USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 636 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 94 CYS SG : rot 101:sc= 1.05 USER MOD Set 1.2: A 101 CYS SG : rot 177:sc= 0.398 USER MOD Set 2.1: A 93 ASN : amide:sc=-0.00672 X(o=-0.0067,f=-0.36) USER MOD Set 2.2: A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 63 THR OG1 : rot 180:sc= -0.729 USER MOD Set 3.2: A 65 LYS NZ :NH3+ -110:sc= -0.546 (180deg=-4.27!) USER MOD Single : A 5 THR OG1 : rot -35:sc= 0.0274 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 166:sc= -0.855 (180deg=-1.1!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 12 SER OG : rot 61:sc= 0.127 USER MOD Single : A 16 THR OG1 : rot -35:sc= 0.116 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.49) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00969 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0276 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.879 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -1.6 X(o=-1.6,f=-1.8) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0.065) USER MOD Single : A 70 ASN : amide:sc= -2.47 K(o=-2.5,f=-3.7!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 38:sc= 0.0125 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.36 K(o=-1.4,f=-7.7!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.5!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 5 -18.128 14.801 20.835 1.00 63.25 N ATOM 47 CA THR A 5 -18.283 13.412 21.246 1.00 60.31 C ATOM 48 C THR A 5 -18.271 12.478 20.042 1.00 22.22 C ATOM 49 O THR A 5 -18.455 12.913 18.906 1.00 41.11 O ATOM 50 CB THR A 5 -19.591 13.201 22.033 1.00 32.13 C ATOM 51 OG1 THR A 5 -20.717 13.487 21.197 1.00 14.02 O ATOM 52 CG2 THR A 5 -19.630 14.090 23.267 1.00 10.42 C ATOM 0 HA THR A 5 -17.437 13.178 21.893 1.00 60.31 H new ATOM 0 HB THR A 5 -19.632 12.160 22.354 1.00 32.13 H new ATOM 0 HG1 THR A 5 -20.497 14.228 20.594 1.00 14.02 H new ATOM 0 HG21 THR A 5 -20.563 13.923 23.806 1.00 10.42 H new ATOM 0 HG22 THR A 5 -18.788 13.849 23.916 1.00 10.42 H new ATOM 0 HG23 THR A 5 -19.568 15.135 22.964 1.00 10.42 H new ATOM 60 N ALA A 6 -18.054 11.192 20.299 1.00 25.23 N ATOM 61 CA ALA A 6 -18.021 10.196 19.235 1.00 11.41 C ATOM 62 C ALA A 6 -18.665 8.890 19.686 1.00 15.22 C ATOM 63 O ALA A 6 -18.861 8.661 20.880 1.00 32.31 O ATOM 64 CB ALA A 6 -16.588 9.954 18.784 1.00 31.24 C ATOM 0 H ALA A 6 -17.899 10.816 21.234 1.00 25.23 H new ATOM 0 HA ALA A 6 -18.595 10.580 18.392 1.00 11.41 H new ATOM 0 HB1 ALA A 6 -16.578 9.208 17.989 1.00 31.24 H new ATOM 0 HB2 ALA A 6 -16.161 10.886 18.413 1.00 31.24 H new ATOM 0 HB3 ALA A 6 -15.997 9.595 19.627 1.00 31.24 H new ATOM 70 N THR A 7 -18.993 8.034 18.723 1.00 34.05 N ATOM 71 CA THR A 7 -19.616 6.750 19.021 1.00 40.14 C ATOM 72 C THR A 7 -19.128 5.666 18.067 1.00 53.54 C ATOM 73 O THR A 7 -18.910 5.921 16.882 1.00 11.32 O ATOM 74 CB THR A 7 -21.151 6.838 18.938 1.00 22.43 C ATOM 75 OG1 THR A 7 -21.536 7.999 18.194 1.00 0.50 O ATOM 76 CG2 THR A 7 -21.767 6.894 20.328 1.00 13.43 C ATOM 0 H THR A 7 -18.838 8.207 17.730 1.00 34.05 H new ATOM 0 HA THR A 7 -19.329 6.489 20.040 1.00 40.14 H new ATOM 0 HB THR A 7 -21.516 5.944 18.432 1.00 22.43 H new ATOM 0 HG1 THR A 7 -22.514 8.046 18.144 1.00 0.50 H new ATOM 0 HG21 THR A 7 -22.852 6.956 20.243 1.00 13.43 H new ATOM 0 HG22 THR A 7 -21.497 5.995 20.882 1.00 13.43 H new ATOM 0 HG23 THR A 7 -21.394 7.771 20.856 1.00 13.43 H new ATOM 84 N PHE A 8 -18.958 4.456 18.589 1.00 60.10 N ATOM 85 CA PHE A 8 -18.495 3.333 17.782 1.00 12.20 C ATOM 86 C PHE A 8 -19.674 2.524 17.250 1.00 0.14 C ATOM 87 O PHE A 8 -20.529 2.078 18.014 1.00 45.00 O ATOM 88 CB PHE A 8 -17.573 2.432 18.606 1.00 72.12 C ATOM 89 CG PHE A 8 -17.191 1.162 17.902 1.00 32.33 C ATOM 90 CD1 PHE A 8 -16.643 1.197 16.630 1.00 12.32 C ATOM 91 CD2 PHE A 8 -17.379 -0.068 18.512 1.00 44.14 C ATOM 92 CE1 PHE A 8 -16.291 0.030 15.979 1.00 11.12 C ATOM 93 CE2 PHE A 8 -17.029 -1.239 17.866 1.00 34.32 C ATOM 94 CZ PHE A 8 -16.483 -1.189 16.599 1.00 34.54 C ATOM 0 H PHE A 8 -19.134 4.228 19.567 1.00 60.10 H new ATOM 0 HA PHE A 8 -17.938 3.731 16.934 1.00 12.20 H new ATOM 0 HB2 PHE A 8 -16.668 2.985 18.858 1.00 72.12 H new ATOM 0 HB3 PHE A 8 -18.066 2.183 19.546 1.00 72.12 H new ATOM 0 HD1 PHE A 8 -16.489 2.148 16.141 1.00 12.32 H new ATOM 0 HD2 PHE A 8 -17.804 -0.112 19.504 1.00 44.14 H new ATOM 0 HE1 PHE A 8 -15.866 0.071 14.987 1.00 11.12 H new ATOM 0 HE2 PHE A 8 -17.182 -2.191 18.352 1.00 34.32 H new ATOM 0 HZ PHE A 8 -16.206 -2.102 16.093 1.00 34.54 H new ATOM 104 N ALA A 9 -19.710 2.338 15.935 1.00 4.32 N ATOM 105 CA ALA A 9 -20.782 1.582 15.299 1.00 33.52 C ATOM 106 C ALA A 9 -20.222 0.500 14.382 1.00 24.20 C ATOM 107 O ALA A 9 -19.039 0.511 14.042 1.00 3.30 O ATOM 108 CB ALA A 9 -21.697 2.514 14.521 1.00 43.23 C ATOM 0 H ALA A 9 -19.009 2.701 15.289 1.00 4.32 H new ATOM 0 HA ALA A 9 -21.362 1.094 16.082 1.00 33.52 H new ATOM 0 HB1 ALA A 9 -22.492 1.935 14.052 1.00 43.23 H new ATOM 0 HB2 ALA A 9 -22.133 3.246 15.200 1.00 43.23 H new ATOM 0 HB3 ALA A 9 -21.122 3.030 13.752 1.00 43.23 H new ATOM 114 N LYS A 10 -21.078 -0.435 13.985 1.00 21.42 N ATOM 115 CA LYS A 10 -20.670 -1.525 13.107 1.00 10.42 C ATOM 116 C LYS A 10 -21.187 -1.303 11.689 1.00 42.01 C ATOM 117 O LYS A 10 -22.000 -0.411 11.445 1.00 44.24 O ATOM 118 CB LYS A 10 -21.184 -2.861 13.646 1.00 31.24 C ATOM 119 CG LYS A 10 -20.115 -3.938 13.720 1.00 24.30 C ATOM 120 CD LYS A 10 -20.294 -4.978 12.627 1.00 13.55 C ATOM 121 CE LYS A 10 -18.970 -5.624 12.250 1.00 52.35 C ATOM 122 NZ LYS A 10 -18.580 -6.694 13.209 1.00 62.32 N ATOM 0 H LYS A 10 -22.060 -0.460 14.258 1.00 21.42 H new ATOM 0 HA LYS A 10 -19.581 -1.548 13.078 1.00 10.42 H new ATOM 0 HB2 LYS A 10 -21.601 -2.706 14.641 1.00 31.24 H new ATOM 0 HB3 LYS A 10 -21.997 -3.211 13.010 1.00 31.24 H new ATOM 0 HG2 LYS A 10 -19.130 -3.481 13.630 1.00 24.30 H new ATOM 0 HG3 LYS A 10 -20.153 -4.424 14.695 1.00 24.30 H new ATOM 0 HD2 LYS A 10 -20.991 -5.745 12.964 1.00 13.55 H new ATOM 0 HD3 LYS A 10 -20.735 -4.510 11.747 1.00 13.55 H new ATOM 0 HE2 LYS A 10 -19.044 -6.045 11.247 1.00 52.35 H new ATOM 0 HE3 LYS A 10 -18.191 -4.863 12.219 1.00 52.35 H new ATOM 0 HZ1 LYS A 10 -17.812 -7.264 12.800 1.00 62.32 H new ATOM 0 HZ2 LYS A 10 -18.255 -6.262 14.098 1.00 62.32 H new ATOM 0 HZ3 LYS A 10 -19.400 -7.305 13.400 1.00 62.32 H new ATOM 136 N THR A 11 -20.712 -2.123 10.755 1.00 63.33 N ATOM 137 CA THR A 11 -21.126 -2.016 9.362 1.00 62.21 C ATOM 138 C THR A 11 -21.525 -3.377 8.802 1.00 64.33 C ATOM 139 O THR A 11 -22.658 -3.568 8.358 1.00 71.25 O ATOM 140 CB THR A 11 -20.007 -1.422 8.487 1.00 60.45 C ATOM 141 OG1 THR A 11 -19.106 -0.658 9.296 1.00 61.42 O ATOM 142 CG2 THR A 11 -20.587 -0.539 7.393 1.00 31.01 C ATOM 0 H THR A 11 -20.040 -2.868 10.939 1.00 63.33 H new ATOM 0 HA THR A 11 -21.988 -1.349 9.339 1.00 62.21 H new ATOM 0 HB THR A 11 -19.466 -2.245 8.019 1.00 60.45 H new ATOM 0 HG1 THR A 11 -18.396 -0.285 8.732 1.00 61.42 H new ATOM 0 HG21 THR A 11 -19.778 -0.131 6.788 1.00 31.01 H new ATOM 0 HG22 THR A 11 -21.250 -1.130 6.761 1.00 31.01 H new ATOM 0 HG23 THR A 11 -21.150 0.278 7.845 1.00 31.01 H new ATOM 150 N SER A 12 -20.590 -4.320 8.827 1.00 1.33 N ATOM 151 CA SER A 12 -20.843 -5.663 8.318 1.00 61.41 C ATOM 152 C SER A 12 -19.611 -6.547 8.478 1.00 53.44 C ATOM 153 O SER A 12 -18.490 -6.126 8.189 1.00 13.10 O ATOM 154 CB SER A 12 -21.256 -5.604 6.846 1.00 43.04 C ATOM 155 OG SER A 12 -22.613 -5.977 6.682 1.00 12.34 O ATOM 0 H SER A 12 -19.649 -4.179 9.195 1.00 1.33 H new ATOM 0 HA SER A 12 -21.657 -6.097 8.899 1.00 61.41 H new ATOM 0 HB2 SER A 12 -21.104 -4.595 6.463 1.00 43.04 H new ATOM 0 HB3 SER A 12 -20.620 -6.267 6.260 1.00 43.04 H new ATOM 0 HG SER A 12 -23.186 -5.354 7.176 1.00 12.34 H new ATOM 161 N ASP A 13 -19.826 -7.774 8.941 1.00 52.55 N ATOM 162 CA ASP A 13 -18.732 -8.718 9.138 1.00 64.45 C ATOM 163 C ASP A 13 -18.875 -9.918 8.206 1.00 65.34 C ATOM 164 O ASP A 13 -19.925 -10.559 8.161 1.00 61.22 O ATOM 165 CB ASP A 13 -18.694 -9.188 10.594 1.00 3.05 C ATOM 166 CG ASP A 13 -20.079 -9.331 11.193 1.00 23.13 C ATOM 167 OD1 ASP A 13 -20.865 -10.156 10.680 1.00 44.13 O ATOM 168 OD2 ASP A 13 -20.377 -8.620 12.174 1.00 71.35 O ATOM 0 H ASP A 13 -20.747 -8.138 9.187 1.00 52.55 H new ATOM 0 HA ASP A 13 -17.797 -8.209 8.903 1.00 64.45 H new ATOM 0 HB2 ASP A 13 -18.177 -10.146 10.650 1.00 3.05 H new ATOM 0 HB3 ASP A 13 -18.117 -8.479 11.187 1.00 3.05 H new ATOM 173 N TRP A 14 -17.815 -10.213 7.465 1.00 54.31 N ATOM 174 CA TRP A 14 -17.823 -11.334 6.533 1.00 14.42 C ATOM 175 C TRP A 14 -16.907 -12.453 7.018 1.00 54.34 C ATOM 176 O TRP A 14 -15.754 -12.551 6.597 1.00 60.04 O ATOM 177 CB TRP A 14 -17.389 -10.871 5.141 1.00 11.22 C ATOM 178 CG TRP A 14 -16.185 -9.977 5.161 1.00 33.42 C ATOM 179 CD1 TRP A 14 -14.887 -10.346 4.950 1.00 51.01 C ATOM 180 CD2 TRP A 14 -16.169 -8.567 5.408 1.00 1.24 C ATOM 181 NE1 TRP A 14 -14.065 -9.249 5.050 1.00 20.12 N ATOM 182 CE2 TRP A 14 -14.827 -8.146 5.329 1.00 71.13 C ATOM 183 CE3 TRP A 14 -17.158 -7.619 5.683 1.00 73.44 C ATOM 184 CZ2 TRP A 14 -14.452 -6.818 5.520 1.00 30.43 C ATOM 185 CZ3 TRP A 14 -16.783 -6.302 5.873 1.00 4.32 C ATOM 186 CH2 TRP A 14 -15.440 -5.912 5.790 1.00 5.02 C ATOM 0 H TRP A 14 -16.939 -9.692 7.491 1.00 54.31 H new ATOM 0 HA TRP A 14 -18.841 -11.721 6.479 1.00 14.42 H new ATOM 0 HB2 TRP A 14 -17.174 -11.745 4.526 1.00 11.22 H new ATOM 0 HB3 TRP A 14 -18.217 -10.343 4.667 1.00 11.22 H new ATOM 0 HD1 TRP A 14 -14.555 -11.351 4.736 1.00 51.01 H new ATOM 0 HE1 TRP A 14 -13.052 -9.255 4.935 1.00 20.12 H new ATOM 0 HE3 TRP