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 50 THR OG1 : rot 87:sc= -0.751 USER MOD Set 1.2: A 67 THR OG1 : rot 28:sc=-0.00917 USER MOD Set 1.3: A 69 ASN : amide:sc= -0.837 X(o=-1.6,f=-1.3) USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 1 USER MOD Set 2.2: A 40 THR OG1 : rot 177:sc= 0.516 USER MOD Single : A 7 SER OG : rot 60:sc= 0.216 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 156:sc= 0.798 USER MOD Single : A 14 ASN : amide:sc= -0.905 K(o=-0.91,f=-6!) 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= -2.21 X(o=-2.2,f=-1.8) USER MOD Single : A 24 ASN : amide:sc= -0.315 X(o=-0.32,f=-0.15) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0716 USER MOD Single : A 34 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.1) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.032) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -160:sc= -0.791 USER MOD Single : A 48 SER OG : rot 44:sc= 0.429 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.27) 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= -0.71 K(o=-0.71,f=0.48) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -100:sc= -0.0232 USER MOD Single : A 62 HIS : no HD1:sc= -0.0841 X(o=-0.084,f=-0.11) USER MOD Single : A 66 SER OG : rot 180:sc= -0.251 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.31) 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 13:sc= -0.936 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 85 SER OG : rot 150:sc= -0.535 USER MOD Single : A 86 THR OG1 : rot 135:sc= -0.229 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= -0.046 K(o=-0.046,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 16.117 0.697 2.264 1.00 64.41 N ATOM 72 CA VAL A 6 15.577 1.633 3.242 1.00 34.43 C ATOM 73 C VAL A 6 16.613 1.975 4.306 1.00 3.52 C ATOM 74 O VAL A 6 16.829 3.145 4.623 1.00 12.23 O ATOM 75 CB VAL A 6 14.321 1.063 3.929 1.00 10.42 C ATOM 76 CG1 VAL A 6 13.673 2.116 4.816 1.00 44.34 C ATOM 77 CG2 VAL A 6 13.335 0.547 2.892 1.00 14.54 C ATOM 0 HA VAL A 6 15.307 2.538 2.698 1.00 34.43 H new ATOM 0 HB VAL A 6 14.621 0.226 4.560 1.00 10.42 H new ATOM 0 HG11 VAL A 6 12.788 1.695 5.293 1.00 44.34 H new ATOM 0 HG12 VAL A 6 14.381 2.433 5.581 1.00 44.34 H new ATOM 0 HG13 VAL A 6 13.385 2.975 4.210 1.00 44.34 H new ATOM 0 HG21 VAL A 6 12.454 0.148 3.395 1.00 14.54 H new ATOM 0 HG22 VAL A 6 13.039 1.364 2.234 1.00 14.54 H new ATOM 0 HG23 VAL A 6 13.805 -0.241 2.304 1.00 14.54 H new ATOM 87 N SER A 7 17.253 0.947 4.854 1.00 2.41 N ATOM 88 CA SER A 7 18.266 1.139 5.886 1.00 50.24 C ATOM 89 C SER A 7 18.852 -0.198 6.327 1.00 34.54 C ATOM 90 O SER A 7 18.242 -1.250 6.130 1.00 25.42 O ATOM 91 CB SER A 7 17.666 1.869 7.089 1.00 25.12 C ATOM 92 OG SER A 7 18.170 3.190 7.187 1.00 14.01 O ATOM 0 H SER A 7 17.088 -0.027 4.601 1.00 2.41 H new ATOM 0 HA SER A 7 19.068 1.746 5.466 1.00 50.24 H new ATOM 0 HB2 SER A 7 16.580 1.897 6.997 1.00 25.12 H new ATOM 0 HB3 SER A 7 17.895 1.320 8.003 1.00 25.12 H new ATOM 0 HG SER A 7 17.942 3.688 6.375 1.00 14.01 H new ATOM 98 N ILE A 8 20.037 -0.149 6.926 1.00 71.53 N ATOM 99 CA ILE A 8 20.705 -1.356 7.397 1.00 71.44 C ATOM 100 C ILE A 8 21.538 -1.073 8.642 1.00 32.32 C ATOM 101 O ILE A 8 22.238 -0.064 8.717 1.00 43.12 O ATOM 102 CB ILE A 8 21.616 -1.957 6.309 1.00 14.42 C ATOM 103 CG1 ILE A 8 20.841 -2.125 5.000 1.00 2.34 C ATOM 104 CG2 ILE A 8 22.183 -3.291 6.771 1.00 52.25 C ATOM 105 CD1 ILE A 8 21.670 -2.711 3.879 1.00 31.10 C ATOM 0 H ILE A 8 20.554 0.713 7.097 1.00 71.53 H new ATOM 0 HA ILE A 8 19.923 -2.074 7.642 1.00 71.44 H new ATOM 0 HB ILE A 8 22.446 -1.273 6.132 1.00 14.42 H new ATOM 0 HG12 ILE A 8 19.979 -2.767 5.178 1.00 2.34 H new ATOM 0 HG13 ILE A 8 20.456 -1.154 4.688 1.00 2.34 H new ATOM 0 HG21 ILE A 8 22.824 -3.703 5.992 1.00 52.25 H new ATOM 0 HG22 ILE A 8 22.766 -3.143 7.680 1.00 52.25 H new ATOM 0 HG23 ILE A 8 21.366 -3.984 6.972 1.00 52.25 H new ATOM 0 HD11 ILE A 8 21.057 -2.802 2.982 1.00 31.10 H new ATOM 0 HD12 ILE A 8 22.518 -2.058 3.674 1.00 31.10 H new ATOM 0 HD13 ILE A 8 22.033 -3.696 4.172 1.00 31.10 H new ATOM 117 N SER A 9 21.458 -1.972 9.618 1.00 71.52 N ATOM 118 CA SER A 9 22.203 -1.819 10.862 1.00 51.21 C ATOM 119 C SER A 9 23.494 -2.632 10.826 1.00 14.50 C ATOM 120 O SER A 9 23.467 -3.862 10.853 1.00 21.00 O ATOM 121 CB SER A 9 21.345 -2.254 12.052 1.00 65.43 C ATOM 122 OG SER A 9 20.934 -1.137 12.820 1.00 72.12 O ATOM 0 H SER A 9 20.884 -2.814 9.571 1.00 71.52 H new ATOM 0 HA SER A 9 22.461 -0.766 10.975 1.00 51.21 H new ATOM 0 HB2 SER A 9 20.469 -2.795 11.694 1.00 65.43 H new ATOM 0 HB3 SER A 9 21.911 -2.942 12.680 1.00 65.43 H new ATOM 0 HG SER A 9 20.386 -1.442 13.573 1.00 72.12 H new ATOM 128 N VAL A 10 24.623 -1.934 10.765 1.00 44.31 N ATOM 129 CA VAL A 10 25.925 -2.589 10.726 1.00 4.23 C ATOM 130 C VAL A 10 26.579 -2.593 12.103 1.00 23.34 C ATOM 131 O VAL A 10 26.597 -1.576 12.797 1.00 71.41 O ATOM 132 CB VAL A 10 26.870 -1.901 9.724 1.00 45.45 C ATOM 133 CG1 VAL A 10 27.167 -0.474 10.161 1.00 33.32 C ATOM 134 CG2 VAL A 10 28.157 -2.698 9.571 1.00 72.13 C ATOM 0 H VAL A 10 24.663 -0.915 10.742 1.00 44.31 H new ATOM 0 HA VAL A 10 25.753 -3.616 10.405 1.00 4.23 H new ATOM 0 HB VAL A 10 26.375 -1.863 8.754 1.00 45.45 H new ATOM 0 HG11 VAL A 10 27.836 -0.005 9.440 1.00 33.32 H new ATOM 0 HG12 VAL A 10 26.237 0.091 10.214 1.00 33.32 H new ATOM 0 HG13 VAL A 10 27.641 -0.485 11.142 1.00 33.32 H new ATOM 0 HG21 VAL A 10 28.813 -2.197 8.859 1.00 72.13 H new ATOM 0 HG22 VAL A 10 28.657 -2.770 10.537 1.00 72.13 H new ATOM 0 HG23 VAL A 10 27.924 -3.699 9.207 1.00 72.13 H new ATOM 144 N SER A 11 27.117 -3.745 12.493 1.00 10.45 N ATOM 145 CA SER A 11 27.770 -3.883 13.790 1.00 50.01 C ATOM 146 C SER A 11 29.258 -4.172 13.620 1.00 4.35 C ATOM 147 O SER A 11 29.737 -5.275 13.883 1.00 73.40 O ATOM 148 CB SER A 11 27.111 -5.001 14.600 1.00 71.22 C ATOM 149 OG SER A 11 25.844 -4.597 15.090 1.00 61.41 O ATOM 0 H SER A 11 27.113 -4.595 11.930 1.00 10.45 H new ATOM 0 HA SER A 11 27.659 -2.941 14.327 1.00 50.01 H new ATOM 0 HB2 SER A 11 26.997 -5.888 13.976 1.00 71.22 H new ATOM 0 HB3 SER A 11 27.755 -5.278 15.434 1.00 71.22 H new ATOM 0 HG SER A 11 25.443 -5.330 15.603 1.00 61.41 H new ATOM 155 N PRO A 12 30.010 -3.156 13.171 1.00 52.24 N ATOM 156 CA PRO A 12 31.455 -3.275 12.956 1.00 41.41 C ATOM 157 C PRO A 12 32.228 -3.395 14.265 1.00 34.21 C ATOM 158 O PRO A 12 31.922 -2.713 15.244 1.00 31.51 O ATOM 159 CB PRO A 12 31.816 -1.970 12.240 1.00 32.53 C ATOM 160 CG PRO A 12 30.762 -1.004 12.659 1.00 30.44 C ATOM 161 CD PRO A 12 29.507 -1.813 12.837 1.00 15.44 C ATOM 0 HA PRO A 12 31.710 -4.172 12.392 1.00 41.41 H new ATOM 0 HB2 PRO A 12 32.808 -1.622 12.527 1.00 32.53 H new ATOM 0 HB3 PRO A 12 31.825 -2.101 11.158 1.00 32.53 H new ATOM 0 HG2 PRO A 12 31.038 -0.503 13.587 1.00 30.44 H new ATOM 0 HG3 PRO A 12 30.623 -0.228 11.907 1.00 30.44 H new ATOM 0 HD2 PRO A 12 28.879 -1.410 13.632 1.00 15.44 H new ATOM 0 HD3 PRO A 12 28.904 -1.824 11.929 1.00 15.44 H new ATOM 169 N THR A 13 33.232 -4.267 14.277 1.00 55.34 N ATOM 170 CA THR A 13 34.048 -4.477 15.466 1.00 75.04 C ATOM 171 C THR A 13 35.463 -3.951 15.261 1.00 45.21 C ATOM 172 O THR A 13 36.220 -4.479 14.447 1.00 2.23 O ATOM 173 CB THR A 13 34.116 -5.969 15.843 1.00 1.23 C ATOM 174 OG1 THR A 13 34.723 -6.715 14.783 1.00 63.22 O ATOM 175 CG2 THR A 13 32.727 -6.520 16.127 1.00 12.40 C ATOM 0 H THR A 13 33.499 -4.839 13.476 1.00 55.34 H new ATOM 0 HA THR A 13 33.573 -3.926 16.278 1.00 75.04 H new ATOM 0 HB THR A 13 34.719 -6.065 16.746 1.00 1.23 H new ATOM 0 HG1 THR A 13 35.116 -7.537 15.145 1.00 63.22 H new ATOM 0 HG21 THR A 13 32.801 -7.575 16.391 1.00 12.40 H new ATOM 0 HG22 THR A 13 32.279 -5.970 16.954 1.00 12.40 H new ATOM 0 HG23 THR A 13 32.104 -6.411 15.239 1.00 12.40 H new ATOM 183 N ASN A 14 35.815 -2.907 16.005 1.00 63.20 N ATOM 184 CA ASN A 14 37.142 -2.310 15.905 1.00 52.54 C ATOM 185 C ASN A 14 38.026 -2.750 17.067 1.00 24.00 C ATOM 186 O ASN A 14 37.757 -2.424 18.223 1.00 25.42 O ATOM 187 CB ASN A 14 37.036 -0.783 15.880 1.00 72.43 C ATOM 188 CG ASN A 14 36.154 -0.283 14.752 1.00 34.50 C ATOM 189 OD1 ASN A 14 36.645 0.186 13.726 1.00 43.41 O ATOM 190 ND2 ASN A 14 34.842 -0.383 14.938 1.00 5.44 N ATOM 0 H ASN A 14 35.200 -2.457 16.683 1.00 63.20 H new ATOM 0 HA ASN A 14 37.598 -2.652 14.976 1.00 52.54 H new ATOM 0 HB2 ASN A 14 36.637 -0.434 16.832 1.00 72.43 H new ATOM 0 HB3 ASN A 14 38.033 -0.354 15.776 1.00 72.43 H new ATOM 0 HD21 ASN A 14 34.198 -0.064 14.214 1.00 5.44 H new ATOM 0 HD22 ASN A 14 34.479 -0.779 15.805 1.00 5.44 H new ATOM 197 N SER A 15 39.083 -3.492 16.751 1.00 21.03 N ATOM 198 CA SER A 15 40.006 -3.980 17.769 1.00 30.23 C ATOM 199 C SER A 15 41.233 -4.620 17.128 1.00 64.22 C ATOM 200 O SER A 15 41.445 -4.512 15.919 1.00 5.15 O ATOM 201 CB SER A 15 39.306 -4.992 18.679 1.00 3.43 C ATOM 202 OG SER A 15 39.484 -4.657 20.045 1.00 