USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=26 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 67 THR OG1 : rot 180:sc= -0.208 USER MOD Set 1.2: A 69 ASN : amide:sc= -0.47 X(o=-0.68,f=-0.88) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.0578 K(o=0.058,f=-4!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 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= -0.244 X(o=-0.24,f=-0.24) USER MOD Single : A 24 ASN : amide:sc= 0.374 K(o=0.37,f=-3.9!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 25:sc= 0.985 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0.38) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00177 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0446 USER MOD Single : A 47 SER OG : rot 150:sc= -2.83! USER MOD Single : A 48 SER OG : rot 180:sc= 0.118 USER MOD Single : A 49 ASN : amide:sc= 0.02 X(o=0.02,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 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= -0.169 X(o=-0.17,f=-0.67) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0331 USER MOD Single : A 61 SER OG : rot 98:sc= 0.94 USER MOD Single : A 62 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.64) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0.26) USER MOD Single : A 72 ASN : amide:sc= -0.012 X(o=-0.012,f=-0.25) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.82) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 89:sc= 0.896 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 K(o=0,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 15.954 0.661 2.061 1.00 5.43 N ATOM 72 CA VAL A 6 17.033 -0.294 2.285 1.00 1.30 C ATOM 73 C VAL A 6 17.814 0.045 3.550 1.00 53.41 C ATOM 74 O VAL A 6 18.863 0.686 3.491 1.00 11.51 O ATOM 75 CB VAL A 6 18.005 -0.333 1.090 1.00 34.15 C ATOM 76 CG1 VAL A 6 18.398 1.076 0.675 1.00 52.30 C ATOM 77 CG2 VAL A 6 19.235 -1.160 1.432 1.00 0.10 C ATOM 0 HA VAL A 6 16.569 -1.274 2.399 1.00 1.30 H new ATOM 0 HB VAL A 6 17.500 -0.806 0.248 1.00 34.15 H new ATOM 0 HG11 VAL A 6 19.085 1.028 -0.170 1.00 52.30 H new ATOM 0 HG12 VAL A 6 17.506 1.633 0.387 1.00 52.30 H new ATOM 0 HG13 VAL A 6 18.885 1.579 1.510 1.00 52.30 H new ATOM 0 HG21 VAL A 6 19.911 -1.177 0.577 1.00 0.10 H new ATOM 0 HG22 VAL A 6 19.744 -0.718 2.288 1.00 0.10 H new ATOM 0 HG23 VAL A 6 18.932 -2.178 1.676 1.00 0.10 H new ATOM 87 N SER A 7 17.295 -0.390 4.694 1.00 53.14 N ATOM 88 CA SER A 7 17.941 -0.130 5.974 1.00 3.24 C ATOM 89 C SER A 7 18.710 -1.357 6.454 1.00 30.31 C ATOM 90 O SER A 7 18.152 -2.450 6.560 1.00 2.01 O ATOM 91 CB SER A 7 16.902 0.276 7.021 1.00 1.32 C ATOM 92 OG SER A 7 17.278 1.477 7.674 1.00 70.31 O ATOM 0 H SER A 7 16.429 -0.924 4.760 1.00 53.14 H new ATOM 0 HA SER A 7 18.647 0.689 5.836 1.00 3.24 H new ATOM 0 HB2 SER A 7 15.931 0.407 6.543 1.00 1.32 H new ATOM 0 HB3 SER A 7 16.791 -0.522 7.756 1.00 1.32 H new ATOM 0 HG SER A 7 16.597 1.716 8.337 1.00 70.31 H new ATOM 98 N ILE A 8 19.993 -1.169 6.742 1.00 2.53 N ATOM 99 CA ILE A 8 20.839 -2.259 7.212 1.00 73.24 C ATOM 100 C ILE A 8 21.617 -1.854 8.459 1.00 72.01 C ATOM 101 O ILE A 8 22.104 -0.728 8.561 1.00 63.35 O ATOM 102 CB ILE A 8 21.832 -2.709 6.124 1.00 22.32 C ATOM 103 CG1 ILE A 8 21.118 -2.855 4.779 1.00 41.42 C ATOM 104 CG2 ILE A 8 22.495 -4.019 6.522 1.00 23.52 C ATOM 105 CD1 ILE A 8 21.160 -1.601 3.934 1.00 43.41 C ATOM 0 H ILE A 8 20.470 -0.271 6.658 1.00 2.53 H new ATOM 0 HA ILE A 8 20.177 -3.090 7.455 1.00 73.24 H new ATOM 0 HB ILE A 8 22.606 -1.948 6.022 1.00 22.32 H new ATOM 0 HG12 ILE A 8 21.573 -3.674 4.222 1.00 41.42 H new ATOM 0 HG13 ILE A 8 20.078 -3.129 4.957 1.00 41.42 H new ATOM 0 HG21 ILE A 8 23.194 -4.324 5.743 1.00 23.52 H new ATOM 0 HG22 ILE A 8 23.033 -3.884 7.460 1.00 23.52 H new ATOM 0 HG23 ILE A 8 21.733 -4.789 6.648 1.00 23.52 H new ATOM 0 HD11 ILE A 8 20.635 -1.777 2.995 1.00 43.41 H new ATOM 0 HD12 ILE A 8 20.679 -0.784 4.471 1.00 43.41 H new ATOM 0 HD13 ILE A 8 22.197 -1.337 3.726 1.00 43.41 H new ATOM 117 N SER A 9 21.731 -2.780 9.406 1.00 75.14 N ATOM 118 CA SER A 9 22.448 -2.519 10.648 1.00 61.11 C ATOM 119 C SER A 9 23.694 -3.393 10.749 1.00 24.33 C ATOM 120 O SER A 9 23.602 -4.609 10.922 1.00 1.43 O ATOM 121 CB SER A 9 21.536 -2.770 11.851 1.00 43.24 C ATOM 122 OG SER A 9 21.269 -1.565 12.548 1.00 60.42 O ATOM 0 H SER A 9 21.336 -3.718 9.336 1.00 75.14 H new ATOM 0 HA SER A 9 22.757 -1.474 10.648 1.00 61.11 H new ATOM 0 HB2 SER A 9 20.599 -3.215 11.515 1.00 43.24 H new ATOM 0 HB3 SER A 9 22.006 -3.487 12.524 1.00 43.24 H new ATOM 0 HG SER A 9 20.683 -1.751 13.311 1.00 60.42 H new ATOM 128 N VAL A 10 24.861 -2.765 10.640 1.00 13.12 N ATOM 129 CA VAL A 10 26.127 -3.484 10.720 1.00 13.45 C ATOM 130 C VAL A 10 26.804 -3.255 12.067 1.00 43.31 C ATOM 131 O VAL A 10 26.890 -2.124 12.546 1.00 62.12 O ATOM 132 CB VAL A 10 27.087 -3.055 9.595 1.00 25.53 C ATOM 133 CG1 VAL A 10 27.438 -1.581 9.725 1.00 61.04 C ATOM 134 CG2 VAL A 10 28.343 -3.914 9.612 1.00 22.00 C ATOM 0 H VAL A 10 24.956 -1.760 10.496 1.00 13.12 H new ATOM 0 HA VAL A 10 25.898 -4.544 10.607 1.00 13.45 H new ATOM 0 HB VAL A 10 26.586 -3.201 8.638 1.00 25.53 H new ATOM 0 HG11 VAL A 10 28.117 -1.296 8.921 1.00 61.04 H new ATOM 0 HG12 VAL A 10 26.529 -0.983 9.660 1.00 61.04 H new ATOM 0 HG13 VAL A 10 27.920 -1.405 10.687 1.00 61.04 H new ATOM 0 HG21 VAL A 10 29.011 -3.598 8.811 1.00 22.00 H new ATOM 0 HG22 VAL A 10 28.848 -3.801 10.571 1.00 22.00 H new ATOM 0 HG23 VAL A 10 28.071 -4.959 9.466 1.00 22.00 H new ATOM 144 N SER A 11 27.285 -4.336 12.673 1.00 53.22 N ATOM 145 CA SER A 11 27.952 -4.254 13.967 1.00 44.24 C ATOM 146 C SER A 11 29.418 -4.661 13.848 1.00 31.34 C ATOM 147 O SER A 11 29.834 -5.721 14.318 1.00 51.15 O ATOM 148 CB SER A 11 27.244 -5.146 14.987 1.00 31.24 C ATOM 149 OG SER A 11 26.034 -4.555 15.429 1.00 41.11 O ATOM 0 H SER A 11 27.225 -5.279 12.288 1.00 53.22 H new ATOM 0 HA SER A 11 27.906 -3.220 14.307 1.00 44.24 H new ATOM 0 HB2 SER A 11 27.036 -6.119 14.541 1.00 31.24 H new ATOM 0 HB3 SER A 11 27.900 -5.320 15.840 1.00 31.24 H new ATOM 0 HG SER A 11 25.600 -5.146 16.079 1.00 41.11 H new ATOM 155 N PRO A 12 30.221 -3.800 13.206 1.00 73.01 N ATOM 156 CA PRO A 12 31.652 -4.047 13.011 1.00 63.34 C ATOM 157 C PRO A 12 32.439 -3.960 14.314 1.00 12.11 C ATOM 158 O PRO A 12 32.028 -3.280 15.255 1.00 5.41 O ATOM 159 CB PRO A 12 32.078 -2.931 12.054 1.00 72.05 C ATOM 160 CG PRO A 12 31.091 -1.839 12.283 1.00 52.13 C ATOM 161 CD PRO A 12 29.793 -2.518 12.621 1.00 34.20 C ATOM 0 HA PRO A 12 31.843 -5.050 12.630 1.00 63.34 H new ATOM 0 HB2 PRO A 12 33.094 -2.597 12.263 1.00 72.05 H new ATOM 0 HB3 PRO A 12 32.061 -3.270 11.018 1.00 72.05 H new ATOM 0 HG2 PRO A 12 31.413 -1.186 13.094 1.00 52.13 H new ATOM 0 HG3 PRO A 12 30.986 -1.216 11.395 1.00 52.13 H new ATOM 0 HD2 PRO A 12 29.204 -1.931 13.326 1.00 34.20 H new ATOM 0 HD3 PRO A 12 29.175 -2.667 11.736 1.00 34.20 H new ATOM 169 N THR A 13 33.572 -4.653 14.364 1.00 44.34 N ATOM 170 CA THR A 13 34.416 -4.654 15.552 1.00 41.20 C ATOM 171 C THR A 13 35.776 -4.030 15.261 1.00 1.54 C ATOM 172 O THR A 13 36.570 -4.576 14.497 1.00 32.40 O ATOM 173 CB THR A 13 34.624 -6.081 16.092 1.00 61.41 C ATOM 174 OG1 THR A 13 33.561 -6.932 15.649 1.00 31.33 O ATOM 175 CG2 THR A 13 34.681 -6.082 17.612 1.00 5.11 C ATOM 0 H THR A 13 33.926 -5.221 13.595 1.00 44.34 H new ATOM 0 HA THR A 13 33.900 -4.059 16.306 1.00 41.20 H new ATOM 0 HB THR A 13 35.573 -6.456 15.709 1.00 61.41 H new ATOM 0 HG1 THR A 13 33.701 -7.838 15.995 1.00 31.33 H new ATOM 0 HG21 THR A 13 34.828 -7.101 17.970 1.00 5.11 H new ATOM 0 HG22 THR A 13 35.509 -5.457 17.945 1.00 5.11 H new ATOM 0 HG23 THR A 13 33.746 -5.689 18.011 1.00 5.11 H new ATOM 183 N ASN A 14 36.039 -2.881 15.877 1.00 74.21 N ATOM 184 CA ASN A 14 37.304 -2.182 15.684 1.00 70.32 C ATOM 185 C ASN A 14 38.267 -2.473 16.831 1.00 33.21 C ATOM 186 O ASN A 14 38.126 -1.929 17.926 1.00 2.41 O ATOM 187 CB ASN A 14 37.066 -0.675 15.572 1.00 2.04 C ATOM 188 CG ASN A 14 36.317 -0.118 16.768 1.00 44.13 C ATOM 189 OD1 ASN A 14 35.194 -0.529 17.057 1.00 31.53 O ATOM 190 ND2 ASN A 14 36.939 0.824 17.468 1.00 35.23 N ATOM 0 H ASN A 14 35.393 -2.415 16.514 1.00 74.21 H new ATOM 0 HA ASN A 14 37.752 -2.542 14.758 1.00 70.32 H new ATOM 0 HB2 ASN A 14 38.024 -0.165 15.477 1.00 2.04 H new ATOM 0 HB3 ASN A 14 36.502 -0.465 14.663 1.00 2.04 H new ATOM 0 HD21 ASN A 14 36.485 1.237 18.283 1.00 35.23 H new ATOM 0 HD22 ASN A 14 37.870 1.134 17.191 1.00 35.23 H new ATOM 197 N SER A 15 39.245 -3.335 16.572 1.00 52.14 N ATOM 198 CA SER A 15 40.229 -3.701 17.583 1.00 4.00 C ATOM 199 C SER A 15 41.437 -4.380 16.945 1.00 63.14 C ATOM 200 O SER A 15 41.584 -4.393 15.722 1.00 50.41 O ATOM 201 CB SER A 15 39.601 -4.628 18.625 1.00 13.22 C ATOM 202 OG SER A 15 39.946 -4.226 19.940 1.00 41.05 O ATOM 0 H SER A 15 39.377 -3.793 15.670 1.00 52.14 H new ATOM 0 HA SER A 15 40.564 -2.788 18.075 1.00 4.00 H new ATOM 0 HB2 SER A 15 38.517 -4.624 18.513 1.00 13.22 H new ATOM 0 HB3 SER A 15 39.936 -5.651 18.455 1.00 13.22 H new ATOM 0 HG SER A 15 39.531 -4.833 20.587 1.00 41.05 H new ATOM 208 N THR A 16 42.302 -4.945 17.782 1.00 72.12 N ATOM 209 CA THR A 16 43.498 -5.625 17.301 1.00 32.45 C ATOM 210 C THR A 16 43.337 -7.139 17.377 1.00 22.44 C ATOM 211 O THR A 16 42.636 -7.657 18.247 1.00 1.43 O ATOM 212 CB THR A 16 44.742 -5.211 18.109 1.00 23.43 C ATOM 213 OG1 THR A 16 44.669 -5.751 19.434 1.00 75.04 O ATOM 214 CG2 THR A 16 44.863 -3.697 18.179 1.00 14.44 C ATOM 0 H THR A 16 42.196 -4.945 18.796 1.00 72.12 H new ATOM 0 HA THR A 16 43.634 -5.329 16.261 1.00 32.45 H new ATOM 0 HB THR A 16 45.623 -5.607 17.604 1.00 23.43 H new ATOM 0 HG1 THR A 16 45.465 -5.484 19.940 1.00 75.04 H new ATOM 0 HG21 THR A 16 45.749 -3.429 18.755 1.00 14.44 H new ATOM 0 HG22 THR A 16 44.949 -3.292 17.171 1.00 14.44 H new ATOM 0 HG23 THR A 16 43.978 -3.283 18.662 1.00 14.44 H new ATOM 222 N VAL A 17 43.992 -7.846 16.461 1.00 33.14 N ATOM 223 CA VAL A 17 43.923 -9.302 16.426 1.00 72.01 C ATOM 224 C VAL A 17 45.303 -9.912 16.212 1.00 24.53 C ATOM 225 O VAL A 17 46.195 -9.276 15.652 1.00 52.23 O ATOM 226 CB VAL A 17 42.979 -9.792 15.312 1.00 71.30 C ATOM 227 CG1 VAL A 17 43.578 -9.513 13.942 1.00 4.53 C ATOM 228 CG2 VAL A 17 42.682 -11.275 15.480 1.00 14.33 C ATOM 0 H VAL A 17 44.576 -7.434 15.734 1.00 33.14 H new ATOM 0 HA VAL A 17 43.532 -9.624 17.391 1.00 72.01 H new ATOM 0 HB VAL A 17 42.040 -9.245 15.390 1.00 71.30 H new ATOM 0 HG11 VAL A 17 42.897 -9.866 13.168 1.00 4.53 H new ATOM 0 HG12 VAL A 17 43.735 -8.441 13.825 1.00 4.53 H new ATOM 0 HG13 VAL A 17 44.532 -10.032 13.850 1.00 4.53 H new ATOM 0 HG21 VAL A 17 42.014 -11.605 14.685 1.00 14.33 H new ATOM 0 HG22 VAL A 17 43.613 -11.840 15.430 1.00 14.33 H new ATOM 0 HG23 VAL A 17 42.207 -11.444 16.446 1.00 14.33 H new ATOM 238 N ALA A 18 45.473 -11.151 16.663 1.00 73.31 N ATOM 239 CA ALA A 18 46.744 -11.849 16.519 1.00 61.41 C ATOM 240 C ALA A 18 47.014 -12.203 15.060 1.00 31.34 C ATOM 241 O ALA A 18 46.098 -12.233 14.238 1.00 42.10 O ATOM 242 CB ALA A 18 46.758 -13.104 17.380 1.00 52.13 C ATOM 0 H ALA A 18 44.746 -11.692 17.131 1.00 73.31 H new ATOM 0 HA ALA A 18 47.537 -11.181 16.856 1.00 61.41 H new ATOM 0 HB1 ALA A 18 47.713 -13.615 17.262 1.00 52.13 H new ATOM 0 HB2 ALA A 18 46.620 -12.829 18.426 1.00 52.13 H new ATOM 0 HB3 ALA A 18 45.951 -13.767 17.069 1.00 52.13 H new ATOM 248 N LYS A 19 48.277 -12.471 14.745 1.00 13.22 N ATOM 249 CA LYS A 19 48.668 -12.824 13.386 1.00 43.53 C ATOM 250 C LYS A 19 47.802 -13.958 12.847 1.00 41.41 C ATOM 251 O LYS A 19 47.547 -14.941 13.541 1.00 1.44 O ATOM 252 CB LYS A 19 50.143 -13.231 13.347 1.00 32.22 C ATOM 253 CG LYS A 19 50.443 -14.501 14.125 1.00 63.14 C ATOM 254 CD LYS A 19 50.657 -15.685 13.197 1.00 62.31 C ATOM 255 CE LYS A 19 52.136 -15.933 12.941 1.00 50.54 C ATOM 256 NZ LYS A 19 52.709 -14.936 11.994 1.00 71.34 N ATOM 0 H LYS A 19 49.047 -12.450 15.413 1.00 13.22 H new ATOM 0 HA LYS A 19 48.522 -11.948 12.754 1.00 43.53 H new ATOM 0 HB2 LYS A 19 50.446 -13.370 12.309 1.00 32.22 H new ATOM 0 HB3 LYS A 19 50.747 -12.417 13.749 1.00 32.22 H new ATOM 0 HG2 LYS A 19 51.332 -14.352 14.738 1.00 63.14 H new ATOM 0 HG3 LYS A 19 49.619 -14.715 14.806 1.00 63.14 H new ATOM 0 HD2 LYS A 19 50.208 -16.577 13.634 1.00 62.31 H new ATOM 0 HD3 LYS A 19 50.148 -15.503 12.250 1.00 62.31 H new ATOM 0 HE2 LYS A 19 52.680 -15.892 13.885 1.00 50.54 H new ATOM 0 HE3 LYS A 19 52.272 -16.937 12.538 1.00 50.54 H new ATOM 0 HZ1 LYS A 19 53.718 -15.139 11.845 1.00 71.34 H new ATOM 0 HZ2 LYS A 19 52.207 -14.992 11.085 1.00 71.34 H new ATOM 0 HZ3 LYS A 19 52.603 -13.980 12.390 1.00 71.34 H new ATOM 270 N GLY A 20 47.353 -13.814 11.603 1.00 24.45 N ATOM 271 CA GLY A 20 46.522 -14.835 10.993 1.00 61.13 C ATOM 272 C GLY A 20 45.330 -15.203 11.853 1.00 32.33 C ATOM 273 O GLY A 20 45.404 -16.123 12.669 1.00 31.12 O ATOM 0 H GLY A 20 47.550 -13.009 11.008 1.00 24.45 H new ATOM 0 HA2 GLY A 20 46.171 -14.482 10.023 1.00 61.13 H new ATOM 0 HA3 GLY A 20 47.123 -15.726 10.810 1.00 61.13 H new ATOM 277 N LEU A 21 44.228 -14.484 11.674 1.00 52.45 N ATOM 278 CA LEU A 21 43.014 -14.738 12.441 1.00 31.35 C ATOM 279 C LEU A 21 41.772 -14.369 11.636 1.00 44.10 C ATOM 280 O LEU A 21 41.870 -13.742 10.581 1.00 33.42 O ATOM 281 CB LEU A 21 43.040 -13.948 13.751 1.00 40.11 C ATOM 282 CG LEU A 21 42.604 -14.709 15.003 1.00 21.33 C ATOM 283 CD1 LEU A 21 43.636 -14.552 16.110 1.00 55.13 C ATOM 284 CD2 LEU A 21 41.239 -14.228 15.472 1.00 52.20 C ATOM 0 H LEU A 21 44.150 -13.719 11.003 1.00 52.45 H new ATOM 0 HA LEU A 21 42.974 -15.804 12.667 1.00 31.35 H new ATOM 0 HB2 LEU A 21 44.053 -13.579 13.909 1.00 40.11 H new ATOM 0 HB3 LEU A 21 42.397 -13.075 13.638 1.00 40.11 H new ATOM 0 HG LEU A 21 42.528 -15.767 14.753 1.00 21.33 H new ATOM 0 HD11 LEU A 21 43.309 -15.100 16.993 1.00 55.13 H new ATOM 0 HD12 LEU A 21 44.594 -14.947 15.773 1.00 55.13 H new ATOM 0 HD13 LEU A 21 43.745 -13.496 16.358 1.00 55.13 H new ATOM 0 HD21 LEU A 21 40.945 -14.781 16.364 1.00 52.20 H new ATOM 0 HD22 LEU A 21 41.288 -13.164 15.704 1.00 52.20 H new ATOM 0 HD23 LEU A 21 40.504 -14.394 14.684 1.00 52.20 H new ATOM 296 N GLN A 22 40.607 -14.760 12.142 1.00 42.30 N ATOM 297 CA GLN A 22 39.347 -14.468 11.470 1.00 54.14 C ATOM 298 C GLN A 22 38.390 -13.733 12.402 1.00 35.14 C ATOM 299 O GLN A 22 38.316 -14.034 13.593 1.00 32.21 O ATOM 300 CB GLN A 22 38.699 -15.761 10.971 1.00 42.24 C ATOM 301 CG GLN A 22 37.420 -15.535 10.181 1.00 31.31 C ATOM 302 CD GLN A 22 36.602 -16.802 10.021 1.00 13.55 C ATOM 303 OE1 GLN A 22 35.754 -17.116 10.857 1.00 12.02 O ATOM 304 NE2 GLN A 22 36.852 -17.536 8.944 1.00 32.41 N ATOM 0 H GLN A 22 40.510 -15.279 13.014 1.00 42.30 H new ATOM 0 HA GLN A 22 39.560 -13.824 10.617 1.00 54.14 H new ATOM 0 HB2 GLN A 22 39.413 -16.297 10.345 1.00 42.24 H new ATOM 0 HB3 GLN A 22 38.480 -16.401 11.826 1.00 42.24 H new ATOM 0 HG2 GLN A 22 36.817 -14.778 10.682 1.00 31.31 H new ATOM 0 HG3 GLN A 22 37.671 -15.142 9.196 1.00 31.31 H new ATOM 0 HE21 GLN A 22 37.564 -17.237 8.277 1.00 32.41 H new ATOM 0 HE22 GLN A 22 36.332 -18.399 8.783 1.00 32.41 H new ATOM 313 N GLU A 23 37.659 -12.768 11.852 1.00 20.13 N ATOM 314 CA GLU A 23 36.707 -11.990 12.637 1.00 45.13 C ATOM 315 C GLU A 23 35.293 -12.143 12.084 1.00 22.04 C ATOM 316 O GLU A 23 35.084 -12.126 10.872 1.00 12.43 O ATOM 317 CB GLU A 23 37.107 -10.513 12.645 1.00 54.24 C ATOM 318 CG GLU A 23 37.055 -9.876 14.023 1.00 3.22 C ATOM 319 CD GLU A 23 38.428 -9.738 14.654 1.00 75.43 C ATOM 320 OE1 GLU A 23 39.048 -10.778 14.958 1.00 21.22 O ATOM 321 OE2 GLU A 23 38.881 -8.590 14.842 1.00 13.12 O ATOM 0 H GLU A 23 37.708 -12.507 10.867 1.00 20.13 H new ATOM 0 HA GLU A 23 36.721 -12.369 13.659 1.00 45.13 H new ATOM 0 HB2 GLU A 23 38.117 -10.417 12.247 1.00 54.24 H new ATOM 0 HB3 GLU A 23 36.447 -9.963 11.974 1.00 54.24 H new ATOM 0 HG2 GLU A 23 36.594 -8.891 13.947 1.00 3.22 H new ATOM 0 HG3 GLU A 23 36.419 -10.477 14.673 1.00 3.22 H new ATOM 328 N ASN A 24 34.326 -12.294 12.984 1.00 42.43 N ATOM 329 CA ASN A 24 32.932 -12.451 12.587 1.00 34.12 C ATOM 330 C ASN A 24 32.159 -11.151 12.787 1.00 41.42 C ATOM 331 O ASN A 24 32.351 -10.448 13.779 1.00 4.31 O ATOM 332 CB ASN A 24 32.275 -13.576 13.391 1.00 42.44 C ATOM 333 CG ASN A 24 32.311 -13.316 14.884 1.00 23.23 C ATOM 334 OD1 ASN A 24 33.375 -13.087 15.460 1.00 11.22 O ATOM 335 ND2 ASN A 24 31.145 -13.352 15.519 1.00 4.22 N ATOM 0 H ASN A 24 34.482 -12.311 13.992 1.00 42.43 H new ATOM 0 HA ASN A 24 32.909 -12.708 11.528 1.00 34.12 H new ATOM 0 HB2 ASN A 24 31.240 -13.692 13.070 1.00 42.44 H new ATOM 0 HB3 ASN A 24 32.782 -14.517 13.176 1.00 42.44 H new ATOM 0 HD21 ASN A 24 31.107 -13.186 16.525 1.00 4.22 H new ATOM 0 HD22 ASN A 24 30.288 -13.546 15.001 1.00 4.22 H new ATOM 342 N PHE A 25 31.284 -10.837 11.837 1.00 0.01 N ATOM 343 CA PHE A 25 30.482 -9.621 11.908 1.00 42.02 C ATOM 344 C PHE A 25 28.996 -9.941 11.777 1.00 30.24 C ATOM 345 O PHE A 25 28.593 -11.104 11.819 1.00 43.11 O ATOM 346 CB PHE A 25 30.903 -8.643 10.809 1.00 0.32 C ATOM 347 CG PHE A 25 32.389 -8.440 10.724 1.00 12.43 C ATOM 348 CD1 PHE A 25 33.111 -8.039 11.837 1.00 62.51 C ATOM 349 CD2 PHE A 25 33.063 -8.649 9.532 1.00 20.22 C ATOM 350 CE1 PHE A 25 34.478 -7.851 11.761 1.00 23.11 C ATOM 351 CE2 PHE A 25 34.430 -8.463 9.451 1.00 42.25 C ATOM 352 CZ PHE A 25 35.139 -8.064 10.567 1.00 72.21 C ATOM 0 H PHE A 25 31.112 -11.408 11.009 1.00 0.01 H new ATOM 0 HA PHE A 25 30.652 -9.160 12.881 1.00 42.02 H new ATOM 0 HB2 PHE A 25 30.539 -9.009 9.849 1.00 0.32 H new ATOM 0 HB3 PHE A 25 30.422 -7.681 10.986 1.00 0.32 H new ATOM 0 HD1 PHE A 25 32.600 -7.872 12.774 1.00 62.51 H new ATOM 0 HD2 PHE A 25 32.514 -8.961 8.656 1.00 20.22 H new ATOM 0 HE1 PHE A 25 35.029 -7.538 12.635 1.00 