A 14 -18.196 -7.910 5.746 1.00 73.44 H new ATOM 0 HZ2 TRP A 14 -13.417 -6.515 5.457 1.00 30.43 H new ATOM 0 HZ3 TRP A 14 -17.538 -5.561 6.089 1.00 4.32 H new ATOM 0 HH2 TRP A 14 -15.180 -4.875 5.942 1.00 5.02 H new ATOM 197 N GLY A 15 -17.426 -13.294 7.907 1.00 31.30 N ATOM 198 CA GLY A 15 -16.640 -14.393 8.434 1.00 33.43 C ATOM 199 C GLY A 15 -15.590 -13.933 9.426 1.00 21.13 C ATOM 200 O GLY A 15 -15.827 -13.925 10.634 1.00 61.11 O ATOM 0 H GLY A 15 -18.377 -13.234 8.271 1.00 31.30 H new ATOM 0 HA2 GLY A 15 -17.303 -15.110 8.918 1.00 33.43 H new ATOM 0 HA3 GLY A 15 -16.153 -14.915 7.610 1.00 33.43 H new ATOM 204 N THR A 16 -14.424 -13.549 8.915 1.00 20.21 N ATOM 205 CA THR A 16 -13.333 -13.088 9.764 1.00 40.12 C ATOM 206 C THR A 16 -13.196 -11.571 9.707 1.00 63.14 C ATOM 207 O THR A 16 -12.568 -10.961 10.572 1.00 32.40 O ATOM 208 CB THR A 16 -11.993 -13.728 9.355 1.00 14.32 C ATOM 209 OG1 THR A 16 -10.947 -13.274 10.222 1.00 2.21 O ATOM 210 CG2 THR A 16 -11.648 -13.387 7.914 1.00 2.15 C ATOM 0 H THR A 16 -14.211 -13.548 7.917 1.00 20.21 H new ATOM 0 HA THR A 16 -13.576 -13.391 10.782 1.00 40.12 H new ATOM 0 HB THR A 16 -12.092 -14.810 9.442 1.00 14.32 H new ATOM 0 HG1 THR A 16 -11.116 -12.343 10.478 1.00 2.21 H new ATOM 0 HG21 THR A 16 -10.698 -13.850 7.648 1.00 2.15 H new ATOM 0 HG22 THR A 16 -12.431 -13.761 7.254 1.00 2.15 H new ATOM 0 HG23 THR A 16 -11.568 -12.305 7.805 1.00 2.15 H new ATOM 218 N GLY A 17 -13.790 -10.965 8.683 1.00 74.30 N ATOM 219 CA GLY A 17 -13.722 -9.524 8.533 1.00 12.32 C ATOM 220 C GLY A 17 -14.843 -8.812 9.264 1.00 41.33 C ATOM 221 O GLY A 17 -15.914 -9.380 9.479 1.00 33.15 O ATOM 0 H GLY A 17 -14.317 -11.447 7.955 1.00 74.30 H new ATOM 0 HA2 GLY A 17 -12.763 -9.167 8.909 1.00 12.32 H new ATOM 0 HA3 GLY A 17 -13.764 -9.270 7.474 1.00 12.32 H new ATOM 225 N PHE A 18 -14.597 -7.564 9.649 1.00 24.32 N ATOM 226 CA PHE A 18 -15.594 -6.774 10.363 1.00 72.24 C ATOM 227 C PHE A 18 -15.585 -5.326 9.883 1.00 65.34 C ATOM 228 O PHE A 18 -14.535 -4.770 9.570 1.00 14.42 O ATOM 229 CB PHE A 18 -15.333 -6.825 11.870 1.00 73.13 C ATOM 230 CG PHE A 18 -14.161 -5.991 12.304 1.00 51.53 C ATOM 231 CD1 PHE A 18 -14.325 -4.649 12.611 1.00 21.43 C ATOM 232 CD2 PHE A 18 -12.897 -6.548 12.405 1.00 12.41 C ATOM 233 CE1 PHE A 18 -13.249 -3.880 13.009 1.00 15.01 C ATOM 234 CE2 PHE A 18 -11.816 -5.783 12.803 1.00 21.51 C ATOM 235 CZ PHE A 18 -11.993 -4.447 13.107 1.00 12.41 C ATOM 0 H PHE A 18 -13.717 -7.078 9.479 1.00 24.32 H new ATOM 0 HA PHE A 18 -16.575 -7.201 10.157 1.00 72.24 H new ATOM 0 HB2 PHE A 18 -16.225 -6.486 12.397 1.00 73.13 H new ATOM 0 HB3 PHE A 18 -15.162 -7.860 12.166 1.00 73.13 H new ATOM 0 HD1 PHE A 18 -15.305 -4.200 12.538 1.00 21.43 H new ATOM 0 HD2 PHE A 18 -12.754 -7.592 12.170 1.00 12.41 H new ATOM 0 HE1 PHE A 18 -13.390 -2.835 13.244 1.00 15.01 H new ATOM 0 HE2 PHE A 18 -10.835 -6.229 12.876 1.00 21.51 H new ATOM 0 HZ PHE A 18 -11.151 -3.847 13.421 1.00 12.41 H new ATOM 245 N GLY A 19 -16.768 -4.720 9.829 1.00 2.31 N ATOM 246 CA GLY A 19 -16.876 -3.343 9.385 1.00 64.31 C ATOM 247 C GLY A 19 -16.981 -2.368 10.542 1.00 3.33 C ATOM 248 O GLY A 19 -17.830 -2.523 11.419 1.00 13.32 O ATOM 0 H GLY A 19 -17.653 -5.158 10.085 1.00 2.31 H new ATOM 0 HA2 GLY A 19 -16.006 -3.091 8.779 1.00 64.31 H new ATOM 0 HA3 GLY A 19 -17.752 -3.238 8.745 1.00 64.31 H new ATOM 252 N GLY A 20 -16.114 -1.359 10.544 1.00 24.43 N ATOM 253 CA GLY A 20 -16.128 -0.371 11.607 1.00 2.33 C ATOM 254 C GLY A 20 -16.644 0.976 11.139 1.00 34.31 C ATOM 255 O GLY A 20 -16.220 1.484 10.102 1.00 54.41 O ATOM 0 H GLY A 20 -15.403 -1.209 9.829 1.00 24.43 H new ATOM 0 HA2 GLY A 20 -16.751 -0.731 12.426 1.00 2.33 H new ATOM 0 HA3 GLY A 20 -15.119 -0.253 12.003 1.00 2.33 H new ATOM 259 N SER A 21 -17.562 1.555 11.906 1.00 20.24 N ATOM 260 CA SER A 21 -18.140 2.848 11.562 1.00 3.42 C ATOM 261 C SER A 21 -18.018 3.825 12.727 1.00 33.51 C ATOM 262 O SER A 21 -18.764 3.740 13.704 1.00 1.44 O ATOM 263 CB SER A 21 -19.611 2.685 11.170 1.00 51.13 C ATOM 264 OG SER A 21 -19.868 3.267 9.904 1.00 41.23 O ATOM 0 H SER A 21 -17.921 1.149 12.770 1.00 20.24 H new ATOM 0 HA SER A 21 -17.587 3.251 10.713 1.00 3.42 H new ATOM 0 HB2 SER A 21 -19.869 1.626 11.146 1.00 51.13 H new ATOM 0 HB3 SER A 21 -20.245 3.151 11.924 1.00 51.13 H new ATOM 0 HG SER A 21 -20.814 3.148 9.675 1.00 41.23 H new ATOM 270 N TRP A 22 -17.073 4.751 12.618 1.00 10.22 N ATOM 271 CA TRP A 22 -16.852 5.746 13.661 1.00 33.51 C ATOM 272 C TRP A 22 -17.658 7.011 13.388 1.00 34.21 C ATOM 273 O TRP A 22 -17.785 7.443 12.243 1.00 14.52 O ATOM 274 CB TRP A 22 -15.364 6.085 13.765 1.00 1.53 C ATOM 275 CG TRP A 22 -14.528 4.947 14.265 1.00 14.13 C ATOM 276 CD1 TRP A 22 -13.745 4.115 13.517 1.00 2.25 C ATOM 277 CD2 TRP A 22 -14.392 4.515 15.623 1.00 4.34 C ATOM 278 NE1 TRP A 22 -13.131 3.191 14.328 1.00 32.02 N ATOM 279 CE2 TRP A 22 -13.512 3.415 15.625 1.00 41.44 C ATOM 280 CE3 TRP A 22 -14.929 4.951 16.838 1.00 15.23 C ATOM 281 CZ2 TRP A 22 -13.157 2.749 16.795 1.00 0.13 C ATOM 282 CZ3 TRP A 22 -14.576 4.286 17.998 1.00 45.55 C ATOM 283 CH2 TRP A 22 -13.697 3.197 17.970 1.00 20.14 C ATOM 0 H TRP A 22 -16.447 4.834 11.817 1.00 10.22 H new ATOM 0 HA TRP A 22 -17.187 5.323 14.608 1.00 33.51 H new ATOM 0 HB2 TRP A 22 -14.999 6.391 12.784 1.00 1.53 H new ATOM 0 HB3 TRP A 22 -15.239 6.938 14.432 1.00 1.53 H new ATOM 0 HD1 TRP A 22 -13.626 4.174 12.445 1.00 2.25 H new ATOM 0 HE1 TRP A 22 -12.495 2.458 14.015 1.00 32.02 H new ATOM 0 HE3 TRP A 22 -15.607 5.791 16.870 1.00 15.23 H new ATOM 0 HZ2 TRP A 22 -12.479 1.908 16.776 1.00 0.13 H new ATOM 0 HZ3 TRP A 22 -14.986 4.613 18.942 1.00 45.55 H new ATOM 0 HH2 TRP A 22 -13.440 2.700 18.894 1.00 20.14 H new ATOM 294 N THR A 23 -18.201 7.602 14.448 1.00 30.32 N ATOM 295 CA THR A 23 -18.996 8.817 14.321 1.00 20.12 C ATOM 296 C THR A 23 -18.361 9.971 15.090 1.00 23.00 C ATOM 297 O THR A 23 -18.057 9.847 16.276 1.00 42.12 O ATOM 298 CB THR A 23 -20.433 8.604 14.832 1.00 61.51 C ATOM 299 OG1 THR A 23 -21.050 7.524 14.123 1.00 31.22 O ATOM 300 CG2 THR A 23 -21.261 9.868 14.660 1.00 65.21 C ATOM 0 H THR A 23 -18.105 7.259 15.404 1.00 30.32 H new ATOM 0 HA THR A 23 -19.029 9.064 13.260 1.00 20.12 H new ATOM 0 HB THR A 23 -20.385 8.361 15.894 1.00 61.51 H new ATOM 0 HG1 THR A 23 -21.963 7.394 14.455 1.00 31.22 H new ATOM 0 HG21 THR A 23 -22.272 9.693 15.028 1.00 65.21 H new ATOM 0 HG22 THR A 23 -20.805 10.681 15.224 1.00 65.21 H new ATOM 0 HG23 THR A 23 -21.300 10.136 13.604 1.00 65.21 H new ATOM 308 N VAL A 24 -18.164 11.093 14.406 1.00 10.23 N ATOM 309 CA VAL A 24 -17.567 12.270 15.024 1.00 50.04 C ATOM 310 C VAL A 24 -18.476 13.486 14.884 1.00 21.40 C ATOM 311 O VAL A 24 -18.977 13.780 13.797 1.00 74.13 O ATOM 312 CB VAL A 24 -16.195 12.595 14.405 1.00 41.51 C ATOM 313 CG1 VAL A 24 -15.501 13.697 15.191 1.00 45.13 C ATOM 314 CG2 VAL A 24 -15.328 11.346 14.345 1.00 45.10 C ATOM 0 H VAL A 24 -18.409 11.212 13.423 1.00 10.23 H new ATOM 0 HA VAL A 24 -17.435 12.039 16.081 1.00 50.04 H new ATOM 0 HB VAL A 24 -16.351 12.951 13.387 1.00 41.51 H new ATOM 0 HG11 VAL A 24 -14.533 13.913 14.738 1.00 45.13 H new ATOM 0 HG12 VAL A 24 -16.116 14.597 15.177 1.00 45.13 H new ATOM 0 HG13 VAL A 24 -15.355 13.373 16.221 1.00 45.13 H new ATOM 0 HG21 VAL A 24 -14.362 11.594 13.905 1.00 45.10 H new ATOM 0 HG22 VAL A 24 -15.179 10.958 15.353 1.00 45.10 H new ATOM 0 HG23 VAL A 24 -15.821 10.590 13.735 1.00 45.10 H new ATOM 324 N LYS A 25 -18.687 14.191 15.990 1.00 62.53 N ATOM 325 CA LYS A 25 -19.536 15.377 15.992 1.00 41.23 C ATOM 326 C LYS A 25 -18.990 16.435 16.946 1.00 52.23 C ATOM 327 O LYS A 25 -18.878 16.201 18.149 1.00 14.35 O ATOM 328 CB LYS A 25 -20.966 15.006 16.390 1.00 12.42 C ATOM 329 CG LYS A 25 -21.964 16.134 16.193 1.00 14.12 C ATOM 330 CD LYS A 25 -22.796 16.367 17.443 1.00 34.12 C ATOM 331 CE LYS A 25 -23.867 15.300 17.607 1.00 35.14 C ATOM 332 NZ LYS A 25 -25.033 15.799 18.387 1.00 11.33 N ATOM 0 H LYS A 25 -18.282 13.962 16.897 1.00 62.53 H new ATOM 0 HA LYS A 25 -19.542 15.790 14.983 1.00 41.23 H new ATOM 0 HB2 LYS A 25 -21.285 14.144 15.805 1.00 12.42 H new ATOM 0 HB3 LYS A 25 -20.976 14.702 17.437 1.00 12.42 H new ATOM 0 HG2 LYS A 25 -21.433 17.050 15.932 1.00 14.12 H new ATOM 0 HG3 LYS A 25 -22.621 15.898 15.356 1.00 14.12 H new ATOM 0 HD2 LYS A 25 -22.146 16.369 18.318 1.00 34.12 H new ATOM 0 HD3 LYS A 25 -23.265 17.350 17.391 1.00 34.12 H new ATOM 0 HE2 LYS A 25 -24.203 14.968 16.624 1.00 35.14 H new ATOM 0 HE3 LYS A 25 -23.440 14.431 18.108 1.00 35.14 H new ATOM 0 HZ1 LYS A 25 -25.740 15.042 18.476 1.00 11.33 H new ATOM 0 HZ2 LYS A 25 -24.718 16.092 19.334 1.00 11.33 H new ATOM 0 HZ3 LYS A 25 -25.456 16.612 17.896 1.00 11.33 H new ATOM 346 N ASN A 26 -18.654 17.600 16.401 1.00 12.10 N ATOM 347 CA ASN A 26 -18.120 18.694 17.204 1.00 64.03 C ATOM 348 C ASN A 26 -19.110 19.853 17.270 1.00 63.21 C ATOM 349 O ASN A 26 -19.664 20.270 16.253 1.00 62.02 O ATOM 350 CB ASN A 26 -16.789 19.178 16.627 1.00 5.44 C ATOM 351 CG ASN A 26 -15.765 18.065 16.524 1.00 15.13 C ATOM 352 OD1 ASN A 26 -14.996 17.825 17.456 1.00 0.13 O ATOM 353 ND2 ASN A 26 -15.749 17.378 15.386 1.00 74.24 N ATOM 0 H ASN A 26 -18.742 17.811 15.407 1.00 12.10 H new ATOM 0 HA ASN A 26 -17.955 18.321 18.215 1.00 64.03 H new ATOM 0 HB2 ASN A 26 -16.958 19.605 15.638 1.00 5.44 H new ATOM 0 HB3 ASN A 26 -16.393 19.976 17.255 1.00 5.44 H new ATOM 0 HD21 ASN A 26 -15.081 16.618 15.259 1.00 74.24 H new ATOM 0 HD22 ASN A 26 -16.405 17.611 14.640 1.00 74.24 H new ATOM 360 N THR A 27 -19.327 20.371 18.476 1.00 5.33 N ATOM 361 CA THR A 27 -20.251 