USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 SER OG : rot 180:sc= -1.04 USER MOD Set 1.2: A 83 GLN : amide:sc= 0 X(o=-1,f=-1.5) USER MOD Set 2.1: A 47 SER OG : rot -150:sc= -0.474 USER MOD Set 2.2: A 49 ASN : amide:sc= -2.49 K(o=-6.9,f=-7.8!) USER MOD Set 2.3: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.4: A 69 ASN : amide:sc= -3.98! C(o=-6.9!,f=-7.5!) USER MOD Single : A 7 SER OG : rot 180:sc= -3.2! USER MOD Single : A 9 SER OG : rot 180:sc= 0.0069 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= -0.0356 K(o=-0.036,f=-2.1!) 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= -0.156 X(o=-0.16,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.33) 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 USER MOD Single : A 34 ASN : amide:sc= -0.937! C(o=-0.94!,f=-1.1!) USER MOD Single : A 35 SER OG : rot 32:sc= 0.965 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0.11 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 38:sc= 0.538 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 7:sc= 0.0932 USER MOD Single : A 56 SER OG : rot 45:sc= 0.00716 USER MOD Single : A 57 ASN : amide:sc= -3 K(o=-3,f=-7.2!) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0596 USER MOD Single : A 61 SER OG : rot 180:sc= -0.139 USER MOD Single : A 62 HIS : no HD1:sc= -0.656 K(o=-0.66,f=-1.6) USER MOD Single : A 66 SER OG : rot 180:sc= -0.0429 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 72 ASN : amide:sc= 0.078 K(o=0.078,f=-2.4!) USER MOD Single : A 74 LYS NZ :NH3+ 166:sc= -0.0448 (180deg=-0.219) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 111:sc= 1.15 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0398 USER MOD Single : A 92 GLN : amide:sc= -0.155 K(o=-0.15,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 15.427 1.157 2.477 1.00 24.21 N ATOM 72 CA VAL A 6 15.510 2.094 3.591 1.00 22.43 C ATOM 73 C VAL A 6 16.947 2.242 4.079 1.00 41.24 C ATOM 74 O VAL A 6 17.599 3.254 3.822 1.00 11.40 O ATOM 75 CB VAL A 6 14.624 1.645 4.769 1.00 42.13 C ATOM 76 CG1 VAL A 6 14.778 2.596 5.946 1.00 45.13 C ATOM 77 CG2 VAL A 6 13.169 1.552 4.335 1.00 42.23 C ATOM 0 HA VAL A 6 15.153 3.056 3.223 1.00 22.43 H new ATOM 0 HB VAL A 6 14.948 0.655 5.088 1.00 42.13 H new ATOM 0 HG11 VAL A 6 14.145 2.263 6.768 1.00 45.13 H new ATOM 0 HG12 VAL A 6 15.818 2.607 6.271 1.00 45.13 H new ATOM 0 HG13 VAL A 6 14.481 3.600 5.644 1.00 45.13 H new ATOM 0 HG21 VAL A 6 12.557 1.234 5.179 1.00 42.23 H new ATOM 0 HG22 VAL A 6 12.830 2.528 3.989 1.00 42.23 H new ATOM 0 HG23 VAL A 6 13.076 0.827 3.526 1.00 42.23 H new ATOM 87 N SER A 7 17.435 1.226 4.783 1.00 44.22 N ATOM 88 CA SER A 7 18.795 1.245 5.310 1.00 61.35 C ATOM 89 C SER A 7 19.108 -0.051 6.052 1.00 52.02 C ATOM 90 O SER A 