23.11 H new ATOM 0 HE2 PHE A 25 34.944 -8.630 8.516 1.00 42.25 H new ATOM 0 HZ PHE A 25 36.207 -7.919 10.506 1.00 72.21 H new ATOM 362 N LYS A 26 28.184 -8.901 11.620 1.00 45.11 N ATOM 363 CA LYS A 26 26.743 -9.069 11.483 1.00 54.44 C ATOM 364 C LYS A 26 26.164 -8.035 10.521 1.00 32.52 C ATOM 365 O LYS A 26 26.379 -6.835 10.683 1.00 41.34 O ATOM 366 CB LYS A 26 26.062 -8.948 12.848 1.00 40.01 C ATOM 367 CG LYS A 26 25.144 -10.113 13.175 1.00 23.22 C ATOM 368 CD LYS A 26 24.608 -10.019 14.594 1.00 74.04 C ATOM 369 CE LYS A 26 23.813 -11.259 14.972 1.00 35.22 C ATOM 370 NZ LYS A 26 23.974 -11.603 16.412 1.00 20.40 N ATOM 0 H LYS A 26 28.500 -7.932 11.585 1.00 45.11 H new ATOM 0 HA LYS A 26 26.555 -10.063 11.077 1.00 54.44 H new ATOM 0 HB2 LYS A 26 26.827 -8.871 13.621 1.00 40.01 H new ATOM 0 HB3 LYS A 26 25.486 -8.023 12.877 1.00 40.01 H new ATOM 0 HG2 LYS A 26 24.312 -10.130 12.471 1.00 23.22 H new ATOM 0 HG3 LYS A 26 25.686 -11.051 13.051 1.00 23.22 H new ATOM 0 HD2 LYS A 26 25.437 -9.891 15.290 1.00 74.04 H new ATOM 0 HD3 LYS A 26 23.975 -9.137 14.687 1.00 74.04 H new ATOM 0 HE2 LYS A 26 22.758 -11.095 14.754 1.00 35.22 H new ATOM 0 HE3 LYS A 26 24.138 -12.100 14.359 1.00 35.22 H new ATOM 0 HZ1 LYS A 26 23.417 -12.454 16.630 1.00 20.40 H new ATOM 0 HZ2 LYS A 26 24.978 -11.785 16.615 1.00 20.40 H new ATOM 0 HZ3 LYS A 26 23.640 -10.811 16.998 1.00 20.40 H new ATOM 384 N ALA A 27 25.427 -8.511 9.522 1.00 5.31 N ATOM 385 CA ALA A 27 24.815 -7.628 8.537 1.00 10.33 C ATOM 386 C ALA A 27 23.397 -8.079 8.202 1.00 4.41 C ATOM 387 O ALA A 27 23.191 -9.171 7.672 1.00 54.21 O ATOM 388 CB ALA A 27 25.665 -7.572 7.277 1.00 63.42 C ATOM 0 H ALA A 27 25.240 -9.503 9.374 1.00 5.31 H new ATOM 0 HA ALA A 27 24.758 -6.628 8.967 1.00 10.33 H new ATOM 0 HB1 ALA A 27 25.195 -6.909 6.551 1.00 63.42 H new ATOM 0 HB2 ALA A 27 26.657 -7.195 7.524 1.00 63.42 H new ATOM 0 HB3 ALA A 27 25.752 -8.572 6.852 1.00 63.42 H new ATOM 394 N THR A 28 22.422 -7.231 8.515 1.00 30.11 N ATOM 395 CA THR A 28 21.024 -7.543 8.249 1.00 75.31 C ATOM 396 C THR A 28 20.413 -6.544 7.273 1.00 1.43 C ATOM 397 O THR A 28 20.184 -5.385 7.618 1.00 22.24 O ATOM 398 CB THR A 28 20.193 -7.550 9.546 1.00 73.41 C ATOM 399 OG1 THR A 28 20.182 -6.242 10.128 1.00 24.32 O ATOM 400 CG2 THR A 28 20.756 -8.551 10.544 1.00 40.21 C ATOM 0 H THR A 28 22.575 -6.323 8.953 1.00 30.11 H new ATOM 0 HA THR A 28 21.002 -8.539 7.806 1.00 75.31 H new ATOM 0 HB THR A 28 19.173 -7.844 9.297 1.00 73.41 H new ATOM 0 HG1 THR A 28 20.342 -5.572 9.431 1.00 24.32 H new ATOM 0 HG21 THR A 28 20.153 -8.538 11.452 1.00 40.21 H new ATOM 0 HG22 THR A 28 20.735 -9.550 10.109 1.00 40.21 H new ATOM 0 HG23 THR A 28 21.784 -8.283 10.788 1.00 40.21 H new ATOM 408 N GLY A 29 20.151 -7.000 6.052 1.00 13.22 N ATOM 409 CA GLY A 29 19.568 -6.132 5.045 1.00 2.04 C ATOM 410 C GLY A 29 18.054 -6.113 5.102 1.00 34.21 C ATOM 411 O GLY A 29 17.413 -7.165 5.113 1.00 24.04 O ATOM 0 H GLY A 29 20.332 -7.955 5.742 1.00 13.22 H new ATOM 0 HA2 GLY A 29 19.946 -5.119 5.180 1.00 2.04 H new ATOM 0 HA3 GLY A 29 19.887 -6.462 4.056 1.00 2.04 H new ATOM 415 N ILE A 30 17.479 -4.916 5.140 1.00 43.43 N ATOM 416 CA ILE A 30 16.031 -4.765 5.196 1.00 34.13 C ATOM 417 C ILE A 30 15.531 -3.836 4.095 1.00 0.13 C ATOM 418 O ILE A 30 15.847 -2.646 4.082 1.00 52.15 O ATOM 419 CB ILE A 30 15.575 -4.217 6.561 1.00 14.14 C ATOM 420 CG1 ILE A 30 16.123 -5.087 7.694 1.00 5.11 C ATOM 421 CG2 ILE A 30 14.056 -4.151 6.625 1.00 30.02 C ATOM 422 CD1 ILE A 30 17.028 -4.338 8.648 1.00 52.35 C ATOM 0 H ILE A 30 17.995 -4.036 5.133 1.00 43.43 H new ATOM 0 HA ILE A 30 15.605 -5.758 5.051 1.00 34.13 H new ATOM 0 HB ILE A 30 15.969 -3.208 6.680 1.00 14.14 H new ATOM 0 HG12 ILE A 30 15.288 -5.509 8.254 1.00 5.11 H new ATOM 0 HG13 ILE A 30 16.674 -5.924 7.265 1.00 5.11 H new ATOM 0 HG21 ILE A 30 13.749 -3.762 7.596 1.00 30.02 H new ATOM 0 HG22 ILE A 30 13.687 -3.494 5.838 1.00 30.02 H new ATOM 0 HG23 ILE A 30 13.642 -5.150 6.488 1.00 30.02 H new ATOM 0 HD11 ILE A 30 17.379 -5.017 9.425 1.00 52.35 H new ATOM 0 HD12 ILE A 30 17.882 -3.939 8.101 1.00 52.35 H new ATOM 0 HD13 ILE A 30 16.475 -3.518 9.106 1.00 52.35 H new ATOM 434 N PHE A 31 14.748 -4.387 3.174 1.00 54.30 N ATOM 435 CA PHE A 31 14.203 -3.607 2.069 1.00 73.34 C ATOM 436 C PHE A 31 12.682 -3.726 2.017 1.00 63.33 C ATOM 437 O PHE A 31 12.129 -4.821 2.128 1.00 51.21 O ATOM 438 CB PHE A 31 14.807 -4.072 0.742 1.00 4.01 C ATOM 439 CG PHE A 31 16.199 -4.621 0.877 1.00 31.14 C ATOM 440 CD1 PHE A 31 16.404 -5.962 1.160 1.00 3.10 C ATOM 441 CD2 PHE A 31 17.301 -3.797 0.721 1.00 5.34 C ATOM 442 CE1 PHE A 31 17.684 -6.469 1.286 1.00 74.42 C ATOM 443 CE2 PHE A 31 18.583 -4.299 0.846 1.00 43.34 C ATOM 444 CZ PHE A 31 18.774 -5.637 1.127 1.00 25.12 C ATOM 0 H PHE A 31 14.477 -5.370 3.171 1.00 54.30 H new ATOM 0 HA PHE A 31 14.463 -2.561 2.233 1.00 73.34 H new ATOM 0 HB2 PHE A 31 14.164 -4.837 0.307 1.00 4.01 H new ATOM 0 HB3 PHE A 31 14.821 -3.234 0.045 1.00 4.01 H new ATOM 0 HD1 PHE A 31 15.555 -6.618 1.283 1.00 3.10 H new ATOM 0 HD2 PHE A 31 17.157 -2.750 0.499 1.00 5.34 H new ATOM 0 HE1 PHE A 31 17.831 -7.516 1.509 1.00 74.42 H new ATOM 0 HE2 PHE A 31 19.434 -3.645 0.724 1.00 43.34 H new ATOM 0 HZ PHE A 31 19.775 -6.032 1.222 1.00 25.12 H new ATOM 454 N THR A 32 12.011 -2.591 1.848 1.00 62.15 N ATOM 455 CA THR A 32 10.555 -2.566 1.783 1.00 65.34 C ATOM 456 C THR A 32 10.051 -3.212 0.497 1.00 23.11 C ATOM 457 O THR A 32 8.910 -3.668 0.427 1.00 60.44 O ATOM 458 CB THR A 32 10.014 -1.127 1.867 1.00 12.21 C ATOM 459 OG1 THR A 32 10.873 -0.328 2.688 1.00 14.34 O ATOM 460 CG2 THR A 32 8.603 -1.112 2.435 1.00 33.13 C ATOM 0 H THR A 32 12.453 -1.677 1.754 1.00 62.15 H new ATOM 0 HA THR A 32 10.190 -3.134 2.639 1.00 65.34 H new ATOM 0 HB THR A 32 9.987 -0.713 0.859 1.00 12.21 H new ATOM 0 HG1 THR A 32 10.523 0.586 2.735 1.00 14.34 H new ATOM 0 HG21 THR A 32 8.242 -0.085 2.485 1.00 33.13 H new ATOM 0 HG22 THR A 32 7.946 -1.697 1.792 1.00 33.13 H new ATOM 0 HG23 THR A 32 8.609 -1.543 3.436 1.00 33.13 H new ATOM 468 N ASP A 33 10.909 -3.248 -0.517 1.00 33.11 N ATOM 469 CA ASP A 33 10.550 -3.840 -1.800 1.00 64.45 C ATOM 470 C ASP A 33 11.290 -5.157 -2.017 1.00 43.31 C ATOM 471 O ASP A 33 11.460 -5.605 -3.150 1.00 22.31 O ATOM 472 CB ASP A 33 10.866 -2.870 -2.940 1.00 30.11 C ATOM 473 CG ASP A 33 12.331 -2.892 -3.330 1.00 72.42 C ATOM 474 OD1 ASP A 33 13.185 -2.704 -2.439 1.00 33.10 O ATOM 475 OD2 ASP A 33 12.623 -3.097 -4.527 1.00 62.12 O ATOM 0 H ASP A 33 11.857 -2.874 -0.475 1.00 33.11 H new ATOM 0 HA ASP A 33 9.479 -4.042 -1.792 1.00 64.45 H new ATOM 0 HB2 ASP A 33 10.258 -3.124 -3.808 1.00 30.11 H new ATOM 0 HB3 ASP A 33 10.588 -1.859 -2.641 1.00 30.11 H new ATOM 480 N ASN A 34 11.729 -5.770 -0.923 1.00 21.14 N ATOM 481 CA ASN A 34 12.453 -7.034 -0.993 1.00 74.41 C ATOM 482 C ASN A 34 12.353 -7.793 0.327 1.00 14.41 C ATOM 483 O ASN A 34 11.699 -8.832 0.410 1.00 71.44 O ATOM 484 CB ASN A 34 13.922 -6.787 -1.342 1.00 14.42 C ATOM 485 CG ASN A 34 14.339 -7.489 -2.619 1.00 51.14 C ATOM 486 OD1 ASN A 34 13.927 -7.106 -3.715 1.00 3.55 O ATOM 487 ND2 ASN A 34 15.160 -8.524 -2.484 1.00 43.54 N ATOM 0 H ASN A 34 11.596 -5.412 0.023 1.00 21.14 H new ATOM 0 HA ASN A 34 11.998 -7.641 -1.776 1.00 74.41 H new ATOM 0 HB2 ASN A 34 14.092 -5.716 -1.448 1.00 14.42 H new ATOM 0 HB3 ASN A 34 14.550 -7.130 -0.520 1.00 14.42 H new ATOM 0 HD21 ASN A 34 15.474 -9.036 -3.308 1.00 43.54 H new ATOM 0 HD22 ASN A 34 15.476 -8.806 -1.556 1.00 43.54 H new ATOM 494 N SER A 35 13.005 -7.264 1.358 1.00 71.14 N ATOM 495 CA SER A 35 12.992 -7.892 2.674 1.00 64.34 C ATOM 496 C SER A 35 13.710 -9.238 2.640 1.00 75.52 C ATOM 497 O SER A 35 13.104 -10.283 2.876 1.00 12.33 O ATOM 498 CB SER A 35 11.554 -8.080 3.159 1.00 73.12 C ATOM 499 OG SER A 35 11.503 -8.197 4.570 1.00 14.41 O ATOM 0 H SER A 35 13.549 -6.402 1.307 1.00 71.14 H new ATOM 0 HA SER A 35 13.518 -7.236 3.368 1.00 64.34 H new ATOM 0 HB2 SER A 35 10.945 -7.234 2.839 1.00 73.12 H new ATOM 0 HB3 SER A 35 11.126 -8.972 2.701 1.00 73.12 H new ATOM 0 HG SER A 35 10.573 -8.315 4.855 1.00 14.41 H new ATOM 505 N ASN A 36 15.005 -9.205 2.344 1.00 53.55 N ATOM 506 CA ASN A 36 15.806 -10.421 2.278 1.00 72.43 C ATOM 507 C ASN A 36 17.106 -10.259 3.059 1.00 64.52 C ATOM 508 O ASN A 36 17.473 -9.152 3.450 1.00 5.33 O ATOM 509 CB ASN A 36 16.113 -10.776 0.822 1.00 62.45 C ATOM 510 CG ASN A 36 15.017 -11.610 0.186 1.00 43.11 C ATOM 511 OD1 ASN A 36 13.846 -11.231 0.201 1.00 20.13 O ATOM 512 ND2 ASN A 36 15.394 -12.752 -0.377 1.00 60.02 N ATOM 0 H ASN A 36 15.522 -8.348 2.146 1.00 53.55 H new ATOM 0 HA ASN A 36 15.231 -11.230 2.728 1.00 72.43 H new ATOM 0 HB2 ASN A 36 16.247 -9.859 0.248 1.00 62.45 H new ATOM 0 HB3 ASN A 36 17.055 -11.322 0.775 1.00 62.45 H new ATOM 0 HD21 ASN A 36 14.701 -13.355 -0.821 1.00 60.02 H new ATOM 0 HD22 ASN A 36 16.376 -13.026 -0.366 