00 2.01 C ATOM 0 H ILE A 30 17.717 -4.728 5.926 1.00 42.21 H new ATOM 0 HA ILE A 30 16.600 -6.632 3.974 1.00 33.13 H new ATOM 0 HB ILE A 30 15.300 -5.682 6.563 1.00 51.12 H new ATOM 0 HG12 ILE A 30 15.513 -8.519 6.404 1.00 34.42 H new ATOM 0 HG13 ILE A 30 17.092 -7.872 6.006 1.00 34.42 H new ATOM 0 HG21 ILE A 30 13.512 -7.271 5.976 1.00 70.04 H new ATOM 0 HG22 ILE A 30 13.686 -5.994 4.749 1.00 70.04 H new ATOM 0 HG23 ILE A 30 14.334 -7.622 4.437 1.00 70.04 H new ATOM 0 HD11 ILE A 30 16.900 -8.297 8.407 1.00 2.01 H new ATOM 0 HD12 ILE A 30 17.095 -6.556 8.094 1.00 2.01 H new ATOM 0 HD13 ILE A 30 15.491 -7.213 8.499 1.00 2.01 H new ATOM 434 N PHE A 31 15.111 -4.878 2.961 1.00 62.11 N ATOM 435 CA PHE A 31 14.430 -3.802 2.251 1.00 73.01 C ATOM 436 C PHE A 31 12.943 -4.108 2.098 1.00 54.03 C ATOM 437 O PHE A 31 12.556 -5.241 1.808 1.00 10.20 O ATOM 438 CB PHE A 31 15.063 -3.590 0.874 1.00 13.42 C ATOM 439 CG PHE A 31 15.840 -4.777 0.382 1.00 11.02 C ATOM 440 CD1 PHE A 31 17.157 -4.967 0.768 1.00 61.53 C ATOM 441 CD2 PHE A 31 15.253 -5.703 -0.465 1.00 43.13 C ATOM 442 CE1 PHE A 31 17.875 -6.059 0.316 1.00 54.23 C ATOM 443 CE2 PHE A 31 15.966 -6.796 -0.920 1.00 72.52 C ATOM 444 CZ PHE A 31 17.278 -6.975 -0.528 1.00 70.03 C ATOM 0 H PHE A 31 15.044 -5.790 2.509 1.00 62.11 H new ATOM 0 HA PHE A 31 14.537 -2.889 2.837 1.00 73.01 H new ATOM 0 HB2 PHE A 31 14.278 -3.356 0.155 1.00 13.42 H new ATOM 0 HB3 PHE A 31 15.725 -2.725 0.917 1.00 13.42 H new ATOM 0 HD1 PHE A 31 17.628 -4.255 1.429 1.00 61.53 H new ATOM 0 HD2 PHE A 31 14.227 -5.569 -0.773 1.00 43.13 H new ATOM 0 HE1 PHE A 31 18.902 -6.195 0.623 1.00 54.23 H new ATOM 0 HE2 PHE A 31 15.497 -7.510 -1.582 1.00 72.52 H new ATOM 0 HZ PHE A 31 17.836 -7.830 -0.881 1.00 70.03 H new ATOM 454 N THR A 32 12.111 -3.089 2.295 1.00 65.21 N ATOM 455 CA THR A 32 10.667 -3.248 2.181 1.00 42.02 C ATOM 456 C THR A 32 10.277 -3.745 0.794 1.00 74.03 C ATOM 457 O THR A 32 9.204 -4.320 0.609 1.00 14.32 O ATOM 458 CB THR A 32 9.932 -1.924 2.465 1.00 24.42 C ATOM 459 OG1 THR A 32 10.834 -0.822 2.317 1.00 0.12 O ATOM 460 CG2 THR A 32 9.346 -1.922 3.869 1.00 41.21 C ATOM 0 H THR A 32 12.413 -2.145 2.534 1.00 65.21 H new ATOM 0 HA THR A 32 10.370 -3.987 2.926 1.00 42.02 H new ATOM 0 HB THR A 32 9.117 -1.824 1.748 1.00 24.42 H new ATOM 0 HG1 THR A 32 10.359 0.016 2.497 1.00 0.12 H new ATOM 0 HG21 THR A 32 8.832 -0.978 4.047 1.00 41.21 H new ATOM 0 HG22 THR A 32 8.638 -2.745 3.969 1.00 41.21 H new ATOM 0 HG23 THR A 32 10.147 -2.042 4.598 1.00 41.21 H new ATOM 468 N ASP A 33 11.154 -3.521 -0.179 1.00 13.05 N ATOM 469 CA ASP A 33 10.901 -3.948 -1.550 1.00 31.12 C ATOM 470 C ASP A 33 11.195 -5.436 -1.718 1.00 55.44 C ATOM 471 O ASP A 33 11.004 -5.997 -2.796 1.00 72.51 O ATOM 472 CB ASP A 33 11.752 -3.134 -2.525 1.00 51.24 C ATOM 473 CG ASP A 33 11.039 -2.874 -3.838 1.00 21.01 C ATOM 474 OD1 ASP A 33 10.133 -2.015 -3.861 1.00 30.33 O ATOM 475 OD2 ASP A 33 11.387 -3.530 -4.842 1.00 72.13 O ATOM 0 H ASP A 33 12.046 -3.046 -0.043 1.00 13.05 H new ATOM 0 HA ASP A 33 9.847 -3.777 -1.770 1.00 31.12 H new ATOM 0 HB2 ASP A 33 12.017 -2.182 -2.064 1.00 51.24 H new ATOM 0 HB3 ASP A 33 12.684 -3.665 -2.720 1.00 51.24 H new ATOM 480 N ASN A 34 11.661 -6.067 -0.646 1.00 13.12 N ATOM 481 CA ASN A 34 11.982 -7.489 -0.676 1.00 25.14 C ATOM 482 C ASN A 34 12.613 -7.932 0.641 1.00 13.13 C ATOM 483 O ASN A 34 13.830 -7.865 0.812 1.00 30.32 O ATOM 484 CB ASN A 34 12.932 -7.794 -1.836 1.00 74.22 C ATOM 485 CG ASN A 34 12.234 -8.498 -2.984 1.00 31.41 C ATOM 486 OD1 ASN A 34 12.240 -8.018 -4.117 1.00 64.14 O ATOM 487 ND2 ASN A 34 11.627 -9.643 -2.694 1.00 21.51 N ATOM 0 H ASN A 34 11.825 -5.616 0.254 1.00 13.12 H new ATOM 0 HA ASN A 34 11.054 -8.043 -0.819 1.00 25.14 H new ATOM 0 HB2 ASN A 34 13.371 -6.864 -2.197 1.00 74.22 H new ATOM 0 HB3 ASN A 34 13.752 -8.416 -1.477 1.00 74.22 H new ATOM 0 HD21 ASN A 34 11.140 -10.162 -3.425 1.00 21.51 H new ATOM 0 HD22 ASN A 34 11.648 -10.004 -1.740 1.00 21.51 H new ATOM 494 N SER A 35 11.775 -8.385 1.569 1.00 4.41 N ATOM 495 CA SER A 35 12.250 -8.836 2.872 1.00 13.32 C ATOM 496 C SER A 35 13.265 -9.964 2.720 1.00 62.12 C ATOM 497 O SER A 35 12.898 -11.126 2.555 1.00 75.40 O ATOM 498 CB SER A 35 11.074 -9.305 3.732 1.00 43.31 C ATOM 499 OG SER A 35 10.093 -9.955 2.943 1.00 10.10 O ATOM 0 H SER A 35 10.765 -8.449 1.443 1.00 4.41 H new ATOM 0 HA SER A 35 12.739 -7.995 3.364 1.00 13.32 H new ATOM 0 HB2 SER A 35 11.433 -9.985 4.505 1.00 43.31 H new ATOM 0 HB3 SER A 35 10.628 -8.451 4.241 1.00 43.31 H new ATOM 0 HG SER A 35 9.353 -10.247 3.516 1.00 10.10 H new ATOM 505 N ASN A 36 14.545 -9.611 2.776 1.00 23.23 N ATOM 506 CA ASN A 36 15.615 -10.593 2.644 1.00 24.31 C ATOM 507 C ASN A 36 16.828 -10.192 3.478 1.00 44.32 C ATOM 508 O ASN A 36 16.922 -9.059 3.950 1.00 3.12 O ATOM 509 CB ASN A 36 16.019 -10.744 1.176 1.00 72.20 C ATOM 510 CG ASN A 36 15.656 -12.105 0.614 1.00 71.04 C ATOM 511 OD1 ASN A 36 14.506 -12.352 0.250 1.00 41.04 O ATOM 512 ND2 ASN A 36 16.638 -12.996 0.540 1.00 10.14 N ATOM 0 H ASN A 36 14.866 -8.653 2.912 1.00 23.23 H new ATOM 0 HA ASN A 36 15.243 -11.549 3.012 1.00 24.31 H new ATOM 0 HB2 ASN A 36 15.531 -9.968 0.586 1.00 72.20 H new ATOM 0 HB3 ASN A 36 17.094 -10.589 1.080 1.00 72.20 H new ATOM 0 HD21 ASN A 36 16.454 -13.928 0.170 1.00 10.14 H new ATOM 0 HD22 ASN A 36 17.576 -12.748 0.853 1.00 10.14 H new ATOM 519 N SER A 37 17.755 -11.128 3.654 1.00 60.23 N ATOM 520 CA SER A 37 18.961 -10.873 4.433 1.00 61.52 C ATOM 521 C SER A 37 20.036 -10.217 3.571 1.00 32.44 C ATOM 522 O SER A 37 19.948 -10.217 2.343 1.00 1.04 O ATOM 523 CB SER A 37 19.494 -12.178 5.028 1.00 64.12 C ATOM 524 OG SER A 37 18.537 -13.217 4.919 1.00 31.11 O ATOM 0 H SER A 37 17.694 -12.070 3.268 1.00 60.23 H new ATOM 0 HA SER A 37 18.704 -10.191 5.243 1.00 61.52 H new ATOM 0 HB2 SER A 37 20.410 -12.468 4.514 1.00 64.12 H new ATOM 0 HB3 SER A 37 19.751 -12.025 6.076 1.00 64.12 H new ATOM 0 HG SER A 37 18.903 -14.040 5.305 1.00 31.11 H new ATOM 530 N ASP A 38 21.049 -9.659 4.224 1.00 22.54 N ATOM 531 CA ASP A 38 22.143 -9.000 3.520 1.00 73.33 C ATOM 532 C ASP A 38 22.964 -10.010 2.725 1.00 61.53 C ATOM 533 O ASP A 38 23.745 -10.775 3.293 1.00 52.41 O ATOM 