70.21 O ATOM 0 H SER A 15 39.321 -3.768 15.798 1.00 21.03 H new ATOM 0 HA SER A 15 40.332 -3.129 18.367 1.00 30.23 H new ATOM 0 HB2 SER A 15 38.242 -5.022 18.444 1.00 3.43 H new ATOM 0 HB3 SER A 15 39.702 -5.990 18.491 1.00 3.43 H new ATOM 0 HG SER A 15 39.026 -5.317 20.606 1.00 70.21 H new ATOM 208 N THR A 16 42.041 -5.288 17.946 1.00 34.30 N ATOM 209 CA THR A 16 43.248 -5.945 17.461 1.00 74.23 C ATOM 210 C THR A 16 43.054 -7.455 17.371 1.00 51.42 C ATOM 211 O THR A 16 42.246 -8.032 18.099 1.00 5.53 O ATOM 212 CB THR A 16 44.454 -5.647 18.371 1.00 60.30 C ATOM 213 OG1 THR A 16 44.310 -6.338 19.617 1.00 63.52 O ATOM 214 CG2 THR A 16 44.583 -4.153 18.626 1.00 24.22 C ATOM 0 H THR A 16 41.881 -5.388 18.948 1.00 34.30 H new ATOM 0 HA THR A 16 43.446 -5.547 16.466 1.00 74.23 H new ATOM 0 HB THR A 16 45.356 -5.993 17.866 1.00 60.30 H new ATOM 0 HG1 THR A 16 45.082 -6.145 20.189 1.00 63.52 H new ATOM 0 HG21 THR A 16 45.442 -3.967 19.271 1.00 24.22 H new ATOM 0 HG22 THR A 16 44.722 -3.633 17.678 1.00 24.22 H new ATOM 0 HG23 THR A 16 43.678 -3.787 19.112 1.00 24.22 H new ATOM 222 N VAL A 17 43.800 -8.090 16.473 1.00 42.12 N ATOM 223 CA VAL A 17 43.712 -9.534 16.289 1.00 53.41 C ATOM 224 C VAL A 17 45.097 -10.160 16.183 1.00 25.14 C ATOM 225 O VAL A 17 46.054 -9.508 15.766 1.00 24.34 O ATOM 226 CB VAL A 17 42.902 -9.890 15.028 1.00 33.23 C ATOM 227 CG1 VAL A 17 43.654 -9.473 13.774 1.00 3.11 C ATOM 228 CG2 VAL A 17 42.587 -11.378 15.001 1.00 61.30 C ATOM 0 H VAL A 17 44.472 -7.627 15.861 1.00 42.12 H new ATOM 0 HA VAL A 17 43.202 -9.934 17.165 1.00 53.41 H new ATOM 0 HB VAL A 17 41.960 -9.342 15.056 1.00 33.23 H new ATOM 0 HG11 VAL A 17 43.066 -9.733 12.894 1.00 3.11 H new ATOM 0 HG12 VAL A 17 43.823 -8.396 13.792 1.00 3.11 H new ATOM 0 HG13 VAL A 17 44.613 -9.991 13.736 1.00 3.11 H new ATOM 0 HG21 VAL A 17 42.014 -11.612 14.104 1.00 61.30 H new ATOM 0 HG22 VAL A 17 43.517 -11.947 14.997 1.00 61.30 H new ATOM 0 HG23 VAL A 17 42.004 -11.642 15.883 1.00 61.30 H new ATOM 238 N ALA A 18 45.197 -11.430 16.564 1.00 44.42 N ATOM 239 CA ALA A 18 46.466 -12.146 16.510 1.00 52.34 C ATOM 240 C ALA A 18 46.884 -12.414 15.068 1.00 53.12 C ATOM 241 O ALA A 18 46.070 -12.327 14.148 1.00 72.30 O ATOM 242 CB ALA A 18 46.368 -13.452 17.284 1.00 1.44 C ATOM 0 H ALA A 18 44.415 -11.984 16.913 1.00 44.42 H new ATOM 0 HA ALA A 18 47.229 -11.519 16.971 1.00 52.34 H new ATOM 0 HB1 ALA A 18 47.322 -13.976 17.235 1.00 1.44 H new ATOM 0 HB2 ALA A 18 46.123 -13.241 18.325 1.00 1.44 H new ATOM 0 HB3 ALA A 18 45.588 -14.076 16.847 1.00 1.44 H new ATOM 248 N LYS A 19 48.158 -12.739 14.877 1.00 74.33 N ATOM 249 CA LYS A 19 48.685 -13.021 13.547 1.00 53.13 C ATOM 250 C LYS A 19 47.920 -14.165 12.889 1.00 34.03 C ATOM 251 O LYS A 19 47.661 -15.192 13.515 1.00 64.31 O ATOM 252 CB LYS A 19 50.173 -13.369 13.629 1.00 73.04 C ATOM 253 CG LYS A 19 51.018 -12.679 12.572 1.00 72.34 C ATOM 254 CD LYS A 19 51.732 -13.685 11.685 1.00 24.41 C ATOM 255 CE LYS A 19 52.881 -14.359 12.420 1.00 1.01 C ATOM 256 NZ LYS A 19 52.982 -15.806 12.083 1.00 25.04 N ATOM 0 H LYS A 19 48.845 -12.814 15.627 1.00 74.33 H new ATOM 0 HA LYS A 19 48.560 -12.126 12.937 1.00 53.13 H new ATOM 0 HB2 LYS A 19 50.547 -13.097 14.616 1.00 73.04 H new ATOM 0 HB3 LYS A 19 50.291 -14.448 13.529 1.00 73.04 H new ATOM 0 HG2 LYS A 19 50.384 -12.038 11.959 1.00 72.34 H new ATOM 0 HG3 LYS A 19 51.751 -12.034 13.055 1.00 72.34 H new ATOM 0 HD2 LYS A 19 51.023 -14.440 11.345 1.00 24.41 H new ATOM 0 HD3 LYS A 19 52.112 -13.182 10.796 1.00 24.41 H new ATOM 0 HE2 LYS A 19 53.817 -13.861 12.166 1.00 1.01 H new ATOM 0 HE3 LYS A 19 52.741 -14.245 13.495 1.00 1.01 H new ATOM 0 HZ1 LYS A 19 53.777 -16.229 12.604 1.00 25.04 H new ATOM 0 HZ2 LYS A 19 52.099 -16.287 12.349 1.00 25.04 H new ATOM 0 HZ3 LYS A 19 53.141 -15.914 11.061 1.00 25.04 H new ATOM 270 N GLY A 20 47.561 -13.980 11.622 1.00 34.23 N ATOM 271 CA GLY A 20 46.830 -15.006 10.901 1.00 10.12 C ATOM 272 C GLY A 20 45.530 -15.381 11.585 1.00 24.41 C ATOM 273 O GLY A 20 45.513 -16.226 12.481 1.00 22.14 O ATOM 0 H GLY A 20 47.763 -13.138 11.082 1.00 34.23 H new ATOM 0 HA2 GLY A 20 46.617 -14.655 9.891 1.00 10.12 H new ATOM 0 HA3 GLY A 20 47.455 -15.894 10.805 1.00 10.12 H new ATOM 277 N LEU A 21 44.439 -14.752 11.164 1.00 31.10 N ATOM 278 CA LEU A 21 43.128 -15.023 11.743 1.00 32.43 C ATOM 279 C LEU A 21 42.038 -14.248 11.010 1.00 33.14 C ATOM 280 O LEU A 21 42.318 -13.270 10.318 1.00 31.02 O ATOM 281 CB LEU A 21 43.119 -14.658 13.229 1.00 40.44 C ATOM 282 CG LEU A 21 42.973 -15.824 14.206 1.00 24.23 C ATOM 283 CD1 LEU A 21 43.916 -15.652 15.387 1.00 64.01 C ATOM 284 CD2 LEU A 21 41.534 -15.943 14.684 1.00 15.23 C ATOM 0 H LEU A 21 44.436 -14.051 10.424 1.00 31.10 H new ATOM 0 HA LEU A 21 42.924 -16.088 11.636 1.00 32.43 H new ATOM 0 HB2 LEU A 21 44.045 -14.132 13.459 1.00 40.44 H new ATOM 0 HB3 LEU A 21 42.302 -13.958 13.406 1.00 40.44 H new ATOM 0 HG LEU A 21 43.239 -16.744 13.685 1.00 24.23 H new ATOM 0 HD11 LEU A 21 43.798 -16.492 16.072 1.00 64.01 H new ATOM 0 HD12 LEU A 21 44.945 -15.618 15.029 1.00 64.01 H new ATOM 0 HD13 LEU A 21 43.682 -14.723 15.907 1.00 64.01 H new ATOM 0 HD21 LEU A 21 41.449 -16.779 15.379 1.00 15.23 H new ATOM 0 HD22 LEU A 21 41.240 -15.022 15.187 1.00 15.23 H new ATOM 0 HD23 LEU A 21 40.880 -16.114 13.829 1.00 15.23 H new ATOM 296 N GLN A 22 40.795 -14.691 11.170 1.00 73.12 N ATOM 297 CA GLN A 22 39.663 -14.037 10.524 1.00 34.21 C ATOM 298 C GLN A 22 38.613 -13.625 11.552 1.00 64.35 C ATOM 299 O GLN A 22 38.486 -14.247 12.606 1.00 63.45 O ATOM 300 CB GLN A 22 39.036 -14.966 9.482 1.00 5.04 C ATOM 301 CG GLN A 22 38.888 -16.402 9.959 1.00 52.14 C ATOM 302 CD GLN A 22 37.909 -16.537 11.108 1.00 22.15 C ATOM 303 OE1 GLN A 22 38.232 -17.111 12.149 1.00 73.20 O ATOM 304 NE2 GLN A 22 36.705 -16.007 10.927 1.00 62.51 N ATOM 0 H GLN A 22 40.546 -15.499 11.741 1.00 73.12 H new ATOM 0 HA GLN A 22 40.030 -13.140 10.026 1.00 34.21 H new ATOM 0 HB2 GLN A 22 38.054 -14.580 9.207 1.00 5.04 H new ATOM 0 HB3 GLN A 22 39.648 -14.953 8.580 1.00 5.04 H new ATOM 0 HG2 GLN A 22 38.555 -17.024 9.128 1.00 52.14 H new ATOM 0 HG3 GLN A 22 39.862 -16.780 10.270 1.00 52.14 H new ATOM 0 HE21 GLN A 22 36.480 -15.540 10.048 1.00 62.51 H new ATOM 0 HE22 GLN A 22 36.005 -16.066 11.667 1.00 62.51 H new ATOM 313 N GLU A 23 37.865 -12.573 11.236 1.00 12.14 N ATOM 314 CA GLU A 23 36.828 -12.078 12.134 1.00 75.02 C ATOM 315 C GLU A 23 35.479 -12.013 11.423 1.00 34.41 C ATOM 316 O GLU A 23 35.368 -11.466 10.327 1.00 4.11 O ATOM 317 CB GLU A 23 37.202 -10.694 12.668 1.00 52.23 C ATOM 318 CG GLU A 23 37.692 -10.708 14.106 1.00 73.21 C ATOM 319 CD GLU A 23 36.645 -10.211 15.084 1.00 50.42 C ATOM 320 OE1 GLU A 23 36.032 -9.157 14.811 1.00 62.13 O ATOM 321 OE2 GLU A 23 36.439 -10.874 16.121 1.00 13.34 O ATOM 0 H GLU A 23 37.957 -12.048 10.367 1.00 12.14 H new ATOM 0 HA GLU A 23 36.746 -12.772 12.970 1.00 75.02 H new ATOM 0 HB2 GLU A 23 37.978 -10.266 12.033 1.00 52.23 H new ATOM 0 HB3 GLU A 23 36.334 -10.039 12.595 1.00 52.23 H new ATOM 0 HG2 GLU A 23 37.984 -11.723 14.377 1.00 73.21 H new ATOM 0 HG3 GLU A 23 38.584 -10.087 14.188 1.00 73.21 H new ATOM 328 N ASN A 24 34.455 -12.578 12.056 1.00 3.43 N ATOM 329 CA ASN A 24 33.113 -12.586 11.485 1.00 45.41 C ATOM 330 C ASN A 24 32.376 -11.290 11.809 1.00 45.30 C ATOM 331 O ASN A 24 32.488 -10.759 12.914 1.00 32.35 O ATOM 332 CB ASN A 24 32.319 -13.783 12.012 1.00 43.43 C ATOM 333 CG ASN A 24 32.126 -13.732 13.515 1.00 51.40 C ATOM 334 OD1 ASN A 24 31.164 -13.142 14.009 1.00 64.23 O ATOM 335 ND2 ASN A 24 33.042 -14.351 14.251 1.00 50.35 N ATOM 0 H ASN A 24 34.529 -13.036 12.964 1.00 3.43 H new ATOM 0 HA ASN A 24 33.206 -12.669 10.402 1.00 45.41 H new ATOM 0 HB2 ASN A 24 31.345 -13.812 11.524 1.00 43.43 H new ATOM 0 HB3 ASN A 24 32.837 -14.705 11.746 1.00 43.43 H new ATOM 0 HD21 ASN A 24 32.965 -14.350 15.268 1.00 50.35 H new ATOM 0 HD22 ASN A 24 33.823 -14.827 13.799 1.00 50.35 H new ATOM 342 N PHE A 25 31.623 -10.785 10.838 1.00 71.24 N ATOM 343 CA PHE A 25 30.867 -9.551 11.019 1.00 63.23 C ATOM 344 C PHE A 25 29.367 -9.831 11.046 1.00 45.21 C ATOM 345 O PHE A 25 28.932 -10.966 10.853 1.00 30.23 O ATOM 346 CB PHE A 25 31.193 -8.560 9.899 1.00 35.04 C ATOM 347 CG PHE A 25 31.064 -9.147 8.523 1.00 65.21 C ATOM 348 CD1 PHE A 25 32.124 -9.826 7.944 1.00 62.24 C ATOM 349 CD2 PHE A 25 29.884 -9.020 7.808 1.00 44.40 C ATOM 350 CE1 PHE A 25 32.010 -10.368 6.677 1.00 34.12 C ATOM 351 CE2 PHE A 25 29.764 -9.560 6.542 1.00 52.35 C ATOM 352 CZ PHE A 25 30.828 -10.234 5.975 1.00 41.31 C ATOM 0 H PHE A 25 31.520 -11.211 9.917 1.00 71.24 H new ATOM 0 HA PHE A 25 31.154 -9.115 11.976 1.00 63.23 H new ATOM 0 HB2 PHE A 25 30.529 -7.699 9.982 1.00 35.04 H new ATOM 0 HB3 PHE A 25 32.210 -8.192 10.035 1.00 35.04 H new ATOM 0 HD1 PHE A 25 33.050 -9.933 8.489 1.00 62.24 H new ATOM 0 HD2 PHE A 25 