1.00 60.02 H new ATOM 519 N SER A 37 17.799 -11.372 3.281 1.00 2.22 N ATOM 520 CA SER A 37 19.057 -11.354 4.018 1.00 24.21 C ATOM 521 C SER A 37 20.219 -10.983 3.101 1.00 12.42 C ATOM 522 O SER A 37 20.096 -11.026 1.877 1.00 41.10 O ATOM 523 CB SER A 37 19.316 -12.719 4.660 1.00 11.41 C ATOM 524 OG SER A 37 18.143 -13.224 5.274 1.00 71.02 O ATOM 0 H SER A 37 17.510 -12.297 2.961 1.00 2.22 H new ATOM 0 HA SER A 37 18.980 -10.600 4.801 1.00 24.21 H new ATOM 0 HB2 SER A 37 19.665 -13.421 3.902 1.00 11.41 H new ATOM 0 HB3 SER A 37 20.110 -12.631 5.402 1.00 11.41 H new ATOM 0 HG SER A 37 18.334 -14.097 5.675 1.00 71.02 H new ATOM 530 N ASP A 38 21.346 -10.617 3.703 1.00 75.52 N ATOM 531 CA ASP A 38 22.531 -10.239 2.942 1.00 55.12 C ATOM 532 C ASP A 38 23.034 -11.409 2.102 1.00 12.20 C ATOM 533 O ASP A 38 23.639 -12.345 2.624 1.00 31.44 O ATOM 534 CB ASP A 38 23.636 -9.759 3.884 1.00 53.42 C ATOM 535 CG ASP A 38 23.521 -8.281 4.205 1.00 63.33 C ATOM 536 OD1 ASP A 38 23.472 -7.471 3.256 1.00 14.33 O ATOM 537 OD2 ASP A 38 23.482 -7.936 5.404 1.00 4.34 O ATOM 0 H ASP A 38 21.463 -10.574 4.715 1.00 75.52 H new ATOM 0 HA ASP A 38 22.257 -9.425 2.271 1.00 55.12 H new ATOM 0 HB2 ASP A 38 23.595 -10.333 4.810 1.00 53.42 H new ATOM 0 HB3 ASP A 38 24.607 -9.955 3.430 1.00 53.42 H new ATOM 542 N ILE A 39 22.779 -11.348 0.799 1.00 34.35 N ATOM 543 CA ILE A 39 23.206 -12.403 -0.112 1.00 13.41 C ATOM 544 C ILE A 39 22.750 -12.114 -1.538 1.00 60.23 C ATOM 545 O ILE A 39 23.463 -12.402 -2.500 1.00 72.15 O ATOM 546 CB ILE A 39 22.661 -13.776 0.321 1.00 33.34 C ATOM 547 CG1 ILE A 39 22.916 -14.818 -0.770 1.00 54.21 C ATOM 548 CG2 ILE A 39 21.175 -13.682 0.634 1.00 12.23 C ATOM 549 CD1 ILE A 39 21.742 -15.014 -1.704 1.00 71.00 C ATOM 0 H ILE A 39 22.279 -10.580 0.351 1.00 34.35 H new ATOM 0 HA ILE A 39 24.295 -12.428 -0.079 1.00 13.41 H new ATOM 0 HB ILE A 39 23.184 -14.089 1.225 1.00 33.34 H new ATOM 0 HG12 ILE A 39 23.787 -14.517 -1.352 1.00 54.21 H new ATOM 0 HG13 ILE A 39 23.160 -15.771 -0.301 1.00 54.21 H new ATOM 0 HG21 ILE A 39 20.805 -14.661 0.939 1.00 12.23 H new ATOM 0 HG22 ILE A 39 21.018 -12.967 1.442 1.00 12.23 H new ATOM 0 HG23 ILE A 39 20.636 -13.351 -0.254 1.00 12.23 H new ATOM 0 HD11 ILE A 39 21.993 -15.766 -2.452 1.00 71.00 H new ATOM 0 HD12 ILE A 39 20.874 -15.345 -1.133 1.00 71.00 H new ATOM 0 HD13 ILE A 39 21.511 -14.072 -2.201 1.00 71.00 H new ATOM 561 N THR A 40 21.557 -11.542 -1.668 1.00 42.44 N ATOM 562 CA THR A 40 21.006 -11.213 -2.977 1.00 12.02 C ATOM 563 C THR A 40 21.818 -10.117 -3.656 1.00 43.43 C ATOM 564 O THR A 40 22.119 -10.201 -4.847 1.00 64.40 O ATOM 565 CB THR A 40 19.538 -10.757 -2.870 1.00 24.23 C ATOM 566 OG1 THR A 40 18.836 -11.583 -1.934 1.00 1.31 O ATOM 567 CG2 THR A 40 18.851 -10.821 -4.225 1.00 65.25 C ATOM 0 H THR A 40 20.954 -11.297 -0.883 1.00 42.44 H new ATOM 0 HA THR A 40 21.054 -12.122 -3.577 1.00 12.02 H new ATOM 0 HB THR A 40 19.526 -9.724 -2.523 1.00 24.23 H new ATOM 0 HG1 THR A 40 17.904 -11.286 -1.870 1.00 1.31 H new ATOM 0 HG21 THR A 40 17.816 -10.494 -4.124 1.00 65.25 H new ATOM 0 HG22 THR A 40 19.370 -10.169 -4.927 1.00 65.25 H new ATOM 0 HG23 THR A 40 18.874 -11.846 -4.596 1.00 65.25 H new ATOM 575 N ASP A 41 22.171 -9.089 -2.892 1.00 52.55 N ATOM 576 CA ASP A 41 22.951 -7.975 -3.421 1.00 33.30 C ATOM 577 C ASP A 41 24.440 -8.184 -3.163 1.00 34.03 C ATOM 578 O ASP A 41 25.283 -7.549 -3.794 1.00 42.53 O ATOM 579 CB ASP A 41 22.491 -6.659 -2.793 1.00 10.15 C ATOM 580 CG ASP A 41 21.606 -5.852 -3.722 1.00 3.51 C ATOM 581 OD1 ASP A 41 22.001 -5.648 -4.889 1.00 60.14 O ATOM 582 OD2 ASP A 41 20.519 -5.424 -3.282 1.00 53.12 O ATOM 0 H ASP A 41 21.930 -9.004 -1.905 1.00 52.55 H new ATOM 0 HA ASP A 41 22.790 -7.930 -4.498 1.00 33.30 H new ATOM 0 HB2 ASP A 41 21.949 -6.870 -1.871 1.00 10.15 H new ATOM 0 HB3 ASP A 41 23.364 -6.065 -2.521 1.00 10.15 H new ATOM 587 N GLN A 42 24.754 -9.077 -2.230 1.00 73.30 N ATOM 588 CA GLN A 42 26.141 -9.368 -1.887 1.00 50.35 C ATOM 589 C GLN A 42 26.870 -8.102 -1.448 1.00 14.00 C ATOM 590 O GLN A 42 27.401 -7.360 -2.275 1.00 33.24 O ATOM 591 CB GLN A 42 26.862 -9.997 -3.081 1.00 30.24 C ATOM 592 CG GLN A 42 28.147 -10.717 -2.704 1.00 50.04 C ATOM 593 CD GLN A 42 28.999 -11.059 -3.911 1.00 30.13 C ATOM 594 OE1 GLN A 42 28.762 -12.059 -4.589 1.00 23.32 O ATOM 595 NE2 GLN A 42 29.998 -10.228 -4.185 1.00 73.23 N ATOM 0 H GLN A 42 24.067 -9.611 -1.698 1.00 73.30 H new ATOM 0 HA GLN A 42 26.143 -10.074 -1.056 1.00 50.35 H new ATOM 0 HB2 GLN A 42 26.190 -10.702 -3.570 1.00 30.24 H new ATOM 0 HB3 GLN A 42 27.091 -9.218 -3.808 1.00 30.24 H new ATOM 0 HG2 GLN A 42 28.723 -10.091 -2.023 1.00 50.04 H new ATOM 0 HG3 GLN A 42 27.902 -11.633 -2.166 1.00 50.04 H new ATOM 0 HE21 GLN A 42 30.158 -9.411 -3.596 1.00 73.23 H new ATOM 0 HE22 GLN A 42 30.605 -10.407 -4.985 1.00 73.23 H new ATOM 604 N VAL A 43 26.891 -7.861 -0.141 1.00 15.31 N ATOM 605 CA VAL A 43 27.555 -6.685 0.409 1.00 54.22 C ATOM 606 C VAL A 43 28.976 -6.556 -0.127 1.00 1.13 C ATOM 607 O VAL A 43 29.688 -7.549 -0.276 1.00 63.42 O ATOM 608 CB VAL A 43 27.600 -6.734 1.948 1.00 51.04 C ATOM 609 CG1 VAL A 43 28.364 -5.540 2.498 1.00 44.41 C ATOM 610 CG2 VAL A 43 26.192 -6.786 2.520 1.00 14.23 C ATOM 0 H VAL A 43 26.456 -8.464 0.557 1.00 15.31 H new ATOM 0 HA VAL A 43 26.973 -5.818 0.098 1.00 54.22 H new ATOM 0 HB VAL A 43 28.124 -7.641 2.250 1.00 51.04 H new ATOM 0 HG11 VAL A 43 28.385 -5.592 3.587 1.00 44.41 H new ATOM 0 HG12 VAL A 43 29.384 -5.553 2.114 1.00 44.41 H new ATOM 0 HG13 VAL A 43 27.871 -4.619 2.188 1.00 44.41 H new ATOM 0 HG21 VAL A 43 26.242 -6.820 3.608 1.00 14.23 H new ATOM 0 HG22 VAL A 43 25.640 -5.898 2.210 1.00 14.23 H new ATOM 0 HG23 VAL A 43 25.683 -7.677 2.152 1.00 14.23 H new ATOM 620 N THR A 44 29.385 -5.324 -0.414 1.00 51.14 N ATOM 621 CA THR A 44 30.721 -5.064 -0.934 1.00 44.11 C ATOM 622 C THR A 44 31.683 -4.683 0.186 1.00 34.42 C ATOM 623 O THR A 44 31.549 -3.624 0.798 1.00 14.23 O ATOM 624 CB THR A 44 30.706 -3.939 -1.986 1.00 40.12 C ATOM 625 OG1 THR A 44 29.496 -3.182 -1.876 1.00 53.31 O ATOM 626 CG2 THR A 44 30.827 -4.510 -3.391 1.00 31.11 C ATOM 0 H THR A 44 28.809 -4.490 -0.295 1.00 51.14 H new ATOM 0 HA THR A 44 31.061 -5.987 -1.404 1.00 44.11 H new ATOM 0 HB THR A 44 31.560 -3.287 -1.801 1.00 40.12 H new ATOM 0 HG1 THR A 44 29.495 -2.468 -2.547 1.00 53.31 H new ATOM 0 HG21 THR A 44 30.814 -3.697 -4.117 1.00 31.11 H new ATOM 0 HG22 THR A 44 31.763 -5.061 -3.480 1.00 31.11 H new ATOM 0 HG23 THR A 44 29.991 -5.182 -3.584 1.00 31.11 H new ATOM 634 N TRP A 45 32.651 -5.553 0.449 1.00 62.11 N ATOM 635 CA TRP A 45 33.636 -5.307 1.496 1.00 11.23 C ATOM 636 C TRP A 45 34.999 -4.982 0.896 1.00 23.02 C ATOM 637 O TRP A 45 35.348 -5.473 -0.178 1.00 30.14 O ATOM 638 CB TRP A 45 33.747 -6.523 2.417 1.00 73.32 C ATOM 639 CG TRP A 45 33.596 -6.185 3.869 1.00 4.11 C ATOM 640 CD1 TRP A 45 34.347 -5.297 4.586 1.00 54.54 C ATOM 641 CD2 TRP A 45 32.638 -6.731 4.782 1.00 71.24 C ATOM 642 NE1 TRP A 45 33.912 -5.258 5.889 1.00 41.24 N ATOM 643 CE2 TRP A 45 32.864 -6.128 6.034 1.00 24.03 C ATOM 644 CE3 TRP A 45 31.609 -7.669 4.662 1.00 23.51 C ATOM 645 CZ2 TRP A 45 32.100 -6.435 7.157 1.00 62.01 C ATOM 646 CZ3 TRP A 45 30.852 -7.973 5.777 1.00 30.34 C ATOM 647 CH2 TRP A 45 31.100 -7.357 7.011 1.00 32.23 C ATOM 0 H TRP A 45 32.775 -6.435 -0.048 1.00 62.11 H new ATOM 0 HA TRP A 45 33.303 -4.448 2.079 1.00 11.23 H new ATOM 0 HB2 TRP A 45 32.984 -7.251 2.140 1.00 73.32 H new ATOM 0 HB3 TRP A 45 34.714 -7.000 2.261 1.00 73.32 H new ATOM 0 HD1 TRP A 45 35.163 -4.712 4.187 1.00 54.54 H new ATOM 0 HE1 TRP A 45 34.306 -4.676 6.628 1.00 41.24 H new ATOM 0 HE3 TRP A 45 31.409 -8.148 3.715 1.00 23.51 H new ATOM 0 HZ2 TRP A 45 32.290 -5.962 8.109 1.00 62.01 H new ATOM 0 HZ3 TRP A 45 30.055 -8.698 5.696 1.00 30.34 H new ATOM 0 HH2 TRP A 45 30.490 -7.615 7.864 1.00 32.23 H new ATOM 658 N ASP A 46 35.766 -4.153 1.595 1.00 3.24 N ATOM 659 CA ASP A 46 37.093 -3.764 1.131 1.00 11.24 C ATOM 660 C ASP A 46 38.102 -3.803 2.275 1.00 13.21 C ATOM 661 O ASP A 46 37.768 -3.500 3.421 1.00 61.43 O ATOM 662 CB ASP A 46 37.052 -2.363 0.519 1.00 72.04 C ATOM 663 CG ASP A 46 37.375 -2.369 -0.963 1.00 21.35 C ATOM 664 OD1 ASP A 46 38.517 -2.728 -1.319 1.00 70.44 O ATOM 665 OD2 ASP A 46 36.486 -2.016 -1.765 1.00 1.11 O ATOM 0 H ASP A 46 35.492 -3.737 2.485 1.00 3.24 H new ATOM 0 HA ASP A 46 37.407 -4.476 0.368 1.00 11.24 H new ATOM 0 HB2 ASP A 46 36.062 -1.932 0.670 1.00 72.04 H new ATOM 0 HB3 ASP A 46 37.762 -1.721 1.040 1.00 72.04 H new ATOM 670 N SER A 47 39.336 -4.178 1.956 1.00 22.21 N ATOM 671 CA SER A 47 40.393 -4.262 2.958 1.00 53.33 C ATOM 672 C SER A 47 41.620 -3.467 2.521 1.00 74.13 C ATOM 673 O SER A 47 41.882 -3.315 1.328 1.00 54.24 O ATOM 674 CB SER A 47 40.778 -5.722 3.203 1.00 14.11 C ATOM 675 OG SER A 47 40.780 -6.023 4.588 1.00 55.02 O ATOM 0 H SER A 47 