21.481 18.675 1.00 12.43 C ATOM 362 C THR A 27 -20.184 22.000 20.106 1.00 43.04 C ATOM 363 O THR A 27 -20.276 21.230 21.062 1.00 51.41 O ATOM 364 CB THR A 27 -21.700 21.071 18.356 1.00 61.22 C ATOM 365 OG1 THR A 27 -22.581 22.181 18.563 1.00 40.44 O ATOM 366 CG2 THR A 27 -22.136 19.902 19.228 1.00 3.21 C ATOM 0 H THR A 27 -18.876 20.040 19.329 1.00 5.33 H new ATOM 0 HA THR A 27 -19.948 22.272 17.989 1.00 12.43 H new ATOM 0 HB THR A 27 -21.745 20.762 17.312 1.00 61.22 H new ATOM 0 HG1 THR A 27 -23.500 21.912 18.356 1.00 40.44 H new ATOM 0 HG21 THR A 27 -23.163 19.630 18.985 1.00 3.21 H new ATOM 0 HG22 THR A 27 -21.482 19.049 19.047 1.00 3.21 H new ATOM 0 HG23 THR A 27 -22.076 20.189 20.278 1.00 3.21 H new ATOM 374 N GLY A 28 -20.025 23.313 20.248 1.00 21.30 N ATOM 375 CA GLY A 28 -19.951 23.913 21.568 1.00 34.42 C ATOM 376 C GLY A 28 -18.585 24.503 21.860 1.00 61.23 C ATOM 377 O GLY A 28 -18.439 25.341 22.749 1.00 62.55 O ATOM 0 H GLY A 28 -19.946 23.971 19.473 1.00 21.30 H new ATOM 0 HA2 GLY A 28 -20.706 24.694 21.652 1.00 34.42 H new ATOM 0 HA3 GLY A 28 -20.187 23.160 22.320 1.00 34.42 H new ATOM 381 N THR A 29 -17.580 24.063 21.110 1.00 53.54 N ATOM 382 CA THR A 29 -16.218 24.550 21.294 1.00 50.15 C ATOM 383 C THR A 29 -15.874 25.622 20.265 1.00 73.51 C ATOM 384 O THR A 29 -16.678 25.937 19.387 1.00 34.53 O ATOM 385 CB THR A 29 -15.192 23.406 21.190 1.00 64.50 C ATOM 386 OG1 THR A 29 -15.870 22.157 21.011 1.00 34.34 O ATOM 387 CG2 THR A 29 -14.324 23.343 22.436 1.00 54.03 C ATOM 0 H THR A 29 -17.683 23.370 20.369 1.00 53.54 H new ATOM 0 HA THR A 29 -16.169 24.981 22.294 1.00 50.15 H new ATOM 0 HB THR A 29 -14.551 23.599 20.330 1.00 64.50 H new ATOM 0 HG1 THR A 29 -15.212 21.434 20.944 1.00 34.34 H new ATOM 0 HG21 THR A 29 -13.607 22.527 22.339 1.00 54.03 H new ATOM 0 HG22 THR A 29 -13.788 24.285 22.554 1.00 54.03 H new ATOM 0 HG23 THR A 29 -14.953 23.171 23.309 1.00 54.03 H new ATOM 395 N THR A 30 -14.672 26.180 20.379 1.00 1.15 N ATOM 396 CA THR A 30 -14.221 27.215 19.459 1.00 44.23 C ATOM 397 C THR A 30 -14.010 26.653 18.058 1.00 13.52 C ATOM 398 O THR A 30 -14.125 25.448 17.839 1.00 53.20 O ATOM 399 CB THR A 30 -12.911 27.865 19.942 1.00 32.22 C ATOM 400 OG1 THR A 30 -12.614 29.020 19.149 1.00 61.20 O ATOM 401 CG2 THR A 30 -11.756 26.878 19.861 1.00 31.21 C ATOM 0 H THR A 30 -13.994 25.932 21.100 1.00 1.15 H new ATOM 0 HA THR A 30 -15.004 27.973 19.429 1.00 44.23 H new ATOM 0 HB THR A 30 -13.042 28.164 20.982 1.00 32.22 H new ATOM 0 HG1 THR A 30 -11.780 29.428 19.464 1.00 61.20 H new ATOM 0 HG21 THR A 30 -10.841 27.359 20.207 1.00 31.21 H new ATOM 0 HG22 THR A 30 -11.971 26.014 20.489 1.00 31.21 H new ATOM 0 HG23 THR A 30 -11.627 26.553 18.829 1.00 31.21 H new ATOM 409 N SER A 31 -13.700 27.535 17.112 1.00 75.41 N ATOM 410 CA SER A 31 -13.475 27.126 15.730 1.00 32.41 C ATOM 411 C SER A 31 -12.468 25.982 15.660 1.00 55.51 C ATOM 412 O SER A 31 -11.316 26.126 16.071 1.00 43.44 O ATOM 413 CB SER A 31 -12.978 28.310 14.900 1.00 54.33 C ATOM 414 OG SER A 31 -12.720 27.923 13.561 1.00 74.14 O ATOM 0 H SER A 31 -13.599 28.536 17.277 1.00 75.41 H new ATOM 0 HA SER A 31 -14.423 26.778 15.321 1.00 32.41 H new ATOM 0 HB2 SER A 31 -13.722 29.106 14.915 1.00 54.33 H new ATOM 0 HB3 SER A 31 -12.070 28.715 15.346 1.00 54.33 H new ATOM 0 HG SER A 31 -12.405 28.698 13.051 1.00 74.14 H new ATOM 420 N LEU A 32 -12.910 24.844 15.136 1.00 41.41 N ATOM 421 CA LEU A 32 -12.049 23.674 15.010 1.00 53.10 C ATOM 422 C LEU A 32 -11.161 23.782 13.775 1.00 12.22 C ATOM 423 O LEU A 32 -11.177 24.792 13.072 1.00 55.32 O ATOM 424 CB LEU A 32 -12.893 22.400 14.935 1.00 44.42 C ATOM 425 CG LEU A 32 -12.740 21.424 16.103 1.00 5.41 C ATOM 426 CD1 LEU A 32 -13.473 21.942 17.330 1.00 22.41 C ATOM 427 CD2 LEU A 32 -13.252 20.045 15.715 1.00 11.15 C ATOM 0 H LEU A 32 -13.860 24.707 14.791 1.00 41.41 H new ATOM 0 HA LEU A 32 -11.410 23.628 15.892 1.00 53.10 H new ATOM 0 HB2 LEU A 32 -13.942 22.687 14.862 1.00 44.42 H new ATOM 0 HB3 LEU A 32 -12.641 21.875 14.013 1.00 44.42 H new ATOM 0 HG LEU A 32 -11.681 21.341 16.347 1.00 5.41 H new ATOM 0 HD11 LEU A 32 -13.353 21.235 18.151 1.00 22.41 H new ATOM 0 HD12 LEU A 32 -13.060 22.908 17.620 1.00 22.41 H new ATOM 0 HD13 LEU A 32 -14.532 22.055 17.100 1.00 22.41 H new ATOM 0 HD21 LEU A 32 -13.136 19.363 16.558 1.00 11.15 H new ATOM 0 HD22 LEU A 32 -14.306 20.111 15.445 1.00 11.15 H new ATOM 0 HD23 LEU A 32 -12.682 19.671 14.864 1.00 11.15 H new ATOM 439 N SER A 33 -10.388 22.732 13.514 1.00 4.35 N ATOM 440 CA SER A 33 -9.492 22.708 12.364 1.00 52.44 C ATOM 441 C SER A 33 -9.442 21.316 11.741 1.00 63.34 C ATOM 442 O SER A 33 -9.665 21.152 10.542 1.00 42.54 O ATOM 443 CB SER A 33 -8.085 23.145 12.778 1.00 33.21 C ATOM 444 OG SER A 33 -7.781 22.708 14.092 1.00 4.20 O ATOM 0 H SER A 33 -10.365 21.886 14.084 1.00 4.35 H new ATOM 0 HA SER A 33 -9.878 23.405 11.620 1.00 52.44 H new ATOM 0 HB2 SER A 33 -7.354 22.739 12.078 1.00 33.21 H new ATOM 0 HB3 SER A 33 -8.008 24.231 12.726 1.00 33.21 H new ATOM 0 HG SER A 33 -6.876 22.998 14.332 1.00 4.20 H new ATOM 450 N SER A 34 -9.148 20.316 12.566 1.00 50.24 N ATOM 451 CA SER A 34 -9.064 18.938 12.098 1.00 4.35 C ATOM 452 C SER A 34 -9.392 17.962 13.222 1.00 32.24 C ATOM 453 O SER A 34 -9.108 18.225 14.391 1.00 4.55 O ATOM 454 CB SER A 34 -7.668 18.648 11.546 1.00 13.42 C ATOM 455 OG SER A 34 -7.326 17.284 11.715 1.00 74.24 O ATOM 0 H SER A 34 -8.964 20.435 13.562 1.00 50.24 H new ATOM 0 HA SER A 34 -9.796 18.806 11.301 1.00 4.35 H new ATOM 0 HB2 SER A 34 -7.631 18.907 10.488 1.00 13.42 H new ATOM 0 HB3 SER A 34 -6.935 19.275 12.054 1.00 13.42 H new ATOM 0 HG SER A 34 -6.430 17.124 11.353 1.00 74.24 H new ATOM 461 N TRP A 35 -9.992 16.833 12.861 1.00 5.43 N ATOM 462 CA TRP A 35 -10.359 15.815 13.839 1.00 4.22 C ATOM 463 C TRP A 35 -9.491 14.572 13.682 1.00 62.42 C ATOM 464 O TRP A 35 -9.389 14.005 12.594 1.00 31.12 O ATOM 465 CB TRP A 35 -11.836 15.444 13.689 1.00 40.11 C ATOM 466 CG TRP A 35 -12.228 15.127 12.277 1.00 70.44 C ATOM 467 CD1 TRP A 35 -12.597 16.018 11.310 1.00 31.12 C ATOM 468 CD2 TRP A 35 -12.292 13.829 11.677 1.00 42.22 C ATOM 469 NE1 TRP A 35 -12.887 15.351 10.144 1.00 42.14 N ATOM 470 CE2 TRP A 35 -12.707 14.008 10.342 1.00 71.54 C ATOM 471 CE3 TRP A 35 -12.038 12.533 12.135 1.00 42.34 C ATOM 472 CZ2 TRP A 35 -12.873 12.940 9.465 1.00 22.51 C ATOM 473 CZ3 TRP A 35 -12.204 11.474 11.263 1.00 41.33 C ATOM 474 CH2 TRP A 35 -12.618 11.682 9.940 1.00 74.11 C ATOM 0 H TRP A 35 -10.235 16.600 11.898 1.00 5.43 H new ATOM 0 HA TRP A 35 -10.194 16.226 14.835 1.00 4.22 H new ATOM 0 HB2 TRP A 35 -12.053 14.583 14.321 1.00 40.11 H new ATOM 0 HB3 TRP A 35 -12.449 16.269 14.052 1.00 40.11 H new ATOM 0 HD1 TRP A 35 -12.653 17.088 11.442 1.00 31.12 H new ATOM 0 HE1 TRP A 35 -13.188 15.786 9.272 1.00 42.14 H new ATOM 0 HE3 TRP A 35 -11.718 12.362 13.152 1.00 42.34 H new ATOM 0 HZ2 TRP A 35 -13.192 13.098 8.445 1.00 22.51 H new ATOM 0 HZ3 TRP A 35 -12.011 10.468 11.607 1.00 41.33 H new ATOM 0 HH2 TRP A 35 -12.738 10.833 9.283 1.00 74.11 H new ATOM 485 N THR A 36 -8.866 14.150 14.777 1.00 61.33 N ATOM 486 CA THR A 36 -8.005 12.975 14.762 1.00 22.30 C ATOM 487 C THR A 36 -8.528 11.898 15.705 1.00 21.15 C ATOM 488 O THR A 36 -8.459 12.040 16.926 1.00 1.41 O ATOM 489 CB THR A 36 -6.560 13.330 15.159 1.00 63.14 C ATOM 490 OG1 THR A 36 -6.146 14.523 14.484 1.00 53.51 O ATOM 491 CG2 THR A 36 -5.610 12.193 14.818 1.00 55.21 C ATOM 0 H THR A 36 -8.941 14.606 15.686 1.00 61.33 H new ATOM 0 HA THR A 36 -8.010 12.594 13.741 1.00 22.30 H new ATOM 0 HB THR A 36 -6.533 13.494 16.236 1.00 63.14 H new ATOM 0 HG1 THR A 36 -5.227 14.743 14.743 1.00 53.51 H new ATOM 0 HG21 THR A 36 -4.596 12.467 15.108 1.00 55.21 H new ATOM 0 HG22 THR A 36 -5.911 11.294 15.356 1.00 55.21 H new ATOM 0 HG23 THR A 36 -5.642 12.002 13.745 1.00 55.21 H new ATOM 499 N VAL A 37 -9.052 10.818 15.132 1.00 4.22 N ATOM 500 CA VAL A 37 -9.586 9.715 15.922 1.00 14.41 C ATOM 501 C VAL A 37 -8.600 8.554 15.981 1.00 2.41 C ATOM 502 O VAL A 37 -8.376 7.867 14.984 1.00 53.10 O ATOM 503 CB VAL A 37 -10.924 9.211 15.348 1.00 74.31 C ATOM 504 CG1 VAL A 37 -10.785 8.895 13.867 1.00 34.34 C ATOM 505 CG2 VAL A 37 -11.406 7.991 16.120 1.00 43.32 C ATOM 0 H VAL A 37 -9.118 10.684 14.123 1.00 4.22 H new ATOM 0 HA VAL A 37 -9.752 10.097 16.929 1.00 14.41 H new ATOM 0 HB VAL A 37 -11.668 10.000 15.457 1.00 74.31 H new ATOM 0 HG11 VAL A 37 -11.740 8.540 13.479 1.00 34.34 H new ATOM 0 HG12 VAL A 37 -10.487 9.795 13.329 1.00 34.34 H new ATOM 0 HG13 VAL A 37 -10.028 8.123 13.729 1.00 34.34 H new ATOM 0 HG21 VAL A 37 -12.352 7.647 15.703 1.00 43.32 H new ATOM 0 HG22 VAL A 37 -10.665 7.196 16.043 1.00 43.32 H new ATOM 0 HG23 VAL A 37 -11.547 8.256 17.168 1.00 43.32 H new ATOM 515 N GLU A 38 -8.015 8.340 17.155 1.00 11.40 N ATOM 516 CA GLU A 38 -7.052 7.261 17.343 1.00 44.44 C ATOM 517 C GLU A 38 -7.371 6.461 18.602 1.00 54.11 C ATOM 518 O GLU A 38 -7.691 7.029 19.646 1.00 32.41 O ATOM 519 CB GLU A 38 -5.632 7.825 17.429 1.00 22.13 C ATOM 520 CG GLU A 38 -5.317 8.478 18.763 1.00 72.24 C ATOM 521 CD GLU A 38 -6.200 9.676 19.050 1.00 0.40 C ATOM 522 OE1 GLU A 38 -6.274 10.578 18.190 1.00 45.34 O ATOM 523 OE2 GLU A 38 -6.819 9.711 20.135 1.00 1.32 O ATOM 0 H GLU A 38 -8.191 8.899 17.990 1.00 11.40 H new ATOM 0 HA GLU A 38 -7.119 6.594 16.483 1.00 44.44 H new ATOM 0 HB2 GLU A 38 -4.919 7.020 17.251 1.00 22.13 H new ATOM 0 HB3 GLU A 38 -5.492 8.557 16.634 1.00 22.13 H new ATOM 0 HG2 GLU A 38 -5.437 7.744 19.560 1.00 72.24 H new ATOM 0 HG3 GLU A 38 -4.273 8.791 18.772 1.00 72.24 H