29.049 -8.493 8.245 1.00 44.40 H new ATOM 0 HE1 PHE A 25 32.844 -10.895 6.237 1.00 34.12 H new ATOM 0 HE2 PHE A 25 28.838 -9.455 5.996 1.00 52.35 H new ATOM 0 HZ PHE A 25 30.736 -10.655 4.985 1.00 41.31 H new ATOM 362 N LYS A 26 28.581 -8.787 11.287 1.00 25.01 N ATOM 363 CA LYS A 26 27.130 -8.917 11.339 1.00 22.34 C ATOM 364 C LYS A 26 26.453 -7.735 10.654 1.00 13.24 C ATOM 365 O LYS A 26 26.731 -6.579 10.972 1.00 14.13 O ATOM 366 CB LYS A 26 26.659 -9.018 12.792 1.00 54.22 C ATOM 367 CG LYS A 26 25.914 -10.305 13.102 1.00 53.33 C ATOM 368 CD LYS A 26 24.640 -10.037 13.886 1.00 41.30 C ATOM 369 CE LYS A 26 23.798 -11.295 14.029 1.00 61.44 C ATOM 370 NZ LYS A 26 24.190 -12.092 15.224 1.00 62.52 N ATOM 0 H LYS A 26 28.925 -7.841 11.449 1.00 25.01 H new ATOM 0 HA LYS A 26 26.852 -9.828 10.809 1.00 22.34 H new ATOM 0 HB2 LYS A 26 27.523 -8.941 13.452 1.00 54.22 H new ATOM 0 HB3 LYS A 26 26.011 -8.170 13.015 1.00 54.22 H new ATOM 0 HG2 LYS A 26 25.669 -10.818 12.172 1.00 53.33 H new ATOM 0 HG3 LYS A 26 26.560 -10.972 13.673 1.00 53.33 H new ATOM 0 HD2 LYS A 26 24.894 -9.654 14.874 1.00 41.30 H new ATOM 0 HD3 LYS A 26 24.058 -9.264 13.384 1.00 41.30 H new ATOM 0 HE2 LYS A 26 22.746 -11.021 14.105 1.00 61.44 H new ATOM 0 HE3 LYS A 26 23.905 -11.907 13.133 1.00 61.44 H new ATOM 0 HZ1 LYS A 26 23.593 -12.941 15.286 1.00 62.52 H new ATOM 0 HZ2 LYS A 26 25.187 -12.375 15.140 1.00 62.52 H new ATOM 0 HZ3 LYS A 26 24.064 -11.517 16.081 1.00 62.52 H new ATOM 384 N ALA A 27 25.562 -8.032 9.714 1.00 32.32 N ATOM 385 CA ALA A 27 24.842 -6.994 8.987 1.00 3.45 C ATOM 386 C ALA A 27 23.377 -7.371 8.799 1.00 52.54 C ATOM 387 O ALA A 27 23.059 -8.360 8.138 1.00 50.24 O ATOM 388 CB ALA A 27 25.502 -6.739 7.640 1.00 14.01 C ATOM 0 H ALA A 27 25.321 -8.984 9.438 1.00 32.32 H new ATOM 0 HA ALA A 27 24.881 -6.078 9.577 1.00 3.45 H new ATOM 0 HB1 ALA A 27 24.954 -5.962 7.108 1.00 14.01 H new ATOM 0 HB2 ALA A 27 26.532 -6.416 7.795 1.00 14.01 H new ATOM 0 HB3 ALA A 27 25.494 -7.656 7.051 1.00 14.01 H new ATOM 394 N THR A 28 22.486 -6.576 9.384 1.00 31.01 N ATOM 395 CA THR A 28 21.054 -6.827 9.282 1.00 60.41 C ATOM 396 C THR A 28 20.344 -5.680 8.572 1.00 33.41 C ATOM 397 O THR A 28 20.112 -4.624 9.158 1.00 41.43 O ATOM 398 CB THR A 28 20.418 -7.029 10.670 1.00 5.04 C ATOM 399 OG1 THR A 28 21.164 -7.999 11.414 1.00 31.42 O ATOM 400 CG2 THR A 28 18.972 -7.482 10.543 1.00 71.11 C ATOM 0 H THR A 28 22.732 -5.753 9.934 1.00 31.01 H new ATOM 0 HA THR A 28 20.934 -7.741 8.700 1.00 60.41 H new ATOM 0 HB THR A 28 20.437 -6.075 11.196 1.00 5.04 H new ATOM 0 HG1 THR A 28 20.754 -8.121 12.296 1.00 31.42 H new ATOM 0 HG21 THR A 28 18.545 -7.618 11.537 1.00 71.11 H new ATOM 0 HG22 THR A 28 18.401 -6.728 10.002 1.00 71.11 H new ATOM 0 HG23 THR A 28 18.933 -8.426 9.999 1.00 71.11 H new ATOM 408 N GLY A 29 19.999 -5.896 7.306 1.00 23.51 N ATOM 409 CA GLY A 29 19.318 -4.871 6.537 1.00 31.35 C ATOM 410 C GLY A 29 17.811 -4.940 6.687 1.00 0.12 C ATOM 411 O GLY A 29 17.236 -6.027 6.753 1.00 2.14 O ATOM 0 H GLY A 29 20.179 -6.763 6.799 1.00 23.51 H new ATOM 0 HA2 GLY A 29 19.667 -3.889 6.856 1.00 31.35 H new ATOM 0 HA3 GLY A 29 19.581 -4.976 5.484 1.00 31.35 H new ATOM 415 N ILE A 30 17.170 -3.777 6.742 1.00 20.34 N ATOM 416 CA ILE A 30 15.721 -3.711 6.886 1.00 41.50 C ATOM 417 C ILE A 30 15.080 -3.031 5.681 1.00 10.40 C ATOM 418 O ILE A 30 15.407 -1.890 5.351 1.00 63.50 O ATOM 419 CB ILE A 30 15.316 -2.953 8.164 1.00 4.13 C ATOM 420 CG1 ILE A 30 13.794 -2.818 8.243 1.00 23.12 C ATOM 421 CG2 ILE A 30 15.977 -1.583 8.200 1.00 65.11 C ATOM 422 CD1 ILE A 30 13.304 -2.269 9.565 1.00 70.42 C ATOM 0 H ILE A 30 17.631 -2.869 6.689 1.00 20.34 H new ATOM 0 HA ILE A 30 15.363 -4.738 6.954 1.00 41.50 H new ATOM 0 HB ILE A 30 15.657 -3.522 9.029 1.00 4.13 H new ATOM 0 HG12 ILE A 30 13.453 -2.166 7.439 1.00 23.12 H new ATOM 0 HG13 ILE A 30 13.341 -3.795 8.074 1.00 23.12 H new ATOM 0 HG21 ILE A 30 15.681 -1.060 9.109 1.00 65.11 H new ATOM 0 HG22 ILE A 30 17.060 -1.701 8.186 1.00 65.11 H new ATOM 0 HG23 ILE A 30 15.664 -1.005 7.331 1.00 65.11 H new ATOM 0 HD11 ILE A 30 12.216 -2.200 9.550 1.00 70.42 H new ATOM 0 HD12 ILE A 30 13.615 -2.933 10.372 1.00 70.42 H new ATOM 0 HD13 ILE A 30 13.728 -1.278 9.727 1.00 70.42 H new ATOM 434 N PHE A 31 14.163 -3.737 5.028 1.00 23.21 N ATOM 435 CA PHE A 31 13.475 -3.202 3.860 1.00 55.24 C ATOM 436 C PHE A 31 11.980 -3.501 3.925 1.00 73.13 C ATOM 437 O PHE A 31 11.564 -4.537 4.445 1.00 14.23 O ATOM 438 CB PHE A 31 14.068 -3.789 2.578 1.00 64.34 C ATOM 439 CG PHE A 31 15.570 -3.819 2.572 1.00 61.44 C ATOM 440 CD1 PHE A 31 16.298 -2.681 2.264 1.00 32.21 C ATOM 441 CD2 PHE A 31 16.254 -4.986 2.873 1.00 71.31 C ATOM 442 CE1 PHE A 31 17.680 -2.705 2.258 1.00 72.40 C ATOM 443 CE2 PHE A 31 17.636 -5.016 2.869 1.00 74.42 C ATOM 444 CZ PHE A 31 18.349 -3.875 2.560 1.00 45.02 C ATOM 0 H PHE A 31 13.879 -4.682 5.288 1.00 23.21 H new ATOM 0 HA PHE A 31 13.612 -2.121 3.853 1.00 55.24 H new ATOM 0 HB2 PHE A 31 13.692 -4.803 2.444 1.00 64.34 H new ATOM 0 HB3 PHE A 31 13.721 -3.205 1.726 1.00 64.34 H new ATOM 0 HD1 PHE A 31 15.779 -1.764 2.026 1.00 32.21 H new ATOM 0 HD2 PHE A 31 15.701 -5.882 3.113 1.00 71.31 H new ATOM 0 HE1 PHE A 31 18.236 -1.811 2.018 1.00 72.40 H new ATOM 0 HE2 PHE A 31 18.157 -5.931 3.107 1.00 74.42 H new ATOM 0 HZ PHE A 31 19.429 -3.897 2.554 1.00 45.02 H new ATOM 454 N THR A 32 11.175 -2.586 3.393 1.00 62.12 N ATOM 455 CA THR A 32 9.727 -2.750 3.391 1.00 0.33 C ATOM 456 C THR A 32 9.304 -3.898 2.482 1.00 43.42 C ATOM 457 O THR A 32 8.337 -4.604 2.767 1.00 51.15 O ATOM 458 CB THR A 32 9.016 -1.461 2.936 1.00 5.15 C ATOM 459 OG1 THR A 32 9.886 -0.336 3.106 1.00 21.03 O ATOM 460 CG2 THR A 32 7.735 -1.242 3.727 1.00 42.34 C ATOM 0 H THR A 32 11.502 -1.723 2.958 1.00 62.12 H new ATOM 0 HA THR A 32 9.434 -2.976 4.416 1.00 0.33 H new ATOM 0 HB THR A 32 8.760 -1.566 1.882 1.00 5.15 H new ATOM 0 HG1 THR A 32 9.428 0.479 2.813 1.00 21.03 H new ATOM 0 HG21 THR A 32 7.250 -0.326 3.388 1.00 42.34 H new ATOM 0 HG22 THR A 32 7.063 -2.086 3.573 1.00 42.34 H new ATOM 0 HG23 THR A 32 7.972 -1.156 4.787 1.00 42.34 H new ATOM 468 N ASP A 33 10.035 -4.079 1.387 1.00 1.14 N ATOM 469 CA ASP A 33 9.737 -5.143 0.436 1.00 34.32 C ATOM 470 C ASP A 33 10.425 -6.443 0.841 1.00 1.14 C ATOM 471 O ASP A 33 10.291 -7.464 0.168 1.00 43.52 O ATOM 472 CB ASP A 33 10.175 -4.736 -0.971 1.00 63.43 C ATOM 473 CG ASP A 33 11.661 -4.938 -1.196 1.00 20.33 C ATOM 474 OD1 ASP A 33 12.443 -4.682 -0.256 1.00 65.24 O ATOM 475 OD2 ASP A 33 12.041 -5.353 -2.310 1.00 63.32 O ATOM 0 H ASP A 33 10.838 -3.502 1.136 1.00 1.14 H new ATOM 0 HA ASP A 33 8.660 -5.308 0.439 1.00 34.32 H new ATOM 0 HB2 ASP A 33 9.617 -5.318 -1.705 1.00 63.43 H new ATOM 0 HB3 ASP A 33 9.924 -3.688 -1.138 1.00 63.43 H new ATOM 480 N ASN A 34 11.163 -6.396 1.946 1.00 71.41 N ATOM 481 CA ASN A 34 11.874 -7.570 2.440 1.00 41.11 C ATOM 482 C ASN A 34 12.573 -7.266 3.761 1.00 4.24 C ATOM 483 O ASN A 34 13.654 -6.677 3.782 1.00 1.24 O ATOM 484 CB ASN A 34 12.897 -8.045 1.406 1.00 1.31 C ATOM 485 CG ASN A 34 12.406 -9.240 0.613 1.00 34.21 C ATOM 486 OD1 ASN A 34 12.358 -9.207 -0.617 1.00 5.44 O ATOM 487 ND2 ASN A 34 12.036 -10.305 1.316 1.00 42.31 N ATOM 0 H ASN A 34 11.284 -5.559 2.516 1.00 71.41 H new ATOM 0 HA ASN A 34 11.144 -8.362 2.609 1.00 41.11 H new ATOM 0 HB2 ASN A 34 13.125 -7.227 0.722 1.00 1.31 H new ATOM 0 HB3 ASN A 34 13.827 -8.305 1.912 1.00 1.31 H new ATOM 0 HD21 ASN A 34 11.696 -11.139 0.837 1.00 42.31 H new ATOM 0 HD22 ASN A 34 12.092 -10.289 2.334 1.00 42.31 H new ATOM 494 N SER A 35 11.949 -7.672 4.862 1.00 21.22 N ATOM 495 CA SER A 35 12.509 -7.441 6.188 1.00 4.34 C ATOM 496 C SER A 35 14.005 -7.740 6.206 1.00 22.40 C ATOM 497 O SER A 35 14.832 -6.829 6.233 1.00 75.55 O ATOM 498 CB SER A 35 11.792 -8.306 7.226 1.00 1.24 C ATOM 499 OG SER A 35 10.581 -7.701 7.645 1.00 0.03 O ATOM 0 H SER A 35 11.055 -8.163 4.862 1.00 21.22 H new ATOM 0 HA SER A 35 12.363 -6.390 6.438 1.00 4.34 H new ATOM 0 HB2 SER A 35 11.584 -9.289 6.804 1.00 1.24 H new ATOM 0 HB3 SER A 35 12.442 -8.460 8.087 1.00 1.24 H new ATOM 0 HG SER A 35 10.141 -8.274 8.307 1.00 0.03 H new ATOM 505 N ASN A 36 14.345 -9.025 6.191 1.00 20.32 N ATOM 506 CA ASN A 36 15.741 -9.447 6.206 1.00 1.11 C ATOM 507 C ASN A 36 16.149 -10.025 4.854 1.00 22.15 C ATOM 508 O ASN A 36 15.381 -10.748 4.220 1.00 63.13 O ATOM 509 CB ASN A 36 15.971 -10.484 7.307 1.00 14.13 C ATOM 510 CG ASN A 36 15.115 -11.722 7.123 1.00 34.11 C ATOM 511 OD1 ASN A 36 15.548 -12.707 6.525 1.00 43.22 O ATOM 512 ND2 ASN A 36 13.891 -11.677 7.638 1.00 62.33 N ATOM 0 H ASN A 36 13.673 -9.792 6.168 1.00 20.32 H new ATOM 0 HA ASN A 36 16.357 -8.571 6.408 1.00 1.11 H new ATOM 0 HB2 ASN A 36 17.022 -10.771 7.318 1.00 14.13 H new ATOM 0 HB3 ASN A 36 15.753 -10.035 8.276 1.00 14.13 H new ATOM 0 HD21 ASN A 36 13.269 -12.480 7.545 1.00 62.33 H new ATOM 