39.629 -4.429 1.012 1.00 22.21 H new ATOM 0 HA SER A 47 40.015 -3.833 3.886 1.00 53.33 H new ATOM 0 HB2 SER A 47 40.077 -6.378 2.686 1.00 14.11 H new ATOM 0 HB3 SER A 47 41.765 -5.916 2.784 1.00 14.11 H new ATOM 0 HG SER A 47 40.549 -6.967 4.718 1.00 55.02 H new ATOM 681 N SER A 48 42.368 -2.962 3.496 1.00 22.42 N ATOM 682 CA SER A 48 43.566 -2.180 3.214 1.00 52.22 C ATOM 683 C SER A 48 44.457 -2.896 2.203 1.00 10.25 C ATOM 684 O SER A 48 45.128 -2.260 1.391 1.00 31.45 O ATOM 685 CB SER A 48 44.346 -1.918 4.504 1.00 72.43 C ATOM 686 OG SER A 48 44.390 -0.534 4.801 1.00 11.43 O ATOM 0 H SER A 48 42.166 -3.080 4.489 1.00 22.42 H new ATOM 0 HA SER A 48 43.255 -1.227 2.787 1.00 52.22 H new ATOM 0 HB2 SER A 48 43.880 -2.456 5.330 1.00 72.43 H new ATOM 0 HB3 SER A 48 45.360 -2.304 4.404 1.00 72.43 H new ATOM 0 HG SER A 48 44.892 -0.393 5.631 1.00 11.43 H new ATOM 692 N ASN A 49 44.457 -4.224 2.261 1.00 45.30 N ATOM 693 CA ASN A 49 45.266 -5.028 1.352 1.00 42.32 C ATOM 694 C ASN A 49 46.720 -4.564 1.362 1.00 54.23 C ATOM 695 O ASN A 49 47.430 -4.687 0.363 1.00 13.01 O ATOM 696 CB ASN A 49 44.704 -4.950 -0.069 1.00 12.41 C ATOM 697 CG ASN A 49 45.024 -6.186 -0.886 1.00 72.32 C ATOM 698 OD1 ASN A 49 45.761 -6.120 -1.870 1.00 73.12 O ATOM 699 ND2 ASN A 49 44.469 -7.323 -0.481 1.00 41.21 N ATOM 0 H ASN A 49 43.906 -4.766 2.927 1.00 45.30 H new ATOM 0 HA ASN A 49 45.231 -6.063 1.693 1.00 42.32 H new ATOM 0 HB2 ASN A 49 43.623 -4.819 -0.022 1.00 12.41 H new ATOM 0 HB3 ASN A 49 45.111 -4.071 -0.570 1.00 12.41 H new ATOM 0 HD21 ASN A 49 44.648 -8.188 -0.991 1.00 41.21 H new ATOM 0 HD22 ASN A 49 43.864 -7.331 0.340 1.00 41.21 H new ATOM 706 N THR A 50 47.157 -4.030 2.498 1.00 40.20 N ATOM 707 CA THR A 50 48.525 -3.547 2.639 1.00 51.13 C ATOM 708 C THR A 50 49.531 -4.667 2.398 1.00 12.34 C ATOM 709 O THR A 50 50.687 -4.413 2.061 1.00 62.35 O ATOM 710 CB THR A 50 48.767 -2.945 4.036 1.00 63.41 C ATOM 711 OG1 THR A 50 50.028 -2.267 4.065 1.00 11.11 O ATOM 712 CG2 THR A 50 48.744 -4.029 5.103 1.00 22.31 C ATOM 0 H THR A 50 46.583 -3.921 3.334 1.00 40.20 H new ATOM 0 HA THR A 50 48.665 -2.770 1.888 1.00 51.13 H new ATOM 0 HB THR A 50 47.968 -2.234 4.245 1.00 63.41 H new ATOM 0 HG1 THR A 50 50.174 -1.886 4.956 1.00 11.11 H new ATOM 0 HG21 THR A 50 48.917 -3.580 6.081 1.00 22.31 H new ATOM 0 HG22 THR A 50 47.773 -4.524 5.098 1.00 22.31 H new ATOM 0 HG23 THR A 50 49.525 -4.760 4.896 1.00 22.31 H new ATOM 720 N ASP A 51 49.083 -5.905 2.574 1.00 24.12 N ATOM 721 CA ASP A 51 49.945 -7.065 2.374 1.00 13.25 C ATOM 722 C ASP A 51 49.118 -8.310 2.069 1.00 53.32 C ATOM 723 O ASP A 51 49.200 -8.868 0.974 1.00 24.35 O ATOM 724 CB ASP A 51 50.810 -7.304 3.613 1.00 51.50 C ATOM 725 CG ASP A 51 52.267 -7.537 3.265 1.00 32.31 C ATOM 726 OD1 ASP A 51 52.851 -6.691 2.556 1.00 70.22 O ATOM 727 OD2 ASP A 51 52.823 -8.566 3.703 1.00 42.22 O ATOM 0 H ASP A 51 48.129 -6.132 2.855 1.00 24.12 H new ATOM 0 HA ASP A 51 50.593 -6.863 1.521 1.00 13.25 H new ATOM 0 HB2 ASP A 51 50.731 -6.445 4.279 1.00 51.50 H new ATOM 0 HB3 ASP A 51 50.427 -8.166 4.159 1.00 51.50 H new ATOM 732 N ILE A 52 48.322 -8.739 3.043 1.00 63.24 N ATOM 733 CA ILE A 52 47.481 -9.918 2.877 1.00 12.21 C ATOM 734 C ILE A 52 46.149 -9.748 3.599 1.00 14.14 C ATOM 735 O ILE A 52 45.990 -10.181 4.742 1.00 55.44 O ATOM 736 CB ILE A 52 48.179 -11.186 3.402 1.00 32.15 C ATOM 737 CG1 ILE A 52 49.503 -11.407 2.668 1.00 31.24 C ATOM 738 CG2 ILE A 52 47.270 -12.396 3.242 1.00 11.35 C ATOM 739 CD1 ILE A 52 50.673 -10.688 3.302 1.00 13.45 C ATOM 0 H ILE A 52 48.242 -8.288 3.954 1.00 63.24 H new ATOM 0 HA ILE A 52 47.301 -10.029 1.808 1.00 12.21 H new ATOM 0 HB ILE A 52 48.391 -11.053 4.463 1.00 32.15 H new ATOM 0 HG12 ILE A 52 49.717 -12.475 2.636 1.00 31.24 H new ATOM 0 HG13 ILE A 52 49.397 -11.072 1.636 1.00 31.24 H new ATOM 0 HG21 ILE A 52 47.778 -13.285 3.618 1.00 11.35 H new ATOM 0 HG22 ILE A 52 46.351 -12.238 3.806 1.00 11.35 H new ATOM 0 HG23 ILE A 52 47.030 -12.534 2.188 1.00 11.35 H new ATOM 0 HD11 ILE A 52 51.578 -10.890 2.729 1.00 13.45 H new ATOM 0 HD12 ILE A 52 50.480 -9.615 3.310 1.00 13.45 H new ATOM 0 HD13 ILE A 52 50.805 -11.040 4.325 1.00 13.45 H new ATOM 751 N LEU A 53 45.193 -9.117 2.926 1.00 41.11 N ATOM 752 CA LEU A 53 43.872 -8.891 3.502 1.00 22.14 C ATOM 753 C LEU A 53 42.776 -9.378 2.560 1.00 42.12 C ATOM 754 O LEU A 53 42.736 -8.998 1.390 1.00 63.15 O ATOM 755 CB LEU A 53 43.675 -7.405 3.808 1.00 32.43 C ATOM 756 CG LEU A 53 44.567 -6.822 4.905 1.00 54.43 C ATOM 757 CD1 LEU A 53 44.556 -7.717 6.134 1.00 2.42 C ATOM 758 CD2 LEU A 53 45.987 -6.632 4.392 1.00 20.54 C ATOM 0 H LEU A 53 45.308 -8.753 1.980 1.00 41.11 H new ATOM 0 HA LEU A 53 43.806 -9.459 4.430 1.00 22.14 H new ATOM 0 HB2 LEU A 53 43.844 -6.840 2.891 1.00 32.43 H new ATOM 0 HB3 LEU A 53 42.634 -7.248 4.092 1.00 32.43 H new ATOM 0 HG LEU A 53 44.172 -5.847 5.189 1.00 54.43 H new ATOM 0 HD11 LEU A 53 45.196 -7.286 6.904 1.00 2.42 H new ATOM 0 HD12 LEU A 53 43.538 -7.801 6.514 1.00 2.42 H new ATOM 0 HD13 LEU A 53 44.926 -8.707 5.867 1.00 2.42 H new ATOM 0 HD21 LEU A 53 46.608 -6.216 5.186 1.00 20.54 H new ATOM 0 HD22 LEU A 53 46.393 -7.594 4.080 1.00 20.54 H new ATOM 0 HD23 LEU A 53 45.979 -5.949 3.543 1.00 20.54 H new ATOM 770 N SER A 54 41.887 -10.219 3.078 1.00 23.14 N ATOM 771 CA SER A 54 40.791 -10.759 2.283 1.00 62.13 C ATOM 772 C SER A 54 39.490 -10.761 3.080 1.00 4.30 C ATOM 773 O SER A 54 39.485 -11.044 4.278 1.00 33.53 O ATOM 774 CB SER A 54 41.121 -12.180 1.820 1.00 54.42 C ATOM 775 OG SER A 54 41.538 -12.191 0.466 1.00 43.23 O ATOM 0 H SER A 54 41.904 -10.541 4.046 1.00 23.14 H new ATOM 0 HA SER A 54 40.660 -10.120 1.409 1.00 62.13 H new ATOM 0 HB2 SER A 54 41.907 -12.598 2.449 1.00 54.42 H new ATOM 0 HB3 SER A 54 40.245 -12.817 1.939 1.00 54.42 H new ATOM 0 HG SER A 54 41.745 -13.110 0.195 1.00 43.23 H new ATOM 781 N ILE A 55 38.391 -10.442 2.406 1.00 15.23 N ATOM 782 CA ILE A 55 37.084 -10.407 3.051 1.00 74.33 C ATOM 783 C ILE A 55 36.153 -11.462 2.463 1.00 74.15 C ATOM 784 O ILE A 55 36.021 -11.579 1.244 1.00 13.52 O ATOM 785 CB ILE A 55 36.424 -9.022 2.913 1.00 62.35 C ATOM 786 CG1 ILE A 55 37.479 -7.919 3.011 1.00 5.21 C ATOM 787 CG2 ILE A 55 35.354 -8.836 3.978 1.00 24.42 C ATOM 788 CD1 ILE A 55 37.968 -7.428 1.666 1.00 14.32 C ATOM 0 H ILE A 55 38.379 -10.204 1.414 1.00 15.23 H new ATOM 0 HA ILE A 55 37.248 -10.618 4.108 1.00 74.33 H new ATOM 0 HB ILE A 55 35.949 -8.958 1.934 1.00 62.35 H new ATOM 0 HG12 ILE A 55 37.063 -7.078 3.566 1.00 5.21 H new ATOM 0 HG13 ILE A 55 38.329 -8.290 3.584 1.00 5.21 H new ATOM 0 HG21 ILE A 55 34.897 -7.853 3.867 1.00 24.42 H new ATOM 0 HG22 ILE A 55 34.590 -9.606 3.865 1.00 24.42 H new ATOM 0 HG23 ILE A 55 35.807 -8.916 4.966 1.00 24.42 H new ATOM 0 HD11 ILE A 55 38.714 -6.647 1.813 1.00 14.32 H new ATOM 0 HD12 ILE A 55 38.414 -8.257 1.116 1.00 14.32 H new ATOM 0 HD13 ILE A 55 37.129 -7.026 1.098 1.00 14.32 H new ATOM 800 N SER A 56 35.507 -12.228 3.337 1.00 44.33 N ATOM 801 CA SER A 56 34.589 -13.275 2.904 1.00 3.13 C ATOM 802 C SER A 56 33.210 -13.078 3.525 1.00 34.10 C ATOM 803 O SER A 56 33.034 -13.227 4.733 1.00 12.14 O ATOM 804 CB SER A 56 35.139 -14.652 3.281 1.00 10.03 C ATOM 805 OG SER A 56 36.053 -15.121 2.305 1.00 3.24 O ATOM 0 H SER A 56 35.603 -12.143 4.349 1.00 44.33 H new ATOM 0 HA SER A 56 34.492 -13.215 1.820 1.00 3.13 H new ATOM 0 HB2 SER A 56 35.634 -14.596 4.250 1.00 10.03 H new ATOM 0 HB3 SER A 56 34.317 -15.360 3.383 1.00 10.03 H new ATOM 0 HG SER A 56 36.391 -16.002 2.570 1.00 3.24 H new ATOM 811 N ASN A 57 32.234 -12.742 2.688 1.00 75.22 N ATOM 812 CA ASN A 57 30.869 -12.524 3.153 1.00 13.13 C ATOM 813 C ASN A 57 29.975 -13.706 2.791 1.00 31.12 C ATOM 814 O ASN A 57 29.724 -13.971 1.616 1.00 44.22 O ATOM 815 CB ASN A 57 30.301 -11.238 2.550 1.00 44.44 C ATOM 816 CG ASN A 57 30.667 -11.075 1.087 1.00 71.22 C ATOM 817 OD1 ASN A 57 31.769 -10.638 0.756 1.00 62.23 O ATOM 818 ND2 ASN A 57 29.740 -11.427 0.203 1.00 23.20 N ATOM 0 H ASN A 57 32.363 -12.615 1.684 1.00 75.22 H new ATOM 0 HA ASN A 57 30.893 -12.429 4.239 1.00 13.13 H new ATOM 0 HB2 ASN A 57 29.216 -11.240 2.652 1.00 44.44 H new ATOM 0 HB3 ASN A 57 30.672 -10.381 3.112 1.00 44.44 H new ATOM 0 HD21 ASN A 57 29.928 -11.340 -0.796 1.00 23.20 H new ATOM 0 HD22 ASN A 57 28.840 -11.785 0.523 1.00 23.20 H new ATOM 825 N ALA A 58 29.497 -14.413 3.810 1.00 75.02 N ATOM 826 CA ALA A 58 28.629 -15.565 3.599 1.00 34.05 C ATOM 827 C ALA A 58 27.239 -15.130 3.146 1.00 21.02 C ATOM 828 O ALA A 58 26.932 -13.939 3.111 1.00 11.42 O ATOM 829 CB ALA A 58 28.535 -16.395 4.871 1.00 3.24 C ATOM 0 H ALA A 58 29.696 -14.208 4.789 1.00 75.02 H new ATOM 0 HA ALA A 58 29.065 -16.177 2.810 1.00 34.05 H new ATOM 0 HB1 ALA A 58 27.884 -17.252 4.699 1.00 3.24 H new ATOM 0 HB2 ALA A 58 29.529 -16.745 5.151 1.00 3.24 H new ATOM 0 HB3 ALA A 58 28.125 -15.784 5.675 1.00 