new ATOM 530 N TRP A 39 -7.282 5.140 18.495 1.00 43.52 N ATOM 531 CA TRP A 39 -7.561 4.261 19.623 1.00 61.44 C ATOM 532 C TRP A 39 -6.500 3.173 19.743 1.00 23.23 C ATOM 533 O TRP A 39 -5.645 3.028 18.868 1.00 44.24 O ATOM 534 CB TRP A 39 -8.945 3.627 19.473 1.00 20.14 C ATOM 535 CG TRP A 39 -9.653 4.039 18.217 1.00 61.24 C ATOM 536 CD1 TRP A 39 -10.750 4.847 18.124 1.00 12.22 C ATOM 537 CD2 TRP A 39 -9.315 3.661 16.879 1.00 54.10 C ATOM 538 NE1 TRP A 39 -11.114 4.994 16.807 1.00 3.44 N ATOM 539 CE2 TRP A 39 -10.248 4.277 16.023 1.00 25.53 C ATOM 540 CE3 TRP A 39 -8.313 2.863 16.320 1.00 20.13 C ATOM 541 CZ2 TRP A 39 -10.209 4.119 14.640 1.00 71.22 C ATOM 542 CZ3 TRP A 39 -8.275 2.707 14.947 1.00 33.12 C ATOM 543 CH2 TRP A 39 -9.217 3.332 14.119 1.00 72.42 C ATOM 0 H TRP A 39 -7.019 4.655 17.638 1.00 43.52 H new ATOM 0 HA TRP A 39 -7.541 4.862 20.532 1.00 61.44 H new ATOM 0 HB2 TRP A 39 -8.843 2.542 19.485 1.00 20.14 H new ATOM 0 HB3 TRP A 39 -9.557 3.899 20.333 1.00 20.14 H new ATOM 0 HD1 TRP A 39 -11.257 5.303 18.962 1.00 12.22 H new ATOM 0 HE1 TRP A 39 -11.901 5.547 16.468 1.00 3.44 H new ATOM 0 HE3 TRP A 39 -7.582 2.377 16.949 1.00 20.13 H new ATOM 0 HZ2 TRP A 39 -10.935 4.600 14.001 1.00 71.22 H new ATOM 0 HZ3 TRP A 39 -7.505 2.092 14.504 1.00 33.12 H new ATOM 0 HH2 TRP A 39 -9.160 3.190 13.050 1.00 72.42 H new ATOM 554 N ASP A 40 -6.560 2.410 20.828 1.00 60.34 N ATOM 555 CA ASP A 40 -5.604 1.334 21.060 1.00 75.44 C ATOM 556 C ASP A 40 -6.186 -0.010 20.636 1.00 35.24 C ATOM 557 O ASP A 40 -7.305 -0.361 21.011 1.00 11.41 O ATOM 558 CB ASP A 40 -5.203 1.288 22.536 1.00 20.44 C ATOM 559 CG ASP A 40 -3.885 0.573 22.756 1.00 52.53 C ATOM 560 OD1 ASP A 40 -3.808 -0.638 22.461 1.00 24.31 O ATOM 561 OD2 ASP A 40 -2.928 1.225 23.223 1.00 42.42 O ATOM 0 H ASP A 40 -7.261 2.517 21.561 1.00 60.34 H new ATOM 0 HA ASP A 40 -4.718 1.532 20.457 1.00 75.44 H new ATOM 0 HB2 ASP A 40 -5.130 2.305 22.921 1.00 20.44 H new ATOM 0 HB3 ASP A 40 -5.985 0.786 23.106 1.00 20.44 H new ATOM 566 N PHE A 41 -5.419 -0.760 19.851 1.00 11.12 N ATOM 567 CA PHE A 41 -5.859 -2.066 19.372 1.00 71.32 C ATOM 568 C PHE A 41 -5.036 -3.182 20.007 1.00 20.14 C ATOM 569 O PHE A 41 -4.107 -3.722 19.406 1.00 51.25 O ATOM 570 CB PHE A 41 -5.748 -2.138 17.848 1.00 71.41 C ATOM 571 CG PHE A 41 -7.045 -1.866 17.140 1.00 12.24 C ATOM 572 CD1 PHE A 41 -8.186 -2.585 17.455 1.00 71.52 C ATOM 573 CD2 PHE A 41 -7.121 -0.892 16.158 1.00 64.33 C ATOM 574 CE1 PHE A 41 -9.380 -2.338 16.805 1.00 40.32 C ATOM 575 CE2 PHE A 41 -8.313 -0.639 15.504 1.00 55.43 C ATOM 576 CZ PHE A 41 -9.443 -1.362 15.828 1.00 25.15 C ATOM 0 H PHE A 41 -4.489 -0.486 19.533 1.00 11.12 H new ATOM 0 HA PHE A 41 -6.902 -2.199 19.659 1.00 71.32 H new ATOM 0 HB2 PHE A 41 -5.001 -1.419 17.511 1.00 71.41 H new ATOM 0 HB3 PHE A 41 -5.388 -3.127 17.564 1.00 71.41 H new ATOM 0 HD1 PHE A 41 -8.142 -3.348 18.218 1.00 71.52 H new ATOM 0 HD2 PHE A 41 -6.239 -0.324 15.900 1.00 64.33 H new ATOM 0 HE1 PHE A 41 -10.262 -2.906 17.060 1.00 40.32 H new ATOM 0 HE2 PHE A 41 -8.360 0.124 14.741 1.00 55.43 H new ATOM 0 HZ PHE A 41 -10.375 -1.166 15.319 1.00 25.15 H new ATOM 586 N PRO A 42 -5.385 -3.540 21.252 1.00 43.00 N ATOM 587 CA PRO A 42 -4.692 -4.596 21.997 1.00 44.53 C ATOM 588 C PRO A 42 -4.958 -5.982 21.420 1.00 11.33 C ATOM 589 O PRO A 42 -4.031 -6.762 21.196 1.00 41.34 O ATOM 590 CB PRO A 42 -5.280 -4.481 23.405 1.00 71.22 C ATOM 591 CG PRO A 42 -6.622 -3.865 23.206 1.00 61.43 C ATOM 592 CD PRO A 42 -6.483 -2.941 22.029 1.00 52.20 C ATOM 0 HA PRO A 42 -3.609 -4.477 21.962 1.00 44.53 H new ATOM 0 HB2 PRO A 42 -5.360 -5.458 23.882 1.00 71.22 H new ATOM 0 HB3 PRO A 42 -4.652 -3.863 24.047 1.00 71.22 H new ATOM 0 HG2 PRO A 42 -7.377 -4.628 23.016 1.00 61.43 H new ATOM 0 HG3 PRO A 42 -6.937 -3.319 24.096 1.00 61.43 H new ATOM 0 HD2 PRO A 42 -7.404 -2.889 21.448 1.00 52.20 H new ATOM 0 HD3 PRO A 42 -6.245 -1.924 22.342 1.00 52.20 H new ATOM 600 N THR A 43 -6.230 -6.283 21.179 1.00 31.55 N ATOM 601 CA THR A 43 -6.617 -7.577 20.629 1.00 44.53 C ATOM 602 C THR A 43 -6.280 -7.666 19.145 1.00 13.21 C ATOM 603 O THR A 43 -6.372 -6.679 18.417 1.00 41.41 O ATOM 604 CB THR A 43 -8.124 -7.839 20.818 1.00 42.43 C ATOM 605 OG1 THR A 43 -8.868 -6.653 20.515 1.00 23.02 O ATOM 606 CG2 THR A 43 -8.422 -8.281 22.242 1.00 53.45 C ATOM 0 H THR A 43 -7.009 -5.649 21.356 1.00 31.55 H new ATOM 0 HA THR A 43 -6.052 -8.334 21.173 1.00 44.53 H new ATOM 0 HB THR A 43 -8.420 -8.638 20.138 1.00 42.43 H new ATOM 0 HG1 THR A 43 -9.825 -6.827 20.636 1.00 23.02 H new ATOM 0 HG21 THR A 43 -9.492 -8.460 22.351 1.00 53.45 H new ATOM 0 HG22 THR A 43 -7.876 -9.199 22.460 1.00 53.45 H new ATOM 0 HG23 THR A 43 -8.112 -7.501 22.937 1.00 53.45 H new ATOM 614 N GLY A 44 -5.889 -8.857 18.703 1.00 0.14 N ATOM 615 CA GLY A 44 -5.543 -9.053 17.306 1.00 64.31 C ATOM 616 C GLY A 44 -6.517 -8.369 16.368 1.00 3.35 C ATOM 617 O GLY A 44 -7.569 -8.920 16.042 1.00 0.43 O ATOM 0 H GLY A 44 -5.805 -9.690 19.286 1.00 0.14 H new ATOM 0 HA2 GLY A 44 -4.539 -8.669 17.126 1.00 64.31 H new ATOM 0 HA3 GLY A 44 -5.520 -10.120 17.086 1.00 64.31 H new ATOM 621 N THR A 45 -6.168 -7.163 15.931 1.00 2.31 N ATOM 622 CA THR A 45 -7.020 -6.401 15.026 1.00 0.23 C ATOM 623 C THR A 45 -6.209 -5.375 14.241 1.00 62.41 C ATOM 624 O THR A 45 -5.335 -4.705 14.793 1.00 24.34 O ATOM 625 CB THR A 45 -8.144 -5.676 15.789 1.00 75.12 C ATOM 626 OG1 THR A 45 -8.983 -6.631 16.449 1.00 22.23 O ATOM 627 CG2 THR A 45 -8.980 -4.827 14.843 1.00 22.14 C ATOM 0 H THR A 45 -5.301 -6.693 16.189 1.00 2.31 H new ATOM 0 HA THR A 45 -7.465 -7.116 14.333 1.00 0.23 H new ATOM 0 HB THR A 45 -7.686 -5.021 16.531 1.00 75.12 H new ATOM 0 HG1 THR A 45 -9.694 -6.162 16.933 1.00 22.23 H new ATOM 0 HG21 THR A 45 -9.768 -4.325 15.405 1.00 22.14 H new ATOM 0 HG22 THR A 45 -8.344 -4.082 14.364 1.00 22.14 H new ATOM 0 HG23 THR A 45 -9.428 -5.465 14.081 1.00 22.14 H new ATOM 635 N LYS A 46 -6.505 -5.256 12.951 1.00 64.03 N ATOM 636 CA LYS A 46 -5.806 -4.310 12.090 1.00 43.34 C ATOM 637 C LYS A 46 -6.701 -3.858 10.940 1.00 40.40 C ATOM 638 O LYS A 46 -7.315 -4.678 10.258 1.00 52.31 O ATOM 639 CB LYS A 46 -4.526 -4.940 11.537 1.00 20.24 C ATOM 640 CG LYS A 46 -3.583 -5.447 12.615 1.00 3.21 C ATOM 641 CD LYS A 46 -2.195 -5.714 12.060 1.00 12.43 C ATOM 642 CE LYS A 46 -1.250 -6.218 13.141 1.00 0.54 C ATOM 643 NZ LYS A 46 0.048 -6.676 12.573 1.00 31.11 N ATOM 0 H LYS A 46 -7.225 -5.803 12.479 1.00 64.03 H new ATOM 0 HA LYS A 46 -5.544 -3.438 12.689 1.00 43.34 H new ATOM 0 HB2 LYS A 46 -4.793 -5.768 10.881 1.00 20.24 H new ATOM 0 HB3 LYS A 46 -4.004 -4.204 10.926 1.00 20.24 H new ATOM 0 HG2 LYS A 46 -3.520 -4.713 13.419 1.00 3.21 H new ATOM 0 HG3 LYS A 46 -3.984 -6.362 13.050 1.00 3.21 H new ATOM 0 HD2 LYS A 46 -2.258 -6.450 11.258 1.00 12.43 H new ATOM 0 HD3 LYS A 46 -1.795 -4.799 11.623 1.00 12.43 H new ATOM 0 HE2 LYS A 46 -1.069 -5.423 13.865 1.00 0.54 H new ATOM 0 HE3 LYS A 46 -1.721 -7.040 13.681 1.00 0.54 H new ATOM 0 HZ1 LYS A 46 0.664 -7.012 13.341 1.00 31.11 H new ATOM 0 HZ2 LYS A 46 -0.121 -7.451 11.901 1.00 31.11 H new ATOM 0 HZ3 LYS A 46 0.509 -5.885 12.080 1.00 31.11 H new ATOM 657 N VAL A 47 -6.768 -2.546 10.729 1.00 32.14 N ATOM 658 CA VAL A 47 -7.585 -1.986 9.660 1.00 11.52 C ATOM 659 C VAL A 47 -6.963 -2.254 8.294 1.00 21.04 C ATOM 660 O VAL A 47 -6.003 -1.594 7.895 1.00 73.43 O ATOM 661 CB VAL A 47 -7.774 -0.467 9.835 1.00 62.41 C ATOM 662 CG1 VAL A 47 -8.566 0.111 8.673 1.00 65.12 C ATOM 663 CG2 VAL A 47 -8.459 -0.166 11.160 1.00 1.05 C ATOM 0 H VAL A 47 -6.266 -1.853 11.284 1.00 32.14 H new ATOM 0 HA VAL A 47 -8.557 -2.476 9.716 1.00 11.52 H new ATOM 0 HB VAL A 47 -6.792 0.005 9.843 1.00 62.41 H new ATOM 0 HG11 VAL A 47 -8.689 1.185 8.815 1.00 65.12 H new ATOM 0 HG12 VAL A 47 -8.031 -0.073 7.741 1.00 65.12 H new ATOM 0 HG13 VAL A 47 -9.546 -0.364 8.629 1.00 65.12 H new ATOM 0 HG21 VAL A 47 -8.585 0.911 11.268 1.00 1.05 H new ATOM 0 HG22 VAL A 47 -9.436 -0.650 11.183 1.00 1.05 H new ATOM 0 HG23 VAL A 47 -7.848 -0.544 11.980 1.00 1.05 H new ATOM 673 N THR A 48 -7.517 -3.228 7.579 1.00 12.11 N ATOM 674 CA THR A 48 -7.016 -3.586 6.258 1.00 41.53 C ATOM 675 C THR A 48 -7.164 -2.424 5.281 1.00 31.44 C ATOM 676 O THR A 48 -6.231 -2.094 4.550 1.00 3.42 O ATOM 677 CB THR A 48 -7.753 -4.815 5.691 1.00 73.21 C ATOM 678 OG1 THR A 48 -7.545 -5.946 6.544 1.00 15.41 O ATOM 679 CG2 THR A 48 -7.268 -5.136 4.286 1.00 14.14 C ATOM 0 H THR A 48 -8.313 -3.783 7.893 1.00 12.11 H new ATOM 0 HA THR A 48 -5.960 -3.827 6.375 1.00 41.53 H new ATOM 0 HB THR A 48 -8.818 -4.585 5.646 1.00 73.21 H new ATOM 0 HG1 THR A 48 -8.018 -6.723 6.178 1.00 15.41 H new ATOM 0 HG21 THR A 48 -7.802 -6.007 3.907 1.00 14.14 H new ATOM 0 HG22 THR A 48 -7.454 -4.283 3.633 1.00 14.14 H new ATOM 0 HG23 THR A 48 -6.199 -5.348 4.310 1.00 14.14 H new ATOM 687 N SER A 49 -8.342 -1.809 5.275 1.00 61.24 N ATOM 688 CA SER A 49 -8.612 -0.685 4.386 1.00 22.15 C ATOM 689 C SER A 49 -9.500 0.349 5.071 1.00 25.52 C ATOM 690 O SER A 49 -10.348 0.006 5.895 1.00 51.21 O ATOM 691 CB SER A 49 -9.280 -1.175 3.100 1.00 20.02 C ATOM 692 OG SER A 49 -8.452 -0.940 1.974 1.00 52.33 O ATOM 0 H SER A 49 -9.124 -2.070 5.875 1.00 61.24 H new ATOM 0 HA SER A 49 -7.661 -0.214 4.137 1.00 22.15 H new ATOM 0 HB2 SER A 49 -9.495 -2.240 3.181 1.00 20.02 H new ATOM 0 HB3 SER A 49 -10.235 -0.667 2.966 1.00 20.02 H new ATOM 0 HG SER A 49 -8.901 -1.263 1.165 1.00 52.33 H new ATOM 698 N ALA A 50 -9.300 1.615 4.723 1.00 61.25 N ATOM 699 CA ALA A 50 -10.083 2.700 5.303 1.00 14.23 C ATOM 700 C ALA A 50 -10.479 3.719 4.240 1.00 60.34 C ATOM 