534 CB ASP A 38 23.042 -8.259 4.510 1.00 64.02 C ATOM 535 CG ASP A 38 24.399 -7.926 3.921 1.00 3.45 C ATOM 536 OD1 ASP A 38 24.467 -7.647 2.706 1.00 61.23 O ATOM 537 OD2 ASP A 38 25.393 -7.942 4.677 1.00 63.31 O ATOM 0 H ASP A 38 21.136 -9.650 5.240 1.00 22.54 H new ATOM 0 HA ASP A 38 21.713 -8.280 2.824 1.00 73.33 H new ATOM 0 HB2 ASP A 38 22.550 -7.339 4.825 1.00 64.02 H new ATOM 0 HB3 ASP A 38 23.176 -8.870 5.402 1.00 64.02 H new ATOM 542 N ILE A 39 22.782 -10.009 1.409 1.00 54.24 N ATOM 543 CA ILE A 39 23.506 -10.925 0.536 1.00 13.03 C ATOM 544 C ILE A 39 23.148 -10.689 -0.927 1.00 43.22 C ATOM 545 O ILE A 39 24.008 -10.752 -1.807 1.00 21.35 O ATOM 546 CB ILE A 39 23.212 -12.394 0.894 1.00 12.23 C ATOM 547 CG1 ILE A 39 23.932 -13.332 -0.076 1.00 44.01 C ATOM 548 CG2 ILE A 39 21.713 -12.654 0.876 1.00 11.42 C ATOM 549 CD1 ILE A 39 25.433 -13.141 -0.100 1.00 13.15 C ATOM 0 H ILE A 39 22.139 -9.384 0.923 1.00 54.24 H new ATOM 0 HA ILE A 39 24.568 -10.729 0.684 1.00 13.03 H new ATOM 0 HB ILE A 39 23.583 -12.588 1.900 1.00 12.23 H new ATOM 0 HG12 ILE A 39 23.710 -14.364 0.196 1.00 44.01 H new ATOM 0 HG13 ILE A 39 23.538 -13.175 -1.080 1.00 44.01 H new ATOM 0 HG21 ILE A 39 21.521 -13.696 1.131 1.00 11.42 H new ATOM 0 HG22 ILE A 39 21.223 -12.007 1.603 1.00 11.42 H new ATOM 0 HG23 ILE A 39 21.320 -12.446 -0.119 1.00 11.42 H new ATOM 0 HD11 ILE A 39 25.877 -13.839 -0.810 1.00 13.15 H new ATOM 0 HD12 ILE A 39 25.665 -12.120 -0.402 1.00 13.15 H new ATOM 0 HD13 ILE A 39 25.839 -13.326 0.894 1.00 13.15 H new ATOM 561 N THR A 40 21.873 -10.414 -1.182 1.00 52.23 N ATOM 562 CA THR A 40 21.401 -10.167 -2.539 1.00 33.01 C ATOM 563 C THR A 40 22.006 -8.889 -3.108 1.00 11.24 C ATOM 564 O THR A 40 22.428 -8.852 -4.263 1.00 45.54 O ATOM 565 CB THR A 40 19.865 -10.061 -2.589 1.00 12.34 C ATOM 566 OG1 THR A 40 19.274 -11.193 -1.942 1.00 21.44 O ATOM 567 CG2 THR A 40 19.374 -9.979 -4.026 1.00 43.52 C ATOM 0 H THR A 40 21.148 -10.357 -0.466 1.00 52.23 H new ATOM 0 HA THR A 40 21.719 -11.016 -3.143 1.00 33.01 H new ATOM 0 HB THR A 40 19.569 -9.150 -2.068 1.00 12.34 H new ATOM 0 HG1 THR A 40 18.298 -11.117 -1.977 1.00 21.44 H new ATOM 0 HG21 THR A 40 18.287 -9.905 -4.035 1.00 43.52 H new ATOM 0 HG22 THR A 40 19.802 -9.099 -4.507 1.00 43.52 H new ATOM 0 HG23 THR A 40 19.681 -10.874 -4.567 1.00 43.52 H new ATOM 575 N ASP A 41 22.045 -7.843 -2.289 1.00 22.30 N ATOM 576 CA ASP A 41 22.601 -6.563 -2.710 1.00 50.45 C ATOM 577 C ASP A 41 24.096 -6.684 -2.987 1.00 3.20 C ATOM 578 O ASP A 41 24.686 -5.827 -3.644 1.00 44.30 O ATOM 579 CB ASP A 41 22.352 -5.498 -1.641 1.00 40.32 C ATOM 580 CG ASP A 41 21.181 -4.597 -1.983 1.00 5.12 C ATOM 581 OD1 ASP A 41 21.317 -3.776 -2.914 1.00 70.20 O ATOM 582 OD2 ASP A 41 20.130 -4.712 -1.318 1.00 41.23 O ATOM 0 H ASP A 41 21.698 -7.857 -1.330 1.00 22.30 H new ATOM 0 HA ASP A 41 22.102 -6.264 -3.632 1.00 50.45 H new ATOM 0 HB2 ASP A 41 22.165 -5.985 -0.684 1.00 40.32 H new ATOM 0 HB3 ASP A 41 23.250 -4.892 -1.520 1.00 40.32 H new ATOM 587 N GLN A 42 24.702 -7.753 -2.480 1.00 50.30 N ATOM 588 CA GLN A 42 26.129 -7.984 -2.671 1.00 72.13 C ATOM 589 C GLN A 42 26.952 -6.876 -2.022 1.00 72.15 C ATOM 590 O GLN A 42 27.577 -6.069 -2.710 1.00 54.43 O ATOM 591 CB GLN A 42 26.457 -8.073 -4.163 1.00 2.13 C ATOM 592 CG GLN A 42 27.751 -8.814 -4.458 1.00 30.53 C ATOM 593 CD GLN A 42 27.978 -9.024 -5.942 1.00 30.21 C ATOM 594 OE1 GLN A 42 28.792 -8.338 -6.560 1.00 52.43 O ATOM 595 NE2 GLN A 42 27.258 -9.977 -6.522 1.00 70.23 N ATOM 0 H GLN A 42 24.227 -8.472 -1.934 1.00 50.30 H new ATOM 0 HA GLN A 42 26.386 -8.929 -2.193 1.00 72.13 H new ATOM 0 HB2 GLN A 42 25.636 -8.573 -4.678 1.00 2.13 H new ATOM 0 HB3 GLN A 42 26.524 -7.065 -4.573 1.00 2.13 H new ATOM 0 HG2 GLN A 42 28.589 -8.254 -4.042 1.00 30.53 H new ATOM 0 HG3 GLN A 42 27.734 -9.782 -3.956 1.00 30.53 H new ATOM 0 HE21 GLN A 42 26.595 -10.522 -5.971 1.00 70.23 H new ATOM 0 HE22 GLN A 42 27.368 -10.164 -7.519 1.00 70.23 H new ATOM 604 N VAL A 43 26.948 -6.843 -0.694 1.00 35.34 N ATOM 605 CA VAL A 43 27.694 -5.835 0.049 1.00 43.34 C ATOM 606 C VAL A 43 29.154 -5.799 -0.389 1.00 41.24 C ATOM 607 O VAL A 43 29.865 -6.801 -0.303 1.00 41.43 O ATOM 608 CB VAL A 43 27.631 -6.093 1.566 1.00 41.03 C ATOM 609 CG1 VAL A 43 28.103 -7.503 1.888 1.00 44.43 C ATOM 610 CG2 VAL A 43 28.458 -5.060 2.316 1.00 21.25 C ATOM 0 H VAL A 43 26.436 -7.504 -0.110 1.00 35.34 H new ATOM 0 HA VAL A 43 27.228 -4.874 -0.167 1.00 43.34 H new ATOM 0 HB VAL A 43 26.595 -6.000 1.891 1.00 41.03 H new ATOM 0 HG11 VAL A 43 28.052 -7.667 2.964 1.00 44.43 H new ATOM 0 HG12 VAL A 43 27.464 -8.225 1.380 1.00 44.43 H new ATOM 0 HG13 VAL A 43 29.132 -7.628 1.551 1.00 44.43 H new ATOM 0 HG21 VAL A 43 28.402 -5.257 3.387 1.00 21.25 H new ATOM 0 HG22 VAL A 43 29.496 -5.119 1.990 1.00 21.25 H new ATOM 0 HG23 VAL A 43 28.069 -4.063 2.110 1.00 21.25 H new ATOM 620 N THR A 44 29.597 -4.637 -0.860 1.00 12.22 N ATOM 621 CA THR A 44 30.972 -4.469 -1.312 1.00 61.42 C ATOM 622 C THR A 44 31.927 -4.338 -0.131 1.00 62.05 C ATOM 623 O THR A 44 31.744 -3.483 0.735 1.00 33.10 O ATOM 624 CB THR A 44 31.119 -3.232 -2.217 1.00 41.51 C ATOM 625 OG1 THR A 44 30.047 -3.188 -3.165 1.00 50.33 O ATOM 626 CG2 THR A 44 32.451 -3.253 -2.951 1.00 4.10 C ATOM 0 H THR A 44 29.022 -3.798 -0.938 1.00 12.22 H new ATOM 0 HA THR A 44 31.227 -5.361 -1.885 1.00 61.42 H new ATOM 0 HB THR A 44 31.083 -2.343 -1.587 1.00 41.51 H new ATOM 0 HG1 THR A 44 30.147 -2.397 -3.735 1.00 50.33 H new ATOM 0 HG21 THR A 44 32.532 -2.369 -3.584 1.00 4.10 H new ATOM 0 HG22 THR A 44 33.266 -3.256 -2.227 1.00 4.10 H new ATOM 0 HG23 THR A 44 32.512 -4.149 -3.569 1.00 4.10 H new ATOM 634 N TRP A 45 32.946 -5.189 -0.104 1.00 4.11 N ATOM 635 CA TRP A 45 33.931 -5.167 0.972 1.00 45.34 C ATOM 636 C TRP A 45 35.302 -4.752 0.446 1.00 34.53 C ATOM 637 O TRP A 45 35.673 -5.088 -0.678 1.00 71.34 O ATOM 638 CB TRP A 45 34.021 -6.541 1.637 1.00 11.25 C ATOM 639 CG TRP A 45 34.437 -7.631 0.697 1.00 41.23 C ATOM 640 CD1 TRP A 45 35.706 -7.912 0.279 1.00 63.35 C ATOM 641 CD2 TRP A 45 33.581 -8.583 0.056 1.00 20.01 C ATOM 642 NE1 TRP A 45 35.691 -8.982 -0.583 1.00 71.25 N ATOM 643 CE2 TRP A 45 34.399 -9.412 -0.736 1.00 23.44 C ATOM 644 