3.24 H new ATOM 835 N SER A 59 26.403 -16.103 2.799 1.00 22.42 N ATOM 836 CA SER A 59 25.047 -15.820 2.343 1.00 23.34 C ATOM 837 C SER A 59 24.125 -15.536 3.525 1.00 21.32 C ATOM 838 O SER A 59 23.162 -14.778 3.407 1.00 21.43 O ATOM 839 CB SER A 59 24.504 -16.996 1.529 1.00 22.33 C ATOM 840 OG SER A 59 24.908 -18.234 2.089 1.00 2.21 O ATOM 0 H SER A 59 26.641 -17.095 2.825 1.00 22.42 H new ATOM 0 HA SER A 59 25.081 -14.934 1.709 1.00 23.34 H new ATOM 0 HB2 SER A 59 23.416 -16.947 1.495 1.00 22.33 H new ATOM 0 HB3 SER A 59 24.859 -16.925 0.501 1.00 22.33 H new ATOM 0 HG SER A 59 24.547 -18.970 1.552 1.00 2.21 H new ATOM 846 N ASP A 60 24.427 -16.150 4.664 1.00 63.11 N ATOM 847 CA ASP A 60 23.627 -15.964 5.869 1.00 43.42 C ATOM 848 C ASP A 60 23.516 -14.484 6.224 1.00 70.14 C ATOM 849 O ASP A 60 22.477 -13.860 6.008 1.00 32.43 O ATOM 850 CB ASP A 60 24.240 -16.736 7.038 1.00 35.50 C ATOM 851 CG ASP A 60 23.606 -18.101 7.225 1.00 13.12 C ATOM 852 OD1 ASP A 60 22.366 -18.198 7.117 1.00 34.44 O ATOM 853 OD2 ASP A 60 24.350 -19.071 7.480 1.00 32.24 O ATOM 0 H ASP A 60 25.220 -16.781 4.778 1.00 63.11 H new ATOM 0 HA ASP A 60 22.626 -16.349 5.674 1.00 43.42 H new ATOM 0 HB2 ASP A 60 25.310 -16.855 6.870 1.00 35.50 H new ATOM 0 HB3 ASP A 60 24.124 -16.156 7.954 1.00 35.50 H new ATOM 858 N SER A 61 24.593 -13.929 6.769 1.00 4.13 N ATOM 859 CA SER A 61 24.615 -12.524 7.159 1.00 41.23 C ATOM 860 C SER A 61 25.964 -12.149 7.766 1.00 73.22 C ATOM 861 O SER A 61 26.603 -11.186 7.341 1.00 30.20 O ATOM 862 CB SER A 61 23.494 -12.232 8.158 1.00 24.34 C ATOM 863 OG SER A 61 23.924 -11.322 9.156 1.00 65.13 O ATOM 0 H SER A 61 25.462 -14.431 6.951 1.00 4.13 H new ATOM 0 HA SER A 61 24.460 -11.922 6.264 1.00 41.23 H new ATOM 0 HB2 SER A 61 22.633 -11.820 7.632 1.00 24.34 H new ATOM 0 HB3 SER A 61 23.168 -13.161 8.625 1.00 24.34 H new ATOM 0 HG SER A 61 23.635 -10.416 8.919 1.00 65.13 H new ATOM 869 N HIS A 62 26.391 -12.918 8.763 1.00 53.30 N ATOM 870 CA HIS A 62 27.664 -12.668 9.430 1.00 52.15 C ATOM 871 C HIS A 62 28.827 -12.824 8.455 1.00 42.22 C ATOM 872 O HIS A 62 28.958 -13.849 7.788 1.00 60.31 O ATOM 873 CB HIS A 62 27.841 -13.623 10.610 1.00 2.35 C ATOM 874 CG HIS A 62 27.908 -15.064 10.210 1.00 23.42 C ATOM 875 ND1 HIS A 62 29.095 -15.724 9.968 1.00 51.44 N ATOM 876 CD2 HIS A 62 26.927 -15.975 10.012 1.00 15.21 C ATOM 877 CE1 HIS A 62 28.840 -16.977 9.636 1.00 50.31 C ATOM 878 NE2 HIS A 62 27.531 -17.155 9.656 1.00 64.01 N ATOM 0 H HIS A 62 25.874 -13.719 9.127 1.00 53.30 H new ATOM 0 HA HIS A 62 27.658 -11.643 9.800 1.00 52.15 H new ATOM 0 HB2 HIS A 62 28.753 -13.360 11.145 1.00 2.35 H new ATOM 0 HB3 HIS A 62 27.013 -13.486 11.305 1.00 2.35 H new ATOM 0 HD2 HIS A 62 25.865 -15.805 10.115 1.00 15.21 H new ATOM 0 HE1 HIS A 62 29.576 -17.728 9.390 1.00 50.31 H new ATOM 0 HE2 HIS A 62 27.048 -18.027 9.442 1.00 64.01 H new ATOM 886 N GLY A 63 29.670 -11.798 8.377 1.00 32.12 N ATOM 887 CA GLY A 63 30.810 -11.841 7.481 1.00 63.21 C ATOM 888 C GLY A 63 32.082 -12.279 8.181 1.00 54.12 C ATOM 889 O GLY A 63 32.303 -11.948 9.346 1.00 30.05 O ATOM 0 H GLY A 63 29.583 -10.938 8.919 1.00 32.12 H new ATOM 0 HA2 GLY A 63 30.597 -12.525 6.660 1.00 63.21 H new ATOM 0 HA3 GLY A 63 30.961 -10.854 7.043 1.00 63.21 H new ATOM 893 N LEU A 64 32.919 -13.026 7.470 1.00 31.21 N ATOM 894 CA LEU A 64 34.175 -13.512 8.031 1.00 40.02 C ATOM 895 C LEU A 64 35.368 -12.854 7.345 1.00 0.32 C ATOM 896 O LEU A 64 35.654 -13.125 6.179 1.00 30.05 O ATOM 897 CB LEU A 64 34.266 -15.032 7.889 1.00 74.34 C ATOM 898 CG LEU A 64 33.940 -15.598 6.506 1.00 52.32 C ATOM 899 CD1 LEU A 64 34.701 -16.892 6.266 1.00 71.35 C ATOM 900 CD2 LEU A 64 32.442 -15.823 6.361 1.00 12.20 C ATOM 0 H LEU A 64 32.751 -13.308 6.504 1.00 31.21 H new ATOM 0 HA LEU A 64 34.197 -13.250 9.089 1.00 40.02 H new ATOM 0 HB2 LEU A 64 35.276 -15.342 8.158 1.00 74.34 H new ATOM 0 HB3 LEU A 64 33.590 -15.486 8.614 1.00 74.34 H new ATOM 0 HG LEU A 64 34.252 -14.872 5.755 1.00 52.32 H new ATOM 0 HD11 LEU A 64 34.456 -17.280 5.277 1.00 71.35 H new ATOM 0 HD12 LEU A 64 35.772 -16.700 6.326 1.00 71.35 H new ATOM 0 HD13 LEU A 64 34.421 -17.625 7.023 1.00 71.35 H new ATOM 0 HD21 LEU A 64 32.229 -16.226 5.371 1.00 12.20 H new ATOM 0 HD22 LEU A 64 32.105 -16.529 7.120 1.00 12.20 H new ATOM 0 HD23 LEU A 64 31.918 -14.876 6.488 1.00 12.20 H new ATOM 912 N ALA A 65 36.062 -11.989 8.078 1.00 51.21 N ATOM 913 CA ALA A 65 37.226 -11.295 7.542 1.00 65.21 C ATOM 914 C ALA A 65 38.518 -12.001 7.941 1.00 32.23 C ATOM 915 O ALA A 65 38.722 -12.327 9.111 1.00 44.14 O ATOM 916 CB ALA A 65 37.245 -9.850 8.016 1.00 15.34 C ATOM 0 H ALA A 65 35.838 -11.752 9.045 1.00 51.21 H new ATOM 0 HA ALA A 65 37.156 -11.308 6.454 1.00 65.21 H new ATOM 0 HB1 ALA A 65 38.120 -9.345 7.608 1.00 15.34 H new ATOM 0 HB2 ALA A 65 36.342 -9.344 7.676 1.00 15.34 H new ATOM 0 HB3 ALA A 65 37.287 -9.825 9.105 1.00 15.34 H new ATOM 922 N SER A 66 39.386 -12.236 6.962 1.00 12.43 N ATOM 923 CA SER A 66 40.656 -12.908 7.211 1.00 12.54 C ATOM 924 C SER A 66 41.829 -11.973 6.931 1.00 31.10 C ATOM 925 O SER A 66 41.912 -11.364 5.864 1.00 2.10 O ATOM 926 CB SER A 66 40.771 -14.163 6.345 1.00 21.32 C ATOM 927 OG SER A 66 41.794 -15.020 6.822 1.00 3.23 O ATOM 0 H SER A 66 39.233 -11.971 5.989 1.00 12.43 H new ATOM 0 HA SER A 66 40.687 -13.197 8.262 1.00 12.54 H new ATOM 0 HB2 SER A 66 39.819 -14.695 6.341 1.00 21.32 H new ATOM 0 HB3 SER A 66 40.982 -13.879 5.314 1.00 21.32 H new ATOM 0 HG SER A 66 41.846 -15.816 6.252 1.00 3.23 H new ATOM 933 N THR A 67 42.735 -11.865 7.898 1.00 41.43 N ATOM 934 CA THR A 67 43.903 -11.004 7.757 1.00 22.53 C ATOM 935 C THR A 67 45.184 -11.757 8.099 1.00 2.21 C ATOM 936 O THR A 67 45.190 -12.634 8.964 1.00 15.31 O ATOM 937 CB THR A 67 43.796 -9.760 8.659 1.00 61.03 C ATOM 938 OG1 THR A 67 45.057 -9.084 8.713 1.00 64.40 O ATOM 939 CG2 THR A 67 43.361 -10.146 10.064 1.00 11.14 C ATOM 0 H THR A 67 42.682 -12.363 8.787 1.00 41.43 H new ATOM 0 HA THR A 67 43.938 -10.686 6.715 1.00 22.53 H new ATOM 0 HB THR A 67 43.045 -9.094 8.234 1.00 61.03 H new ATOM 0 HG1 THR A 67 44.980 -8.293 9.287 1.00 64.40 H new ATOM 0 HG21 THR A 67 43.293 -9.251 10.682 1.00 11.14 H new ATOM 0 HG22 THR A 67 42.387 -10.634 10.022 1.00 11.14 H new ATOM 0 HG23 THR A 67 44.091 -10.830 10.496 1.00 11.14 H new ATOM 947 N LEU A 68 46.269 -11.409 7.416 1.00 41.21 N ATOM 948 CA LEU A 68 47.558 -12.051 7.648 1.00 21.30 C ATOM 949 C LEU A 68 48.704 -11.153 7.193 1.00 71.35 C ATOM 950 O LEU A 68 49.534 -11.555 6.378 1.00 1.23 O ATOM 951 CB LEU A 68 47.622 -13.391 6.913 1.00 70.20 C ATOM 952 CG LEU A 68 48.838 -14.267 7.218 1.00 34.04 C ATOM 953 CD1 LEU A 68 48.488 -15.323 8.255 1.00 32.12 C ATOM 954 CD2 LEU A 68 49.359 -14.919 5.946 1.00 52.53 C ATOM 0 H LEU A 68 46.282 -10.686 6.697 1.00 41.21 H new ATOM 0 HA LEU A 68 47.661 -12.226 8.719 1.00 21.30 H new ATOM 0 HB2 LEU A 68 46.722 -13.957 7.153 1.00 70.20 H new ATOM 0 HB3 LEU A 68 47.600 -13.196 5.841 1.00 70.20 H new ATOM 0 HG LEU A 68 49.625 -13.633 7.626 1.00 34.04 H new ATOM 0 HD11 LEU A 68 49.365 -15.937 8.460 1.00 32.12 H new ATOM 0 HD12 LEU A 68 48.163 -14.836 9.175 1.00 32.12 H new ATOM 0 HD13 LEU A 68 47.684 -15.954 7.875 1.00 32.12 H new ATOM 0 HD21 LEU A 68 50.224 -15.538 6.183 1.00 52.53 H new ATOM 0 HD22 LEU A 68 48.577 -15.540 5.509 1.00 52.53 H new ATOM 0 HD23 LEU A 68 49.650 -14.147 5.234 1.00 52.53 H new ATOM 966 N ASN A 69 48.743 -9.936 7.726 1.00 61.53 N ATOM 967 CA ASN A 69 49.788 -8.982 7.375 1.00 4.21 C ATOM 968 C ASN A 69 50.518 -8.491 8.622 1.00 34.33 C ATOM 969 O ASN A 69 50.137 -8.821 9.745 1.00 14.31 O ATOM 970 CB ASN A 69 49.190 -7.793 6.620 1.00 61.21 C ATOM 971 CG ASN A 69 48.538 -6.787 7.549 1.00 44.14 C ATOM 972 OD1 ASN A 69 49.030 -5.671 7.716 1.00 41.20 O ATOM 973 ND2 ASN A 69 47.426 -7.179 8.158 1.00 15.21 N ATOM 0 H ASN A 69 48.063 -9.588 8.402 1.00 61.53 H new ATOM 0 HA ASN A 69 50.506 -9.489 6.731 1.00 4.21 H new ATOM 0 HB2 ASN A 69 49.974 -7.299 6.046 1.00 61.21 H new ATOM 0 HB3 ASN A 69 48.451 -8.155 5.905 1.00 61.21 H new ATOM 0 HD21 ASN A 69 46.943 -6.545 8.795 1.00 15.21 H new ATOM 0 HD22 ASN A 69 47.054 -8.114 7.989 1.00 15.21 H new ATOM 980 N GLN A 70 51.567 -7.702 8.416 1.00 70.24 N ATOM 981 CA GLN A 70 52.349 -7.166 9.523 1.00 22.53 C ATOM 982 C GLN A 70 52.181 -5.654 9.628 1.00 75.32 C ATOM 983 O GLN A 70 52.831 -4.896 8.910 1.00 5.04 O ATOM 984 CB GLN A 70 53.828 -7.516 9.347 1.00 40.52 C ATOM 985 CG GLN A 70 54.371 -7.185 7.966 1.00 54.41 C ATOM 986 CD GLN A 70 55.686 -6.433 8.020 1.00 10.14 C ATOM 987 OE1 GLN A 70 55.763 -5.332 8.567 1.00 70.12 O ATOM 988 NE2 GLN A 70 56.730 -7.025 7.453 1.00 44.11 N ATOM 0 H GLN A 70 51.895 -7.420 7.492 1.00 70.24 H new ATOM 0 HA GLN A 70 51.983 -7.618 10.445 1.00 22.53 H new ATOM 0 HB2 GLN A 70 54.411 -6.980 10.096 1.00 40.52 H new ATOM 0 HB3 GLN A 70 53.966 -8.580 9.537 1.00 40.52 