701 O ALA A 50 -9.716 3.993 3.313 1.00 72.42 O ATOM 702 CB ALA A 50 -9.302 3.376 6.421 1.00 4.24 C ATOM 0 H ALA A 50 -8.602 1.915 4.042 1.00 61.25 H new ATOM 0 HA ALA A 50 -10.996 2.274 5.719 1.00 14.23 H new ATOM 0 HB1 ALA A 50 -9.899 4.184 6.845 1.00 4.24 H new ATOM 0 HB2 ALA A 50 -9.075 2.647 7.198 1.00 4.24 H new ATOM 0 HB3 ALA A 50 -8.373 3.782 6.022 1.00 4.24 H new ATOM 708 N TRP A 51 -11.676 4.278 4.380 1.00 33.14 N ATOM 709 CA TRP A 51 -12.174 5.267 3.431 1.00 20.01 C ATOM 710 C TRP A 51 -12.680 6.509 4.155 1.00 42.42 C ATOM 711 O TRP A 51 -13.276 6.414 5.227 1.00 62.11 O ATOM 712 CB TRP A 51 -13.292 4.667 2.577 1.00 4.21 C ATOM 713 CG TRP A 51 -14.348 3.972 3.383 1.00 73.23 C ATOM 714 CD1 TRP A 51 -15.356 4.559 4.092 1.00 61.01 C ATOM 715 CD2 TRP A 51 -14.496 2.560 3.564 1.00 40.11 C ATOM 716 NE1 TRP A 51 -16.123 3.597 4.703 1.00 44.31 N ATOM 717 CE2 TRP A 51 -15.617 2.362 4.394 1.00 42.13 C ATOM 718 CE3 TRP A 51 -13.793 1.443 3.105 1.00 2.11 C ATOM 719 CZ2 TRP A 51 -16.048 1.094 4.773 1.00 35.12 C ATOM 720 CZ3 TRP A 51 -14.222 0.184 3.482 1.00 44.54 C ATOM 721 CH2 TRP A 51 -15.340 0.018 4.309 1.00 4.54 C ATOM 0 H TRP A 51 -12.320 4.063 5.142 1.00 33.14 H new ATOM 0 HA TRP A 51 -11.349 5.559 2.782 1.00 20.01 H new ATOM 0 HB2 TRP A 51 -13.756 5.460 1.990 1.00 4.21 H new ATOM 0 HB3 TRP A 51 -12.859 3.959 1.871 1.00 4.21 H new ATOM 0 HD1 TRP A 51 -15.526 5.623 4.162 1.00 61.01 H new ATOM 0 HE1 TRP A 51 -16.937 3.774 5.291 1.00 44.31 H new ATOM 0 HE3 TRP A 51 -12.930 1.561 2.467 1.00 2.11 H new ATOM 0 HZ2 TRP A 51 -16.910 0.964 5.410 1.00 35.12 H new ATOM 0 HZ3 TRP A 51 -13.686 -0.686 3.133 1.00 44.54 H new ATOM 0 HH2 TRP A 51 -15.650 -0.979 4.586 1.00 4.54 H new ATOM 732 N ASP A 52 -12.440 7.673 3.561 1.00 51.20 N ATOM 733 CA ASP A 52 -12.875 8.935 4.149 1.00 53.32 C ATOM 734 C ASP A 52 -12.144 9.202 5.463 1.00 24.43 C ATOM 735 O ASP A 52 -12.533 10.080 6.232 1.00 75.14 O ATOM 736 CB ASP A 52 -14.385 8.920 4.385 1.00 4.32 C ATOM 737 CG ASP A 52 -15.088 10.079 3.707 1.00 45.44 C ATOM 738 OD1 ASP A 52 -14.727 10.402 2.555 1.00 22.44 O ATOM 739 OD2 ASP A 52 -16.000 10.665 4.329 1.00 0.03 O ATOM 0 H ASP A 52 -11.947 7.769 2.673 1.00 51.20 H new ATOM 0 HA ASP A 52 -12.634 9.735 3.450 1.00 53.32 H new ATOM 0 HB2 ASP A 52 -14.798 7.982 4.015 1.00 4.32 H new ATOM 0 HB3 ASP A 52 -14.583 8.955 5.456 1.00 4.32 H new ATOM 744 N ALA A 53 -11.087 8.436 5.713 1.00 2.05 N ATOM 745 CA ALA A 53 -10.304 8.590 6.932 1.00 14.34 C ATOM 746 C ALA A 53 -9.058 7.712 6.898 1.00 32.35 C ATOM 747 O ALA A 53 -9.099 6.542 7.281 1.00 34.31 O ATOM 748 CB ALA A 53 -11.153 8.257 8.150 1.00 41.00 C ATOM 0 H ALA A 53 -10.754 7.703 5.087 1.00 2.05 H new ATOM 0 HA ALA A 53 -9.983 9.629 7.000 1.00 14.34 H new ATOM 0 HB1 ALA A 53 -10.555 8.376 9.054 1.00 41.00 H new ATOM 0 HB2 ALA A 53 -12.010 8.929 8.191 1.00 41.00 H new ATOM 0 HB3 ALA A 53 -11.502 7.227 8.079 1.00 41.00 H new ATOM 754 N THR A 54 -7.950 8.282 6.436 1.00 53.14 N ATOM 755 CA THR A 54 -6.692 7.552 6.349 1.00 74.55 C ATOM 756 C THR A 54 -6.304 6.964 7.702 1.00 53.43 C ATOM 757 O THR A 54 -5.763 7.662 8.561 1.00 21.02 O ATOM 758 CB THR A 54 -5.550 8.455 5.848 1.00 51.23 C ATOM 759 OG1 THR A 54 -5.968 9.171 4.681 1.00 43.25 O ATOM 760 CG2 THR A 54 -4.310 7.633 5.528 1.00 42.54 C ATOM 0 H THR A 54 -7.899 9.249 6.116 1.00 53.14 H new ATOM 0 HA THR A 54 -6.845 6.744 5.634 1.00 74.55 H new ATOM 0 HB THR A 54 -5.303 9.163 6.639 1.00 51.23 H new ATOM 0 HG1 THR A 54 -5.237 9.744 4.370 1.00 43.25 H new ATOM 0 HG21 THR A 54 -3.517 8.293 5.176 1.00 42.54 H new ATOM 0 HG22 THR A 54 -3.977 7.112 6.426 1.00 42.54 H new ATOM 0 HG23 THR A 54 -4.547 6.904 4.753 1.00 42.54 H new ATOM 768 N VAL A 55 -6.581 5.678 7.885 1.00 73.32 N ATOM 769 CA VAL A 55 -6.259 4.996 9.133 1.00 70.41 C ATOM 770 C VAL A 55 -4.907 4.297 9.044 1.00 31.23 C ATOM 771 O VAL A 55 -4.743 3.330 8.299 1.00 23.14 O ATOM 772 CB VAL A 55 -7.337 3.960 9.502 1.00 3.14 C ATOM 773 CG1 VAL A 55 -6.982 3.258 10.804 1.00 40.33 C ATOM 774 CG2 VAL A 55 -8.702 4.625 9.600 1.00 62.22 C ATOM 0 H VAL A 55 -7.028 5.086 7.185 1.00 73.32 H new ATOM 0 HA VAL A 55 -6.220 5.760 9.910 1.00 70.41 H new ATOM 0 HB VAL A 55 -7.379 3.209 8.713 1.00 3.14 H new ATOM 0 HG11 VAL A 55 -7.756 2.530 11.048 1.00 40.33 H new ATOM 0 HG12 VAL A 55 -6.025 2.747 10.693 1.00 40.33 H new ATOM 0 HG13 VAL A 55 -6.910 3.993 11.606 1.00 40.33 H new ATOM 0 HG21 VAL A 55 -9.452 3.879 9.861 1.00 62.22 H new ATOM 0 HG22 VAL A 55 -8.676 5.398 10.368 1.00 62.22 H new ATOM 0 HG23 VAL A 55 -8.957 5.075 8.641 1.00 62.22 H new ATOM 784 N THR A 56 -3.940 4.791 9.811 1.00 12.22 N ATOM 785 CA THR A 56 -2.601 4.213 9.819 1.00 3.41 C ATOM 786 C THR A 56 -2.382 3.350 11.055 1.00 52.34 C ATOM 787 O THR A 56 -3.240 3.278 11.933 1.00 64.13 O ATOM 788 CB THR A 56 -1.518 5.308 9.771 1.00 52.12 C ATOM 789 OG1 THR A 56 -0.240 4.721 9.500 1.00 0.55 O ATOM 790 CG2 THR A 56 -1.462 6.071 11.086 1.00 1.31 C ATOM 0 H THR A 56 -4.059 5.590 10.434 1.00 12.22 H new ATOM 0 HA THR A 56 -2.519 3.591 8.928 1.00 3.41 H new ATOM 0 HB THR A 56 -1.773 6.006 8.974 1.00 52.12 H new ATOM 0 HG1 THR A 56 0.443 5.423 9.469 1.00 0.55 H new ATOM 0 HG21 THR A 56 -0.690 6.839 11.029 1.00 1.31 H new ATOM 0 HG22 THR A 56 -2.427 6.540 11.276 1.00 1.31 H new ATOM 0 HG23 THR A 56 -1.228 5.381 11.897 1.00 1.31 H new ATOM 798 N ASN A 57 -1.226 2.697 11.118 1.00 42.12 N ATOM 799 CA ASN A 57 -0.894 1.838 12.249 1.00 12.53 C ATOM 800 C ASN A 57 0.522 2.116 12.746 1.00 1.34 C ATOM 801 O ASN A 57 1.360 2.632 12.006 1.00 34.55 O ATOM 802 CB ASN A 57 -1.028 0.365 11.853 1.00 53.14 C ATOM 803 CG ASN A 57 0.224 -0.171 11.187 1.00 43.23 C ATOM 804 OD1 ASN A 57 0.491 0.117 10.021 1.00 2.13 O ATOM 805 ND2 ASN A 57 0.998 -0.956 11.927 1.00 42.43 N ATOM 0 H ASN A 57 -0.504 2.746 10.399 1.00 42.12 H new ATOM 0 HA ASN A 57 -1.593 2.056 13.057 1.00 12.53 H new ATOM 0 HB2 ASN A 57 -1.246 -0.229 12.741 1.00 53.14 H new ATOM 0 HB3 ASN A 57 -1.874 0.249 11.176 1.00 53.14 H new ATOM 0 HD21 ASN A 57 1.854 -1.347 11.532 1.00 42.43 H new ATOM 0 HD22 ASN A 57 0.737 -1.168 12.890 1.00 42.43 H new ATOM 812 N SER A 58 0.780 1.770 14.002 1.00 73.42 N ATOM 813 CA SER A 58 2.093 1.984 14.599 1.00 43.24 C ATOM 814 C SER A 58 2.294 1.078 15.810 1.00 11.54 C ATOM 815 O SER A 58 2.054 1.480 16.948 1.00 21.02 O ATOM 816 CB SER A 58 2.256 3.448 15.012 1.00 41.33 C ATOM 817 OG SER A 58 3.617 3.764 15.249 1.00 0.11 O ATOM 0 H SER A 58 0.098 1.340 14.626 1.00 73.42 H new ATOM 0 HA SER A 58 2.848 1.737 13.853 1.00 43.24 H new ATOM 0 HB2 SER A 58 1.860 4.096 14.230 1.00 41.33 H new ATOM 0 HB3 SER A 58 1.673 3.642 15.912 1.00 41.33 H new ATOM 0 HG SER A 58 3.694 4.706 15.510 1.00 0.11 H new ATOM 823 N GLY A 59 2.737 -0.150 15.555 1.00 14.22 N ATOM 824 CA GLY A 59 2.964 -1.095 16.632 1.00 34.35 C ATOM 825 C GLY A 59 1.672 -1.672 17.177 1.00 35.53 C ATOM 826 O GLY A 59 1.173 -2.679 16.673 1.00 14.42 O ATOM 0 H GLY A 59 2.942 -0.507 14.622 1.00 14.22 H new ATOM 0 HA2 GLY A 59 3.598 -1.906 16.273 1.00 34.35 H new ATOM 0 HA3 GLY A 59 3.506 -0.600 17.438 1.00 34.35 H new ATOM 830 N ASP A 60 1.131 -1.037 18.211 1.00 15.44 N ATOM 831 CA ASP A 60 -0.109 -1.494 18.825 1.00 51.22 C ATOM 832 C ASP A 60 -1.128 -0.362 18.900 1.00 5.31 C ATOM 833 O ASP A 60 -2.170 -0.490 19.545 1.00 35.32 O ATOM 834 CB ASP A 60 0.163 -2.045 20.226 1.00 60.35 C ATOM 835 CG ASP A 60 0.387 -3.544 20.225 1.00 75.33 C ATOM 836 OD1 ASP A 60 0.805 -4.081 19.178 1.00 63.22 O ATOM 837 OD2 ASP A 60 0.146 -4.181 21.272 1.00 22.32 O ATOM 0 H ASP A 60 1.532 -0.204 18.641 1.00 15.44 H new ATOM 0 HA ASP A 60 -0.521 -2.289 18.204 1.00 51.22 H new ATOM 0 HB2 ASP A 60 1.039 -1.550 20.644 1.00 60.35 H new ATOM 0 HB3 ASP A 60 -0.678 -1.807 20.877 1.00 60.35 H new ATOM 842 N HIS A 61 -0.821 0.749 18.236 1.00 30.21 N ATOM 843 CA HIS A 61 -1.710 1.905 18.227 1.00 71.13 C ATOM 844 C HIS A 61 -2.145 2.245 16.805 1.00 20.11 C ATOM 845 O HIS A 61 -1.388 2.058 15.853 1.00 14.50 O ATOM 846 CB HIS A 61 -1.018 3.111 18.863 1.00 63.33 C ATOM 847 CG HIS A 61 -1.784 4.389 18.711 1.00 62.04 C ATOM 848 ND1 HIS A 61 -2.589 4.908 19.703 1.00 74.25 N ATOM 849 CD2 HIS A 61 -1.862 5.256 17.673 1.00 62.42 C ATOM 850 CE1 HIS A 61 -3.130 6.037 19.283 1.00 3.14 C ATOM 851 NE2 HIS A 61 -2.705 6.270 18.054 1.00 45.44 N ATOM 0 H HIS A 61 0.037 0.872 17.698 1.00 30.21 H new ATOM 0 HA HIS A 61 -2.597 1.655 18.809 1.00 71.13 H new ATOM 0 HB2 HIS A 61 -0.864 2.913 19.924 1.00 63.33 H new ATOM 0 HB3 HIS A 61 -0.032 3.232 18.414 1.00 63.33 H new ATOM 0 HD1 HIS A 61 -2.743 4.486 20.619 1.00 74.25 H new ATOM 0 HD2 HIS A 61 -1.356 5.166 16.723 1.00 62.42 H new ATOM 0 HE1 HIS A 61 -3.805 6.663 19.848 1.00 3.14 H new ATOM 859 N TRP A 62 -3.369 2.743 16.670 1.00 51.32 N ATOM 860 CA TRP A 62 -3.904 3.108 15.363 1.00 43.21 C ATOM 861 C TRP A 62 -4.541 4.494 15.403 1.00 15.03 C ATOM 862 O TRP A 62 -5.110 4.898 16.418 1.00 22.45 O ATOM 863 CB TRP A 62 -4.934 2.074 14.905 1.00 1.53 C ATOM 864 CG TRP A 62 -4.326 0.756 14.530 1.00 72.44 C ATOM 865 CD1 TRP A 62 -3.733 -0.141 15.372 1.00 20.44 C ATOM 866 CD2 TRP A 62 -4.249 0.190 13.218 1.00 34.14 C ATOM 867 NE1 TRP A 62 -3.293 -1.232 14.661 1.00 61.35 N ATOM 868 CE2 TRP A 62 -3.598 -1.054 13.338 1.00 51.12 C ATOM 869 CE3 TRP A 62 -4.668 0.611 11.952 1.00 75.23 C ATOM 870 CZ2 TRP A 62 -3.356 -1.876 12.241 1.00 32.24 C ATOM 871 CZ3 TRP A 62 -4.427 -0.207 10.865 1.00 40.14 C ATOM 872 CH2 TRP A 62 -3.777 -1.439 11.015 1.00 23.04 C ATOM 0 H TRP A 62 -4.009 2.903 17.448 1.00 51.32 H new ATOM 0 HA TRP A 62 -3.078 3.128 14.652 1.00 43.21 H new ATOM 0 HB2 TRP A 62 -5.660 