0 HD22 ASN A 36 13.573 -10.839 8.126 1.00 62.33 H new ATOM 519 N SER A 37 17.363 -9.702 4.421 1.00 43.22 N ATOM 520 CA SER A 37 17.873 -10.186 3.143 1.00 31.23 C ATOM 521 C SER A 37 19.318 -10.656 3.278 1.00 61.30 C ATOM 522 O SER A 37 20.174 -9.931 3.786 1.00 74.21 O ATOM 523 CB SER A 37 17.779 -9.087 2.083 1.00 72.40 C ATOM 524 OG SER A 37 16.757 -9.372 1.143 1.00 64.02 O ATOM 0 H SER A 37 18.012 -9.107 4.936 1.00 43.22 H new ATOM 0 HA SER A 37 17.261 -11.033 2.833 1.00 31.23 H new ATOM 0 HB2 SER A 37 17.579 -8.130 2.564 1.00 72.40 H new ATOM 0 HB3 SER A 37 18.735 -8.991 1.568 1.00 72.40 H new ATOM 0 HG SER A 37 16.716 -8.654 0.477 1.00 64.02 H new ATOM 530 N ASP A 38 19.582 -11.875 2.819 1.00 1.24 N ATOM 531 CA ASP A 38 20.923 -12.443 2.887 1.00 65.12 C ATOM 532 C ASP A 38 21.722 -12.101 1.633 1.00 62.31 C ATOM 533 O ASP A 38 21.522 -12.700 0.576 1.00 42.14 O ATOM 534 CB ASP A 38 20.849 -13.961 3.061 1.00 3.34 C ATOM 535 CG ASP A 38 19.726 -14.383 3.988 1.00 52.32 C ATOM 536 OD1 ASP A 38 19.427 -13.631 4.940 1.00 63.13 O ATOM 537 OD2 ASP A 38 19.144 -15.464 3.760 1.00 25.04 O ATOM 0 H ASP A 38 18.885 -12.488 2.396 1.00 1.24 H new ATOM 0 HA ASP A 38 21.431 -12.011 3.749 1.00 65.12 H new ATOM 0 HB2 ASP A 38 20.707 -14.429 2.087 1.00 3.34 H new ATOM 0 HB3 ASP A 38 21.798 -14.325 3.455 1.00 3.34 H new ATOM 542 N ILE A 39 22.626 -11.135 1.758 1.00 32.22 N ATOM 543 CA ILE A 39 23.454 -10.714 0.635 1.00 21.31 C ATOM 544 C ILE A 39 22.609 -10.469 -0.610 1.00 15.31 C ATOM 545 O ILE A 39 23.075 -10.644 -1.736 1.00 71.30 O ATOM 546 CB ILE A 39 24.535 -11.762 0.309 1.00 2.43 C ATOM 547 CG1 ILE A 39 25.133 -12.327 1.599 1.00 24.20 C ATOM 548 CG2 ILE A 39 25.622 -11.148 -0.560 1.00 42.24 C ATOM 549 CD1 ILE A 39 25.744 -11.273 2.495 1.00 12.43 C ATOM 0 H ILE A 39 22.803 -10.629 2.626 1.00 32.22 H new ATOM 0 HA ILE A 39 23.938 -9.784 0.932 1.00 21.31 H new ATOM 0 HB ILE A 39 24.073 -12.580 -0.244 1.00 2.43 H new ATOM 0 HG12 ILE A 39 24.354 -12.854 2.150 1.00 24.20 H new ATOM 0 HG13 ILE A 39 25.896 -13.062 1.344 1.00 24.20 H new ATOM 0 HG21 ILE A 39 26.379 -11.900 -0.782 1.00 42.24 H new ATOM 0 HG22 ILE A 39 25.184 -10.788 -1.491 1.00 42.24 H new ATOM 0 HG23 ILE A 39 26.084 -10.315 -0.031 1.00 42.24 H new ATOM 0 HD11 ILE A 39 26.148 -11.746 3.390 1.00 12.43 H new ATOM 0 HD12 ILE A 39 26.545 -10.762 1.961 1.00 12.43 H new ATOM 0 HD13 ILE A 39 24.980 -10.550 2.780 1.00 12.43 H new ATOM 561 N THR A 40 21.361 -10.059 -0.400 1.00 61.22 N ATOM 562 CA THR A 40 20.450 -9.788 -1.505 1.00 32.32 C ATOM 563 C THR A 40 20.916 -8.587 -2.320 1.00 35.21 C ATOM 564 O THR A 40 20.746 -8.549 -3.539 1.00 13.44 O ATOM 565 CB THR A 40 19.018 -9.528 -1.001 1.00 33.13 C ATOM 566 OG1 THR A 40 18.559 -10.645 -0.230 1.00 41.43 O ATOM 567 CG2 THR A 40 18.070 -9.285 -2.165 1.00 72.44 C ATOM 0 H THR A 40 20.959 -9.908 0.525 1.00 61.22 H new ATOM 0 HA THR A 40 20.449 -10.675 -2.139 1.00 32.32 H new ATOM 0 HB THR A 40 19.034 -8.636 -0.374 1.00 33.13 H new ATOM 0 HG1 THR A 40 17.668 -10.451 0.129 1.00 41.43 H new ATOM 0 HG21 THR A 40 17.065 -9.104 -1.784 1.00 72.44 H new ATOM 0 HG22 THR A 40 18.405 -8.417 -2.732 1.00 72.44 H new ATOM 0 HG23 THR A 40 18.059 -10.160 -2.815 1.00 72.44 H new ATOM 575 N ASP A 41 21.504 -7.609 -1.640 1.00 73.21 N ATOM 576 CA ASP A 41 21.996 -6.407 -2.302 1.00 40.42 C ATOM 577 C ASP A 41 23.413 -6.616 -2.826 1.00 25.23 C ATOM 578 O ASP A 41 23.910 -5.828 -3.630 1.00 23.30 O ATOM 579 CB ASP A 41 21.965 -5.219 -1.339 1.00 23.34 C ATOM 580 CG ASP A 41 20.553 -4.774 -1.013 1.00 61.12 C ATOM 581 OD1 ASP A 41 19.760 -4.576 -1.958 1.00 65.10 O ATOM 582 OD2 ASP A 41 20.240 -4.625 0.186 1.00 1.33 O ATOM 0 H ASP A 41 21.651 -7.625 -0.631 1.00 73.21 H new ATOM 0 HA ASP A 41 21.343 -6.196 -3.148 1.00 40.42 H new ATOM 0 HB2 ASP A 41 22.480 -5.489 -0.417 1.00 23.34 H new ATOM 0 HB3 ASP A 41 22.513 -4.385 -1.778 1.00 23.34 H new ATOM 587 N GLN A 42 24.058 -7.682 -2.363 1.00 22.31 N ATOM 588 CA GLN A 42 25.419 -7.994 -2.784 1.00 2.44 C ATOM 589 C GLN A 42 26.410 -6.983 -2.214 1.00 34.40 C ATOM 590 O GLN A 42 27.161 -6.349 -2.955 1.00 14.00 O ATOM 591 CB GLN A 42 25.512 -8.012 -4.310 1.00 40.53 C ATOM 592 CG GLN A 42 26.614 -8.913 -4.842 1.00 45.03 C ATOM 593 CD GLN A 42 26.303 -9.465 -6.219 1.00 61.43 C ATOM 594 OE1 GLN A 42 26.119 -8.712 -7.176 1.00 20.21 O ATOM 595 NE2 GLN A 42 26.243 -10.787 -6.327 1.00 74.52 N ATOM 0 H GLN A 42 23.660 -8.344 -1.697 1.00 22.31 H new ATOM 0 HA GLN A 42 25.674 -8.982 -2.400 1.00 2.44 H new ATOM 0 HB2 GLN A 42 24.557 -8.340 -4.720 1.00 40.53 H new ATOM 0 HB3 GLN A 42 25.681 -6.996 -4.667 1.00 40.53 H new ATOM 0 HG2 GLN A 42 27.548 -8.353 -4.882 1.00 45.03 H new ATOM 0 HG3 GLN A 42 26.768 -9.740 -4.149 1.00 45.03 H new ATOM 0 HE21 GLN A 42 26.402 -11.373 -5.508 1.00 74.52 H new ATOM 0 HE22 GLN A 42 26.038 -11.216 -7.229 1.00 74.52 H new ATOM 604 N VAL A 43 26.405 -6.838 -0.893 1.00 25.44 N ATOM 605 CA VAL A 43 27.304 -5.906 -0.223 1.00 41.41 C ATOM 606 C VAL A 43 28.743 -6.100 -0.687 1.00 42.11 C ATOM 607 O VAL A 43 29.211 -7.229 -0.843 1.00 54.42 O ATOM 608 CB VAL A 43 27.243 -6.068 1.307 1.00 23.33 C ATOM 609 CG1 VAL A 43 25.803 -6.018 1.793 1.00 12.31 C ATOM 610 CG2 VAL A 43 27.912 -7.367 1.732 1.00 44.14 C ATOM 0 H VAL A 43 25.788 -7.354 -0.265 1.00 25.44 H new ATOM 0 HA VAL A 43 26.973 -4.902 -0.488 1.00 41.41 H new ATOM 0 HB VAL A 43 27.784 -5.240 1.764 1.00 23.33 H new ATOM 0 HG11 VAL A 43 25.780 -6.134 2.877 1.00 12.31 H new ATOM 0 HG12 VAL A 43 25.360 -5.060 1.522 1.00 12.31 H new ATOM 0 HG13 VAL A 43 25.234 -6.824 1.330 1.00 12.31 H new ATOM 0 HG21 VAL A 43 27.860 -7.465 2.816 1.00 44.14 H new ATOM 0 HG22 VAL A 43 27.400 -8.209 1.266 1.00 44.14 H new ATOM 0 HG23 VAL A 43 28.956 -7.358 1.418 1.00 44.14 H new ATOM 620 N THR A 44 29.443 -4.991 -0.906 1.00 65.33 N ATOM 621 CA THR A 44 30.830 -5.039 -1.353 1.00 51.22 C ATOM 622 C THR A 44 31.791 -4.922 -0.176 1.00 43.21 C ATOM 623 O THR A 44 31.757 -3.944 0.571 1.00 52.24 O ATOM 624 CB THR A 44 31.133 -3.916 -2.363 1.00 4.21 C ATOM 625 OG1 THR A 44 29.981 -3.662 -3.174 1.00 41.22 O ATOM 626 CG2 THR A 44 32.312 -4.289 -3.250 1.00 32.35 C ATOM 0 H THR A 44 29.072 -4.049 -0.781 1.00 65.33 H new ATOM 0 HA THR A 44 30.973 -6.004 -1.840 1.00 51.22 H new ATOM 0 HB THR A 44 31.389 -3.015 -1.805 1.00 4.21 H new ATOM 0 HG1 THR A 44 30.182 -2.946 -3.812 1.00 41.22 H new ATOM 0 HG21 THR A 44 32.507 -3.481 -3.955 1.00 32.35 H new ATOM 0 HG22 THR A 44 33.195 -4.452 -2.632 1.00 32.35 H new ATOM 0 HG23 THR A 44 32.080 -5.201 -3.799 1.00 32.35 H new ATOM 634 N TRP A 45 32.648 -5.924 -0.017 1.00 2.23 N ATOM 635 CA TRP A 45 33.620 -5.932 1.071 1.00 64.14 C ATOM 636 C TRP A 45 34.982 -5.446 0.587 1.00 41.40 C ATOM 637 O TRP A 45 35.343 -5.637 -0.574 1.00 63.13 O ATOM 638 CB TRP A 45 33.747 -7.338 1.658 1.00 32.54 C ATOM 639 CG TRP A 45 33.992 -8.395 0.624 1.00 43.21 C ATOM 640 CD1 TRP A 45 33.072 -9.256 0.097 1.00 3.14 C ATOM 641 CD2 TRP A 45 35.240 -8.703 -0.007 1.00 40.53 C ATOM 642 NE1 TRP A 45 33.673 -10.080 -0.823 1.00 70.41 N ATOM 643 CE2 TRP A 45 35.002 -9.761 -0.906 1.00 43.44 C ATOM 644 CE3 TRP A 45 36.534 -8.186 0.098 1.00 62.13 C ATOM 645 CZ2 TRP A 45 36.012 -10.310 -1.692 1.00 74.14 C ATOM 646 CZ3 TRP A 45 37.535 -8.733 -0.683 1.00 11.22 C ATOM 647 CH2 TRP A 45 37.269 -9.785 -1.569 1.00 63.20 C ATOM 0 H TRP A 45 32.690 -6.741 -0.627 1.00 2.23 H new ATOM 0 HA TRP A 45 33.266 -5.252 1.846 1.00 64.14 H new ATOM 0 HB2 TRP A 45 34.564 -7.350 2.380 1.00 32.54 H new ATOM 0 HB3 TRP A 45 32.835 -7.579 2.204 1.00 32.54 H new ATOM 0 HD1 TRP A 45 32.026 -9.285 0.364 1.00 3.14 H new ATOM 0 HE1 TRP A 45 33.205 -10.811 -1.358 1.00 70.41 H new ATOM 0 HE3 TRP A 45 36.748 -7.374 0.777 1.00 62.13 H new ATOM 0 HZ2 TRP A 45 35.810 -11.122 -2.375 1.00 74.14 H new ATOM 0 HZ3 TRP A 45 38.539 -8.343 -0.609 1.00 11.22 H new ATOM 0 HH2 TRP A 45 38.072 -10.190 -2.167 1.00 63.20 H new ATOM 658 N ASP A 46 35.733 -4.816 1.484 1.00 63.32 N ATOM 659 CA ASP A 46 37.057 -4.303 1.148 1.00 34.51 C ATOM 660 C ASP A 46 38.000 -4.411 2.342 1.00 11.41 C ATOM 661 O ASP A 46 37.585 -4.249 3.490 1.00 43.02 O ATOM 662 CB ASP A 46 36.961 -2.848 0.687 1.00 61.43 C ATOM 663 CG ASP A 46 37.758 -2.588 -0.576 1.00 43.03 C ATOM 664 OD1 ASP A 46 37.803 -3.484 -1.444 1.00 70.15 O ATOM 665 OD2 ASP A 46 38.338 -1.488 -0.696 1.00 63.20 O ATOM 0 H ASP A 46 35.448 -4.648 2.449 1.00 63.32 H new ATOM 0 HA ASP A 46 37.459 -4.907 0.335 1.00 34.51 H new ATOM 0 HB2 ASP A 46 35.916 -2.593 0.513 1.00 61.43 H new ATOM 0 HB3 ASP A 46 37.320 -2.194 1.481 1.00 61.43 H new ATOM 670 N SER A 47 39.270 -4.685 2.063 1.00 22.15 N ATOM 671 CA SER A 47 40.272 -4.819 3.115 1.00 52.11 C ATOM 672 C SER A 47 41.482 -3.936 2.828 1.00 43.24 C ATOM 673 O SER A 47 41.813 -3.674 1.671 1.00 12.42 O ATOM 674 CB SER A 47 40.711 -6.278 3.247 1.00 30.44 C ATOM 675 OG SER A 47 41.614 -6.635 2.215 1.00 74.12 O ATOM 