CE3 TRP A 45 32.204 -8.817 0.076 1.00 75.31 C ATOM 645 CZ2 TRP A 45 33.883 -10.456 -1.500 1.00 4.23 C ATOM 646 CZ3 TRP A 45 31.693 -9.853 -0.683 1.00 61.02 C ATOM 647 CH2 TRP A 45 32.531 -10.662 -1.462 1.00 22.34 C ATOM 0 H TRP A 45 33.112 -5.902 -0.814 1.00 4.11 H new ATOM 0 HA TRP A 45 33.609 -4.434 1.712 1.00 45.34 H new ATOM 0 HB2 TRP A 45 34.732 -6.491 2.462 1.00 11.25 H new ATOM 0 HB3 TRP A 45 33.051 -6.793 2.067 1.00 11.25 H new ATOM 0 HD1 TRP A 45 36.591 -7.373 0.581 1.00 63.35 H new ATOM 0 HE1 TRP A 45 36.509 -9.390 -1.036 1.00 71.25 H new ATOM 0 HE3 TRP A 45 31.550 -8.199 0.674 1.00 75.31 H new ATOM 0 HZ2 TRP A 45 34.527 -11.081 -2.101 1.00 4.23 H new ATOM 0 HZ3 TRP A 45 30.630 -10.042 -0.676 1.00 61.02 H new ATOM 0 HH2 TRP A 45 32.101 -11.464 -2.044 1.00 22.34 H new ATOM 658 N ASP A 46 36.049 -4.022 1.267 1.00 53.03 N ATOM 659 CA ASP A 46 37.379 -3.563 0.885 1.00 61.15 C ATOM 660 C ASP A 46 38.387 -3.829 1.999 1.00 74.23 C ATOM 661 O ASP A 46 38.055 -3.749 3.181 1.00 34.43 O ATOM 662 CB ASP A 46 37.351 -2.071 0.551 1.00 11.42 C ATOM 663 CG ASP A 46 36.857 -1.801 -0.857 1.00 24.04 C ATOM 664 OD1 ASP A 46 37.595 -2.116 -1.815 1.00 15.24 O ATOM 665 OD2 ASP A 46 35.734 -1.276 -1.001 1.00 33.14 O ATOM 0 H ASP A 46 35.756 -3.736 2.201 1.00 53.03 H new ATOM 0 HA ASP A 46 37.688 -4.119 0.000 1.00 61.15 H new ATOM 0 HB2 ASP A 46 36.708 -1.554 1.264 1.00 11.42 H new ATOM 0 HB3 ASP A 46 38.353 -1.657 0.667 1.00 11.42 H new ATOM 670 N SER A 47 39.618 -4.147 1.613 1.00 42.25 N ATOM 671 CA SER A 47 40.673 -4.430 2.579 1.00 41.23 C ATOM 672 C SER A 47 41.910 -3.582 2.296 1.00 32.15 C ATOM 673 O SER A 47 42.186 -3.230 1.150 1.00 41.22 O ATOM 674 CB SER A 47 41.040 -5.915 2.545 1.00 40.43 C ATOM 675 OG SER A 47 42.431 -6.092 2.340 1.00 40.42 O ATOM 0 H SER A 47 39.910 -4.215 0.638 1.00 42.25 H new ATOM 0 HA SER A 47 40.300 -4.178 3.572 1.00 41.23 H new ATOM 0 HB2 SER A 47 40.744 -6.387 3.482 1.00 40.43 H new ATOM 0 HB3 SER A 47 40.486 -6.412 1.749 1.00 40.43 H new ATOM 0 HG SER A 47 42.602 -7.004 2.025 1.00 40.42 H new ATOM 681 N SER A 48 42.651 -3.258 3.351 1.00 33.14 N ATOM 682 CA SER A 48 43.856 -2.448 3.219 1.00 23.51 C ATOM 683 C SER A 48 44.813 -3.061 2.200 1.00 13.41 C ATOM 684 O SER A 48 44.579 -4.157 1.694 1.00 72.11 O ATOM 685 CB SER A 48 44.555 -2.311 4.573 1.00 21.42 C ATOM 686 OG SER A 48 44.860 -0.957 4.855 1.00 43.52 O ATOM 0 H SER A 48 42.438 -3.544 4.307 1.00 33.14 H new ATOM 0 HA SER A 48 43.563 -1.459 2.868 1.00 23.51 H new ATOM 0 HB2 SER A 48 43.915 -2.714 5.358 1.00 21.42 H new ATOM 0 HB3 SER A 48 45.471 -2.901 4.574 1.00 21.42 H new ATOM 0 HG SER A 48 45.745 -0.901 5.273 1.00 43.52 H new ATOM 692 N ASN A 49 45.891 -2.342 1.905 1.00 63.44 N ATOM 693 CA ASN A 49 46.884 -2.814 0.946 1.00 50.54 C ATOM 694 C ASN A 49 48.256 -2.941 1.601 1.00 52.11 C ATOM 695 O ASN A 49 49.210 -2.270 1.206 1.00 1.12 O ATOM 696 CB ASN A 49 46.963 -1.860 -0.248 1.00 42.31 C ATOM 697 CG ASN A 49 47.816 -2.412 -1.374 1.00 4.13 C ATOM 698 OD1 ASN A 49 48.112 -3.606 -1.415 1.00 24.13 O ATOM 699 ND2 ASN A 49 48.216 -1.542 -2.294 1.00 62.11 N ATOM 0 H ASN A 49 46.099 -1.432 2.315 1.00 63.44 H new ATOM 0 HA ASN A 49 46.576 -3.799 0.596 1.00 50.54 H new ATOM 0 HB2 ASN A 49 45.957 -1.664 -0.620 1.00 42.31 H new ATOM 0 HB3 ASN A 49 47.373 -0.905 0.080 1.00 42.31 H new ATOM 0 HD21 ASN A 49 48.793 -1.855 -3.075 1.00 62.11 H new ATOM 0 HD22 ASN A 49 47.946 -0.561 -2.220 1.00 62.11 H new ATOM 706 N THR A 50 48.348 -3.808 2.605 1.00 40.41 N ATOM 707 CA THR A 50 49.602 -4.023 3.316 1.00 71.33 C ATOM 708 C THR A 50 50.255 -5.335 2.894 1.00 53.55 C ATOM 709 O THR A 50 51.250 -5.338 2.168 1.00 33.34 O ATOM 710 CB THR A 50 49.388 -4.037 4.841 1.00 33.40 C ATOM 711 OG1 THR A 50 48.313 -4.922 5.177 1.00 53.34 O ATOM 712 CG2 THR A 50 49.081 -2.640 5.357 1.00 3.34 C ATOM 0 H THR A 50 47.569 -4.372 2.944 1.00 40.41 H new ATOM 0 HA THR A 50 50.259 -3.193 3.056 1.00 71.33 H new ATOM 0 HB THR A 50 50.307 -4.387 5.311 1.00 33.40 H new ATOM 0 HG1 THR A 50 48.334 -5.112 6.138 1.00 53.34 H new ATOM 0 HG21 THR A 50 48.934 -2.675 6.436 1.00 3.34 H new ATOM 0 HG22 THR A 50 49.914 -1.976 5.126 1.00 3.34 H new ATOM 0 HG23 THR A 50 48.175 -2.267 4.879 1.00 3.34 H new ATOM 720 N ASP A 51 49.689 -6.446 3.351 1.00 54.22 N ATOM 721 CA ASP A 51 50.215 -7.765 3.019 1.00 41.43 C ATOM 722 C ASP A 51 49.164 -8.604 2.300 1.00 73.22 C ATOM 723 O ASP A 51 49.354 -9.005 1.151 1.00 4.12 O ATOM 724 CB ASP A 51 50.682 -8.484 4.285 1.00 63.53 C ATOM 725 CG ASP A 51 51.910 -9.340 4.044 1.00 23.34 C ATOM 726 OD1 ASP A 51 52.918 -8.803 3.541 1.00 43.44 O ATOM 727 OD2 ASP A 51 51.863 -10.548 4.359 1.00 22.13 O ATOM 0 H ASP A 51 48.866 -6.460 3.953 1.00 54.22 H new ATOM 0 HA ASP A 51 51.066 -7.632 2.351 1.00 41.43 H new ATOM 0 HB2 ASP A 51 50.902 -7.747 5.058 1.00 63.53 H new ATOM 0 HB3 ASP A 51 49.874 -9.111 4.663 1.00 63.53 H new ATOM 732 N ILE A 52 48.055 -8.867 2.984 1.00 63.33 N ATOM 733 CA ILE A 52 46.974 -9.659 2.410 1.00 22.12 C ATOM 734 C ILE A 52 45.777 -9.720 3.353 1.00 41.41 C ATOM 735 O ILE A 52 45.879 -10.224 4.472 1.00 1.11 O ATOM 736 CB ILE A 52 47.435 -11.094 2.091 1.00 1.42 C ATOM 737 CG1 ILE A 52 46.261 -11.927 1.573 1.00 12.44 C ATOM 738 CG2 ILE A 52 48.047 -11.740 3.325 1.00 31.10 C ATOM 739 CD1 ILE A 52 45.606 -11.346 0.340 1.00 55.02 C ATOM 0 H ILE A 52 47.882 -8.543 3.936 1.00 63.33 H new ATOM 0 HA ILE A 52 46.680 -9.166 1.483 1.00 22.12 H new ATOM 0 HB ILE A 52 48.196 -11.051 1.312 1.00 1.42 H new ATOM 0 HG12 ILE A 52 46.612 -12.934 1.348 1.00 12.44 H new ATOM 0 HG13 ILE A 52 45.515 -12.019 2.362 1.00 12.44 H new ATOM 0 HG21 ILE A 52 48.368 -12.753 3.084 1.00 31.10 H new ATOM 0 HG22 ILE A 52 48.907 -11.156 3.653 1.00 31.10 H new ATOM 0 HG23 ILE A 52 47.306 -11.774 4.123 1.00 31.10 H new ATOM 0 HD11 ILE A 52 44.782 -11.988 0.029 1.00 55.02 H new ATOM 0 HD12 ILE A 52 45.224 -10.350 0.566 1.00 55.02 H new ATOM 0 HD13 ILE A 52 46.339 -11.280 -0.464 1.00 55.02 H new ATOM 751 N LEU A 53 44.643 -9.204 2.893 1.00 35.00 N ATOM 752 CA LEU A 53 43.423 -9.201 3.694 1.00 5.33 C ATOM 753 C LEU A 53 42.195 -9.427 2.818 1.00 4.24 C ATOM 754 O LEU A 53 41.991 -8.727 1.826 1.00 31.33 O ATOM 755 CB LEU A 53 43.289 -7.877 