1.917 15.703 1.00 1.53 H new ATOM 0 HB3 TRP A 62 -5.481 2.470 14.049 1.00 1.53 H new ATOM 0 HD1 TRP A 62 -3.626 -0.012 16.439 1.00 20.44 H new ATOM 0 HE1 TRP A 62 -2.816 -2.043 15.055 1.00 61.35 H new ATOM 0 HE3 TRP A 62 -5.171 1.558 11.826 1.00 75.23 H new ATOM 0 HZ2 TRP A 62 -2.854 -2.825 12.354 1.00 32.24 H new ATOM 0 HZ3 TRP A 62 -4.745 0.109 9.882 1.00 40.14 H new ATOM 0 HH2 TRP A 62 -3.605 -2.056 10.145 1.00 23.04 H new ATOM 883 N THR A 63 -4.441 5.218 14.293 1.00 75.25 N ATOM 884 CA THR A 63 -5.004 6.559 14.202 1.00 25.52 C ATOM 885 C THR A 63 -5.583 6.819 12.816 1.00 71.43 C ATOM 886 O THR A 63 -5.091 6.291 11.819 1.00 63.31 O ATOM 887 CB THR A 63 -3.950 7.636 14.517 1.00 13.24 C ATOM 888 OG1 THR A 63 -4.569 8.925 14.584 1.00 31.31 O ATOM 889 CG2 THR A 63 -2.857 7.648 13.457 1.00 23.44 C ATOM 0 H THR A 63 -3.975 4.898 13.444 1.00 75.25 H new ATOM 0 HA THR A 63 -5.801 6.617 14.943 1.00 25.52 H new ATOM 0 HB THR A 63 -3.499 7.400 15.481 1.00 13.24 H new ATOM 0 HG1 THR A 63 -3.891 9.603 14.786 1.00 31.31 H new ATOM 0 HG21 THR A 63 -2.123 8.417 13.700 1.00 23.44 H new ATOM 0 HG22 THR A 63 -2.367 6.675 13.428 1.00 23.44 H new ATOM 0 HG23 THR A 63 -3.297 7.861 12.483 1.00 23.44 H new ATOM 897 N ALA A 64 -6.630 7.636 12.760 1.00 70.35 N ATOM 898 CA ALA A 64 -7.273 7.969 11.496 1.00 54.41 C ATOM 899 C ALA A 64 -7.442 9.477 11.345 1.00 33.15 C ATOM 900 O ALA A 64 -7.739 10.179 12.312 1.00 14.14 O ATOM 901 CB ALA A 64 -8.621 7.272 11.390 1.00 20.43 C ATOM 0 H ALA A 64 -7.051 8.079 13.577 1.00 70.35 H new ATOM 0 HA ALA A 64 -6.631 7.620 10.688 1.00 54.41 H new ATOM 0 HB1 ALA A 64 -9.090 7.530 10.441 1.00 20.43 H new ATOM 0 HB2 ALA A 64 -8.478 6.193 11.443 1.00 20.43 H new ATOM 0 HB3 ALA A 64 -9.262 7.593 12.211 1.00 20.43 H new ATOM 907 N LYS A 65 -7.249 9.970 10.127 1.00 2.15 N ATOM 908 CA LYS A 65 -7.380 11.395 9.847 1.00 71.32 C ATOM 909 C LYS A 65 -8.036 11.626 8.490 1.00 50.34 C ATOM 910 O LYS A 65 -8.061 10.734 7.643 1.00 50.44 O ATOM 911 CB LYS A 65 -6.008 12.072 9.885 1.00 22.44 C ATOM 912 CG LYS A 65 -5.077 11.500 10.940 1.00 12.24 C ATOM 913 CD LYS A 65 -4.269 10.333 10.397 1.00 4.01 C ATOM 914 CE LYS A 65 -2.781 10.521 10.646 1.00 70.25 C ATOM 915 NZ LYS A 65 -2.441 10.409 12.091 1.00 61.54 N ATOM 0 H LYS A 65 -7.001 9.403 9.316 1.00 2.15 H new ATOM 0 HA LYS A 65 -8.016 11.833 10.616 1.00 71.32 H new ATOM 0 HB2 LYS A 65 -5.537 11.976 8.907 1.00 22.44 H new ATOM 0 HB3 LYS A 65 -6.143 13.138 10.071 1.00 22.44 H new ATOM 0 HG2 LYS A 65 -4.401 12.280 11.291 1.00 12.24 H new ATOM 0 HG3 LYS A 65 -5.659 11.171 11.801 1.00 12.24 H new ATOM 0 HD2 LYS A 65 -4.603 9.408 10.867 1.00 4.01 H new ATOM 0 HD3 LYS A 65 -4.450 10.231 9.327 1.00 4.01 H new ATOM 0 HE2 LYS A 65 -2.222 9.774 10.083 1.00 70.25 H new ATOM 0 HE3 LYS A 65 -2.472 11.498 10.275 1.00 70.25 H new ATOM 0 HZ1 LYS A 65 -2.170 11.344 12.457 1.00 61.54 H new ATOM 0 HZ2 LYS A 65 -3.267 10.057 12.616 1.00 61.54 H new ATOM 0 HZ3 LYS A 65 -1.648 9.747 12.211 1.00 61.54 H new ATOM 929 N ASN A 66 -8.565 12.830 8.290 1.00 32.32 N ATOM 930 CA ASN A 66 -9.220 13.177 7.034 1.00 73.54 C ATOM 931 C ASN A 66 -8.721 14.523 6.515 1.00 63.34 C ATOM 932 O ASN A 66 -8.297 14.639 5.366 1.00 34.32 O ATOM 933 CB ASN A 66 -10.738 13.220 7.221 1.00 71.22 C ATOM 934 CG ASN A 66 -11.472 13.517 5.928 1.00 14.42 C ATOM 935 OD1 ASN A 66 -11.690 12.626 5.107 1.00 31.11 O ATOM 936 ND2 ASN A 66 -11.856 14.775 5.741 1.00 14.40 N ATOM 0 H ASN A 66 -8.553 13.580 8.981 1.00 32.32 H new ATOM 0 HA ASN A 66 -8.973 12.410 6.300 1.00 73.54 H new ATOM 0 HB2 ASN A 66 -11.080 12.264 7.618 1.00 71.22 H new ATOM 0 HB3 ASN A 66 -10.989 13.980 7.961 1.00 71.22 H new ATOM 0 HD21 ASN A 66 -12.353 15.035 4.889 1.00 14.40 H new ATOM 0 HD22 ASN A 66 -11.654 15.481 6.449 1.00 14.40 H new ATOM 943 N VAL A 67 -8.776 15.538 7.372 1.00 44.12 N ATOM 944 CA VAL A 67 -8.330 16.875 7.002 1.00 54.24 C ATOM 945 C VAL A 67 -7.019 17.229 7.697 1.00 74.01 C ATOM 946 O VAL A 67 -6.826 18.359 8.143 1.00 62.41 O ATOM 947 CB VAL A 67 -9.387 17.938 7.354 1.00 53.31 C ATOM 948 CG1 VAL A 67 -9.492 18.109 8.862 1.00 2.25 C ATOM 949 CG2 VAL A 67 -9.056 19.262 6.680 1.00 72.54 C ATOM 0 H VAL A 67 -9.125 15.459 8.327 1.00 44.12 H new ATOM 0 HA VAL A 67 -8.177 16.869 5.923 1.00 54.24 H new ATOM 0 HB VAL A 67 -10.355 17.600 6.983 1.00 53.31 H new ATOM 0 HG11 VAL A 67 -10.244 18.864 9.091 1.00 2.25 H new ATOM 0 HG12 VAL A 67 -9.780 17.161 9.317 1.00 2.25 H new ATOM 0 HG13 VAL A 67 -8.528 18.425 9.260 1.00 2.25 H new ATOM 0 HG21 VAL A 67 -9.813 20.002 6.940 1.00 72.54 H new ATOM 0 HG22 VAL A 67 -8.079 19.608 7.018 1.00 72.54 H new ATOM 0 HG23 VAL A 67 -9.038 19.125 5.599 1.00 72.54 H new ATOM 959 N GLY A 68 -6.120 16.253 7.784 1.00 71.15 N ATOM 960 CA GLY A 68 -4.838 16.481 8.425 1.00 54.05 C ATOM 961 C GLY A 68 -3.870 17.237 7.535 1.00 21.21 C ATOM 962 O GLY A 68 -2.710 17.435 7.895 1.00 64.54 O ATOM 0 H GLY A 68 -6.257 15.309 7.422 1.00 71.15 H new ATOM 0 HA2 GLY A 68 -4.991 17.041 9.348 1.00 54.05 H new ATOM 0 HA3 GLY A 68 -4.399 15.523 8.703 1.00 54.05 H new ATOM 966 N TRP A 69 -4.348 17.658 6.369 1.00 35.53 N ATOM 967 CA TRP A 69 -3.515 18.393 5.424 1.00 61.34 C ATOM 968 C TRP A 69 -3.977 19.842 5.307 1.00 4.25 C ATOM 969 O TRP A 69 -3.193 20.727 4.964 1.00 20.13 O ATOM 970 CB TRP A 69 -3.550 17.721 4.051 1.00 74.42 C ATOM 971 CG TRP A 69 -4.884 17.126 3.714 1.00 63.01 C ATOM 972 CD1 TRP A 69 -5.301 15.851 3.968 1.00 64.32 C ATOM 973 CD2 TRP A 69 -5.974 17.785 3.058 1.00 73.42 C ATOM 974 NE1 TRP A 69 -6.585 15.677 3.511 1.00 1.22 N ATOM 975 CE2 TRP A 69 -7.020 16.848 2.949 1.00 71.12 C ATOM 976 CE3 TRP A 69 -6.168 19.073 2.555 1.00 40.12 C ATOM 977 CZ2 TRP A 69 -8.241 17.162 2.356 1.00 74.32 C ATOM 978 CZ3 TRP A 69 -7.379 19.383 1.967 1.00 64.43 C ATOM 979 CH2 TRP A 69 -8.403 18.431 1.872 1.00 44.30 C ATOM 0 H TRP A 69 -5.306 17.503 6.056 1.00 35.53 H new ATOM 0 HA TRP A 69 -2.491 18.386 5.797 1.00 61.34 H new ATOM 0 HB2 TRP A 69 -3.284 18.454 3.289 1.00 74.42 H new ATOM 0 HB3 TRP A 69 -2.792 16.938 4.018 1.00 74.42 H new ATOM 0 HD1 TRP A 69 -4.709 15.091 4.456 1.00 64.32 H new ATOM 0 HE1 TRP A 69 -7.127 14.815 3.579 1.00 1.22 H new ATOM 0 HE3 TRP A 69 -5.385 19.814 2.624 1.00 40.12 H new ATOM 0 HZ2 TRP A 69 -9.031 16.430 2.281 1.00 74.32 H new ATOM 0 HZ3 TRP A 69 -7.539 20.376 1.574 1.00 64.43 H new ATOM 0 HH2 TRP A 69 -9.339 18.705 1.407 1.00 44.30 H new ATOM 990 N ASN A 70 -5.254 20.077 5.591 1.00 34.54 N ATOM 991 CA ASN A 70 -5.819 21.419 5.516 1.00 53.10 C ATOM 992 C ASN A 70 -6.188 21.932 6.905 1.00 31.13 C ATOM 993 O ASN A 70 -6.002 23.108 7.213 1.00 64.32 O ATOM 994 CB ASN A 70 -7.054 21.425 4.613 1.00 34.22 C ATOM 995 CG ASN A 70 -6.796 22.115 3.287 1.00 21.54 C ATOM 996 OD1 ASN A 70 -5.651 22.241 2.852 1.00 52.15 O ATOM 997 ND2 ASN A 70 -7.863 22.563 2.637 1.00 2.34 N ATOM 0 H ASN A 70 -5.917 19.356 5.875 1.00 34.54 H new ATOM 0 HA ASN A 70 -5.064 22.081 5.092 1.00 53.10 H new ATOM 0 HB2 ASN A 70 -7.372 20.399 4.430 1.00 34.22 H new ATOM 0 HB3 ASN A 70 -7.874 21.926 5.127 1.00 34.22 H new ATOM 0 HD21 ASN A 70 -7.753 23.034 1.739 1.00 2.34 H new ATOM 0 HD22 ASN A 70 -8.793 22.436 3.036 1.00 2.34 H new ATOM 1004 N GLY A 71 -6.713 21.040 7.740 1.00 15.51 N ATOM 1005 CA GLY A 71 -7.100 21.420 9.085 1.00 52.03 C ATOM 1006 C GLY A 71 -7.933 22.687 9.113 1.00 33.21 C ATOM 1007 O GLY A 71 -7.573 23.661 9.774 1.00 64.42 O ATOM 0 H GLY A 71 -6.877 20.060 7.508 1.00 15.51 H new ATOM 0 HA2 GLY A 71 -7.665 20.607 9.540 1.00 52.03 H new ATOM 0 HA3 GLY A 71 -6.205 21.564 9.690 1.00 52.03 H new ATOM 1011 N THR A 72 -9.048 22.675 8.390 1.00 61.43 N ATOM 1012 CA THR A 72 -9.933 23.831 8.332 1.00 63.24 C ATOM 1013 C THR A 72 -11.393 23.416 8.483 1.00 14.54 C ATOM 1014 O THR A 72 -12.048 23.047 7.506 1.00 74.44 O ATOM 1015 CB THR A 72 -9.765 24.602 7.009 1.00 20.01 C ATOM 1016 OG1 THR A 72 -10.805 25.576 6.872 1.00 25.43 O ATOM 1017 CG2 THR A 72 -9.795 23.650 5.821 1.00 71.32 C ATOM 0 H THR A 72 -9.360 21.877 7.836 1.00 61.43 H new ATOM 0 HA THR A 72 -9.656 24.482 9.161 1.00 63.24 H new ATOM 0 HB THR A 72 -8.798 25.105 7.028 1.00 20.01 H new ATOM 0 HG1 THR A 72 -10.689 26.062 6.029 1.00 25.43 H new ATOM 0 HG21 THR A 72 -9.675 24.217 4.898 1.00 71.32 H new ATOM 0 HG22 THR A 72 -8.983 22.928 5.912 1.00 71.32 H new ATOM 0 HG23 THR A 72 -10.749 23.123 5.801 1.00 71.32 H new ATOM 1025 N LEU A 73 -11.896 23.478 9.710 1.00 10.21 N ATOM 1026 CA LEU A 73 -13.280 23.109 9.989 1.00 54.33 C ATOM 1027 C LEU A 73 -13.949 24.143 10.888 1.00 62.52 C ATOM 1028 O LEU A 73 -13.276 24.923 11.561 1.00 71.35 O ATOM 1029 CB LEU A 73 -13.337 21.730 10.648 1.00 0.14 C ATOM 1030 CG LEU A 73 -14.694 21.025 10.614 1.00 40.41 C ATOM 1031 CD1 LEU A 73 -14.568 19.656 9.965 1.00 34.24 C ATOM 1032 CD2 LEU A 73 -15.267 20.903 12.018 1.00 32.44 C ATOM 0 H LEU A 73 -11.367 23.780 10.528 1.00 10.21 H new ATOM 0 HA LEU A 73 -13.819 23.075 9.042 1.00 54.33 H new ATOM 0 HB2 LEU A 73 -12.604 21.087 10.162 1.00 0.14 H new ATOM 0 HB3 LEU A 73 -13.030 21.834 11.689 1.00 0.14 H new ATOM 0 HG LEU A 73 -15.379 21.625 10.016 1.00 40.41 H new ATOM 0 HD11 LEU A 73 -15.543 19.169 9.950 1.00 34.24 H new ATOM 0 HD12 LEU A 73 -14.203 19.769 8.944 1.00 34.24 H new ATOM 0 HD13 LEU A 73 -13.867 19.046 10.535 1.00 34.24 H new ATOM 0 HD21 LEU A 73 -16.233 20.399 11.974 1.00 32.44 H new ATOM 0 HD22 LEU A 73 -14.584 20.325 12.641 1.00 32.44 H new ATOM 0 HD23 LEU A 73 -15.396 21.897 12.446 1.00 32.44 H new ATOM 1044 N ALA A 74 -15.278 24.141 10.896 1.00 44.23 N ATOM 1045 CA ALA A 74 -16.038 25.077 11.717 1.00 4.15 C ATOM 1046 C ALA A 74 -16.214 24.544 13.135 1.00 41.25 C ATOM 1047 O ALA A 74 -16.037 23.357 13.405 1.00 55.04 O ATOM 1048 CB ALA A 74 -17.393 25.353 11.083 1.00 31.12 C ATOM 0 H ALA A 74 -15.851 23.502 10.344 1.00 44.23 H new ATOM 0 HA ALA A 74 -15.479 26.011 11.774 1.00 4.15 H new ATOM 0 HB1 ALA A 74 -17.950 26.053 11.706 1.00 31.12 H new ATOM 0 HB2 ALA A 74 -17.250 25.783 10.092 1.00 31.12 H new ATOM 0 HB3 ALA A 74 -17.951 24.421 10.997 1.00 31.12 H new ATOM 1054 N PRO A 75 -16.570 25.444 14.065 1.00 51.33 N ATOM 1055 CA PRO A 75 -16.777 25.088 15.471 1.00 24.41 C ATOM 1056 C PRO A 75 -18.026 24.236 15.676 1.00 11.41 C ATOM 1057 O PRO A 75 -18.265 23.721 16.768 1.00 4.20 O ATOM 1058 CB PRO A 75 -16.937 26.446 16.161 1.00 31.35 C ATOM 1059 CG PRO A 75 -17.429 27.359 15.091 1.00 31.54 C ATOM 1060 CD PRO A 75 -16.798 26.877 13.814 1.00 64.23 C ATOM 0 HA PRO A 75 -15.956 24.488 15.865 1.00 24.41 H new ATOM 0 HB2 PRO A 75 -17.644 26.389 16.989 1.00 31.35 H new ATOM 0 HB3 PRO A 75 -15.990 26.794 16.574 1.00 31.35 H new ATOM 0 HG2 PRO A 75 -18.517 27.331 15.024 1.00 31.54 H new ATOM 0 HG3 PRO A 75 -17.149 28.392 15.299 1.00 31.54 H new ATOM 0 HD2 PRO A 75 -17.453 27.036 12.957 1.00 64.23 H new ATOM 0 HD3 PRO A 75 -15.866 27.401 13.604 1.00 64.23 H new ATOM 1068 N GLY A 76 -18.818 24.092 14.619 1.00 11.51 N ATOM 1069 CA GLY A 76 -20.032 23.301 14.703 1.00 52.15 C ATOM 1070 C GLY A 76 -20.303 22.518 13.434 1.00 65.31 C ATOM 1071 O GLY A 76 -20.539 23.100 12.376 1.00 11.40 O ATOM 0 H GLY A 76 -18.641 24.509 13.705 1.00 11.51 H new ATOM 0 HA2 GLY A 76 -19.955 22.610 15.543 1.00 52.15 H new ATOM 0 HA3 GLY A 76 -20.877 23.959 14.908 1.00 52.15 H new ATOM 1075 N ALA A 77 -20.271 21.193 13.539 1.00 53.34 N ATOM 1076 CA ALA A 77 -20.516 20.329 12.391 1.00 40.24 C ATOM 1077 C ALA A 77 -20.428 18.858 12.783 1.00 4.21 C ATOM 1078 O ALA A 77 -20.040 18.526 13.903 1.00 10.00 O ATOM 1079 CB ALA A 77 -19.528 20.640 11.277 1.00 3.50 C ATOM 0 H ALA A 77 -20.078 20.695 14.408 1.00 53.34 H new ATOM 0 HA ALA A 77 -21.526 20.522 12.030 1.00 40.24 H new ATOM 0 HB1 ALA A 77 -19.722 19.988 10.426 1.00 3.50 H new ATOM 0 HB2 ALA A 77 -19.641 21.680 10.970 1.00 3.50 H new ATOM 0 HB3 ALA A 77 -18.512 20.476 11.636 1.00 3.50 H new ATOM 1085 N SER A 78 -20.793 17.981 11.853 1.00 32.43 N ATOM 1086 CA SER A 78 -20.761 16.545 12.104 1.00 13.44 C ATOM 1087 C SER A 78 -20.097 15.806 10.945 1.00 0.31 C ATOM 1088 O SER A 78 -20.425 16.033 9.780 1.00 61.41 O ATOM 1089 CB SER A 78 -22.178 16.010 12.319 1.00 44.21 C ATOM 1090 OG SER A 78 -23.057 16.478 11.311 1.00 44.44 O ATOM 0 H SER A 78 -21.114 18.240 10.920 1.00 32.43 H new ATOM 0 HA SER A 78 -20.175 16.373 13.007 1.00 13.44 H new ATOM 0 HB2 SER A 78 -22.163 14.920 12.316 1.00 44.21 H new ATOM 0 HB3 SER A 78 -22.543 16.321 13.298 1.00 44.21 H new ATOM 0 HG SER A 78 -22.585 16.506 10.453 1.00 44.44 H new ATOM 1096 N VAL A 79 -19.161 14.922 11.274 1.00 14.30 N ATOM 1097 CA VAL A 79 -18.451 14.149 10.262 1.00 2.21 C ATOM 1098 C VAL A 79 -18.285 12.696 10.695 1.00 45.14 C ATOM 1099 O VAL A 79 -17.947 12.416 11.845 1.00 31.31 O ATOM 1100 CB VAL A 79 -17.061 14.747 9.970 1.00 64.21 C ATOM 1101 CG1 VAL A 79 -16.150 14.593 11.178 1.00 31.00 C ATOM 1102 CG2 VAL A 79 -16.447 14.094 8.741 1.00 72.42 C ATOM 0 H VAL A 79 -18.877 14.723 12.233 1.00 14.30 H new ATOM 0 HA VAL A 79 -19.054 14.189 9.355 1.00 2.21 H new ATOM 0 HB VAL A 79 -17.178 15.811 9.766 1.00 64.21 H new ATOM 0 HG11 VAL A 79 -15.173 15.021 10.954 1.00 31.00 H new ATOM 0 HG12 VAL A 79 -16.586 15.112 12.031 1.00 31.00 H new ATOM 0 HG13 VAL A 79 -16.037 13.535 11.416 1.00 31.00 H new ATOM 0 HG21 VAL A 79 -15.466 14.529 8.550 1.00 72.42 H new ATOM 0 HG22 VAL A 79 -16.342 13.023 8.912 1.00 72.42 H new ATOM 0 HG23 VAL A 79 -17.092 14.262 7.879 1.00 72.42 H new ATOM 1112 N SER A 80 -18.527 11.776 9.767 1.00 53.13 N ATOM 1113 CA SER A 80 -18.408 10.352 10.054 1.00 72.23 C ATOM 1114 C SER A 80 -17.618 9.641 8.959 1.00 5.10 C ATOM 1115 O SER A 80 -17.652 10.040 7.795 1.00 11.44 O ATOM 1116 CB SER A 80 -19.795 9.720 10.191 1.00 1.43 C ATOM 1117 OG SER A 80 -20.305 9.332 8.926 1.00 43.22 O ATOM 0 H SER A 80 -18.807 11.992 8.810 1.00 53.13 H new ATOM 0 HA SER A 80 -17.871 10.240 10.996 1.00 72.23 H new ATOM 0 HB2 SER A 80 -19.739 8.851 10.846 1.00 1.43 H new ATOM 0 HB3 SER A 80 -20.477 10.429 10.660 1.00 1.43 H new ATOM 0 HG SER A 80 -21.191 8.929 9.040 1.00 43.22 H new ATOM 1123 N PHE A 81 -16.908 8.585 9.341 1.00 61.13 N ATOM 1124 CA PHE A 81 -16.108 7.818 8.393 1.00 72.10 C ATOM 1125 C PHE A 81 -16.223 6.322 8.670 1.00 21.31 C ATOM 1126 O PHE A 81 -16.539 5.908 9.785 1.00 53.32 O ATOM 1127 CB PHE A 81 -14.641 8.249 8.464 1.00 62.25 C ATOM 1128 CG PHE A 81 -13.923 7.731 9.677 1.00 54.10 C ATOM 1129 CD1 PHE A 81 -13.318 6.485 9.661 1.00 22.11 C ATOM 1130 CD2 PHE A 81 -13.850 8.491 10.834 1.00 43.31 C ATOM 1131 CE1 PHE A 81 -12.657 6.005 10.776 1.00 13.23 C ATOM 1132 CE2 PHE A 81 -13.190 8.017 11.952 1.00 20.22 C ATOM 1133 CZ PHE A 81 -12.591 6.773 11.922 1.00 24.45 C ATOM 0 H PHE A 81 -16.870 8.241 10.300 1.00 61.13 H new ATOM 0 HA PHE A 81 -16.490 8.015 7.391 1.00 72.10 H new ATOM 0 HB2 PHE A 81 -14.125 7.901 7.569 1.00 62.25 H new ATOM 0 HB3 PHE A 81 -14.590 9.338 8.458 1.00 62.25 H new ATOM 0 HD1 PHE A 81 -13.363 5.881 8.767 1.00 22.11 H new ATOM 0 HD2 PHE A 81 -14.315 9.466 10.862 1.00 43.31 H new ATOM 0 HE1 PHE A 81 -12.193 5.030 10.751 1.00 13.23 H new ATOM 0 HE2 PHE A 81 -13.143 8.619 12.848 1.00 20.22 H new ATOM 0 HZ PHE A 81 -12.072 6.401 12.793 1.00 24.45 H new ATOM 1143 N GLY A 82 -15.967 5.515 7.645 1.00 12.11 N ATOM 1144 CA GLY A 82 -16.048 4.074 7.797 1.00 2.41 C ATOM 1145 C GLY A 82 -14.792 3.370 7.323 1.00 54.30 C ATOM 1146 O GLY A 82 -13.877 4.003 6.796 1.00 33.03 O ATOM 0 H GLY A 82 -15.705 5.833 6.712 1.00 12.11 H new ATOM 0 HA2 GLY A 82 -16.223 3.832 8.845 1.00 2.41 H new ATOM 0 HA3 GLY A 82 -16.904 3.700 7.236 1.00 2.41 H new ATOM 1150 N PHE A 83 -14.745 2.055 7.513 1.00 61.41 N ATOM 1151 CA PHE A 83 -13.590 1.264 7.105 1.00 4.10 C ATOM 1152 C PHE A 83 -13.860 -0.227 7.288 1.00 73.44 C ATOM 1153 O PHE A 83 -14.958 -0.627 7.671 1.00 50.20 O ATOM 1154 CB PHE A 83 -12.355 1.674 7.909 1.00 1.12 C ATOM 1155 CG PHE A 83 -12.346 1.136 9.311 1.00 24.05 C ATOM 1156 CD1 PHE A 83 -13.052 1.775 10.317 1.00 5.33 C ATOM 1157 CD2 PHE A 83 -11.633 -0.010 9.623 1.00 31.35 C ATOM 1158 CE1 PHE A 83 -13.046 1.282 11.608 1.00 73.41 C ATOM 1159 CE2 PHE A 83 -11.623 -0.508 10.913 1.00 33.15 C ATOM 1160 CZ PHE A 83 -12.331 0.139 11.906 1.00 33.40 C ATOM 0 H PHE A 83 -15.494 1.515 7.947 1.00 61.41 H new ATOM 0 HA PHE A 83 -13.405 1.454 6.048 1.00 4.10 H new ATOM 0 HB2 PHE A 83 -11.462 1.327 7.390 1.00 1.12 H new ATOM 0 HB3 PHE A 83 -12.300 2.762 7.946 1.00 1.12 H new ATOM 0 HD1 PHE A 83 -13.614 2.669 10.090 1.00 5.33 H new ATOM 0 HD2 PHE A 83 -11.078 -0.521 8.850 1.00 31.35 H new ATOM 0 HE1 PHE A 83 -13.600 1.790 12.383 1.00 73.41 H new ATOM 0 HE2 PHE A 83 -11.062 -1.402 11.143 1.00 33.15 H new ATOM 0 HZ PHE A 83 -12.326 -0.248 12.914 1.00 33.40 H new ATOM 1170 N ASN A 84 -12.848 -1.043 7.012 1.00 72.13 N ATOM 1171 CA ASN A 84 -12.975 -2.490 7.146 1.00 53.45 C ATOM 1172 C ASN A 84 -11.711 -3.093 7.752 1.00 54.43 C ATOM 1173 O ASN A 84 -10.607 -2.881 7.250 1.00 71.31 O ATOM 1174 CB ASN A 84 -13.255 -3.126 5.784 1.00 14.22 C ATOM 1175 CG ASN A 84 -12.211 -2.757 4.747 1.00 45.53 C ATOM 1176 OD1 ASN A 84 -12.005 -1.579 4.450 1.00 12.05 O ATOM 1177 ND2 ASN A 84 -11.547 -3.763 4.192 1.00 71.00 N ATOM 0 H ASN A 84 -11.932 -0.727 6.694 1.00 72.13 H new ATOM 0 HA ASN A 84 -13.811 -2.696 7.814 1.00 53.45 H new ATOM 0 HB2 ASN A 84 -13.288 -4.210 5.892 1.00 14.22 H new ATOM 0 HB3 ASN A 84 -14.238 -2.811 5.434 1.00 14.22 H new ATOM 0 HD21 ASN A 84 -10.833 -3.576 3.488 1.00 71.00 H new ATOM 0 HD22 ASN A 84 -11.751 -4.723 4.469 1.00 71.00 H new ATOM 1184 N GLY A 85 -11.880 -3.847 8.833 1.00 30.45 N ATOM 1185 CA GLY A 85 -10.746 -4.471 9.489 1.00 53.53 C ATOM 1186 C GLY A 85 -10.898 -5.974 9.608 1.00 21.30 C ATOM 1187 O GLY A 85 -12.015 -6.490 9.652 1.00 61.23 O ATOM 0 H GLY A 85 -12.783 -4.037 9.267 1.00 30.45 H new ATOM 0 HA2 GLY A 85 -9.838 -4.244 8.931 1.00 53.53 H new ATOM 0 HA3 GLY A 85 -10.624 -4.042 10.483 1.00 53.53 H new ATOM 1191 N SER A 86 -9.773 -6.679 9.659 1.00 62.01 N ATOM 1192 CA SER A 86 -9.786 -8.133 9.767 1.00 71.15 C ATOM 1193 C SER A 86 -9.521 -8.573 11.204 1.00 12.14 C ATOM 1194 O SER A 86 -8.416 -8.412 11.720 1.00 14.15 O ATOM 1195 CB SER A 86 -8.741 -8.745 8.833 1.00 11.23 C ATOM 1196 OG SER A 86 -9.294 -9.807 8.074 1.00 42.24 O ATOM 0 H SER A 86 -8.840 -6.267 9.627 1.00 62.01 H new ATOM 0 HA SER A 86 -10.775 -8.486 9.474 1.00 71.15 H new ATOM 0 HB2 SER A 86 -8.354 -7.978 8.162 1.00 11.23 H new ATOM 0 HB3 SER A 86 -7.897 -9.112 9.417 1.00 11.23 H new ATOM 0 HG SER A 86 -8.606 -10.180 7.484 1.00 42.24 H new ATOM 1202 N GLY A 87 -10.544 -9.130 11.844 1.00 62.13 N ATOM 1203 CA GLY A 87 -10.402 -9.584 13.216 1.00 23.12 C ATOM 1204 C GLY A 87 -11.733 -9.682 13.934 1.00 61.32 C ATOM 1205 O GLY A 87 -12.787 -9.838 13.317 1.00 23.31 O ATOM 0 H GLY A 87 -11.468 -9.275 11.438 1.00 62.13 H new ATOM 0 HA2 GLY A 87 -9.915 -10.559 13.224 1.00 23.12 H new ATOM 0 HA3 GLY A 87 -9.750 -8.898 13.757 1.00 23.12 H new ATOM 1209 N PRO A 88 -11.696 -9.590 15.272 1.00 21.30 N ATOM 1210 CA PRO A 88 -12.900 -9.668 16.105 1.00 33.42 C ATOM 1211 C PRO A 88 -13.793 -8.442 15.949 1.00 72.20 C ATOM 1212 O PRO A 88 -15.017 -8.556 15.902 1.00 11.14 O ATOM 1213 CB PRO A 88 -12.342 -9.746 17.529 1.00 53.40 C ATOM 1214 CG PRO A 88 -11.005 -9.093 17.447 