H new ATOM 0 HG2 GLN A 70 54.508 -8.108 7.403 1.00 54.41 H new ATOM 0 HG3 GLN A 70 53.637 -6.587 7.425 1.00 54.41 H new ATOM 0 HE21 GLN A 70 56.621 -7.938 7.011 1.00 44.11 H new ATOM 0 HE22 GLN A 70 57.641 -6.567 7.459 1.00 44.11 H new ATOM 997 N GLY A 71 51.301 -5.222 10.527 1.00 61.42 N ATOM 998 CA GLY A 71 51.062 -3.802 10.708 1.00 23.52 C ATOM 999 C GLY A 71 49.616 -3.496 11.041 1.00 14.20 C ATOM 1000 O GLY A 71 49.038 -4.101 11.943 1.00 53.21 O ATOM 0 H GLY A 71 50.750 -5.830 11.133 1.00 61.42 H new ATOM 0 HA2 GLY A 71 51.703 -3.428 11.506 1.00 23.52 H new ATOM 0 HA3 GLY A 71 51.343 -3.271 9.799 1.00 23.52 H new ATOM 1004 N ASN A 72 49.030 -2.552 10.312 1.00 54.41 N ATOM 1005 CA ASN A 72 47.642 -2.164 10.536 1.00 13.13 C ATOM 1006 C ASN A 72 46.867 -2.129 9.222 1.00 4.11 C ATOM 1007 O ASN A 72 47.384 -1.686 8.196 1.00 11.33 O ATOM 1008 CB ASN A 72 47.576 -0.795 11.216 1.00 4.13 C ATOM 1009 CG ASN A 72 48.149 0.310 10.349 1.00 74.53 C ATOM 1010 OD1 ASN A 72 47.456 0.867 9.498 1.00 52.53 O ATOM 1011 ND2 ASN A 72 49.420 0.630 10.561 1.00 33.11 N ATOM 0 H ASN A 72 49.495 -2.041 9.561 1.00 54.41 H new ATOM 0 HA ASN A 72 47.184 -2.908 11.187 1.00 13.13 H new ATOM 0 HB2 ASN A 72 46.539 -0.562 11.458 1.00 4.13 H new ATOM 0 HB3 ASN A 72 48.122 -0.834 12.158 1.00 4.13 H new ATOM 0 HD21 ASN A 72 49.860 1.365 10.007 1.00 33.11 H new ATOM 0 HD22 ASN A 72 49.956 0.141 11.278 1.00 33.11 H new ATOM 1018 N VAL A 73 45.625 -2.599 9.261 1.00 15.21 N ATOM 1019 CA VAL A 73 44.778 -2.620 8.075 1.00 54.15 C ATOM 1020 C VAL A 73 43.372 -2.124 8.394 1.00 72.12 C ATOM 1021 O VAL A 73 42.804 -2.459 9.434 1.00 44.11 O ATOM 1022 CB VAL A 73 44.687 -4.036 7.475 1.00 51.32 C ATOM 1023 CG1 VAL A 73 46.019 -4.443 6.863 1.00 13.01 C ATOM 1024 CG2 VAL A 73 44.250 -5.036 8.534 1.00 14.35 C ATOM 0 H VAL A 73 45.183 -2.971 10.102 1.00 15.21 H new ATOM 0 HA VAL A 73 45.238 -1.953 7.346 1.00 54.15 H new ATOM 0 HB VAL A 73 43.938 -4.029 6.684 1.00 51.32 H new ATOM 0 HG11 VAL A 73 45.936 -5.446 6.444 1.00 13.01 H new ATOM 0 HG12 VAL A 73 46.286 -3.741 6.073 1.00 13.01 H new ATOM 0 HG13 VAL A 73 46.791 -4.434 7.633 1.00 13.01 H new ATOM 0 HG21 VAL A 73 44.191 -6.031 8.093 1.00 14.35 H new ATOM 0 HG22 VAL A 73 44.974 -5.043 9.349 1.00 14.35 H new ATOM 0 HG23 VAL A 73 43.271 -4.752 8.921 1.00 14.35 H new ATOM 1034 N LYS A 74 42.814 -1.324 7.492 1.00 54.11 N ATOM 1035 CA LYS A 74 41.472 -0.782 7.675 1.00 44.11 C ATOM 1036 C LYS A 74 40.486 -1.435 6.713 1.00 74.24 C ATOM 1037 O LYS A 74 40.686 -1.422 5.498 1.00 24.20 O ATOM 1038 CB LYS A 74 41.479 0.734 7.464 1.00 64.20 C ATOM 1039 CG LYS A 74 42.626 1.440 8.166 1.00 0.31 C ATOM 1040 CD LYS A 74 42.516 1.317 9.677 1.00 54.44 C ATOM 1041 CE LYS A 74 41.458 2.256 10.236 1.00 12.13 C ATOM 1042 NZ LYS A 74 42.061 3.357 11.037 1.00 41.43 N ATOM 0 H LYS A 74 43.270 -1.036 6.626 1.00 54.11 H new ATOM 0 HA LYS A 74 41.155 -0.999 8.695 1.00 44.11 H new ATOM 0 HB2 LYS A 74 41.534 0.944 6.396 1.00 64.20 H new ATOM 0 HB3 LYS A 74 40.536 1.147 7.822 1.00 64.20 H new ATOM 0 HG2 LYS A 74 43.573 1.016 7.834 1.00 0.31 H new ATOM 0 HG3 LYS A 74 42.632 2.493 7.885 1.00 0.31 H new ATOM 0 HD2 LYS A 74 42.269 0.289 9.943 1.00 54.44 H new ATOM 0 HD3 LYS A 74 43.480 1.541 10.133 1.00 54.44 H new ATOM 0 HE2 LYS A 74 40.878 2.679 9.416 1.00 12.13 H new ATOM 0 HE3 LYS A 74 40.764 1.692 10.859 1.00 12.13 H new ATOM 0 HZ1 LYS A 74 41.307 3.975 11.400 1.00 41.43 H new ATOM 0 HZ2 LYS A 74 42.593 2.955 11.835 1.00 41.43 H new ATOM 0 HZ3 LYS A 74 42.704 3.912 10.436 1.00 41.43 H new ATOM 1056 N VAL A 75 39.418 -2.005 7.263 1.00 41.10 N ATOM 1057 CA VAL A 75 38.399 -2.661 6.453 1.00 15.20 C ATOM 1058 C VAL A 75 37.077 -1.903 6.513 1.00 2.30 C ATOM 1059 O VAL A 75 36.655 -1.450 7.578 1.00 62.41 O ATOM 1060 CB VAL A 75 38.166 -4.113 6.911 1.00 11.23 C ATOM 1061 CG1 VAL A 75 37.249 -4.839 5.939 1.00 22.41 C ATOM 1062 CG2 VAL A 75 39.492 -4.844 7.055 1.00 32.51 C ATOM 0 H VAL A 75 39.236 -2.025 8.267 1.00 41.10 H new ATOM 0 HA VAL A 75 38.766 -2.666 5.427 1.00 15.20 H new ATOM 0 HB VAL A 75 37.679 -4.095 7.886 1.00 11.23 H new ATOM 0 HG11 VAL A 75 37.096 -5.863 6.279 1.00 22.41 H new ATOM 0 HG12 VAL A 75 36.289 -4.325 5.892 1.00 22.41 H new ATOM 0 HG13 VAL A 75 37.704 -4.850 4.949 1.00 22.41 H new ATOM 0 HG21 VAL A 75 39.309 -5.868 7.379 1.00 32.51 H new ATOM 0 HG22 VAL A 75 40.008 -4.854 6.095 1.00 32.51 H new ATOM 0 HG23 VAL A 75 40.110 -4.334 7.794 1.00 32.51 H new ATOM 1072 N THR A 76 36.426 -1.767 5.362 1.00 42.12 N ATOM 1073 CA THR A 76 35.153 -1.063 5.282 1.00 35.04 C ATOM 1074 C THR A 76 34.177 -1.794 4.367 1.00 13.41 C ATOM 1075 O THR A 76 34.585 -2.512 3.456 1.00 64.15 O ATOM 1076 CB THR A 76 35.338 0.378 4.771 1.00 70.03 C ATOM 1077 OG1 THR A 76 35.696 0.363 3.384 1.00 1.23 O ATOM 1078 CG2 THR A 76 36.411 1.102 5.569 1.00 24.13 C ATOM 0 H THR A 76 36.760 -2.136 4.472 1.00 42.12 H new ATOM 0 HA THR A 76 34.746 -1.032 6.292 1.00 35.04 H new ATOM 0 HB THR A 76 34.394 0.909 4.897 1.00 70.03 H new ATOM 0 HG1 THR A 76 35.810 1.283 3.066 1.00 1.23 H new ATOM 0 HG21 THR A 76 36.524 2.118 5.190 1.00 24.13 H new ATOM 0 HG22 THR A 76 36.122 1.137 6.619 1.00 24.13 H new ATOM 0 HG23 THR A 76 37.358 0.571 5.471 1.00 24.13 H new ATOM 1086 N ALA A 77 32.885 -1.605 4.616 1.00 51.43 N ATOM 1087 CA ALA A 77 31.851 -2.244 3.812 1.00 53.24 C ATOM 1088 C ALA A 77 30.604 -1.370 3.725 1.00 0.12 C ATOM 1089 O ALA A 77 30.222 -0.718 4.697 1.00 25.43 O ATOM 1090 CB ALA A 77 31.502 -3.608 4.388 1.00 63.23 C ATOM 0 H ALA A 77 32.530 -1.015 5.368 1.00 51.43 H new ATOM 0 HA ALA A 77 32.241 -2.377 2.803 1.00 53.24 H new ATOM 0 HB1 ALA A 77 30.728 -4.074 3.777 1.00 63.23 H new ATOM 0 HB2 ALA A 77 32.390 -4.239 4.392 1.00 63.23 H new ATOM 0 HB3 ALA A 77 31.137 -3.490 5.408 1.00 63.23 H new ATOM 1096 N SER A 78 29.974 -1.360 2.555 1.00 34.40 N ATOM 1097 CA SER A 78 28.772 -0.562 2.341 1.00 61.54 C ATOM 1098 C SER A 78 27.637 -1.425 1.798 1.00 73.20 C ATOM 1099 O SER A 78 27.849 -2.281 0.939 1.00 64.14 O ATOM 1100 CB SER A 78 29.063 0.586 1.372 1.00 32.32 C ATOM 1101 OG SER A 78 29.231 0.107 0.049 1.00 24.22 O ATOM 0 H SER A 78 30.276 -1.895 1.741 1.00 34.40 H new ATOM 0 HA SER A 78 28.464 -0.149 3.301 1.00 61.54 H new ATOM 0 HB2 SER A 78 28.245 1.306 1.400 1.00 32.32 H new ATOM 0 HB3 SER A 78 29.963 1.113 1.688 1.00 32.32 H new ATOM 0 HG SER A 78 29.414 0.860 -0.551 1.00 24.22 H new ATOM 1107 N ILE A 79 26.431 -1.193 2.306 1.00 22.42 N ATOM 1108 CA ILE A 79 25.262 -1.948 1.873 1.00 51.15 C ATOM 1109 C ILE A 79 24.058 -1.032 1.676 1.00 25.13 C ATOM 1110 O ILE A 79 23.552 -0.442 2.630 1.00 43.24 O ATOM 1111 CB ILE A 79 24.895 -3.049 2.885 1.00 61.01 C ATOM 1112 CG1 ILE A 79 23.614 -3.765 2.451 1.00 2.33 C ATOM 1113 CG2 ILE A 79 24.732 -2.456 4.276 1.00 20.14 C ATOM 1114 CD1 ILE A 79 23.709 -4.394 1.079 1.00 34.31 C ATOM 0 H ILE A 79 26.238 -0.488 3.018 1.00 22.42 H new ATOM 0 HA ILE A 79 25.522 -2.413 0.922 1.00 51.15 H new ATOM 0 HB ILE A 79 25.704 -3.779 2.915 1.00 61.01 H new ATOM 0 HG12 ILE A 79 23.375 -4.539 3.181 1.00 2.33 H new ATOM 0 HG13 ILE A 79 22.789 -3.053 2.459 1.00 2.33 H new ATOM 0 HG21 ILE A 79 24.473 -3.246 4.980 1.00 20.14 H new ATOM 0 HG22 ILE A 79 25.667 -1.988 4.584 1.00 20.14 H new ATOM 0 HG23 ILE A 79 23.939 -1.708 4.262 1.00 20.14 H new ATOM 0 HD11 ILE A 79 22.766 -4.884 0.837 1.00 34.31 H new ATOM 0 HD12 ILE A 79 23.918 -3.622 0.338 1.00 34.31 H new ATOM 0 HD13 ILE A 79 24.512 -5.131 1.071 1.00 34.31 H new ATOM 1126 N GLY A 80 23.604 -0.920 0.432 1.00 55.11 N ATOM 1127 CA GLY A 80 22.462 -0.076 0.133 1.00 54.31 C ATOM 1128 C GLY A 80 22.623 1.331 0.674 1.00 33.25 C ATOM 1129 O GLY A 80 23.472 2.090 0.208 1.00 34.43 O ATOM 0 H GLY A 80 24.006 -1.398 -0.374 1.00 55.11 H new ATOM 0 HA2 GLY A 80 22.319 -0.033 -0.947 1.00 54.31 H new ATOM 0 HA3 GLY A 80 21.563 -0.524 0.556 1.00 54.31 H new ATOM 1133 N GLY A 81 21.804 1.681 1.662 1.00 73.12 N ATOM 1134 CA GLY A 81 21.874 3.006 2.250 1.00 63.23 C ATOM 1135 C GLY A 81 22.864 3.080 3.395 1.00 20.34 C ATOM 1136 O GLY A 81 23.917 3.707 3.275 1.00 12.12 O ATOM 0 H GLY A 81 21.094 1.070 2.065 1.00 73.12 H new ATOM 0 HA2 GLY A 81 22.156 3.726 1.482 1.00 63.23 H new ATOM 0 HA3 GLY A 81 20.886 3.294 2.609 1.00 63.23 H new ATOM 1140 N ILE A 82 22.526 2.440 4.509 1.00 32.55 N ATOM 1141 CA ILE A 82 23.393 2.436 5.681 1.00 12.32 C ATOM 1142 C ILE A 82 24.658 1.625 5.427 1.00 63.44 C ATOM 1143 O ILE A 82 24.623 0.600 4.745 1.00 1.34 O ATOM 1144 CB ILE A 82 22.669 1.865 6.915 1.00 25.11 C ATOM 1145 CG1 ILE A 82 21.526 2.790 7.337 1.00 4.32 C ATOM 1146 CG2 ILE A 82 23.651 1.670 8.061 1.00 31.31 C ATOM 1147 CD1 ILE A 82 20.252 2.573 6.552 1.00 12.01 C ATOM 0 H ILE A 82 21.658 1.917 4.625 1.00 32.55 H new ATOM 0 HA ILE A 82 23.663 3.474 5.876 1.00 12.32 H new ATOM 0 HB ILE A 82 22.247 0.894 6.654 1.00 25.11 H new ATOM 0 HG12 ILE A 82 21.320 2.640 8.397 1.00 