0 H SER A 47 39.630 -4.819 1.118 1.00 22.15 H new ATOM 0 HA SER A 47 39.823 -4.496 4.054 1.00 52.11 H new ATOM 0 HB2 SER A 47 41.183 -6.432 4.217 1.00 30.44 H new ATOM 0 HB3 SER A 47 39.837 -6.929 3.211 1.00 30.44 H new ATOM 0 HG SER A 47 41.634 -7.610 2.121 1.00 74.12 H new ATOM 681 N SER A 48 42.140 -3.480 3.889 1.00 14.02 N ATOM 682 CA SER A 48 43.311 -2.623 3.753 1.00 44.03 C ATOM 683 C SER A 48 44.331 -3.244 2.802 1.00 12.15 C ATOM 684 O SER A 48 44.208 -4.405 2.416 1.00 24.43 O ATOM 685 CB SER A 48 43.954 -2.380 5.120 1.00 53.12 C ATOM 686 OG SER A 48 43.841 -1.020 5.502 1.00 51.13 O ATOM 0 H SER A 48 41.881 -3.690 4.853 1.00 14.02 H new ATOM 0 HA SER A 48 42.986 -1.669 3.338 1.00 44.03 H new ATOM 0 HB2 SER A 48 43.475 -3.012 5.868 1.00 53.12 H new ATOM 0 HB3 SER A 48 45.005 -2.666 5.087 1.00 53.12 H new ATOM 0 HG SER A 48 42.935 -0.700 5.307 1.00 51.13 H new ATOM 692 N ASN A 49 45.337 -2.460 2.430 1.00 41.33 N ATOM 693 CA ASN A 49 46.379 -2.931 1.524 1.00 35.20 C ATOM 694 C ASN A 49 47.762 -2.739 2.139 1.00 73.44 C ATOM 695 O ASN A 49 48.523 -1.865 1.723 1.00 13.33 O ATOM 696 CB ASN A 49 46.295 -2.191 0.188 1.00 52.23 C ATOM 697 CG ASN A 49 47.074 -2.889 -0.910 1.00 30.20 C ATOM 698 OD1 ASN A 49 46.963 -4.102 -1.090 1.00 25.14 O ATOM 699 ND2 ASN A 49 47.868 -2.124 -1.650 1.00 73.24 N ATOM 0 H ASN A 49 45.453 -1.496 2.742 1.00 41.33 H new ATOM 0 HA ASN A 49 46.222 -3.996 1.352 1.00 35.20 H new ATOM 0 HB2 ASN A 49 45.250 -2.104 -0.111 1.00 52.23 H new ATOM 0 HB3 ASN A 49 46.677 -1.178 0.313 1.00 52.23 H new ATOM 0 HD21 ASN A 49 48.417 -2.538 -2.403 1.00 73.24 H new ATOM 0 HD22 ASN A 49 47.929 -1.123 -1.465 1.00 73.24 H new ATOM 706 N THR A 50 48.082 -3.564 3.131 1.00 11.02 N ATOM 707 CA THR A 50 49.372 -3.486 3.804 1.00 44.42 C ATOM 708 C THR A 50 50.294 -4.615 3.359 1.00 71.33 C ATOM 709 O THR A 50 51.242 -4.395 2.605 1.00 22.21 O ATOM 710 CB THR A 50 49.212 -3.542 5.335 1.00 43.12 C ATOM 711 OG1 THR A 50 47.920 -4.058 5.674 1.00 63.14 O ATOM 712 CG2 THR A 50 49.389 -2.161 5.949 1.00 63.35 C ATOM 0 H THR A 50 47.465 -4.294 3.486 1.00 11.02 H new ATOM 0 HA THR A 50 49.815 -2.529 3.527 1.00 44.42 H new ATOM 0 HB THR A 50 49.983 -4.201 5.735 1.00 43.12 H new ATOM 0 HG1 THR A 50 47.957 -5.037 5.707 1.00 63.14 H new ATOM 0 HG21 THR A 50 49.272 -2.226 7.031 1.00 63.35 H new ATOM 0 HG22 THR A 50 50.384 -1.783 5.714 1.00 63.35 H new ATOM 0 HG23 THR A 50 48.638 -1.483 5.543 1.00 63.35 H new ATOM 720 N ASP A 51 50.009 -5.825 3.829 1.00 50.33 N ATOM 721 CA ASP A 51 50.812 -6.990 3.477 1.00 32.32 C ATOM 722 C ASP A 51 49.959 -8.048 2.784 1.00 62.40 C ATOM 723 O ASP A 51 50.313 -8.540 1.712 1.00 23.20 O ATOM 724 CB ASP A 51 51.465 -7.582 4.727 1.00 33.23 C ATOM 725 CG ASP A 51 52.648 -8.471 4.397 1.00 74.00 C ATOM 726 OD1 ASP A 51 52.578 -9.200 3.385 1.00 21.33 O ATOM 727 OD2 ASP A 51 53.643 -8.437 5.150 1.00 43.24 O ATOM 0 H ASP A 51 49.228 -6.024 4.454 1.00 50.33 H new ATOM 0 HA ASP A 51 51.592 -6.668 2.787 1.00 32.32 H new ATOM 0 HB2 ASP A 51 51.793 -6.773 5.380 1.00 33.23 H new ATOM 0 HB3 ASP A 51 50.725 -8.159 5.282 1.00 33.23 H new ATOM 732 N ILE A 52 48.836 -8.394 3.403 1.00 33.53 N ATOM 733 CA ILE A 52 47.933 -9.394 2.846 1.00 63.15 C ATOM 734 C ILE A 52 46.596 -9.398 3.579 1.00 42.33 C ATOM 735 O ILE A 52 46.544 -9.568 4.798 1.00 64.45 O ATOM 736 CB ILE A 52 48.546 -10.805 2.912 1.00 62.41 C ATOM 737 CG1 ILE A 52 47.565 -11.838 2.354 1.00 34.24 C ATOM 738 CG2 ILE A 52 48.929 -11.150 4.343 1.00 4.45 C ATOM 739 CD1 ILE A 52 48.239 -13.069 1.789 1.00 55.42 C ATOM 0 H ILE A 52 48.529 -7.997 4.291 1.00 33.53 H new ATOM 0 HA ILE A 52 47.771 -9.125 1.802 1.00 63.15 H new ATOM 0 HB ILE A 52 49.448 -10.821 2.301 1.00 62.41 H new ATOM 0 HG12 ILE A 52 46.879 -12.140 3.146 1.00 34.24 H new ATOM 0 HG13 ILE A 52 46.965 -11.372 1.573 1.00 34.24 H new ATOM 0 HG21 ILE A 52 49.361 -12.150 4.373 1.00 4.45 H new ATOM 0 HG22 ILE A 52 49.660 -10.428 4.708 1.00 4.45 H new ATOM 0 HG23 ILE A 52 48.041 -11.119 4.975 1.00 4.45 H new ATOM 0 HD11 ILE A 52 47.483 -13.757 1.412 1.00 55.42 H new ATOM 0 HD12 ILE A 52 48.904 -12.779 0.975 1.00 55.42 H new ATOM 0 HD13 ILE A 52 48.817 -13.559 2.572 1.00 55.42 H new ATOM 751 N LEU A 53 45.516 -9.210 2.829 1.00 41.14 N ATOM 752 CA LEU A 53 44.177 -9.193 3.406 1.00 33.44 C ATOM 753 C LEU A 53 43.160 -9.794 2.441 1.00 32.44 C ATOM 754 O LEU A 53 43.072 -9.387 1.283 1.00 3.01 O ATOM 755 CB LEU A 53 43.772 -7.762 3.765 1.00 24.44 C ATOM 756 CG LEU A 53 44.506 -7.135 4.951 1.00 20.13 C ATOM 757 CD1 LEU A 53 45.437 -6.030 4.479 1.00 43.43 C ATOM 758 CD2 LEU A 53 43.511 -6.598 5.970 1.00 4.10 C ATOM 0 H LEU A 53 45.542 -9.067 1.819 1.00 41.14 H new ATOM 0 HA LEU A 53 44.192 -9.798 4.313 1.00 33.44 H new ATOM 0 HB2 LEU A 53 43.930 -7.131 2.891 1.00 24.44 H new ATOM 0 HB3 LEU A 53 42.703 -7.751 3.978 1.00 24.44 H new ATOM 0 HG LEU A 53 45.107 -7.907 5.431 1.00 20.13 H new ATOM 0 HD11 LEU A 53 45.950 -5.596 5.337 1.00 43.43 H new ATOM 0 HD12 LEU A 53 46.171 -6.443 3.788 1.00 43.43 H new ATOM 0 HD13 LEU A 53 44.858 -5.257 3.974 1.00 43.43 H new ATOM 0 HD21 LEU A 53 44.051 -6.155 6.807 1.00 4.10 H new ATOM 0 HD22 LEU A 53 42.884 -5.840 5.501 1.00 4.10 H new ATOM 0 HD23 LEU A 53 42.885 -7.414 6.332 1.00 4.10 H new ATOM 770 N SER A 54 42.392 -10.764 2.927 1.00 34.14 N ATOM 771 CA SER A 54 41.381 -11.422 2.108 1.00 63.54 C ATOM 772 C SER A 54 40.090 -11.623 2.894 1.00 34.23 C ATOM 773 O SER A 54 40.088 -12.242 3.959 1.00 45.11 O ATOM 774 CB SER A 54 41.901 -12.771 1.606 1.00 70.13 C ATOM 775 OG SER A 54 42.212 -12.716 0.224 1.00 4.44 O ATOM 0 H SER A 54 42.451 -11.112 3.884 1.00 34.14 H new ATOM 0 HA SER A 54 41.168 -10.781 1.253 1.00 63.54 H new ATOM 0 HB2 SER A 54 42.789 -13.055 2.171 1.00 70.13 H new ATOM 0 HB3 SER A 54 41.151 -13.542 1.783 1.00 70.13 H new ATOM 0 HG SER A 54 42.544 -13.589 -0.072 1.00 4.44 H new ATOM 781 N ILE A 55 38.992 -11.096 2.362 1.00 3.21 N ATOM 782 CA ILE A 55 37.694 -11.217 3.013 1.00 32.50 C ATOM 783 C ILE A 55 36.719 -12.012 2.151 1.00 51.03 C ATOM 784 O ILE A 55 36.518 -11.702 0.976 1.00 25.43 O ATOM 785 CB ILE A 55 37.085 -9.836 3.317 1.00 53.02 C ATOM 786 CG1 ILE A 55 38.121 -8.934 3.991 1.00 60.51 C ATOM 787 CG2 ILE A 55 35.851 -9.983 4.195 1.00 50.41 C ATOM 788 CD1 ILE A 55 37.595 -7.557 4.330 1.00 72.42 C ATOM 0 H ILE A 55 38.976 -10.581 1.482 1.00 3.21 H new ATOM 0 HA ILE A 55 37.860 -11.746 3.952 1.00 32.50 H new ATOM 0 HB ILE A 55 36.785 -9.373 2.377 1.00 53.02 H new ATOM 0 HG12 ILE A 55 38.470 -9.415 4.904 1.00 60.51 H new ATOM 0 HG13 ILE A 55 38.985 -8.832 3.334 1.00 60.51 H new ATOM 0 HG21 ILE A 55 35.432 -8.998 4.401 1.00 50.41 H new ATOM 0 HG22 ILE A 55 35.109 -10.593 3.680 1.00 50.41 H new ATOM 0 HG23 ILE A 55 36.127 -10.463 5.134 1.00 50.41 H new ATOM 0 HD11 ILE A 55 38.383 -6.973 4.805 1.00 72.42 H new ATOM 0 HD12 ILE A 55 37.272 -7.056 3.417 1.00 72.42 H new ATOM 0 HD13 ILE A 55 36.750 -7.648 5.012 1.00 72.42 H new ATOM 800 N SER A 56 36.114 -13.037 2.742 1.00 13.13 N ATOM 801 CA SER A 56 35.160 -13.878 2.028 1.00 44.22 C ATOM 802 C SER A 56 33.828 -13.938 2.768 1.00 13.01 C ATOM 803 O SER A 56 33.733 -14.512 3.852 1.00 52.10 O ATOM 804 CB SER A 56 35.724 -15.289 1.853 1.00 30.33 C ATOM 805 OG SER A 56 36.916 -15.271 1.088 1.00 64.31 O ATOM 0 H SER A 56 36.267 -13.305 3.714 1.00 13.13 H new ATOM 0 HA SER A 56 34.989 -13.438 1.045 1.00 44.22 H new ATOM 0 HB2 SER A 56 35.922 -15.728 2.831 1.00 30.33 H new ATOM 0 HB3 SER A 56 34.984 -15.922 1.363 1.00 30.33 H new ATOM 0 HG SER A 56 37.257 -16.185 0.992 1.00 64.31 H new ATOM 811 N ASN A 57 32.800 -13.340 2.173 1.00 22.44 N ATOM 812 CA ASN A 57 31.472 -13.325 2.776 1.00 40.23 C ATOM 813 C ASN A 57 30.863 -14.724 2.787 1.00 42.34 C ATOM 814 O ASN A 57 31.100 -15.522 1.880 1.00 11.32 O ATOM 815 CB ASN A 57 30.556 -12.364 2.016 1.00 51.43 C ATOM 816 CG ASN A 57 30.658 -12.535 0.512 1.00 13.03 C ATOM 817 OD1 ASN A 57 31.252 -11.708 -0.179 1.00 43.10 O ATOM 818 ND2 ASN A 57 30.076 -13.613 -0.001 1.00 13.41 N ATOM 0 H ASN A 57 32.861 -12.860 1.275 1.00 22.44 H new ATOM 0 HA ASN A 57 31.572 -12.984 3.806 1.00 40.23 H new ATOM 0 HB2 ASN A 57 29.524 -12.526 2.328 1.00 51.43 H new ATOM 0 HB3 ASN A 57 30.811 -11.338 2.280 1.00 51.43 H new ATOM 0 HD21 ASN A 57 30.111 -13.782 -1.006 1.00 13.41 H new ATOM 0 HD22 ASN A 57 29.594 -14.272 0.610 1.00 13.41 H new ATOM 825 N ALA A 58 30.077 -15.013 3.819 1.00 65.14 N ATOM 826 CA ALA A 58 29.432 -16.314 3.946 1.00 4.15 C ATOM 827 C ALA A 58 28.129 -16.360 3.156 1.00 21.41 C ATOM 828 O ALA A 58 27.760 -15.392 2.492 1.00 14.24 O ATOM 829 CB ALA A 58 29.175 -16.634 5.412 1.00 42.34 C ATOM 0 H ALA A 58 29.872 -14.364 4.579 1.00 65.14 H new ATOM 0 HA ALA A 58 30.103 -17.067 3.533 1.00 4.15 H new ATOM 0 HB1 ALA A 58 28.693 -17.608 5.493 1.00 42.34 H new ATOM 0 HB2 ALA A 58 30.122 -16.652 5.952 1.00 42.34 H new ATOM 0 HB3 ALA A 58 28.526 -15.871 5.843 