4.449 1.00 42.22 C ATOM 756 CG LEU A 53 43.373 -7.962 5.973 1.00 12.52 C ATOM 757 CD1 LEU A 53 44.814 -7.819 6.437 1.00 11.35 C ATOM 758 CD2 LEU A 53 42.496 -6.897 6.615 1.00 13.34 C ATOM 0 H LEU A 53 44.542 -8.782 1.970 1.00 35.00 H new ATOM 0 HA LEU A 53 43.488 -10.018 4.413 1.00 5.33 H new ATOM 0 HB2 LEU A 53 44.070 -7.202 4.099 1.00 42.22 H new ATOM 0 HB3 LEU A 53 42.334 -7.425 4.182 1.00 42.22 H new ATOM 0 HG LEU A 53 43.008 -8.941 6.284 1.00 12.52 H new ATOM 0 HD11 LEU A 53 44.854 -7.882 7.524 1.00 11.35 H new ATOM 0 HD12 LEU A 53 45.416 -8.618 6.005 1.00 11.35 H new ATOM 0 HD13 LEU A 53 45.206 -6.854 6.115 1.00 11.35 H new ATOM 0 HD21 LEU A 53 42.568 -6.972 7.700 1.00 13.34 H new ATOM 0 HD22 LEU A 53 42.831 -5.910 6.297 1.00 13.34 H new ATOM 0 HD23 LEU A 53 41.460 -7.045 6.309 1.00 13.34 H new ATOM 770 N SER A 54 41.380 -10.407 3.193 1.00 32.13 N ATOM 771 CA SER A 54 40.172 -10.727 2.441 1.00 42.50 C ATOM 772 C SER A 54 39.000 -10.989 3.381 1.00 32.04 C ATOM 773 O SER A 54 39.042 -11.906 4.202 1.00 74.43 O ATOM 774 CB SER A 54 40.409 -11.947 1.550 1.00 70.23 C ATOM 775 OG SER A 54 41.236 -12.899 2.197 1.00 0.41 O ATOM 0 H SER A 54 41.534 -10.994 4.013 1.00 32.13 H new ATOM 0 HA SER A 54 39.927 -9.870 1.814 1.00 42.50 H new ATOM 0 HB2 SER A 54 39.454 -12.405 1.294 1.00 70.23 H new ATOM 0 HB3 SER A 54 40.873 -11.633 0.615 1.00 70.23 H new ATOM 0 HG SER A 54 41.371 -13.670 1.607 1.00 0.41 H new ATOM 781 N ILE A 55 37.956 -10.177 3.256 1.00 75.13 N ATOM 782 CA ILE A 55 36.771 -10.322 4.093 1.00 41.41 C ATOM 783 C ILE A 55 35.541 -10.651 3.253 1.00 25.25 C ATOM 784 O ILE A 55 35.240 -9.962 2.279 1.00 74.51 O ATOM 785 CB ILE A 55 36.496 -9.042 4.905 1.00 24.21 C ATOM 786 CG1 ILE A 55 35.225 -9.205 5.740 1.00 33.31 C ATOM 787 CG2 ILE A 55 36.378 -7.842 3.978 1.00 13.42 C ATOM 788 CD1 ILE A 55 35.018 -8.097 6.749 1.00 71.22 C ATOM 0 H ILE A 55 37.906 -9.412 2.583 1.00 75.13 H new ATOM 0 HA ILE A 55 36.969 -11.144 4.781 1.00 41.41 H new ATOM 0 HB ILE A 55 37.333 -8.872 5.582 1.00 24.21 H new ATOM 0 HG12 ILE A 55 34.364 -9.243 5.073 1.00 33.31 H new ATOM 0 HG13 ILE A 55 35.264 -10.160 6.264 1.00 33.31 H new ATOM 0 HG21 ILE A 55 36.184 -6.945 4.567 1.00 13.42 H new ATOM 0 HG22 ILE A 55 37.308 -7.718 3.424 1.00 13.42 H new ATOM 0 HG23 ILE A 55 35.557 -8.002 3.279 1.00 13.42 H new ATOM 0 HD11 ILE A 55 34.098 -8.278 7.305 1.00 71.22 H new ATOM 0 HD12 ILE A 55 35.861 -8.072 7.440 1.00 71.22 H new ATOM 0 HD13 ILE A 55 34.946 -7.141 6.230 1.00 71.22 H new ATOM 800 N SER A 56 34.834 -11.708 3.640 1.00 61.23 N ATOM 801 CA SER A 56 33.637 -12.131 2.922 1.00 64.04 C ATOM 802 C SER A 56 32.436 -12.197 3.860 1.00 70.24 C ATOM 803 O SER A 56 32.506 -12.792 4.934 1.00 31.01 O ATOM 804 CB SER A 56 33.864 -13.496 2.268 1.00 5.42 C ATOM 805 OG SER A 56 34.018 -13.370 0.865 1.00 2.11 O ATOM 0 H SER A 56 35.069 -12.287 4.446 1.00 61.23 H new ATOM 0 HA SER A 56 33.430 -11.394 2.146 1.00 64.04 H new ATOM 0 HB2 SER A 56 34.752 -13.964 2.694 1.00 5.42 H new ATOM 0 HB3 SER A 56 33.022 -14.152 2.487 1.00 5.42 H new ATOM 0 HG SER A 56 34.163 -14.255 0.471 1.00 2.11 H new ATOM 811 N ASN A 57 31.334 -11.581 3.444 1.00 61.21 N ATOM 812 CA ASN A 57 30.116 -11.569 4.246 1.00 3.03 C ATOM 813 C ASN A 57 29.206 -12.735 3.872 1.00 43.22 C ATOM 814 O ASN A 57 28.774 -12.855 2.726 1.00 42.12 O ATOM 815 CB ASN A 57 29.371 -10.246 4.060 1.00 4.41 C ATOM 816 CG ASN A 57 30.314 -9.075 3.860 1.00 40.34 C ATOM 817 OD1 ASN A 57 30.924 -8.929 2.800 1.00 11.22 O ATOM 818 ND2 ASN A 57 30.438 -8.233 4.880 1.00 74.44 N ATOM 0 H ASN A 57 31.260 -11.084 2.556 1.00 61.21 H new ATOM 0 HA ASN A 57 30.400 -11.675 5.293 1.00 3.03 H new ATOM 0 HB2 ASN A 57 28.706 -10.324 3.200 1.00 4.41 H new ATOM 0 HB3 ASN A 57 28.744 -10.059 4.932 1.00 4.41 H new ATOM 0 HD21 ASN A 57 31.058 -7.427 4.803 1.00 74.44 H new ATOM 0 HD22 ASN A 57 29.913 -8.393 5.740 1.00 74.44 H new ATOM 825 N ALA A 58 28.919 -13.591 4.847 1.00 60.02 N ATOM 826 CA ALA A 58 28.059 -14.746 4.621 1.00 55.53 C ATOM 827 C ALA A 58 26.746 -14.332 3.964 1.00 11.30 C ATOM 828 O ALA A 58 26.417 -13.147 3.905 1.00 32.00 O ATOM 829 CB ALA A 58 27.790 -15.468 5.932 1.00 32.53 C ATOM 0 H ALA A 58 29.270 -13.506 5.801 1.00 60.02 H new ATOM 0 HA ALA A 58 28.576 -15.426 3.944 1.00 55.53 H new ATOM 0 HB1 ALA A 58 27.146 -16.328 5.748 1.00 32.53 H new ATOM 0 HB2 ALA A 58 28.733 -15.806 6.362 1.00 32.53 H new ATOM 0 HB3 ALA A 58 27.297 -14.788 6.627 1.00 32.53 H new ATOM 835 N SER A 59 26.000 -15.315 3.471 1.00 22.40 N ATOM 836 CA SER A 59 24.725 -15.052 2.814 1.00 21.52 C ATOM 837 C SER A 59 23.623 -14.818 3.842 1.00 14.23 C ATOM 838 O SER A 59 22.628 -14.149 3.561 1.00 61.04 O ATOM 839 CB SER A 59 24.347 -16.221 1.902 1.00 51.12 C ATOM 840 OG SER A 59 24.369 -17.448 2.609 1.00 30.44 O ATOM 0 H SER A 59 26.257 -16.301 3.514 1.00 22.40 H new ATOM 0 HA SER A 59 24.834 -14.150 2.211 1.00 21.52 H new ATOM 0 HB2 SER A 59 23.353 -16.055 1.486 1.00 51.12 H new ATOM 0 HB3 SER A 59 25.040 -16.269 1.062 1.00 51.12 H new ATOM 0 HG SER A 59 24.122 -18.179 2.004 1.00 30.44 H new ATOM 846 N ASP A 60 23.807 -15.373 5.035 1.00 0.20 N ATOM 847 CA ASP A 60 22.830 -15.224 6.107 1.00 75.00 C ATOM 848 C ASP A 60 22.846 -13.804 6.664 1.00 53.11 C ATOM 849 O ASP A 60 21.843 -13.092 6.606 1.00 31.42 O ATOM 850 CB ASP A 60 23.112 -16.227 7.226 1.00 33.43 C ATOM 851 CG ASP A 60 22.305 -17.502 7.078 1.00 61.41 C ATOM 852 OD1 ASP A 60 22.566 -18.261 6.121 1.00 52.22 O ATOM 853 OD2 ASP A 60 21.412 -17.741 7.918 1.00 24.52 O ATOM 0 H ASP A 60 24.624 -15.930 5.284 1.00 0.20 H new ATOM 0 HA ASP A 60 21.841 -15.421 5.693 1.00 75.00 H new ATOM 0 HB2 ASP A 60 24.174 -16.471 7.232 1.00 33.43 H new ATOM 0 HB3 ASP A 60 22.886 -15.767 8.188 1.00 33.43 H new ATOM 858 N SER A 61 23.991 -13.399 7.204 1.00 54.50 N ATOM 859 CA SER A 61 24.136 -12.065 7.776 1.00 30.11 C ATOM 860 C SER A 61 25.547 -11.858 8.319 1.00 53.21 C ATOM 861 O SER A 61 26.281 -10.984 7.855 1.00 33.51 O ATOM 862 CB SER A 61 23.111 -11.851 8.892 1.00 64.31 C ATOM 863 OG SER A 61 23.676 -11.127 9.971 1.00 42.11 O ATOM 0 H SER A 61 24.831 -13.975 7.258 1.00 54.50 H new ATOM 0 HA SER A 61 23.959 -11.336 6.985 1.00 30.11 H new ATOM 0 HB2 SER A 61 22.249 -11.312 8.500 1.00 64.31 H new ATOM 0 HB3 SER A 61 22.749 -12.816 9.247 1.00 64.31 H new ATOM 0 HG SER A 61 23.404 -10.187 9.912 1.00 42.11 H new ATOM 869 N HIS A 62 25.919 -12.667 9.305 1.00 24.31 N ATOM 870 CA HIS A 62 27.242 -12.574 9.912 1.00 25.01 C ATOM 871 C HIS A 62 28.333 -12.609 8.846 1.00 41.43 C ATOM 872 O HIS A 62 28.275 -13.406 7.910 1.00 4.53 O ATOM 873 CB HIS A 62 27.451 -13.715 10.909 1.00 41.33 C ATOM 874 CG HIS A 62 27.316 -15.076 10.298 1.00 3.41 C ATOM 875 ND1 HIS A 62 26.101 -15.702 10.117 1.00 64.13 N ATOM 876 CD2 HIS A 62 28.253 -15.930 9.825 1.00 60.35 C ATOM 877 CE1 HIS A 62 26.297 -16.884 9.560 1.00 53.14 C ATOM 878 NE2 HIS A 62 27.594 -17.047 9.371 1.00 10.54 N ATOM 0 H HIS A 62 25.323 -13.394 9.701 1.00 24.31 H new ATOM 0 HA HIS A 62 27.305 -11.623 10.441 1.00 25.01 H new ATOM 0 HB2 HIS A 62 28.442 -13.622 11.353 1.00 41.33 H new ATOM 0 HB3 HIS A 62 26.728 -13.616 11.719 1.00 41.33 H new ATOM 0 HD2 HIS A 62 29.320 -15.764 9.808 1.00 60.35 H new ATOM 0 HE1 HIS A 62 25.527 -17.596 9.303 1.00 53.14 H new ATOM 0 HE2 HIS A 62 28.034 -17.868 8.956 1.00 10.54 H new ATOM 886 N GLY A 63 29.327 -11.737 8.993 1.00 34.34 N ATOM 887 CA GLY A 63 30.415 -11.684 8.035 1.00 24.34 C ATOM 888 C GLY A 63 31.711 -12.233 8.599 1.00 1.33 C ATOM 889 O GLY A 63 32.022 -12.027 9.773 1.00 22.34 O ATOM 0 H GLY A 63 29.397 -11.067 9.759 1.00 34.34 H new ATOM 0 HA2 GLY A 63 30.140 -12.251 7.146 1.00 24.34 H new ATOM 0 HA3 GLY A 63 30.568 -10.652 7.720 1.00 24.34 H new ATOM 893 N LEU A 64 32.469 -12.934 7.763 1.00 54.30 N ATOM 894 CA LEU A 64 33.738 -13.515 8.185 1.00 20.51 C ATOM 895 C LEU A 64 34.912 -12.799 7.525 1.00 13.32 C ATOM 896 O LEU A 64 35.062 -12.827 6.304 1.00 21.32 O ATOM 897 CB LEU A 64 33.778 -15.006 7.842 1.00 12.32 C ATOM 898 CG LEU A 64 33.387 -15.376 6.411 1.00 42.32 C ATOM 899 CD1 LEU A 64 34.097 -16.649 5.976 1.00 14.21 C ATOM 900 CD2 LEU A 64 31.879 -15.537 6.295 1.00 74.35 C ATOM 0 H LEU A 64 32.226 -13.114 6.789 1.00 54.30 H new ATOM 0 HA LEU A 64 33.823 -13.394 9.265 1.00 20.51 H new ATOM 0 HB2 LEU A 64 34.787 -15.374 8.028 1.00 12.32 H new ATOM 0 HB3 LEU A 64 33.114 -15.534 8.527 1.00 12.32 H new ATOM 0 HG LEU A 64 33.697 -14.568 5.749 1.00 42.32 H new ATOM 0 HD11 LEU A 64 33.807 -16.897 4.955 1.00 14.21 H new ATOM 0 HD12 LEU A 64 35.175 -16.497 6.020 1.00 14.21 H new ATOM 0 HD13 LEU A 64 33.818 -17.466 6.641 1.00 14.21 H new ATOM 0 HD21 LEU A 64 31.619 -15.800 5.270 1.00 74.35 H new ATOM 0 HD22 LEU A 64 31.544 -16.326 6.968 1.00 74.35 H new ATOM 0 HD23 LEU A 64 31.391 -14.600 6.564 1.00 74.35 H new ATOM 912 N ALA A 65 35.742 -12.158 8.342 1.00 71.22 N ATOM 913 CA ALA A 65 36.905 -11.438 7.838 1.00 54.22 C ATOM 914 C ALA A 65 38.193 -12.196 8.139 1.00 40.10 C ATOM 915 O ALA A 65 38.467 -12.542 9.288 1.00 11.42 O ATOM 916 CB ALA A 65 36.960 -10.040 8.437 1.00 71.32 C ATOM 0 H ALA A 65 35.630 -12.123 9.355 1.00 71.22 H new ATOM 0 HA ALA A 65 36.809 -11.354 6.755 1.00 54.22 H new ATOM 0 HB1 ALA A 65 37.833 -9.513 8.052 1.00 71.32 H new ATOM 0 HB2 ALA A 65 36.057 -9.492 8.166 1.00 71.32 H new ATOM 0 HB3 ALA A 65 37.029 -10.112 9.522 1.00 71.32 H new ATOM 922 N SER A 66 38.980 -12.452 7.099 1.00 5.31 N ATOM 923 CA SER A 66 40.238 -13.173 7.252 1.00 24.22 C ATOM 924 C SER A 66 41.427 -12.261 6.965 1.00 54.54 C ATOM 925 O SER A 66 41.573 -11.742 5.857 1.00 3.23 O ATOM 926 CB SER A 66 40.273 -14.384 6.318 1.00 61.22 C ATOM 927 OG SER A 66 41.578 -14.930 6.239 1.00 64.11 O ATOM 0 H SER A 66 38.769 -12.171 6.142 1.00 5.31 H new ATOM 0 HA SER A 66 40.307 -13.516 8.284 1.00 24.22 H new ATOM 0 HB2 SER A 66 39.579 -15.144 6.677 1.00 61.22 H new ATOM 0 HB3 SER A 66 39.938 -14.090 5.323 1.00 61.22 H new ATOM 0 HG SER A 66 41.573 -15.703 5.637 1.00 64.11 H new ATOM 933 N THR A 67 42.274 -12.068 7.971 1.00 62.13 N ATOM 934 CA THR A 67 43.449 -11.218 7.828 1.00 2.32 C ATOM 935 C THR A 67 44.733 -12.016 8.025 1.00 12.15 C ATOM 936 O THR A 67 44.760 -12.991 8.777 1.00 22.42 O ATOM 937 CB THR A 67 43.424 -10.051 8.834 1.00 73.31 C ATOM 938 OG1 THR A 67 43.647 -10.543 10.160 1.00 11.11 O ATOM 939 CG2 THR A 67 42.093 -9.317 8.777 1.00 13.21 C ATOM 0 H THR A 67 42.168 -12.489 8.894 1.00 62.13 H new ATOM 0 HA THR A 67 43.426 -10.816 6.815 1.00 2.32 H new ATOM 0 HB THR A 67 44.218 -9.353 8.568 1.00 73.31 H new ATOM 0 HG1 THR A 67 43.631 -9.795 10.793 1.00 11.11 H new ATOM 0 HG21 THR A 67 42.098 -8.497 9.496 1.00 13.21 H new ATOM 0 HG22 THR A 67 41.940 -8.919 7.774 1.00 13.21 H new ATOM 0 HG23 THR A 67 41.286 -10.008 9.021 1.00 13.21 H new ATOM 947 N LEU A 68 45.795 -11.596 7.347 1.00 20.11 N ATOM 948 CA LEU A 68 47.084 -12.272 7.449 1.00 72.14 C ATOM 949 C LEU A 68 48.223 -11.332 7.070 1.00 43.44 C ATOM 950 O LEU A 68 49.115 -11.698 6.306 1.00 44.11 O ATOM 951 CB LEU A 68 47.106 -13.508 6.547 1.00 1.14 C ATOM 952 CG LEU A 68 48.265 -14.480 6.771 1.00 73.55 C ATOM 953 CD1 LEU A 68 47.751 -15.810 7.300 1.00 30.15 C ATOM 954 CD2 LEU A 68 49.046 -14.684 5.481 1.00 71.34 C ATOM 0 H LEU A 68 45.789 -10.791 6.721 1.00 20.11 H new ATOM 0 HA LEU A 68 47.223 -12.582 8.485 1.00 72.14 H new ATOM 0 HB2 LEU A 68 46.171 -14.051 6.685 1.00 1.14 H new ATOM 0 HB3 LEU A 68 47.132 -13.176 5.509 1.00 1.14 H new ATOM 0 HG LEU A 68 48.936 -14.051 7.515 1.00 73.55 H new ATOM 0 HD11 LEU A 68 48.590 -16.489 7.453 1.00 30.15 H new ATOM 0 HD12 LEU A 68 47.236 -15.650 8.247 1.00 30.15 H new ATOM 0 HD13 LEU A 68 47.059 -16.245 6.579 1.00 30.15 H new ATOM 0 HD21 LEU A 68 49.867 -15.379 5.659 1.00 71.34 H new ATOM 0 HD22 LEU A 68 48.385 -15.092 4.716 1.00 71.34 H new ATOM 0 HD23 LEU A 68 49.446 -13.728 5.143 1.00 71.34 H new ATOM 966 N ASN A 69 48.187 -10.118 7.611 1.00 61.22 N ATOM 967 CA ASN A 69 49.218 -9.125 7.331 1.00 71.34 C ATOM 968 C ASN A 69 50.010 -8.793 8.591 1.00 1.14 C ATOM 969 O ASN A 69 49.683 -9.260 9.682 1.00 1.31 O ATOM 970 CB ASN A 69 48.588 -7.853 6.760 1.00 1.13 C ATOM 971 CG ASN A 69 48.090 -6.918 7.845 1.00 3.33 C ATOM 972 OD1 ASN A 69 48.660 -5.849 8.069 1.00 31.50 O ATOM 973 ND2 ASN A 69 47.022 -7.317 8.526 1.00 52.44 N ATOM 0 H ASN A 69 47.455 -9.799 8.246 1.00 61.22 H new ATOM 0 HA ASN A 69 49.902 -9.546 6.594 1.00 71.34 H new ATOM 0 HB2 ASN A 69 49.321 -7.333 6.144 1.00 