4.32 H new ATOM 0 HG13 ILE A 82 21.845 3.826 7.218 1.00 4.32 H new ATOM 0 HG21 ILE A 82 23.125 1.266 8.926 1.00 31.31 H new ATOM 0 HG22 ILE A 82 24.434 0.976 7.755 1.00 31.31 H new ATOM 0 HG23 ILE A 82 24.099 2.629 8.324 1.00 31.31 H new ATOM 0 HD11 ILE A 82 19.485 3.263 6.905 1.00 12.01 H new ATOM 0 HD12 ILE A 82 20.442 2.752 5.494 1.00 12.01 H new ATOM 0 HD13 ILE A 82 19.909 1.548 6.691 1.00 12.01 H new ATOM 1159 N GLN A 83 25.774 2.089 5.980 1.00 71.01 N ATOM 1160 CA GLN A 83 27.051 1.405 5.813 1.00 32.23 C ATOM 1161 C GLN A 83 27.902 1.528 7.072 1.00 25.55 C ATOM 1162 O GLN A 83 27.659 2.388 7.918 1.00 74.44 O ATOM 1163 CB GLN A 83 27.808 1.978 4.614 1.00 75.44 C ATOM 1164 CG GLN A 83 27.900 3.495 4.620 1.00 33.14 C ATOM 1165 CD GLN A 83 29.315 3.995 4.410 1.00 63.44 C ATOM 1166 OE1 GLN A 83 30.277 3.391 4.887 1.00 74.00 O ATOM 1167 NE2 GLN A 83 29.451 5.103 3.691 1.00 3.02 N ATOM 0 H GLN A 83 25.820 2.935 6.547 1.00 71.01 H new ATOM 0 HA GLN A 83 26.848 0.349 5.634 1.00 32.23 H new ATOM 0 HB2 GLN A 83 28.815 1.561 4.598 1.00 75.44 H new ATOM 0 HB3 GLN A 83 27.315 1.656 3.696 1.00 75.44 H new ATOM 0 HG2 GLN A 83 27.257 3.897 3.837 1.00 33.14 H new ATOM 0 HG3 GLN A 83 27.522 3.874 5.569 1.00 33.14 H new ATOM 0 HE21 GLN A 83 28.627 5.571 3.315 1.00 3.02 H new ATOM 0 HE22 GLN A 83 30.380 5.486 3.515 1.00 3.02 H new ATOM 1176 N GLY A 84 28.903 0.660 7.191 1.00 4.21 N ATOM 1177 CA GLY A 84 29.776 0.688 8.351 1.00 53.25 C ATOM 1178 C GLY A 84 31.202 0.304 8.012 1.00 5.10 C ATOM 1179 O GLY A 84 31.497 -0.082 6.881 1.00 51.22 O ATOM 0 H GLY A 84 29.125 -0.062 6.505 1.00 4.21 H new ATOM 0 HA2 GLY A 84 29.766 1.688 8.786 1.00 53.25 H new ATOM 0 HA3 GLY A 84 29.390 0.007 9.109 1.00 53.25 H new ATOM 1183 N SER A 85 32.091 0.411 8.994 1.00 5.23 N ATOM 1184 CA SER A 85 33.497 0.077 8.793 1.00 14.44 C ATOM 1185 C SER A 85 34.094 -0.538 10.055 1.00 65.42 C ATOM 1186 O SER A 85 33.590 -0.334 11.160 1.00 61.04 O ATOM 1187 CB SER A 85 34.288 1.326 8.397 1.00 33.53 C ATOM 1188 OG SER A 85 33.629 2.504 8.827 1.00 4.45 O ATOM 0 H SER A 85 31.863 0.726 9.937 1.00 5.23 H new ATOM 0 HA SER A 85 33.560 -0.655 7.988 1.00 14.44 H new ATOM 0 HB2 SER A 85 35.285 1.283 8.835 1.00 33.53 H new ATOM 0 HB3 SER A 85 34.416 1.351 7.315 1.00 33.53 H new ATOM 0 HG SER A 85 34.155 3.288 8.564 1.00 4.45 H new ATOM 1194 N THR A 86 35.174 -1.295 9.882 1.00 3.42 N ATOM 1195 CA THR A 86 35.841 -1.942 11.005 1.00 44.23 C ATOM 1196 C THR A 86 37.346 -1.704 10.961 1.00 4.45 C ATOM 1197 O THR A 86 37.920 -1.490 9.893 1.00 23.04 O ATOM 1198 CB THR A 86 35.573 -3.459 11.019 1.00 44.43 C ATOM 1199 OG1 THR A 86 36.451 -4.103 11.950 1.00 54.55 O ATOM 1200 CG2 THR A 86 35.769 -4.056 9.633 1.00 4.43 C ATOM 0 H THR A 86 35.605 -1.475 8.975 1.00 3.42 H new ATOM 0 HA THR A 86 35.432 -1.500 11.913 1.00 44.23 H new ATOM 0 HB THR A 86 34.539 -3.620 11.324 1.00 44.43 H new ATOM 0 HG1 THR A 86 36.033 -4.118 12.836 1.00 54.55 H new ATOM 0 HG21 THR A 86 35.574 -5.128 9.668 1.00 4.43 H new ATOM 0 HG22 THR A 86 35.079 -3.584 8.933 1.00 4.43 H new ATOM 0 HG23 THR A 86 36.794 -3.884 9.304 1.00 4.43 H new ATOM 1208 N ASP A 87 37.980 -1.742 12.128 1.00 24.12 N ATOM 1209 CA ASP A 87 39.420 -1.532 12.223 1.00 24.02 C ATOM 1210 C ASP A 87 40.143 -2.843 12.516 1.00 33.33 C ATOM 1211 O ASP A 87 39.707 -3.629 13.358 1.00 24.31 O ATOM 1212 CB ASP A 87 39.737 -0.506 13.313 1.00 71.42 C ATOM 1213 CG ASP A 87 41.012 0.264 13.030 1.00 20.54 C ATOM 1214 OD1 ASP A 87 41.896 -0.285 12.339 1.00 20.02 O ATOM 1215 OD2 ASP A 87 41.126 1.415 13.500 1.00 74.13 O ATOM 0 H ASP A 87 37.519 -1.916 13.021 1.00 24.12 H new ATOM 0 HA ASP A 87 39.770 -1.151 11.263 1.00 24.02 H new ATOM 0 HB2 ASP A 87 38.906 0.193 13.402 1.00 71.42 H new ATOM 0 HB3 ASP A 87 39.829 -1.016 14.272 1.00 71.42 H new ATOM 1220 N PHE A 88 41.248 -3.074 11.815 1.00 1.54 N ATOM 1221 CA PHE A 88 42.030 -4.291 11.999 1.00 51.32 C ATOM 1222 C PHE A 88 43.488 -3.960 12.303 1.00 1.24 C ATOM 1223 O PHE A 88 44.193 -3.386 11.473 1.00 64.51 O ATOM 1224 CB PHE A 88 41.945 -5.170 10.749 1.00 10.14 C ATOM 1225 CG PHE A 88 40.832 -6.177 10.800 1.00 61.32 C ATOM 1226 CD1 PHE A 88 41.046 -7.440 11.329 1.00 2.21 C ATOM 1227 CD2 PHE A 88 39.572 -5.862 10.319 1.00 53.35 C ATOM 1228 CE1 PHE A 88 40.024 -8.369 11.376 1.00 40.21 C ATOM 1229 CE2 PHE A 88 38.545 -6.787 10.363 1.00 5.41 C ATOM 1230 CZ PHE A 88 38.772 -8.041 10.894 1.00 71.45 C ATOM 0 H PHE A 88 41.622 -2.434 11.114 1.00 1.54 H new ATOM 0 HA PHE A 88 41.615 -4.835 12.847 1.00 51.32 H new ATOM 0 HB2 PHE A 88 41.808 -4.533 9.875 1.00 10.14 H new ATOM 0 HB3 PHE A 88 42.892 -5.693 10.617 1.00 10.14 H new ATOM 0 HD1 PHE A 88 42.023 -7.701 11.709 1.00 2.21 H new ATOM 0 HD2 PHE A 88 39.389 -4.882 9.904 1.00 53.35 H new ATOM 0 HE1 PHE A 88 40.204 -9.350 11.789 1.00 40.21 H new ATOM 0 HE2 PHE A 88 37.568 -6.529 9.983 1.00 5.41 H new ATOM 0 HZ PHE A 88 37.971 -8.765 10.932 1.00 71.45 H new ATOM 1240 N LYS A 89 43.934 -4.325 13.501 1.00 54.32 N ATOM 1241 CA LYS A 89 45.307 -4.068 13.917 1.00 22.53 C ATOM 1242 C LYS A 89 46.001 -5.363 14.330 1.00 11.44 C ATOM 1243 O LYS A 89 45.657 -5.966 15.347 1.00 1.21 O ATOM 1244 CB LYS A 89 45.332 -3.071 15.078 1.00 43.03 C ATOM 1245 CG LYS A 89 45.694 -1.657 14.657 1.00 72.14 C ATOM 1246 CD LYS A 89 47.116 -1.302 15.058 1.00 72.24 C ATOM 1247 CE LYS A 89 47.208 -0.954 16.535 1.00 33.04 C ATOM 1248 NZ LYS A 89 48.598 -1.089 17.052 1.00 70.34 N ATOM 0 H LYS A 89 43.364 -4.800 14.201 1.00 54.32 H new ATOM 0 HA LYS A 89 45.844 -3.642 13.069 1.00 22.53 H new ATOM 0 HB2 LYS A 89 44.353 -3.059 15.557 1.00 43.03 H new ATOM 0 HB3 LYS A 89 46.048 -3.414 15.825 1.00 43.03 H new ATOM 0 HG2 LYS A 89 45.584 -1.559 13.577 1.00 72.14 H new ATOM 0 HG3 LYS A 89 45.000 -0.952 15.113 1.00 72.14 H new ATOM 0 HD2 LYS A 89 47.777 -2.141 14.839 1.00 72.24 H new ATOM 0 HD3 LYS A 89 47.463 -0.458 14.462 1.00 72.24 H new ATOM 0 HE2 LYS A 89 46.861 0.068 16.690 1.00 33.04 H new ATOM 0 HE3 LYS A 89 46.544 -1.606 17.103 1.00 33.04 H new ATOM 0 HZ1 LYS A 89 48.618 -0.843 18.062 1.00 70.34 H new ATOM 0 HZ2 LYS A 89 48.921 -2.070 16.928 1.00 70.34 H new ATOM 0 HZ3 LYS A 89 49.227 -0.449 16.527 1.00 70.34 H new ATOM 1262 N VAL A 90 46.980 -5.783 13.536 1.00 22.52 N ATOM 1263 CA VAL A 90 47.724 -7.005 13.821 1.00 1.41 C ATOM 1264 C VAL A 90 49.162 -6.692 14.220 1.00 40.14 C ATOM 1265 O VAL A 90 49.883 -6.004 13.497 1.00 44.44 O ATOM 1266 CB VAL A 90 47.734 -7.952 12.607 1.00 50.03 C ATOM 1267 CG1 VAL A 90 48.341 -7.261 11.395 1.00 24.23 C ATOM 1268 CG2 VAL A 90 48.489 -9.231 12.935 1.00 32.15 C ATOM 0 H VAL A 90 47.277 -5.296 12.690 1.00 22.52 H new ATOM 0 HA VAL A 90 47.218 -7.497 14.652 1.00 1.41 H new ATOM 0 HB VAL A 90 46.704 -8.217 12.367 1.00 50.03 H new ATOM 0 HG11 VAL A 90 48.339 -7.946 10.547 1.00 24.23 H new ATOM 0 HG12 VAL A 90 47.754 -6.377 11.148 1.00 24.23 H new ATOM 0 HG13 VAL A 90 49.366 -6.965 11.620 1.00 24.23 H new ATOM 0 HG21 VAL A 90 48.486 -9.888 12.066 1.00 32.15 H new ATOM 0 HG22 VAL A 90 49.517 -8.988 13.203 1.00 32.15 H new ATOM 0 HG23 VAL A 90 48.006 -9.734 13.772 1.00 32.15 H new ATOM 1278 N THR A 91 49.575 -7.203 15.376 1.00 55.33 N ATOM 1279 CA THR A 91 50.926 -6.978 15.872 1.00 43.14 C ATOM 1280 C THR A 91 51.595 -8.291 16.261 1.00 34.43 C ATOM 1281 O THR A 91 50.920 -9.268 16.587 1.00 3.11 O ATOM 1282 CB THR A 91 50.928 -6.033 17.088 1.00 25.23 C ATOM 1283 OG1 THR A 91 50.005 -6.505 18.076 1.00 1.51 O ATOM 1284 CG2 THR A 91 50.557 -4.617 16.675 1.00 64.14 C ATOM 0 H THR A 91 48.992 -7.776 15.986 1.00 55.33 H new ATOM 0 HA THR A 91 51.487 -6.515 15.061 1.00 43.14 H new ATOM 0 HB THR A 91 51.934 -6.019 17.508 1.00 25.23 H new ATOM 0 HG1 THR A 91 50.013 -5.900 18.847 1.00 1.51 H new ATOM 0 HG21 THR A 91 50.565 -3.968 17.551 1.00 64.14 H new ATOM 0 HG22 THR A 91 51.279 -4.250 15.945 1.00 64.14 H new ATOM 0 HG23 THR A 91 49.561 -4.616 16.232 1.00 64.14 H new ATOM 1292 N GLN A 92 52.923 -8.307 16.226 1.00 61.30 N ATOM 1293 CA GLN A 92 53.682 -9.502 16.576 1.00 72.31 C ATOM 1294 C GLN A 92 54.838 -9.159 17.509 1.00 30.25 C ATOM 1295 O GLN A 92 55.640 -8.270 17.221 1.00 62.52 O ATOM 1296 CB GLN A 92 54.215 -10.182 15.313 1.00 13.32 C ATOM 1297 CG GLN A 92 54.831 -11.547 15.571 1.00 24.00 C ATOM 1298 CD GLN A 92 55.686 -12.029 14.415 1.00 31.14 C ATOM 1299 OE1 GLN A 92 55.621 -11.487 13.312 1.00 40.22 O ATOM 1300 NE2 GLN A 92 56.494 -13.054 14.663 1.00 13.51 N ATOM 0 H GLN A 92 53.496 -7.506 15.959 1.00 61.30 H new ATOM 0 HA GLN A 92 53.012 -10.188 17.094 1.00 72.31 H new ATOM 0 HB2 GLN A 92 53.400 -10.290 14.597 1.00 13.32 H new ATOM 0 HB3 GLN A 92 54.962 -9.537 14.851 1.00 13.32 H new ATOM 0 HG2 GLN A 92 55.440 -11.502 16.474 1.00 24.00 H new ATOM 0 HG3 GLN A 92 54.037 -12.270 15.757 1.00 24.00 H new ATOM 0 HE21 GLN A 92 56.516 -13.473 15.593 1.00 13.51 H new ATOM 0 HE22 GLN A 92 57.093 -13.422 13.924 1.00 13.51 H new