1.00 42.34 H new ATOM 835 N SER A 59 27.437 -17.493 3.231 1.00 11.33 N ATOM 836 CA SER A 59 26.177 -17.667 2.519 1.00 55.21 C ATOM 837 C SER A 59 25.159 -16.615 2.950 1.00 10.10 C ATOM 838 O SER A 59 24.207 -16.323 2.226 1.00 33.23 O ATOM 839 CB SER A 59 25.615 -19.068 2.768 1.00 61.03 C ATOM 840 OG SER A 59 25.373 -19.745 1.546 1.00 3.14 O ATOM 0 H SER A 59 27.728 -18.303 3.778 1.00 11.33 H new ATOM 0 HA SER A 59 26.371 -17.545 1.453 1.00 55.21 H new ATOM 0 HB2 SER A 59 26.317 -19.642 3.373 1.00 61.03 H new ATOM 0 HB3 SER A 59 24.688 -18.996 3.337 1.00 61.03 H new ATOM 0 HG SER A 59 25.016 -20.638 1.732 1.00 3.14 H new ATOM 846 N ASP A 60 25.368 -16.049 4.134 1.00 71.33 N ATOM 847 CA ASP A 60 24.470 -15.029 4.662 1.00 4.25 C ATOM 848 C ASP A 60 25.224 -13.731 4.937 1.00 64.33 C ATOM 849 O ASP A 60 26.365 -13.562 4.506 1.00 1.33 O ATOM 850 CB ASP A 60 23.799 -15.524 5.945 1.00 65.04 C ATOM 851 CG ASP A 60 22.338 -15.129 6.023 1.00 11.00 C ATOM 852 OD1 ASP A 60 22.040 -13.924 5.884 1.00 4.23 O ATOM 853 OD2 ASP A 60 21.491 -16.025 6.222 1.00 5.03 O ATOM 0 H ASP A 60 26.151 -16.279 4.746 1.00 71.33 H new ATOM 0 HA ASP A 60 23.703 -14.832 3.913 1.00 4.25 H new ATOM 0 HB2 ASP A 60 23.882 -16.609 6.000 1.00 65.04 H new ATOM 0 HB3 ASP A 60 24.328 -15.120 6.808 1.00 65.04 H new ATOM 858 N SER A 61 24.579 -12.818 5.655 1.00 54.12 N ATOM 859 CA SER A 61 25.186 -11.533 5.982 1.00 22.43 C ATOM 860 C SER A 61 26.576 -11.727 6.581 1.00 1.30 C ATOM 861 O SER A 61 27.584 -11.378 5.965 1.00 20.42 O ATOM 862 CB SER A 61 24.300 -10.761 6.961 1.00 12.20 C ATOM 863 OG SER A 61 25.082 -10.034 7.893 1.00 51.13 O ATOM 0 H SER A 61 23.636 -12.944 6.022 1.00 54.12 H new ATOM 0 HA SER A 61 25.282 -10.959 5.060 1.00 22.43 H new ATOM 0 HB2 SER A 61 23.655 -10.076 6.410 1.00 12.20 H new ATOM 0 HB3 SER A 61 23.648 -11.455 7.492 1.00 12.20 H new ATOM 0 HG SER A 61 25.124 -10.526 8.739 1.00 51.13 H new ATOM 869 N HIS A 62 26.622 -12.285 7.787 1.00 52.23 N ATOM 870 CA HIS A 62 27.888 -12.526 8.470 1.00 14.31 C ATOM 871 C HIS A 62 28.861 -13.272 7.563 1.00 43.10 C ATOM 872 O HIS A 62 28.492 -14.245 6.907 1.00 45.24 O ATOM 873 CB HIS A 62 27.655 -13.323 9.754 1.00 72.34 C ATOM 874 CG HIS A 62 27.367 -14.773 9.514 1.00 71.43 C ATOM 875 ND1 HIS A 62 26.179 -15.227 8.980 1.00 11.40 N ATOM 876 CD2 HIS A 62 28.122 -15.875 9.736 1.00 11.53 C ATOM 877 CE1 HIS A 62 26.215 -16.544 8.886 1.00 0.14 C ATOM 878 NE2 HIS A 62 27.384 -16.962 9.338 1.00 14.14 N ATOM 0 H HIS A 62 25.798 -12.579 8.311 1.00 52.23 H new ATOM 0 HA HIS A 62 28.325 -11.560 8.725 1.00 14.31 H new ATOM 0 HB2 HIS A 62 28.535 -13.236 10.391 1.00 72.34 H new ATOM 0 HB3 HIS A 62 26.822 -12.881 10.300 1.00 72.34 H new ATOM 0 HD2 HIS A 62 29.120 -15.895 10.149 1.00 11.53 H new ATOM 0 HE1 HIS A 62 25.424 -17.172 8.505 1.00 0.14 H new ATOM 0 HE2 HIS A 62 27.689 -17.934 9.384 1.00 14.14 H new ATOM 886 N GLY A 63 30.107 -12.808 7.531 1.00 21.10 N ATOM 887 CA GLY A 63 31.114 -13.443 6.701 1.00 51.24 C ATOM 888 C GLY A 63 32.372 -13.783 7.474 1.00 65.53 C ATOM 889 O GLY A 63 32.319 -14.486 8.484 1.00 74.32 O ATOM 0 H GLY A 63 30.437 -12.004 8.065 1.00 21.10 H new ATOM 0 HA2 GLY A 63 30.701 -14.353 6.267 1.00 51.24 H new ATOM 0 HA3 GLY A 63 31.368 -12.781 5.873 1.00 51.24 H new ATOM 893 N LEU A 64 33.509 -13.286 6.999 1.00 62.41 N ATOM 894 CA LEU A 64 34.788 -13.543 7.652 1.00 63.35 C ATOM 895 C LEU A 64 35.921 -12.813 6.937 1.00 72.35 C ATOM 896 O LEU A 64 36.193 -13.067 5.764 1.00 64.43 O ATOM 897 CB LEU A 64 35.074 -15.046 7.683 1.00 5.41 C ATOM 898 CG LEU A 64 34.957 -15.779 6.347 1.00 63.43 C ATOM 899 CD1 LEU A 64 35.981 -16.901 6.262 1.00 31.00 C ATOM 900 CD2 LEU A 64 33.549 -16.325 6.159 1.00 0.15 C ATOM 0 H LEU A 64 33.571 -12.703 6.164 1.00 62.41 H new ATOM 0 HA LEU A 64 34.728 -13.169 8.674 1.00 63.35 H new ATOM 0 HB2 LEU A 64 36.082 -15.196 8.070 1.00 5.41 H new ATOM 0 HB3 LEU A 64 34.388 -15.511 8.391 1.00 5.41 H new ATOM 0 HG LEU A 64 35.159 -15.068 5.546 1.00 63.43 H new ATOM 0 HD11 LEU A 64 35.883 -17.412 5.304 1.00 31.00 H new ATOM 0 HD12 LEU A 64 36.985 -16.485 6.350 1.00 31.00 H new ATOM 0 HD13 LEU A 64 35.810 -17.611 7.071 1.00 31.00 H new ATOM 0 HD21 LEU A 64 33.485 -16.844 5.202 1.00 0.15 H new ATOM 0 HD22 LEU A 64 33.318 -17.021 6.965 1.00 0.15 H new ATOM 0 HD23 LEU A 64 32.835 -15.502 6.174 1.00 0.15 H new ATOM 912 N ALA A 65 36.578 -11.907 7.652 1.00 3.31 N ATOM 913 CA ALA A 65 37.684 -11.143 7.087 1.00 20.15 C ATOM 914 C ALA A 65 39.013 -11.561 7.707 1.00 30.24 C ATOM 915 O ALA A 65 39.250 -11.344 8.896 1.00 44.35 O ATOM 916 CB ALA A 65 37.452 -9.653 7.287 1.00 42.42 C ATOM 0 H ALA A 65 36.364 -11.684 8.624 1.00 3.31 H new ATOM 0 HA ALA A 65 37.730 -11.353 6.018 1.00 20.15 H new ATOM 0 HB1 ALA A 65 38.285 -9.095 6.861 1.00 42.42 H new ATOM 0 HB2 ALA A 65 36.527 -9.359 6.791 1.00 42.42 H new ATOM 0 HB3 ALA A 65 37.378 -9.436 8.353 1.00 42.42 H new ATOM 922 N SER A 66 39.876 -12.163 6.895 1.00 22.14 N ATOM 923 CA SER A 66 41.180 -12.616 7.366 1.00 60.02 C ATOM 924 C SER A 66 42.273 -11.628 6.970 1.00 24.15 C ATOM 925 O SER A 66 42.241 -11.049 5.884 1.00 14.53 O ATOM 926 CB SER A 66 41.498 -14.000 6.798 1.00 60.54 C ATOM 927 OG SER A 66 41.924 -14.886 7.819 1.00 13.52 O ATOM 0 H SER A 66 39.696 -12.348 5.908 1.00 22.14 H new ATOM 0 HA SER A 66 41.145 -12.677 8.454 1.00 60.02 H new ATOM 0 HB2 SER A 66 40.614 -14.406 6.306 1.00 60.54 H new ATOM 0 HB3 SER A 66 42.275 -13.915 6.039 1.00 60.54 H new ATOM 0 HG SER A 66 42.119 -15.764 7.430 1.00 13.52 H new ATOM 933 N THR A 67 43.243 -11.440 7.861 1.00 72.53 N ATOM 934 CA THR A 67 44.346 -10.523 7.607 1.00 1.41 C ATOM 935 C THR A 67 45.628 -11.005 8.277 1.00 15.34 C ATOM 936 O THR A 67 45.648 -11.275 9.479 1.00 70.30 O ATOM 937 CB THR A 67 44.022 -9.102 8.107 1.00 35.33 C ATOM 938 OG1 THR A 67 45.182 -8.270 8.006 1.00 24.13 O ATOM 939 CG2 THR A 67 43.538 -9.134 9.549 1.00 13.22 C ATOM 0 H THR A 67 43.286 -11.911 8.765 1.00 72.53 H new ATOM 0 HA THR A 67 44.492 -10.496 6.527 1.00 1.41 H new ATOM 0 HB THR A 67 43.228 -8.693 7.482 1.00 35.33 H new ATOM 0 HG1 THR A 67 45.754 -8.594 7.279 1.00 24.13 H new ATOM 0 HG21 THR A 67 43.315 -8.120 9.881 1.00 13.22 H new ATOM 0 HG22 THR A 67 42.637 -9.744 9.617 1.00 13.22 H new ATOM 0 HG23 THR A 67 44.314 -9.561 10.184 1.00 13.22 H new ATOM 947 N LEU A 68 46.696 -11.110 7.495 1.00 54.43 N ATOM 948 CA LEU A 68 47.983 -11.559 8.013 1.00 1.32 C ATOM 949 C LEU A 68 49.087 -10.565 7.665 1.00 31.20 C ATOM 950 O LEU A 68 50.062 -10.914 7.002 1.00 44.25 O ATOM 951 CB LEU A 68 48.328 -12.939 7.452 1.00 71.14 C ATOM 952 CG LEU A 68 49.329 -13.763 8.262 1.00 4.42 C ATOM 953 CD1 LEU A 68 48.848 -15.198 8.407 1.00 55.25 C ATOM 954 CD2 LEU A 68 50.704 -13.723 7.611 1.00 50.55 C ATOM 0 H LEU A 68 46.696 -10.890 6.499 1.00 54.43 H new ATOM 0 HA LEU A 68 47.907 -11.624 9.098 1.00 1.32 H new ATOM 0 HB2 LEU A 68 47.406 -13.513 7.361 1.00 71.14 H new ATOM 0 HB3 LEU A 68 48.725 -12.811 6.445 1.00 71.14 H new ATOM 0 HG LEU A 68 49.407 -13.326 9.257 1.00 4.42 H new ATOM 0 HD11 LEU A 68 49.574 -15.768 8.986 1.00 55.25 H new ATOM 0 HD12 LEU A 68 47.886 -15.209 8.919 1.00 55.25 H new ATOM 0 HD13 LEU A 68 48.739 -15.647 7.420 1.00 55.25 H new ATOM 0 HD21 LEU A 68 51.403 -14.315 8.201 1.00 50.55 H new ATOM 0 HD22 LEU A 68 50.642 -14.134 6.603 1.00 50.55 H new ATOM 0 HD23 LEU A 68 51.053 -12.692 7.561 1.00 50.55 H new ATOM 966 N ASN A 69 48.926 -9.327 8.120 1.00 42.35 N ATOM 967 CA ASN A 69 49.910 -8.283 7.857 1.00 1.44 C ATOM 968 C ASN A 69 50.551 -7.801 9.155 1.00 12.45 C ATOM 969 O ASN A 69 50.138 -8.195 10.246 1.00 64.32 O ATOM 970 CB ASN A 69 49.255 -7.106 7.131 1.00 11.04 C ATOM 971 CG ASN A 69 48.527 -6.174 8.081 1.00 50.24 C ATOM 972 OD1 ASN A 69 48.974 -5.055 8.334 1.00 54.24 O ATOM 973 ND2 ASN A 69 47.399 -6.633 8.611 1.00 4.54 N ATOM 0 H ASN A 69 48.124 -9.022 8.672 1.00 42.35 H new ATOM 0 HA ASN A 69 50.689 -8.705 7.222 1.00 1.44 H new ATOM 0 HB2 ASN A 69 50.018 -6.546 6.590 1.00 11.04 H new ATOM 0 HB3 ASN A 69 48.552 -7.486 6.389 1.00 11.04 H new ATOM 0 HD21 ASN A 69 46.865 -6.051 9.257 1.00 4.54 H new ATOM 0 HD22 ASN A 69 47.067 -7.567 8.372 1.00 4.54 H new ATOM 980 N GLN A 70 51.560 -6.945 9.029 1.00 62.32 N ATOM 981 CA GLN A 70 52.257 -6.410 10.192 1.00 5.30 C ATOM 982 C GLN A 70 51.994 -4.915 10.345 1.00 75.44 C ATOM 983 O GLN A 70 52.790 -4.086 9.906 1.00 74.30 O ATOM 984 CB GLN A 70 53.761 -6.665 10.074 1.00 41.44 C ATOM 985 CG GLN A 70 54.131 -8.139 10.086 1.00 21.01 C ATOM 986 CD GLN A 70 55.485 -8.406 9.458 1.00 32.44 C ATOM 987 OE1 GLN A 70 55.585 -9.091 8.440 1.00 44.01 O ATOM 988 NE2 GLN A 70 56.536 -7.866 10.064 1.00 33.02 N ATOM 0 H GLN A 70 51.913 -6.607 8.133 1.00 62.32 H new ATOM 0 HA GLN A 70 51.877 -6.920 11.077 1.00 5.30 H new ATOM 0 HB2 GLN A 70 54.126 -6.215 9.151 1.00 41.44 H new ATOM 0 HB3 GLN A 70 54.272 -6.164 10.896 1.00 41.44 H new ATOM 0 HG2 