1.13 H new ATOM 0 HB3 ASN A 69 47.758 -8.123 6.108 1.00 1.13 H new ATOM 0 HD21 ASN A 69 46.642 -6.730 9.269 1.00 52.44 H new ATOM 0 HD22 ASN A 69 46.582 -8.210 8.306 1.00 52.44 H new ATOM 980 N GLN A 70 51.052 -7.983 8.433 1.00 60.23 N ATOM 981 CA GLN A 70 51.891 -7.589 9.558 1.00 14.44 C ATOM 982 C GLN A 70 51.941 -6.070 9.694 1.00 61.33 C ATOM 983 O GLN A 70 52.812 -5.415 9.123 1.00 54.23 O ATOM 984 CB GLN A 70 53.305 -8.145 9.387 1.00 3.43 C ATOM 985 CG GLN A 70 53.883 -7.921 7.999 1.00 71.31 C ATOM 986 CD GLN A 70 55.276 -7.325 8.035 1.00 22.04 C ATOM 987 OE1 GLN A 70 56.139 -7.780 8.786 1.00 24.42 O ATOM 988 NE2 GLN A 70 55.503 -6.300 7.222 1.00 22.12 N ATOM 0 H GLN A 70 51.335 -7.587 7.537 1.00 60.23 H new ATOM 0 HA GLN A 70 51.454 -8.003 10.467 1.00 14.44 H new ATOM 0 HB2 GLN A 70 53.961 -7.681 10.124 1.00 3.43 H new ATOM 0 HB3 GLN A 70 53.294 -9.214 9.599 1.00 3.43 H new ATOM 0 HG2 GLN A 70 53.912 -8.870 7.464 1.00 71.31 H new ATOM 0 HG3 GLN A 70 53.223 -7.259 7.438 1.00 71.31 H new ATOM 0 HE21 GLN A 70 54.759 -5.955 6.616 1.00 22.12 H new ATOM 0 HE22 GLN A 70 56.422 -5.858 7.203 1.00 22.12 H new ATOM 997 N GLY A 71 51.001 -5.517 10.454 1.00 53.03 N ATOM 998 CA GLY A 71 50.956 -4.080 10.650 1.00 52.23 C ATOM 999 C GLY A 71 49.561 -3.582 10.971 1.00 54.44 C ATOM 1000 O GLY A 71 48.946 -4.019 11.942 1.00 24.53 O ATOM 0 H GLY A 71 50.270 -6.039 10.937 1.00 53.03 H new ATOM 0 HA2 GLY A 71 51.632 -3.806 11.460 1.00 52.23 H new ATOM 0 HA3 GLY A 71 51.318 -3.582 9.750 1.00 52.23 H new ATOM 1004 N ASN A 72 49.060 -2.662 10.152 1.00 14.14 N ATOM 1005 CA ASN A 72 47.728 -2.102 10.356 1.00 45.34 C ATOM 1006 C ASN A 72 46.926 -2.121 9.058 1.00 22.11 C ATOM 1007 O ASN A 72 47.432 -1.756 7.997 1.00 3.50 O ATOM 1008 CB ASN A 72 47.830 -0.669 10.884 1.00 24.50 C ATOM 1009 CG ASN A 72 48.386 0.290 9.849 1.00 14.35 C ATOM 1010 OD1 ASN A 72 49.548 0.193 9.457 1.00 24.10 O ATOM 1011 ND2 ASN A 72 47.554 1.224 9.403 1.00 41.42 N ATOM 0 H ASN A 72 49.555 -2.289 9.342 1.00 14.14 H new ATOM 0 HA ASN A 72 47.211 -2.718 11.092 1.00 45.34 H new ATOM 0 HB2 ASN A 72 46.843 -0.329 11.197 1.00 24.50 H new ATOM 0 HB3 ASN A 72 48.467 -0.655 11.768 1.00 24.50 H new ATOM 0 HD21 ASN A 72 47.871 1.899 8.707 1.00 41.42 H new ATOM 0 HD22 ASN A 72 46.598 1.267 9.757 1.00 41.42 H new ATOM 1018 N VAL A 73 45.671 -2.550 9.151 1.00 43.31 N ATOM 1019 CA VAL A 73 44.798 -2.615 7.985 1.00 33.35 C ATOM 1020 C VAL A 73 43.414 -2.059 8.304 1.00 45.35 C ATOM 1021 O VAL A 73 42.880 -2.277 9.391 1.00 1.41 O ATOM 1022 CB VAL A 73 44.652 -4.061 7.474 1.00 42.33 C ATOM 1023 CG1 VAL A 73 45.915 -4.500 6.748 1.00 32.12 C ATOM 1024 CG2 VAL A 73 44.333 -5.003 8.624 1.00 22.24 C ATOM 0 H VAL A 73 45.237 -2.857 10.021 1.00 43.31 H new ATOM 0 HA VAL A 73 45.261 -2.007 7.208 1.00 33.35 H new ATOM 0 HB VAL A 73 43.824 -4.096 6.766 1.00 42.33 H new ATOM 0 HG11 VAL A 73 45.794 -5.524 6.394 1.00 32.12 H new ATOM 0 HG12 VAL A 73 46.094 -3.841 5.898 1.00 32.12 H new ATOM 0 HG13 VAL A 73 46.763 -4.450 7.431 1.00 32.12 H new ATOM 0 HG21 VAL A 73 44.233 -6.020 8.244 1.00 22.24 H new ATOM 0 HG22 VAL A 73 45.138 -4.967 9.358 1.00 22.24 H new ATOM 0 HG23 VAL A 73 43.399 -4.698 9.095 1.00 22.24 H new ATOM 1034 N LYS A 74 42.838 -1.339 7.347 1.00 42.21 N ATOM 1035 CA LYS A 74 41.515 -0.751 7.523 1.00 64.24 C ATOM 1036 C LYS A 74 40.503 -1.400 6.584 1.00 31.02 C ATOM 1037 O LYS A 74 40.533 -1.179 5.373 1.00 24.44 O ATOM 1038 CB LYS A 74 41.567 0.757 7.270 1.00 1.20 C ATOM 1039 CG LYS A 74 42.748 1.445 7.933 1.00 64.34 C ATOM 1040 CD LYS A 74 42.776 1.186 9.430 1.00 42.03 C ATOM 1041 CE LYS A 74 41.545 1.756 10.117 1.00 50.31 C ATOM 1042 NZ LYS A 74 41.400 3.218 9.871 1.00 32.15 N ATOM 0 H LYS A 74 43.267 -1.149 6.441 1.00 42.21 H new ATOM 0 HA LYS A 74 41.198 -0.930 8.551 1.00 64.24 H new ATOM 0 HB2 LYS A 74 41.610 0.935 6.196 1.00 1.20 H new ATOM 0 HB3 LYS A 74 40.644 1.210 7.632 1.00 1.20 H new ATOM 0 HG2 LYS A 74 43.676 1.090 7.484 1.00 64.34 H new ATOM 0 HG3 LYS A 74 42.695 2.518 7.749 1.00 64.34 H new ATOM 0 HD2 LYS A 74 42.833 0.113 9.614 1.00 42.03 H new ATOM 0 HD3 LYS A 74 43.673 1.631 9.861 1.00 42.03 H new ATOM 0 HE2 LYS A 74 40.656 1.237 9.758 1.00 50.31 H new ATOM 0 HE3 LYS A 74 41.610 1.573 11.190 1.00 50.31 H new ATOM 0 HZ1 LYS A 74 40.715 3.617 10.545 1.00 32.15 H new ATOM 0 HZ2 LYS A 74 42.321 3.684 9.996 1.00 32.15 H new ATOM 0 HZ3 LYS A 74 41.062 3.375 8.900 1.00 32.15 H new ATOM 1056 N VAL A 75 39.605 -2.200 7.151 1.00 24.21 N ATOM 1057 CA VAL A 75 38.582 -2.879 6.365 1.00 12.23 C ATOM 1058 C VAL A 75 37.259 -2.122 6.415 1.00 22.31 C ATOM 1059 O VAL A 75 36.766 -1.780 7.491 1.00 63.04 O ATOM 1060 CB VAL A 75 38.356 -4.319 6.862 1.00 32.12 C ATOM 1061 CG1 VAL A 75 37.258 -4.996 6.056 1.00 32.11 C ATOM 1062 CG2 VAL A 75 39.650 -5.116 6.791 1.00 74.13 C ATOM 0 H VAL A 75 39.566 -2.393 8.152 1.00 24.21 H new ATOM 0 HA VAL A 75 38.941 -2.910 5.336 1.00 12.23 H new ATOM 0 HB VAL A 75 38.037 -4.280 7.904 1.00 32.12 H new ATOM 0 HG11 VAL A 75 37.112 -6.013 6.421 1.00 32.11 H new ATOM 0 HG12 VAL A 75 36.329 -4.435 6.163 1.00 32.11 H new ATOM 0 HG13 VAL A 75 37.544 -5.026 5.005 1.00 32.11 H new ATOM 0 HG21 VAL A 75 39.472 -6.131 7.146 1.00 74.13 H new ATOM 0 HG22 VAL A 75 40.001 -5.149 5.760 1.00 74.13 H new ATOM 0 HG23 VAL A 75 40.405 -4.640 7.417 1.00 74.13 H new ATOM 1072 N THR A 76 36.687 -1.864 5.243 1.00 10.32 N ATOM 1073 CA THR A 76 35.421 -1.147 5.152 1.00 3.13 C ATOM 1074 C THR A 76 34.524 -1.750 4.078 1.00 51.03 C ATOM 1075 O THR A 76 35.004 -2.223 3.048 1.00 2.31 O ATOM 1076 CB THR A 76 35.642 0.346 4.842 1.00 30.34 C ATOM 1077 OG1 THR A 76 36.027 0.510 3.473 1.00 54.21 O ATOM 1078 CG2 THR A 76 36.712 0.934 5.749 1.00 3.22 C ATOM 0 H THR A 76 37.080 -2.141 4.344 1.00 10.32 H new ATOM 0 HA THR A 76 34.934 -1.241 6.123 1.00 3.13 H new ATOM 0 HB THR A 76 34.706 0.874 5.021 1.00 30.34 H new ATOM 0 HG1 THR A 76 36.164 1.462 3.283 1.00 54.21 H new ATOM 0 HG21 THR A 76 36.851 1.989 5.512 1.00 3.22 H new ATOM 0 HG22 THR A 76 36.402 0.834 6.789 1.00 3.22 H new ATOM 0 HG23 THR A 76 37.651 0.401 5.597 1.00 3.22 H new ATOM 1086 N ALA A 77 33.218 -1.730 4.324 1.00 1.30 N ATOM 1087 CA ALA A 77 32.253 -2.272 3.376 1.00 63.34 C