1.00 71.01 C ATOM 1215 CD PRO A 88 -10.475 -9.405 16.075 1.00 44.22 C ATOM 0 HA PRO A 88 -13.530 -10.515 15.833 1.00 33.42 H new ATOM 0 HB2 PRO A 88 -12.991 -9.232 18.238 1.00 53.40 H new ATOM 0 HB3 PRO A 88 -12.258 -10.779 17.866 1.00 53.40 H new ATOM 0 HG2 PRO A 88 -11.087 -8.017 17.598 1.00 71.01 H new ATOM 0 HG3 PRO A 88 -10.337 -9.474 18.219 1.00 71.01 H new ATOM 0 HD2 PRO A 88 -9.859 -8.594 15.688 1.00 44.22 H new ATOM 0 HD3 PRO A 88 -9.856 -10.302 16.078 1.00 44.22 H new ATOM 1223 N GLY A 89 -13.171 -7.269 15.868 1.00 62.22 N ATOM 1224 CA GLY A 89 -13.926 -6.039 15.718 1.00 3.24 C ATOM 1225 C GLY A 89 -14.301 -5.422 17.050 1.00 73.03 C ATOM 1226 O GLY A 89 -15.306 -4.719 17.156 1.00 30.54 O ATOM 0 H GLY A 89 -12.159 -7.149 15.904 1.00 62.22 H new ATOM 0 HA2 GLY A 89 -13.338 -5.324 15.143 1.00 3.24 H new ATOM 0 HA3 GLY A 89 -14.832 -6.240 15.146 1.00 3.24 H new ATOM 1230 N SER A 90 -13.491 -5.684 18.071 1.00 12.33 N ATOM 1231 CA SER A 90 -13.745 -5.153 19.405 1.00 30.24 C ATOM 1232 C SER A 90 -12.685 -4.127 19.792 1.00 73.40 C ATOM 1233 O SER A 90 -11.780 -4.399 20.582 1.00 41.03 O ATOM 1234 CB SER A 90 -13.772 -6.288 20.431 1.00 43.14 C ATOM 1235 OG SER A 90 -15.061 -6.872 20.512 1.00 12.20 O ATOM 0 H SER A 90 -12.653 -6.261 18.000 1.00 12.33 H new ATOM 0 HA SER A 90 -14.716 -4.659 19.394 1.00 30.24 H new ATOM 0 HB2 SER A 90 -13.041 -7.049 20.156 1.00 43.14 H new ATOM 0 HB3 SER A 90 -13.481 -5.905 21.409 1.00 43.14 H new ATOM 0 HG SER A 90 -15.051 -7.595 21.173 1.00 12.20 H new ATOM 1241 N PRO A 91 -12.798 -2.918 19.223 1.00 71.05 N ATOM 1242 CA PRO A 91 -11.858 -1.825 19.494 1.00 43.22 C ATOM 1243 C PRO A 91 -11.997 -1.280 20.911 1.00 55.24 C ATOM 1244 O PRO A 91 -13.035 -1.443 21.551 1.00 3.41 O ATOM 1245 CB PRO A 91 -12.252 -0.758 18.469 1.00 2.12 C ATOM 1246 CG PRO A 91 -13.684 -1.033 18.166 1.00 33.31 C ATOM 1247 CD PRO A 91 -13.851 -2.524 18.272 1.00 60.25 C ATOM 0 HA PRO A 91 -10.820 -2.149 19.415 1.00 43.22 H new ATOM 0 HB2 PRO A 91 -12.119 0.246 18.872 1.00 2.12 H new ATOM 0 HB3 PRO A 91 -11.638 -0.826 17.571 1.00 2.12 H new ATOM 0 HG2 PRO A 91 -14.338 -0.516 18.869 1.00 33.31 H new ATOM 0 HG3 PRO A 91 -13.946 -0.681 17.168 1.00 33.31 H new ATOM 0 HD2 PRO A 91 -14.843 -2.792 18.636 1.00 60.25 H new ATOM 0 HD3 PRO A 91 -13.723 -3.012 17.306 1.00 60.25 H new ATOM 1255 N SER A 92 -10.942 -0.630 21.395 1.00 65.21 N ATOM 1256 CA SER A 92 -10.946 -0.063 22.738 1.00 72.32 C ATOM 1257 C SER A 92 -10.083 1.194 22.800 1.00 23.21 C ATOM 1258 O SER A 92 -9.389 1.530 21.841 1.00 71.33 O ATOM 1259 CB SER A 92 -10.439 -1.092 23.750 1.00 75.24 C ATOM 1260 OG SER A 92 -11.403 -1.334 24.760 1.00 4.04 O ATOM 0 H SER A 92 -10.075 -0.484 20.877 1.00 65.21 H new ATOM 0 HA SER A 92 -11.972 0.208 22.988 1.00 72.32 H new ATOM 0 HB2 SER A 92 -10.203 -2.025 23.237 1.00 75.24 H new ATOM 0 HB3 SER A 92 -9.514 -0.735 24.204 1.00 75.24 H new ATOM 0 HG SER A 92 -11.055 -1.996 25.393 1.00 4.04 H new ATOM 1266 N ASN A 93 -10.135 1.886 23.934 1.00 24.25 N ATOM 1267 CA ASN A 93 -9.361 3.107 24.121 1.00 32.34 C ATOM 1268 C ASN A 93 -9.712 4.142 23.056 1.00 54.22 C ATOM 1269 O ASN A 93 -8.828 4.705 22.409 1.00 41.33 O ATOM 1270 CB ASN A 93 -7.863 2.797 24.073 1.00 41.34 C ATOM 1271 CG ASN A 93 -7.338 2.275 25.397 1.00 42.31 C ATOM 1272 OD1 ASN A 93 -6.881 3.044 26.242 1.00 61.33 O ATOM 1273 ND2 ASN A 93 -7.402 0.962 25.582 1.00 52.12 N ATOM 0 H ASN A 93 -10.705 1.621 24.737 1.00 24.25 H new ATOM 0 HA ASN A 93 -9.609 3.520 25.099 1.00 32.34 H new ATOM 0 HB2 ASN A 93 -7.672 2.060 23.293 1.00 41.34 H new ATOM 0 HB3 ASN A 93 -7.317 3.699 23.799 1.00 41.34 H new ATOM 0 HD21 ASN A 93 -7.064 0.553 26.453 1.00 52.12 H new ATOM 0 HD22 ASN A 93 -7.789 0.363 24.853 1.00 52.12 H new ATOM 1280 N CYS A 94 -11.005 4.387 22.881 1.00 34.40 N ATOM 1281 CA CYS A 94 -11.473 5.354 21.895 1.00 41.41 C ATOM 1282 C CYS A 94 -11.074 6.772 22.292 1.00 22.01 C ATOM 1283 O CYS A 94 -11.672 7.370 23.186 1.00 2.23 O ATOM 1284 CB CYS A 94 -12.992 5.264 21.742 1.00 21.03 C ATOM 1285 SG CYS A 94 -13.695 6.485 20.609 1.00 14.33 S ATOM 0 H CYS A 94 -11.748 3.930 23.409 1.00 34.40 H new ATOM 0 HA CYS A 94 -11.004 5.117 20.940 1.00 41.41 H new ATOM 0 HB2 CYS A 94 -13.252 4.266 21.390 1.00 21.03 H new ATOM 0 HB3 CYS A 94 -13.453 5.386 22.722 1.00 21.03 H new ATOM 0 HG CYS A 94 -13.928 5.926 19.459 1.00 14.33 H new ATOM 1291 N LYS A 95 -10.057 7.304 21.622 1.00 61.13 N ATOM 1292 CA LYS A 95 -9.575 8.651 21.904 1.00 22.52 C ATOM 1293 C LYS A 95 -9.593 9.510 20.643 1.00 21.11 C ATOM 1294 O LYS A 95 -9.325 9.023 19.544 1.00 73.31 O ATOM 1295 CB LYS A 95 -8.159 8.599 22.479 1.00 51.23 C ATOM 1296 CG LYS A 95 -8.119 8.362 23.979 1.00 35.04 C ATOM 1297 CD LYS A 95 -8.127 6.878 24.309 1.00 21.13 C ATOM 1298 CE LYS A 95 -7.883 6.635 25.790 1.00 55.52 C ATOM 1299 NZ LYS A 95 -6.440 6.417 26.086 1.00 32.00 N ATOM 0 H LYS A 95 -9.550 6.822 20.879 1.00 61.13 H new ATOM 0 HA LYS A 95 -10.242 9.102 22.639 1.00 22.52 H new ATOM 0 HB2 LYS A 95 -7.602 7.806 21.980 1.00 51.23 H new ATOM 0 HB3 LYS A 95 -7.650 9.536 22.254 1.00 51.23 H new ATOM 0 HG2 LYS A 95 -7.225 8.824 24.398 1.00 35.04 H new ATOM 0 HG3 LYS A 95 -8.977 8.845 24.448 1.00 35.04 H new ATOM 0 HD2 LYS A 95 -9.085 6.445 24.021 1.00 21.13 H new ATOM 0 HD3 LYS A 95 -7.360 6.370 23.725 1.00 21.13 H new ATOM 0 HE2 LYS A 95 -8.246 7.488 26.363 1.00 55.52 H new ATOM 0 HE3 LYS A 95 -8.456 5.766 26.115 1.00 55.52 H new ATOM 0 HZ1 LYS A 95 -6.315 6.255 27.106 1.00 32.00 H new ATOM 0 HZ2 LYS A 95 -6.099 5.588 25.559 1.00 32.00 H new ATOM 0 HZ3 LYS A 95 -5.896 7.256 25.800 1.00 32.00 H new ATOM 1313 N LEU A 96 -9.909 10.789 20.809 1.00 50.43 N ATOM 1314 CA LEU A 96 -9.959 11.717 19.684 1.00 72.21 C ATOM 1315 C LEU A 96 -9.861 13.161 20.164 1.00 52.05 C ATOM 1316 O LEU A 96 -10.347 13.502 21.242 1.00 62.11 O ATOM 1317 CB LEU A 96 -11.252 11.518 18.892 1.00 43.21 C ATOM 1318 CG LEU A 96 -12.496 12.208 19.452 1.00 30.22 C ATOM 1319 CD1 LEU A 96 -12.646 13.601 18.861 1.00 23.44 C ATOM 1320 CD2 LEU A 96 -13.738 11.372 19.177 1.00 42.20 C ATOM 0 H LEU A 96 -10.135 11.208 21.711 1.00 50.43 H new ATOM 0 HA LEU A 96 -9.107 11.511 19.036 1.00 72.21 H new ATOM 0 HB2 LEU A 96 -11.090 11.875 17.875 1.00 43.21 H new ATOM 0 HB3 LEU A 96 -11.453 10.449 18.826 1.00 43.21 H new ATOM 0 HG LEU A 96 -12.380 12.305 20.531 1.00 30.22 H new ATOM 0 HD11 LEU A 96 -13.537 14.076 19.271 1.00 23.44 H new ATOM 0 HD12 LEU A 96 -11.769 14.198 19.110 1.00 23.44 H new ATOM 0 HD13 LEU A 96 -12.740 13.528 17.777 1.00 23.44 H new ATOM 0 HD21 LEU A 96 -14.614 11.878 19.582 1.00 42.20 H new ATOM 0 HD22 LEU A 96 -13.859 11.243 18.101 1.00 42.20 H new ATOM 0 HD23 LEU A 96 -13.632 10.396 19.650 1.00 42.20 H new ATOM 1332 N ASN A 97 -9.231 14.006 19.356 1.00 51.34 N ATOM 1333 CA ASN A 97 -9.070 15.416 19.698 1.00 73.40 C ATOM 1334 C ASN A 97 -8.273 15.574 20.989 1.00 42.14 C ATOM 1335 O ASN A 97 -8.729 16.212 21.938 1.00 41.21 O ATOM 1336 CB ASN A 97 -10.438 16.085 19.844 1.00 14.32 C ATOM 1337 CG ASN A 97 -10.342 17.599 19.857 1.00 1.23 C ATOM 1338 OD1 ASN A 97 -9.385 18.176 19.341 1.00 72.41 O ATOM 1339 ND2 ASN A 97 -11.338 18.249 20.448 1.00 44.21 N ATOM 0 H ASN A 97 -8.823 13.740 18.460 1.00 51.34 H new ATOM 0 HA ASN A 97 -8.520 15.901 18.891 1.00 73.40 H new ATOM 0 HB2 ASN A 97 -11.082 15.771 19.023 1.00 14.32 H new ATOM 0 HB3 ASN A 97 -10.909 15.745 20.766 1.00 14.32 H new ATOM 0 HD21 ASN A 97 -11.330 19.268 20.487 1.00 44.21 H new ATOM 0 HD22 ASN A 97 -12.111 17.729 20.863 1.00 44.21 H new ATOM 1346 N GLY A 98 -7.079 14.991 21.017 1.00 12.24 N ATOM 1347 CA GLY A 98 -6.236 15.080 22.196 1.00 24.24 C ATOM 1348 C GLY A 98 -6.716 14.182 23.319 1.00 33.41 C ATOM 1349 O GLY A 98 -6.683 14.566 24.487 1.00 51.30 O ATOM 0 H GLY A 98 -6.680 14.458 20.244 1.00 12.24 H new ATOM 0 HA2 GLY A 98 -5.214 14.810 21.930 1.00 24.24 H new ATOM 0 HA3 GLY A 98 -6.212 16.112 22.545 1.00 24.24 H new ATOM 1353 N GLY A 99 -7.163 12.981 22.965 1.00 4.33 N ATOM 1354 CA GLY A 99 -7.646 12.045 23.963 1.00 73.22 C ATOM 1355 C GLY A 99 -8.846 12.576 24.724 1.00 53.54 C ATOM 1356 O GLY A 99 -8.781 12.776 25.937 1.00 11.32 O ATOM 0 H GLY A 99 -7.199 12.640 22.005 1.00 4.33 H new ATOM 0 HA2 GLY A 99 -7.914 11.107 23.477 1.00 73.22 H new ATOM 0 HA3 GLY A 99 -6.843 11.822 24.666 1.00 73.22 H new ATOM 1360 N SER A 100 -9.942 12.807 24.010 1.00 24.22 N ATOM 1361 CA SER A 100 -11.160 13.323 24.624 1.00 51.33 C ATOM 1362 C SER A 100 -12.397 12.819 23.888 1.00 13.04 C ATOM 1363 O SER A 100 -12.686 13.248 22.769 1.00 71.42 O ATOM 1364 CB SER A 100 -11.144 14.853 24.629 1.00 3.42 C ATOM 1365 OG SER A 100 -11.137 15.360 25.952 1.00 10.14 O ATOM 0 H SER A 100 -10.012 12.645 23.005 1.00 24.22 H new ATOM 0 HA SER A 100 -11.199 12.963 25.652 1.00 51.33 H new ATOM 0 HB2 SER A 100 -10.265 15.212 24.094 1.00 3.42 H new ATOM 0 HB3 SER A 100 -12.017 15.230 24.097 1.00 3.42 H new ATOM 0 HG SER A 100 -11.125 16.340 25.927 1.00 10.14 H new ATOM 1371 N CYS A 101 -13.122 11.904 24.521 1.00 64.31 N ATOM 1372 CA CYS A 101 -14.328 11.338 23.928 1.00 11.45 C ATOM 1373 C CYS A 101 -15.368 11.027 24.998 1.00 74.33 C ATOM 1374 O CYS A 101 -15.036 10.522 26.072 1.00 61.03 O ATOM 1375 CB CYS A 101 -13.988 10.069 23.144 1.00 60.31 C ATOM 1376 SG CYS A 101 -15.427 9.222 22.451 1.00 61.31 S ATOM 0 H CYS A 101 -12.895 11.538 25.446 1.00 64.31 H new ATOM 0 HA CYS A 101 -14.748 12.077 23.245 1.00 11.45 H new ATOM 0 HB2 CYS A 101 -13.307 10.327 22.333 1.00 60.31 H new ATOM 0 HB3 CYS A 101 -13.456 9.381 23.801 1.00 60.31 H new ATOM 0 HG CYS A 101 -15.033 8.203 21.747 1.00 61.31 H new