GLN A 70 54.134 -8.501 11.114 1.00 21.01 H new ATOM 0 HG3 GLN A 70 53.369 -8.705 9.551 1.00 21.01 H new ATOM 0 HE21 GLN A 70 56.407 -7.305 10.906 1.00 33.02 H new ATOM 0 HE22 GLN A 70 57.473 -8.012 9.687 1.00 33.02 H new ATOM 997 N GLY A 71 50.869 -4.579 10.970 1.00 43.43 N ATOM 998 CA GLY A 71 50.520 -3.184 11.168 1.00 22.15 C ATOM 999 C GLY A 71 49.059 -2.997 11.525 1.00 32.40 C ATOM 1000 O GLY A 71 48.551 -3.637 12.445 1.00 2.54 O ATOM 0 H GLY A 71 50.194 -5.247 11.342 1.00 43.43 H new ATOM 0 HA2 GLY A 71 51.141 -2.766 11.961 1.00 22.15 H new ATOM 0 HA3 GLY A 71 50.743 -2.624 10.260 1.00 22.15 H new ATOM 1004 N ASN A 72 48.381 -2.117 10.795 1.00 20.32 N ATOM 1005 CA ASN A 72 46.969 -1.846 11.041 1.00 22.42 C ATOM 1006 C ASN A 72 46.171 -1.897 9.742 1.00 43.32 C ATOM 1007 O ASN A 72 46.516 -1.234 8.763 1.00 15.01 O ATOM 1008 CB ASN A 72 46.799 -0.478 11.705 1.00 61.33 C ATOM 1009 CG ASN A 72 47.060 0.666 10.745 1.00 41.33 C ATOM 1010 OD1 ASN A 72 48.201 0.917 10.355 1.00 32.51 O ATOM 1011 ND2 ASN A 72 46.001 1.368 10.359 1.00 73.12 N ATOM 0 H ASN A 72 48.786 -1.580 10.029 1.00 20.32 H new ATOM 0 HA ASN A 72 46.588 -2.617 11.711 1.00 22.42 H new ATOM 0 HB2 ASN A 72 45.787 -0.393 12.101 1.00 61.33 H new ATOM 0 HB3 ASN A 72 47.481 -0.401 12.552 1.00 61.33 H new ATOM 0 HD21 ASN A 72 46.115 2.150 9.714 1.00 73.12 H new ATOM 0 HD22 ASN A 72 45.074 1.125 10.707 1.00 73.12 H new ATOM 1018 N VAL A 73 45.103 -2.687 9.740 1.00 34.32 N ATOM 1019 CA VAL A 73 44.254 -2.823 8.562 1.00 21.34 C ATOM 1020 C VAL A 73 42.816 -2.422 8.872 1.00 61.42 C ATOM 1021 O VAL A 73 42.281 -2.756 9.929 1.00 15.42 O ATOM 1022 CB VAL A 73 44.269 -4.266 8.024 1.00 74.23 C ATOM 1023 CG1 VAL A 73 45.582 -4.558 7.313 1.00 14.05 C ATOM 1024 CG2 VAL A 73 44.032 -5.258 9.152 1.00 35.24 C ATOM 0 H VAL A 73 44.804 -3.243 10.541 1.00 34.32 H new ATOM 0 HA VAL A 73 44.658 -2.155 7.801 1.00 21.34 H new ATOM 0 HB VAL A 73 43.461 -4.373 7.301 1.00 74.23 H new ATOM 0 HG11 VAL A 73 45.574 -5.582 6.940 1.00 14.05 H new ATOM 0 HG12 VAL A 73 45.705 -3.868 6.478 1.00 14.05 H new ATOM 0 HG13 VAL A 73 46.410 -4.433 8.011 1.00 14.05 H new ATOM 0 HG21 VAL A 73 44.046 -6.272 8.753 1.00 35.24 H new ATOM 0 HG22 VAL A 73 44.817 -5.152 9.901 1.00 35.24 H new ATOM 0 HG23 VAL A 73 43.063 -5.062 9.611 1.00 35.24 H new ATOM 1034 N LYS A 74 42.195 -1.705 7.942 1.00 74.10 N ATOM 1035 CA LYS A 74 40.817 -1.259 8.113 1.00 70.11 C ATOM 1036 C LYS A 74 39.912 -1.868 7.046 1.00 12.55 C ATOM 1037 O LYS A 74 40.195 -1.776 5.852 1.00 54.22 O ATOM 1038 CB LYS A 74 40.742 0.268 8.050 1.00 41.13 C ATOM 1039 CG LYS A 74 40.032 0.892 9.238 1.00 33.04 C ATOM 1040 CD LYS A 74 38.557 1.121 8.950 1.00 65.41 C ATOM 1041 CE LYS A 74 37.765 1.329 10.231 1.00 35.31 C ATOM 1042 NZ LYS A 74 37.559 2.773 10.528 1.00 43.51 N ATOM 0 H LYS A 74 42.624 -1.420 7.062 1.00 74.10 H new ATOM 0 HA LYS A 74 40.472 -1.593 9.091 1.00 70.11 H new ATOM 0 HB2 LYS A 74 41.753 0.671 7.989 1.00 41.13 H new ATOM 0 HB3 LYS A 74 40.227 0.561 7.135 1.00 41.13 H new ATOM 0 HG2 LYS A 74 40.137 0.243 10.108 1.00 33.04 H new ATOM 0 HG3 LYS A 74 40.506 1.841 9.489 1.00 33.04 H new ATOM 0 HD2 LYS A 74 38.442 1.992 8.305 1.00 65.41 H new ATOM 0 HD3 LYS A 74 38.154 0.266 8.407 1.00 65.41 H new ATOM 0 HE2 LYS A 74 36.797 0.835 10.144 1.00 35.31 H new ATOM 0 HE3 LYS A 74 38.290 0.859 11.063 1.00 35.31 H new ATOM 0 HZ1 LYS A 74 37.015 2.872 11.409 1.00 43.51 H new ATOM 0 HZ2 LYS A 74 38.482 3.240 10.636 1.00 43.51 H new ATOM 0 HZ3 LYS A 74 37.036 3.217 9.746 1.00 43.51 H new ATOM 1056 N VAL A 75 38.821 -2.488 7.486 1.00 43.11 N ATOM 1057 CA VAL A 75 37.873 -3.109 6.569 1.00 42.02 C ATOM 1058 C VAL A 75 36.781 -2.127 6.159 1.00 30.34 C ATOM 1059 O VAL A 75 36.074 -1.578 7.006 1.00 63.34 O ATOM 1060 CB VAL A 75 37.220 -4.355 7.196 1.00 52.12 C ATOM 1061 CG1 VAL A 75 36.196 -4.957 6.245 1.00 10.43 C ATOM 1062 CG2 VAL A 75 38.279 -5.380 7.570 1.00 23.30 C ATOM 0 H VAL A 75 38.572 -2.573 8.472 1.00 43.11 H new ATOM 0 HA VAL A 75 38.437 -3.409 5.686 1.00 42.02 H new ATOM 0 HB VAL A 75 36.702 -4.053 8.106 1.00 52.12 H new ATOM 0 HG11 VAL A 75 35.745 -5.836 6.705 1.00 10.43 H new ATOM 0 HG12 VAL A 75 35.421 -4.221 6.032 1.00 10.43 H new ATOM 0 HG13 VAL A 75 36.688 -5.245 5.316 1.00 10.43 H new ATOM 0 HG21 VAL A 75 37.800 -6.254 8.012 1.00 23.30 H new ATOM 0 HG22 VAL A 75 38.827 -5.679 6.677 1.00 23.30 H new ATOM 0 HG23 VAL A 75 38.970 -4.943 8.290 1.00 23.30 H new ATOM 1072 N THR A 76 36.647 -1.910 4.855 1.00 74.03 N ATOM 1073 CA THR A 76 35.641 -0.994 4.332 1.00 32.00 C ATOM 1074 C THR A 76 34.556 -1.746 3.570 1.00 54.32 C ATOM 1075 O THR A 76 34.844 -2.490 2.634 1.00 61.54 O ATOM 1076 CB THR A 76 36.270 0.060 3.401 1.00 21.50 C ATOM 1077 OG1 THR A 76 37.611 0.343 3.817 1.00 72.50 O ATOM 1078 CG2 THR A 76 35.452 1.342 3.403 1.00 34.25 C ATOM 0 H THR A 76 37.223 -2.356 4.141 1.00 74.03 H new ATOM 0 HA THR A 76 35.196 -0.490 5.190 1.00 32.00 H new ATOM 0 HB THR A 76 36.281 -0.343 2.388 1.00 21.50 H new ATOM 0 HG1 THR A 76 38.005 1.013 3.219 1.00 72.50 H new ATOM 0 HG21 THR A 76 35.916 2.071 2.738 1.00 34.25 H new ATOM 0 HG22 THR A 76 34.440 1.129 3.058 1.00 34.25 H new ATOM 0 HG23 THR A 76 35.412 1.747 4.414 1.00 34.25 H new ATOM 1086 N ALA A 77 33.306 -1.545 3.976 1.00 24.25 N ATOM 1087 CA ALA A 77 32.178 -2.202 3.329 1.00 34.35 C ATOM 1088 C ALA A 77 30.936 -1.317 3.360 1.00 60.50 C ATOM 1089 O ALA A 77 30.591 -0.751 4.397 1.00 44.21 O ATOM 1090 CB ALA A 77 31.892 -3.539 3.997 1.00 33.31 C ATOM 0 H ALA A 77 33.050 -0.932 4.750 1.00 24.25 H new ATOM 0 HA ALA A 77 32.441 -2.378 2.286 1.00 34.35 H new ATOM 0 HB1 ALA A 77 31.047 -4.019 3.503 1.00 33.31 H new ATOM 0 HB2 ALA A 77 32.770 -4.180 3.918 1.00 33.31 H new ATOM 0 HB3 ALA A 77 31.654 -3.377 5.048 1.00 33.31 H new ATOM 1096 N SER A 78 30.268 -1.203 2.216 1.00 4.23 N ATOM 1097 CA SER A 78 29.067 -0.383 2.111 1.00 2.23 C ATOM 1098 C SER A 78 28.101 -0.964 1.084 1.00 72.12 C ATOM 1099 O SER A 78 28.514 -1.437 0.025 1.00 64.02 O ATOM 1100 CB SER A 78 29.435 1.052 1.728 1.00 64.34 C ATOM 1101 OG SER A 78 29.980 1.752 2.833 1.00 73.40 O ATOM 0 H SER A 78 30.538 -1.668 1.349 1.00 4.23 H new ATOM 0 HA SER A 78 28.575 -0.377 3.084 1.00 2.23 H new ATOM 0 HB2 SER A 78 30.156 1.040 0.910 1.00 64.34 H new ATOM 0 HB3 SER A 78 28.549 1.573 1.365 1.00 64.34 H new ATOM 0 HG SER A 78 30.193 1.118 3.549 1.00 73.40 H new ATOM 1107 N ILE A 79 26.812 -0.925 1.405 1.00 40.12 N ATOM 1108 CA ILE A 79 25.786 -1.446 0.510 1.00 23.30 C ATOM 1109 C ILE A 79 24.594 -0.499 0.430 1.00 73.32 C ATOM 1110 O ILE A 79 24.065 -0.063 1.451 1.00 54.40 O ATOM 1111 CB ILE A 79 25.296 -2.834 0.964 1.00 51.02 C ATOM 1112 CG1 ILE A 79 24.095 -3.274 0.124 1.00 33.14 C ATOM 1113 CG2 ILE A 79 24.936 -2.811 2.442 1.00 64.41 C ATOM 1114 CD1 ILE A 79 22.761 -2.952 0.762 1.00 24.02 C ATOM 0 H ILE A 79 26.453 -0.538 2.278 1.00 40.12 H new ATOM 0 HA ILE A 79 26.242 -1.535 -0.476 1.00 23.30 H new ATOM 0 HB ILE A 79 26.101 -3.554 0.818 1.00 51.02 H new ATOM 0 HG12 ILE A 79 24.148 -2.791 -0.852 1.00 33.14 H new ATOM 0 HG13 ILE A 79 24.156 -4.349 -0.048 1.00 33.14 H new ATOM 0 HG21 ILE A 79 24.591 -3.799 2.748 1.00 64.41 H new ATOM 0 HG22 ILE A 79 25.814 -2.536 3.026 1.00 64.41 H new ATOM 0 HG23 ILE A 79 24.144 -2.082 2.612 1.00 64.41 H new ATOM 0 HD11 ILE A 79 21.955 -3.292 0.112 1.00 24.02 H new ATOM 0 HD12 ILE A 79 22.687 -3.457 1.725 1.00 24.02 H new ATOM 0 HD13 ILE A 79 22.679 -1.875 0.909 1.00 24.02 H new ATOM 1126 N GLY A 80 24.174 -0.187 -0.793 1.00 0.03 N ATOM 1127 CA GLY A 80 23.045 0.705 -0.984 1.00 44.01 C ATOM 1128 C GLY A 80 23.316 2.103 -0.464 1.00 23.32 C ATOM 1129 O GLY A 80 24.049 2.872 -1.084 1.00 54.51 O ATOM 0 H GLY A 80 24.595 -0.536 -1.654 1.00 0.03 H new ATOM 0 HA2 GLY A 80 22.802 0.756 -2.045 1.00 44.01 H new ATOM 0 HA3 GLY A 80 22.172 0.295 -0.476 1.00 44.01 H new ATOM 1133 N GLY A 81 22.722 2.433 0.679 1.00 22.21 N ATOM 1134 CA GLY A 81 22.914 3.748 1.262 1.00 22.21 C ATOM 1135 C GLY A 81 23.651 3.693 2.586 1.00 51.12 C ATOM 1136 O GLY A 81 24.146 4.711 3.071 1.00 53.24 O ATOM 0 H GLY A 81 22.111 1.813 1.211 1.00 22.21 H new ATOM 0 HA2 GLY A 81 23.472 4.373 0.565 1.00 22.21 H new ATOM 0 HA3 GLY A 81 21.944 4.222 1.409 1.00 22.21 H new ATOM 1140 N ILE A 82 23.723 2.503 3.172 1.00 12.13 N ATOM 1141 CA ILE A 82 24.404 2.321 4.448 1.00 31.30 C ATOM 1142 C ILE A 82 25.901 2.114 4.247 1.00 3.33 C ATOM 1143 O ILE A 82 26.338 1.659 3.191 1.00 43.44 O ATOM 1144 CB ILE A 82 23.831 1.121 5.225 1.00 23.43 C ATOM 1145 CG1 ILE A 82 24.137 -0.185 4.488 1.00 2.05 C ATOM 1146 CG2 ILE A 82 22.332 1.285 5.423 1.00 31.45 C ATOM 1147 CD1 ILE A 82 24.893 -1.190 5.329 1.00 61.22 C ATOM 0 H ILE A 82 23.318 1.651 2.784 1.00 12.13 H new ATOM 0 HA ILE A 82 24.240 3.230 5.026 1.00 31.30 H new ATOM 0 HB ILE A 82 24.305 1.082 6.206 1.00 23.43 H new ATOM 0 HG12 ILE A 82 23.201 -0.633 4.155 1.00 2.05 H new