ATOM 1088 C ALA A 77 30.934 -1.510 3.438 1.00 42.24 C ATOM 1089 O ALA A 77 30.410 -1.244 4.519 1.00 20.02 O ATOM 1090 CB ALA A 77 32.023 -3.752 3.645 1.00 0.13 C ATOM 0 H ALA A 77 32.804 -1.344 5.173 1.00 1.30 H new ATOM 0 HA ALA A 77 32.662 -2.155 2.373 1.00 63.34 H new ATOM 0 HB1 ALA A 77 31.300 -4.144 2.930 1.00 0.13 H new ATOM 0 HB2 ALA A 77 32.965 -4.291 3.542 1.00 0.13 H new ATOM 0 HB3 ALA A 77 31.639 -3.883 4.657 1.00 0.13 H new ATOM 1096 N SER A 78 30.403 -1.160 2.271 1.00 51.25 N ATOM 1097 CA SER A 78 29.147 -0.423 2.193 1.00 73.44 C ATOM 1098 C SER A 78 28.157 -1.133 1.273 1.00 2.22 C ATOM 1099 O SER A 78 28.531 -1.643 0.216 1.00 0.54 O ATOM 1100 CB SER A 78 29.396 1.000 1.691 1.00 51.31 C ATOM 1101 OG SER A 78 30.357 1.663 2.494 1.00 64.13 O ATOM 0 H SER A 78 30.823 -1.375 1.367 1.00 51.25 H new ATOM 0 HA SER A 78 28.718 -0.377 3.194 1.00 73.44 H new ATOM 0 HB2 SER A 78 29.740 0.969 0.657 1.00 51.31 H new ATOM 0 HB3 SER A 78 28.461 1.561 1.699 1.00 51.31 H new ATOM 0 HG SER A 78 30.735 2.418 1.996 1.00 64.13 H new ATOM 1107 N ILE A 79 26.894 -1.161 1.684 1.00 72.33 N ATOM 1108 CA ILE A 79 25.850 -1.807 0.897 1.00 10.23 C ATOM 1109 C ILE A 79 24.585 -0.956 0.860 1.00 72.44 C ATOM 1110 O ILE A 79 24.004 -0.642 1.898 1.00 61.42 O ATOM 1111 CB ILE A 79 25.503 -3.199 1.457 1.00 11.13 C ATOM 1112 CG1 ILE A 79 24.360 -3.825 0.655 1.00 11.34 C ATOM 1113 CG2 ILE A 79 25.132 -3.100 2.930 1.00 63.25 C ATOM 1114 CD1 ILE A 79 24.049 -5.249 1.058 1.00 35.20 C ATOM 0 H ILE A 79 26.569 -0.744 2.556 1.00 72.33 H new ATOM 0 HA ILE A 79 26.240 -1.919 -0.115 1.00 10.23 H new ATOM 0 HB ILE A 79 26.380 -3.840 1.365 1.00 11.13 H new ATOM 0 HG12 ILE A 79 23.464 -3.217 0.779 1.00 11.34 H new ATOM 0 HG13 ILE A 79 24.616 -3.803 -0.404 1.00 11.34 H new ATOM 0 HG21 ILE A 79 24.889 -4.092 3.312 1.00 63.25 H new ATOM 0 HG22 ILE A 79 25.973 -2.691 3.490 1.00 63.25 H new ATOM 0 HG23 ILE A 79 24.268 -2.446 3.044 1.00 63.25 H new ATOM 0 HD11 ILE A 79 23.229 -5.629 0.448 1.00 35.20 H new ATOM 0 HD12 ILE A 79 24.931 -5.871 0.907 1.00 35.20 H new ATOM 0 HD13 ILE A 79 23.762 -5.275 2.109 1.00 35.20 H new ATOM 1126 N GLY A 80 24.161 -0.588 -0.346 1.00 5.22 N ATOM 1127 CA GLY A 80 22.966 0.221 -0.497 1.00 4.51 C ATOM 1128 C GLY A 80 23.094 1.574 0.175 1.00 54.43 C ATOM 1129 O GLY A 80 23.741 2.478 -0.352 1.00 5.13 O ATOM 0 H GLY A 80 24.624 -0.836 -1.220 1.00 5.22 H new ATOM 0 HA2 GLY A 80 22.759 0.364 -1.558 1.00 4.51 H new ATOM 0 HA3 GLY A 80 22.114 -0.312 -0.075 1.00 4.51 H new ATOM 1133 N GLY A 81 22.472 1.715 1.341 1.00 14.34 N ATOM 1134 CA GLY A 81 22.529 2.972 2.066 1.00 60.52 C ATOM 1135 C GLY A 81 23.537 2.943 3.198 1.00 73.53 C ATOM 1136 O GLY A 81 24.725 3.188 2.986 1.00 14.53 O ATOM 0 H GLY A 81 21.929 0.982 1.797 1.00 14.34 H new ATOM 0 HA2 GLY A 81 22.786 3.775 1.375 1.00 60.52 H new ATOM 0 HA3 GLY A 81 21.542 3.201 2.468 1.00 60.52 H new ATOM 1140 N ILE A 82 23.063 2.643 4.402 1.00 14.03 N ATOM 1141 CA ILE A 82 23.931 2.584 5.571 1.00 31.25 C ATOM 1142 C ILE A 82 25.143 1.696 5.311 1.00 4.33 C ATOM 1143 O ILE A 82 25.068 0.735 4.547 1.00 72.02 O ATOM 1144 CB ILE A 82 23.177 2.055 6.806 1.00 4.12 C ATOM 1145 CG1 ILE A 82 21.878 2.837 7.011 1.00 4.15 C ATOM 1146 CG2 ILE A 82 24.058 2.146 8.043 1.00 1.34 C ATOM 1147 CD1 ILE A 82 20.636 2.047 6.664 1.00 42.14 C ATOM 0 H ILE A 82 22.083 2.437 4.594 1.00 14.03 H new ATOM 0 HA ILE A 82 24.265 3.603 5.768 1.00 31.25 H new ATOM 0 HB ILE A 82 22.926 1.008 6.639 1.00 4.12 H new ATOM 0 HG12 ILE A 82 21.816 3.157 8.051 1.00 4.15 H new ATOM 0 HG13 ILE A 82 21.907 3.740 6.401 1.00 4.15 H new ATOM 0 HG21 ILE A 82 23.512 1.769 8.907 1.00 1.34 H new ATOM 0 HG22 ILE A 82 24.958 1.549 7.894 1.00 1.34 H new ATOM 0 HG23 ILE A 82 24.337 3.186 8.215 1.00 1.34 H new ATOM 0 HD11 ILE A 82 19.753 2.664 6.833 1.00 42.14 H new ATOM 0 HD12 ILE A 82 20.675 1.749 5.616 1.00 42.14 H new ATOM 0 HD13 ILE A 82 20.583 1.158 7.292 1.00 42.14 H new ATOM 1159 N GLN A 83 26.259 2.025 5.954 1.00 44.31 N ATOM 1160 CA GLN A 83 27.488 1.257 5.792 1.00 20.24 C ATOM 1161 C GLN A 83 28.350 1.338 7.048 1.00 41.51 C ATOM 1162 O GLN A 83 28.166 2.223 7.883 1.00 60.10 O ATOM 1163 CB GLN A 83 28.277 1.764 4.584 1.00 53.01 C ATOM 1164 CG GLN A 83 28.700 3.219 4.701 1.00 53.52 C ATOM 1165 CD GLN A 83 28.699 3.936 3.365 1.00 1.40 C ATOM 1166 OE1 GLN A 83 27.726 3.872 2.613 1.00 21.21 O ATOM 1167 NE2 GLN A 83 29.793 4.626 3.062 1.00 31.23 N ATOM 0 H GLN A 83 26.337 2.817 6.591 1.00 44.31 H new ATOM 0 HA GLN A 83 27.216 0.215 5.627 1.00 20.24 H new ATOM 0 HB2 GLN A 83 29.165 1.145 4.455 1.00 53.01 H new ATOM 0 HB3 GLN A 83 27.670 1.642 3.687 1.00 53.01 H new ATOM 0 HG2 GLN A 83 28.028 3.735 5.386 1.00 53.52 H new ATOM 0 HG3 GLN A 83 29.698 3.269 5.135 1.00 53.52 H new ATOM 0 HE21 GLN A 83 30.576 4.652 3.715 1.00 31.23 H new ATOM 0 HE22 GLN A 83 29.849 5.130 2.177 1.00 31.23 H new ATOM 1176 N GLY A 84 29.292 0.409 7.175 1.00 64.15 N ATOM 1177 CA GLY A 84 30.169 0.394 8.331 1.00 34.43 C ATOM 1178 C GLY A 84 31.556 -0.120 8.001 1.00 31.21 C ATOM 1179 O GLY A 84 31.794 -0.624 6.903 1.00 12.43 O ATOM 0 H GLY A 84 29.464 -0.334 6.498 1.00 64.15 H new ATOM 0 HA2 GLY A 84 30.246 1.402 8.738 1.00 34.43 H new ATOM 0 HA3 GLY A 84 29.729 -0.230 9.109 1.00 34.43 H new ATOM 1183 N SER A 85 32.475 0.008 8.953 1.00 51.43 N ATOM 1184 CA SER A 85 33.848 -0.442 8.755 1.00 12.14 C ATOM 1185 C SER A 85 34.433 -0.987 10.055 1.00 74.44 C ATOM 1186 O SER A 85 33.981 -0.641 11.147 1.00 63.11 O ATOM 1187 CB SER A 85 34.714 0.707 8.236 1.00 40.13 C ATOM 1188 OG SER A 85 34.409 1.919 8.905 1.00 62.52 O ATOM 0 H SER A 85 32.294 0.419 9.869 1.00 51.43 H new ATOM 0 HA SER A 85 33.839 -1.243 8.016 1.00 12.14 H new ATOM 0 HB2 SER A 85 35.767 0.465 8.378 1.00 40.13 H new ATOM 0 HB3 SER A 85 34.556 0.830 7.164 1.00 40.13 H new ATOM 0 HG SER A 85 34.977 2.637 8.556 1.00 62.52 H new ATOM 1194 N THR A 86 35.441 -1.844 9.928 1.00 25.14 N ATOM 1195 CA THR A 86 36.089 -2.439 11.091 1.00 75.53 C ATOM 1196 C THR A 86 37.588 -2.163 11.087 1.00 34.22 C ATOM 1197 O THR A 86 38.190 -1.966 10.032 1.00 54.35 O ATOM 1198 CB THR A 86 35.859 -3.962 11.143 1.00 13.34 C ATOM 1199 OG1 THR A 86 36.284 -4.478 12.410 1.00 53.24 O ATOM 1200 CG2 