ATOM 0 HG13 ILE A 82 24.719 0.039 3.594 1.00 2.05 H new ATOM 0 HG21 ILE A 82 21.942 0.429 5.974 1.00 31.45 H new ATOM 0 HG22 ILE A 82 22.137 2.198 5.986 1.00 31.45 H new ATOM 0 HG23 ILE A 82 21.841 1.346 4.452 1.00 31.45 H new ATOM 0 HD11 ILE A 82 25.075 -2.091 4.743 1.00 61.22 H new ATOM 0 HD12 ILE A 82 25.845 -0.761 5.640 1.00 61.22 H new ATOM 0 HD13 ILE A 82 24.304 -1.444 6.210 1.00 61.22 H new ATOM 1159 N GLN A 83 26.682 2.450 5.269 1.00 13.33 N ATOM 1160 CA GLN A 83 28.131 2.300 5.205 1.00 53.40 C ATOM 1161 C GLN A 83 28.699 1.916 6.567 1.00 62.42 C ATOM 1162 O GLN A 83 28.217 2.371 7.603 1.00 21.21 O ATOM 1163 CB GLN A 83 28.778 3.598 4.717 1.00 34.12 C ATOM 1164 CG GLN A 83 28.611 4.761 5.682 1.00 70.11 C ATOM 1165 CD GLN A 83 28.448 6.090 4.971 1.00 34.12 C ATOM 1166 OE1 GLN A 83 29.090 6.345 3.952 1.00 0.22 O ATOM 1167 NE2 GLN A 83 27.584 6.945 5.506 1.00 2.41 N ATOM 0 H GLN A 83 26.336 2.828 6.151 1.00 13.33 H new ATOM 0 HA GLN A 83 28.358 1.501 4.499 1.00 53.40 H new ATOM 0 HB2 GLN A 83 29.841 3.424 4.551 1.00 34.12 H new ATOM 0 HB3 GLN A 83 28.345 3.870 3.754 1.00 34.12 H new ATOM 0 HG2 GLN A 83 27.741 4.582 6.314 1.00 70.11 H new ATOM 0 HG3 GLN A 83 29.478 4.809 6.340 1.00 70.11 H new ATOM 0 HE21 GLN A 83 27.073 6.692 6.352 1.00 2.41 H new ATOM 0 HE22 GLN A 83 27.431 7.855 5.071 1.00 2.41 H new ATOM 1176 N GLY A 84 29.728 1.073 6.557 1.00 51.21 N ATOM 1177 CA GLY A 84 30.345 0.641 7.797 1.00 32.13 C ATOM 1178 C GLY A 84 31.741 0.089 7.589 1.00 71.42 C ATOM 1179 O GLY A 84 32.046 -0.465 6.532 1.00 14.23 O ATOM 0 H GLY A 84 30.145 0.682 5.712 1.00 51.21 H new ATOM 0 HA2 GLY A 84 30.390 1.482 8.489 1.00 32.13 H new ATOM 0 HA3 GLY A 84 29.722 -0.122 8.263 1.00 32.13 H new ATOM 1183 N SER A 85 32.592 0.240 8.598 1.00 5.31 N ATOM 1184 CA SER A 85 33.966 -0.243 8.518 1.00 1.34 C ATOM 1185 C SER A 85 34.446 -0.741 9.878 1.00 22.40 C ATOM 1186 O SER A 85 33.917 -0.351 10.919 1.00 14.20 O ATOM 1187 CB SER A 85 34.891 0.867 8.014 1.00 73.32 C ATOM 1188 OG SER A 85 34.583 1.218 6.676 1.00 14.41 O ATOM 0 H SER A 85 32.355 0.693 9.481 1.00 5.31 H new ATOM 0 HA SER A 85 33.992 -1.075 7.815 1.00 1.34 H new ATOM 0 HB2 SER A 85 34.795 1.744 8.655 1.00 73.32 H new ATOM 0 HB3 SER A 85 35.928 0.538 8.078 1.00 73.32 H new ATOM 0 HG SER A 85 34.797 2.163 6.528 1.00 14.41 H new ATOM 1194 N THR A 86 35.454 -1.608 9.861 1.00 21.32 N ATOM 1195 CA THR A 86 36.006 -2.162 11.091 1.00 62.41 C ATOM 1196 C THR A 86 37.513 -1.944 11.164 1.00 21.43 C ATOM 1197 O THR A 86 38.184 -1.829 10.138 1.00 31.44 O ATOM 1198 CB THR A 86 35.711 -3.669 11.210 1.00 35.44 C ATOM 1199 OG1 THR A 86 36.592 -4.410 10.359 1.00 74.50 O ATOM 1200 CG2 THR A 86 34.266 -3.969 10.838 1.00 43.32 C ATOM 0 H THR A 86 35.904 -1.941 9.009 1.00 21.32 H new ATOM 0 HA THR A 86 35.525 -1.638 11.917 1.00 62.41 H new ATOM 0 HB THR A 86 35.872 -3.967 12.246 1.00 35.44 H new ATOM 0 HG1 THR A 86 36.945 -5.183 10.847 1.00 74.50 H new ATOM 0 HG21 THR A 86 34.081 -5.039 10.930 1.00 43.32 H new ATOM 0 HG22 THR A 86 33.598 -3.427 11.507 1.00 43.32 H new ATOM 0 HG23 THR A 86 34.082 -3.656 9.810 1.00 43.32 H new ATOM 1208 N ASP A 87 38.039 -1.889 12.383 1.00 64.23 N ATOM 1209 CA ASP A 87 39.469 -1.687 12.590 1.00 53.33 C ATOM 1210 C ASP A 87 40.135 -2.971 13.072 1.00 64.55 C ATOM 1211 O ASP A 87 39.708 -3.573 14.057 1.00 72.42 O ATOM 1212 CB ASP A 87 39.705 -0.564 13.601 1.00 22.34 C ATOM 1213 CG ASP A 87 41.105 0.010 13.512 1.00 4.20 C ATOM 1214 OD1 ASP A 87 41.438 0.604 12.465 1.00 73.14 O ATOM 1215 OD2 ASP A 87 41.869 -0.133 14.490 1.00 75.12 O ATOM 0 H ASP A 87 37.497 -1.981 13.242 1.00 64.23 H new ATOM 0 HA ASP A 87 39.914 -1.406 11.635 1.00 53.33 H new ATOM 0 HB2 ASP A 87 38.978 0.231 13.433 1.00 22.34 H new ATOM 0 HB3 ASP A 87 39.535 -0.944 14.608 1.00 22.34 H new ATOM 1220 N PHE A 88 41.185 -3.387 12.370 1.00 54.24 N ATOM 1221 CA PHE A 88 41.909 -4.601 12.724 1.00 23.53 C ATOM 1222 C PHE A 88 43.400 -4.318 12.885 1.00 60.00 C ATOM 1223 O PHE A 88 43.998 -3.601 12.082 1.00 12.24 O ATOM 1224 CB PHE A 88 41.695 -5.678 11.658 1.00 24.03 C ATOM 1225 CG PHE A 88 40.368 -6.372 11.765 1.00 33.12 C ATOM 1226 CD1 PHE A 88 39.944 -6.903 12.973 1.00 60.11 C ATOM 1227 CD2 PHE A 88 39.543 -6.493 10.658 1.00 1.04 C ATOM 1228 CE1 PHE A 88 38.723 -7.543 13.074 1.00 41.03 C ATOM 1229 CE2 PHE A 88 38.321 -7.131 10.753 1.00 32.43 C ATOM 1230 CZ PHE A 88 37.910 -7.656 11.963 1.00 70.11 C ATOM 0 H PHE A 88 41.553 -2.900 11.553 1.00 54.24 H new ATOM 0 HA PHE A 88 41.520 -4.961 13.677 1.00 23.53 H new ATOM 0 HB2 PHE A 88 41.779 -5.223 10.671 1.00 24.03 H new ATOM 0 HB3 PHE A 88 42.491 -6.419 11.737 1.00 24.03 H new ATOM 0 HD1 PHE A 88 40.575 -6.816 13.845 1.00 60.11 H new ATOM 0 HD2 PHE A 88 39.859 -6.084 9.710 1.00 1.04 H new ATOM 0 HE1 PHE A 88 38.405 -7.954 14.021 1.00 41.03 H new ATOM 0 HE2 PHE A 88 37.688 -7.219 9.882 1.00 32.43 H new ATOM 0 HZ PHE A 88 36.955 -8.154 12.040 1.00 70.11 H new ATOM 1240 N LYS A 89 43.995 -4.886 13.928 1.00 10.05 N ATOM 1241 CA LYS A 89 45.416 -4.697 14.196 1.00 14.45 C ATOM 1242 C LYS A 89 46.119 -6.038 14.378 1.00 73.00 C ATOM 1243 O LYS A 89 45.917 -6.725 15.379 1.00 21.42 O ATOM 1244 CB LYS A 89 45.609 -3.834 15.446 1.00 65.04 C ATOM 1245 CG LYS A 89 45.979 -2.393 15.139 1.00 75.05 C ATOM 1246 CD LYS A 89 47.142 -1.921 15.994 1.00 42.10 C ATOM 1247 CE LYS A 89 46.661 -1.310 17.301 1.00 2.02 C ATOM 1248 NZ LYS A 89 46.746 0.177 17.283 1.00 74.32 N ATOM 0 H LYS A 89 43.515 -5.482 14.602 1.00 10.05 H new ATOM 0 HA LYS A 89 45.858 -4.189 13.339 1.00 14.45 H new ATOM 0 HB2 LYS A 89 44.690 -3.847 16.032 1.00 65.04 H new ATOM 0 HB3 LYS A 89 46.389 -4.276 16.066 1.00 65.04 H new ATOM 0 HG2 LYS A 89 46.240 -2.300 14.085 1.00 75.05 H new ATOM 0 HG3 LYS A 89 45.116 -1.750 15.311 1.00 75.05 H new ATOM 0 HD2 LYS A 89 47.804 -2.761 16.206 1.00 42.10 H new ATOM 0 HD3 LYS A 89 47.727 -1.186 15.441 1.00 42.10 H new ATOM 0 HE2 LYS A 89 45.630 -1.613 17.486 1.00 2.02 H new ATOM 0 HE3 LYS A 89 47.260 -1.698 18.125 1.00 2.02 H new ATOM 0 HZ1 LYS A 89 46.409 0.555 18.191 1.00 74.32 H new ATOM 0 HZ2 LYS A 89 47.733 0.466 17.132 1.00 74.32 H new ATOM 0 HZ3 LYS A 89 46.155 0.549 16.513 1.00 74.32 H new ATOM 1262 N VAL A 90 46.946 -6.404 13.404 1.00 73.31 N ATOM 1263 CA VAL A 90 47.681 -7.662 13.458 1.00 73.33 C ATOM 1264 C VAL A 90 49.112 -7.442 13.933 1.00 65.30 C ATOM 1265 O VAL A 90 49.954 -6.933 13.192 1.00 71.24 O ATOM 1266 CB VAL A 90 47.709 -8.355 12.082 1.00 32.24 C ATOM 1267 CG1 VAL A 90 48.507 -9.648 12.152 1.00 70.21 C ATOM 1268 CG2 VAL A 90 46.294 -8.618 11.590 1.00 73.41 C ATOM 0 H VAL A 90 47.124 -5.847 12.568 1.00 73.31 H new ATOM 0 HA VAL A 90 47.160 -8.303 14.169 1.00 73.33 H new ATOM 0 HB VAL A 90 48.199 -7.692 11.370 1.00 32.24 H new ATOM 0 HG11 VAL A 90 48.516 -10.124 11.171 1.00 70.21 H new ATOM 0 HG12 VAL A 90 49.530 -9.428 12.458 1.00 70.21 H new ATOM 0 HG13 VAL A 90 48.048 -10.320 12.877 1.00 70.21 H new ATOM 0 HG21 VAL A 90 46.332 -9.108 10.617 1.00 73.41 H new ATOM 0 HG22 VAL A 90 45.776 -9.262 12.300 1.00 73.41 H new ATOM 0 HG23 VAL A 90 45.759 -7.673 11.500 1.00 73.41 H new ATOM 1278 N THR A 91 49.384 -7.830 15.175 1.00 0.24 N ATOM 1279 CA THR A 91 50.714 -7.675 15.751 1.00 51.30 C ATOM 1280 C THR A 91 51.381 -9.028 15.966 1.00 63.31 C ATOM 1281 O THR A 91 50.707 -10.036 16.174 1.00 33.22 O ATOM 1282 CB THR A 91 50.661 -6.922 17.094 1.00 35.41 C ATOM 1283 OG1 THR A 91 49.811 -7.619 18.012 1.00 14.22 O ATOM 1284 CG2 THR A 91 50.150 -5.503 16.899 1.00 12.22 C ATOM 0 H THR A 91 48.700 -8.254 15.802 1.00 0.24 H new ATOM 0 HA THR A 91 51.300 -7.093 15.040 1.00 51.30 H new ATOM 0 HB THR A 91 51.672 -6.874 17.499 1.00 35.41 H new ATOM 0 HG1 THR A 91 49.784 -7.136 18.864 1.00 14.22 H new ATOM 0 HG21 THR A 91 50.121 -4.991 17.861 1.00 12.22 H new ATOM 0 HG22 THR A 91 50.815 -4.967 16.222 1.00 12.22 H new ATOM 0 HG23 THR A 91 49.147 -5.533 16.474 1.00 12.22 H new ATOM 1292 N GLN A 92 52.709 -9.043 15.915 1.00 43.15 N ATOM 1293 CA GLN A 92 53.467 -10.274 16.104 1.00 61.11 C ATOM 1294 C GLN A 92 53.602 -10.608 17.586 1.00 74.01 C ATOM 1295 O GLN A 92 54.405 -10.005 18.299 1.00 55.33 O ATOM 1296 CB GLN A 92 54.853 -10.147 15.470 1.00 63.43 C ATOM 1297 CG GLN A 92 55.216 -11.313 14.563 1.00 4.53 C ATOM 1298 CD GLN A 92 55.321 -12.625 15.314 1.00 30.40 C ATOM 1299 OE1 GLN A 92 54.577 -13.569 15.045 1.00 51.24 O ATOM 1300 NE2 GLN A 92 56.248 -12.693 16.262 1.00 30.24 N ATOM 0 H GLN A 92 53.282 -8.217 15.744 1.00 43.15 H new ATOM 0 HA GLN A 92 52.924 -11.083 15.616 1.00 61.11 H new ATOM 0 HB2 GLN A 92 54.897 -9.222 14.895 1.00 63.43 H new ATOM 0 HB3 GLN A 92 55.599 -10.066 16.260 1.00 63.43 H new ATOM 0 HG2 GLN A 92 54.464 -11.406 13.779 1.00 4.53 H new ATOM 0 HG3 GLN A 92 56.166 -11.103 14.071 1.00 4.53 H new ATOM 0 HE21 GLN A 92 56.843 -11.887 16.452 1.00 30.24 H new ATOM 0 HE22 GLN A 92 56.365 -13.551 16.800 1.00 30.24 H new