THR A 86 36.615 -4.662 10.025 1.00 62.12 C ATOM 0 H THR A 86 35.827 -2.142 9.032 1.00 25.14 H new ATOM 0 HA THR A 86 35.641 -1.980 11.972 1.00 75.53 H new ATOM 0 HB THR A 86 34.794 -4.151 11.013 1.00 13.34 H new ATOM 0 HG1 THR A 86 36.249 -3.765 13.082 1.00 53.24 H new ATOM 0 HG21 THR A 86 36.437 -5.736 10.082 1.00 62.12 H new ATOM 0 HG22 THR A 86 36.269 -4.288 9.062 1.00 62.12 H new ATOM 0 HG23 THR A 86 37.682 -4.465 10.128 1.00 62.12 H new ATOM 1208 N ASP A 87 38.185 -2.151 12.274 1.00 70.24 N ATOM 1209 CA ASP A 87 39.615 -1.901 12.407 1.00 44.20 C ATOM 1210 C ASP A 87 40.364 -3.188 12.741 1.00 54.43 C ATOM 1211 O ASP A 87 40.023 -3.886 13.696 1.00 44.01 O ATOM 1212 CB ASP A 87 39.872 -0.851 13.490 1.00 64.44 C ATOM 1213 CG ASP A 87 41.316 -0.388 13.516 1.00 73.11 C ATOM 1214 OD1 ASP A 87 42.059 -0.710 12.566 1.00 62.40 O ATOM 1215 OD2 ASP A 87 41.702 0.296 14.487 1.00 60.01 O ATOM 0 H ASP A 87 37.701 -2.311 13.157 1.00 70.24 H new ATOM 0 HA ASP A 87 39.983 -1.525 11.452 1.00 44.20 H new ATOM 0 HB2 ASP A 87 39.221 0.007 13.322 1.00 64.44 H new ATOM 0 HB3 ASP A 87 39.609 -1.265 14.463 1.00 64.44 H new ATOM 1220 N PHE A 88 41.384 -3.496 11.947 1.00 54.13 N ATOM 1221 CA PHE A 88 42.179 -4.700 12.156 1.00 30.14 C ATOM 1222 C PHE A 88 43.662 -4.359 12.272 1.00 71.25 C ATOM 1223 O PHE A 88 44.281 -3.898 11.313 1.00 42.23 O ATOM 1224 CB PHE A 88 41.959 -5.688 11.009 1.00 31.43 C ATOM 1225 CG PHE A 88 40.838 -6.657 11.259 1.00 1.31 C ATOM 1226 CD1 PHE A 88 39.520 -6.231 11.237 1.00 33.54 C ATOM 1227 CD2 PHE A 88 41.103 -7.992 11.516 1.00 22.22 C ATOM 1228 CE1 PHE A 88 38.486 -7.120 11.466 1.00 11.04 C ATOM 1229 CE2 PHE A 88 40.074 -8.885 11.746 1.00 73.34 C ATOM 1230 CZ PHE A 88 38.764 -8.448 11.722 1.00 74.51 C ATOM 0 H PHE A 88 41.679 -2.928 11.153 1.00 54.13 H new ATOM 0 HA PHE A 88 41.856 -5.161 13.090 1.00 30.14 H new ATOM 0 HB2 PHE A 88 41.750 -5.131 10.095 1.00 31.43 H new ATOM 0 HB3 PHE A 88 42.880 -6.246 10.839 1.00 31.43 H new ATOM 0 HD1 PHE A 88 39.298 -5.193 11.039 1.00 33.54 H new ATOM 0 HD2 PHE A 88 42.126 -8.339 11.537 1.00 22.22 H new ATOM 0 HE1 PHE A 88 37.462 -6.776 11.445 1.00 11.04 H new ATOM 0 HE2 PHE A 88 40.294 -9.924 11.944 1.00 73.34 H new ATOM 0 HZ PHE A 88 37.958 -9.144 11.903 1.00 74.51 H new ATOM 1240 N LYS A 89 44.226 -4.589 13.452 1.00 34.45 N ATOM 1241 CA LYS A 89 45.636 -4.308 13.696 1.00 74.35 C ATOM 1242 C LYS A 89 46.392 -5.585 14.050 1.00 53.14 C ATOM 1243 O LYS A 89 46.113 -6.222 15.066 1.00 42.42 O ATOM 1244 CB LYS A 89 45.786 -3.285 14.823 1.00 13.41 C ATOM 1245 CG LYS A 89 46.003 -1.864 14.330 1.00 25.43 C ATOM 1246 CD LYS A 89 47.192 -1.212 15.017 1.00 54.11 C ATOM 1247 CE LYS A 89 46.770 -0.472 16.277 1.00 32.22 C ATOM 1248 NZ LYS A 89 47.421 0.863 16.381 1.00 51.12 N ATOM 0 H LYS A 89 43.728 -4.970 14.256 1.00 34.45 H new ATOM 0 HA LYS A 89 46.062 -3.896 12.781 1.00 74.35 H new ATOM 0 HB2 LYS A 89 44.893 -3.312 15.448 1.00 13.41 H new ATOM 0 HB3 LYS A 89 46.626 -3.574 15.455 1.00 13.41 H new ATOM 0 HG2 LYS A 89 46.164 -1.872 13.252 1.00 25.43 H new ATOM 0 HG3 LYS A 89 45.106 -1.273 14.514 1.00 25.43 H new ATOM 0 HD2 LYS A 89 47.930 -1.973 15.271 1.00 54.11 H new ATOM 0 HD3 LYS A 89 47.675 -0.517 14.330 1.00 54.11 H new ATOM 0 HE2 LYS A 89 45.687 -0.349 16.280 1.00 32.22 H new ATOM 0 HE3 LYS A 89 47.026 -1.070 17.152 1.00 32.22 H new ATOM 0 HZ1 LYS A 89 47.107 1.335 17.253 1.00 51.12 H new ATOM 0 HZ2 LYS A 89 48.454 0.745 16.404 1.00 51.12 H new ATOM 0 HZ3 LYS A 89 47.157 1.443 15.559 1.00 51.12 H new ATOM 1262 N VAL A 90 47.350 -5.953 13.206 1.00 45.13 N ATOM 1263 CA VAL A 90 48.149 -7.152 13.431 1.00 34.02 C ATOM 1264 C VAL A 90 49.558 -6.796 13.892 1.00 54.24 C ATOM 1265 O VAL A 90 50.366 -6.285 13.116 1.00 43.21 O ATOM 1266 CB VAL A 90 48.239 -8.014 12.158 1.00 51.22 C ATOM 1267 CG1 VAL A 90 48.890 -9.354 12.465 1.00 42.32 C ATOM 1268 CG2 VAL A 90 46.859 -8.210 11.549 1.00 51.44 C ATOM 0 H VAL A 90 47.592 -5.438 12.360 1.00 45.13 H new ATOM 0 HA VAL A 90 47.648 -7.723 14.213 1.00 34.02 H new ATOM 0 HB VAL A 90 48.862 -7.493 11.431 1.00 51.22 H new ATOM 0 HG11 VAL A 90 48.945 -9.949 11.553 1.00 42.32 H new ATOM 0 HG12 VAL A 90 49.896 -9.190 12.852 1.00 42.32 H new ATOM 0 HG13 VAL A 90 48.297 -9.885 13.210 1.00 42.32 H new ATOM 0 HG21 VAL A 90 46.941 -8.821 10.650 1.00 51.44 H new ATOM 0 HG22 VAL A 90 46.211 -8.709 12.269 1.00 51.44 H new ATOM 0 HG23 VAL A 90 46.434 -7.240 11.290 1.00 51.44 H new ATOM 1278 N THR A 91 49.847 -7.069 15.160 1.00 32.31 N ATOM 1279 CA THR A 91 51.158 -6.777 15.725 1.00 21.42 C ATOM 1280 C THR A 91 51.787 -8.028 16.329 1.00 3.41 C ATOM 1281 O THR A 91 51.085 -8.910 16.822 1.00 40.10 O ATOM 1282 CB THR A 91 51.073 -5.685 16.808 1.00 72.10 C ATOM 1283 OG1 THR A 91 50.272 -6.143 17.904 1.00 44.15 O ATOM 1284 CG2 THR A 91 50.479 -4.405 16.240 1.00 60.03 C ATOM 0 H THR A 91 49.190 -7.492 15.816 1.00 32.31 H new ATOM 0 HA THR A 91 51.782 -6.418 14.906 1.00 21.42 H new ATOM 0 HB THR A 91 52.083 -5.474 17.160 1.00 72.10 H new ATOM 0 HG1 THR A 91 50.224 -5.444 18.589 1.00 44.15 H new ATOM 0 HG21 THR A 91 50.429 -3.648 17.023 1.00 60.03 H new ATOM 0 HG22 THR A 91 51.106 -4.043 15.425 1.00 60.03 H new ATOM 0 HG23 THR A 91 49.476 -4.605 15.864 1.00 60.03 H new ATOM 1292 N GLN A 92 53.114 -8.096 16.288 1.00 50.13 N ATOM 1293 CA GLN A 92 53.837 -9.239 16.832 1.00 71.44 C ATOM 1294 C GLN A 92 53.523 -9.428 18.312 1.00 2.42 C ATOM 1295 O GLN A 92 53.090 -8.494 18.989 1.00 22.54 O ATOM 1296 CB GLN A 92 55.343 -9.057 16.636 1.00 21.24 C ATOM 1297 CG GLN A 92 55.954 -8.013 17.557 1.00 51.34 C ATOM 1298 CD GLN A 92 56.898 -7.075 16.830 1.00 72.11 C ATOM 1299 OE1 GLN A 92 57.736 -7.509 16.040 1.00 62.35 O ATOM 1300 NE2 GLN A 92 56.766 -5.780 17.094 1.00 22.40 N ATOM 0 H GLN A 92 53.710 -7.373 15.884 1.00 50.13 H new ATOM 0 HA GLN A 92 53.513 -10.131 16.295 1.00 71.44 H new ATOM 0 HB2 GLN A 92 55.841 -10.012 16.802 1.00 21.24 H new ATOM 0 HB3 GLN A 92 55.535 -8.774 15.601 1.00 21.24 H new ATOM 0 HG2 GLN A 92 55.157 -7.432 18.021 1.00 51.34 H new ATOM 0 HG3 GLN A 92 56.493 -8.514 18.361 1.00 51.34 H new ATOM 0 HE21 GLN A 92 56.057 -5.464 17.756 1.00 22.40 H new ATOM 0 HE22 GLN A 92 57.373 -5.101 16.635 1.00 22.40 H new