7 18.218 -0.863 6.306 1.00 22.43 O ATOM 91 CB SER A 7 18.986 2.440 6.245 1.00 40.43 C ATOM 92 OG SER A 7 17.738 2.973 6.652 1.00 11.44 O ATOM 0 H SER A 7 16.910 0.380 5.002 1.00 44.22 H new ATOM 0 HA SER A 7 19.483 1.337 4.469 1.00 61.35 H new ATOM 0 HB2 SER A 7 19.557 2.133 7.121 1.00 40.43 H new ATOM 0 HB3 SER A 7 19.567 3.212 5.740 1.00 40.43 H new ATOM 0 HG SER A 7 17.887 3.735 7.250 1.00 11.44 H new ATOM 98 N ILE A 8 20.378 -0.236 6.396 1.00 73.40 N ATOM 99 CA ILE A 8 20.808 -1.432 7.110 1.00 65.13 C ATOM 100 C ILE A 8 21.691 -1.073 8.301 1.00 72.54 C ATOM 101 O ILE A 8 22.460 -0.114 8.250 1.00 63.05 O ATOM 102 CB ILE A 8 21.579 -2.393 6.185 1.00 1.20 C ATOM 103 CG1 ILE A 8 22.072 -3.608 6.973 1.00 72.30 C ATOM 104 CG2 ILE A 8 22.746 -1.672 5.527 1.00 25.43 C ATOM 105 CD1 ILE A 8 22.141 -4.875 6.149 1.00 32.01 C ATOM 0 H ILE A 8 21.127 0.426 6.192 1.00 73.40 H new ATOM 0 HA ILE A 8 19.906 -1.929 7.466 1.00 65.13 H new ATOM 0 HB ILE A 8 20.904 -2.741 5.403 1.00 1.20 H new ATOM 0 HG12 ILE A 8 23.061 -3.392 7.376 1.00 72.30 H new ATOM 0 HG13 ILE A 8 21.410 -3.773 7.823 1.00 72.30 H new ATOM 0 HG21 ILE A 8 23.281 -2.364 4.877 1.00 25.43 H new ATOM 0 HG22 ILE A 8 22.371 -0.836 4.937 1.00 25.43 H new ATOM 0 HG23 ILE A 8 23.423 -1.299 6.295 1.00 25.43 H new ATOM 0 HD11 ILE A 8 22.498 -5.695 6.772 1.00 32.01 H new ATOM 0 HD12 ILE A 8 21.149 -5.115 5.767 1.00 32.01 H new ATOM 0 HD13 ILE A 8 22.826 -4.729 5.314 1.00 32.01 H new ATOM 117 N SER A 9 21.575 -1.852 9.372 1.00 61.03 N ATOM 118 CA SER A 9 22.361 -1.616 10.577 1.00 11.30 C ATOM 119 C SER A 9 23.608 -2.494 10.593 1.00 21.24 C ATOM 120 O SER A 9 23.520 -3.715 10.728 1.00 2.21 O ATOM 121 CB SER A 9 21.516 -1.887 11.823 1.00 1.44 C ATOM 122 OG SER A 9 20.146 -2.025 11.490 1.00 33.43 O ATOM 0 H SER A 9 20.944 -2.652 9.430 1.00 61.03 H new ATOM 0 HA SER A 9 22.674 -0.572 10.579 1.00 11.30 H new ATOM 0 HB2 SER A 9 21.867 -2.795 12.314 1.00 1.44 H new ATOM 0 HB3 SER A 9 21.640 -1.071 12.535 1.00 1.44 H new ATOM 0 HG SER A 9 19.628 -2.199 12.303 1.00 33.43 H new ATOM 128 N VAL A 10 24.770 -1.864 10.455 1.00 42.20 N ATOM 129 CA VAL A 10 26.037 -2.586 10.455 1.00 74.43 C ATOM 130 C VAL A 10 26.662 -2.601 11.845 1.00 14.42 C ATOM 131 O VAL A 10 26.710 -1.576 12.526 1.00 42.04 O ATOM 132 CB VAL A 10 27.036 -1.966 9.461 1.00 65.02 C ATOM 133 CG1 VAL A 10 27.413 -0.557 9.892 1.00 41.35 C ATOM 134 CG2 VAL A 10 28.274 -2.842 9.334 1.00 74.14 C ATOM 0 H VAL A 10 24.860 -0.854 10.342 1.00 42.20 H new ATOM 0 HA VAL A 10 25.818 -3.609 10.148 1.00 74.43 H new ATOM 0 HB VAL A 10 26.559 -1.906 8.483 1.00 65.02 H new ATOM 0 HG11 VAL A 10 28.120 -0.135 9.178 1.00 41.35 H new ATOM 0 HG12 VAL A 10 26.518 0.064 9.928 1.00 41.35 H new ATOM 0 HG13 VAL A 10 27.872 -0.589 10.880 1.00 41.35 H new ATOM 0 HG21 VAL A 10 28.969 -2.389 8.628 1.00 74.14 H new ATOM 0 HG22 VAL A 10 28.755 -2.935 10.308 1.00 74.14 H new ATOM 0 HG23 VAL A 10 27.985 -3.830 8.976 1.00 74.14 H new ATOM 144 N SER A 11 27.139 -3.769 12.261 1.00 24.03 N ATOM 145 CA SER A 11 27.759 -3.918 13.573 1.00 60.12 C ATOM 146 C SER A 11 29.249 -4.219 13.439 1.00 52.12 C ATOM 147 O SER A 11 29.702 -5.344 13.648 1.00 23.23 O ATOM 148 CB SER A 11 27.071 -5.034 14.362 1.00 52.24 C ATOM 149 OG SER A 11 25.944 -4.541 15.065 1.00 55.24 O ATOM 0 H SER A 11 27.108 -4.626 11.709 1.00 24.03 H new ATOM 0 HA SER A 11 27.643 -2.977 14.111 1.00 60.12 H new ATOM 0 HB2 SER A 11 26.761 -5.827 13.681 1.00 52.24 H new ATOM 0 HB3 SER A 11 27.777 -5.476 15.065 1.00 52.24 H new ATOM 0 HG SER A 11 25.521 -5.274 15.560 1.00 55.24 H new ATOM 155 N PRO A 12 30.030 -3.189 13.081 1.00 54.21 N ATOM 156 CA PRO A 12 31.480 -3.317 12.911 1.00 40.51 C ATOM 157 C PRO A 12 32.202 -3.531 14.237 1.00 44.53 C ATOM 158 O PRO A 12 31.757 -3.057 15.283 1.00 51.25 O ATOM 159 CB PRO A 12 31.884 -1.976 12.292 1.00 21.11 C ATOM 160 CG PRO A 12 30.829 -1.022 12.733 1.00 14.31 C ATOM 161 CD PRO A 12 29.557 -1.820 12.815 1.00 12.20 C ATOM 0 HA PRO A 12 31.745 -4.181 12.301 1.00 40.51 H new ATOM 0 HB2 PRO A 12 32.870 -1.662 12.635 1.00 21.11 H new ATOM 0 HB3 PRO A 12 31.931 -2.040 11.205 1.00 21.11 H new ATOM 0 HG2 PRO A 12 31.078 -0.584 13.700 1.00 14.31 H new ATOM 0 HG3 PRO A 12 30.728 -0.198 12.027 1.00 14.31 H new ATOM 0 HD2 PRO A 12 28.906 -1.458 13.611 1.00 12.20 H new ATOM 0 HD3 PRO A 12 28.987 -1.765 11.887 1.00 12.20 H new ATOM 169 N THR A 13 33.321 -4.247 14.187 1.00 21.10 N ATOM 170 CA THR A 13 34.105 -4.524 15.384 1.00 70.40 C ATOM 171 C THR A 13 35.490 -3.894 15.293 1.00 52.33 C ATOM 172 O THR A 13 36.311 -4.293 14.468 1.00 14.00 O ATOM 173 CB THR A 13 34.258 -6.039 15.617 1.00 33.41 C ATOM 174 OG1 THR A 13 33.182 -6.743 14.986 1.00 63.05 O ATOM 175 CG2 THR A 13 34.275 -6.359 17.104 1.00 4.02 C ATOM 0 H THR A 13 33.705 -4.646 13.330 1.00 21.10 H new ATOM 0 HA THR A 13 33.564 -4.087 16.223 1.00 70.40 H new ATOM 0 HB THR A 13 35.205 -6.357 15.182 1.00 33.41 H new ATOM 0 HG1 THR A 13 33.288 -7.705 15.137 1.00 63.05 H new ATOM 0 HG21 THR A 13 34.384 -7.435 17.243 1.00 4.02 H new ATOM 0 HG22 THR A 13 35.112 -5.845 17.577 1.00 4.02 H new ATOM 0 HG23 THR A 13 33.342 -6.027 17.558 1.00 4.02 H new ATOM 183 N ASN A 14 35.743 -2.907 16.146 1.00 12.40 N ATOM 184 CA ASN A 14 37.030 -2.221 16.161 1.00 14.52 C ATOM 185 C ASN A 14 37.908 -2.738 17.296 1.00 5.20 C ATOM 186 O ASN A 14 37.795 -2.289 18.437 1.00 42.04 O ATOM 187 CB ASN A 14 36.825 -0.711 16.307 1.00 33.32 C ATOM 188 CG ASN A 14 35.845 -0.365 17.411 1.00 32.05 C ATOM 189 OD1 ASN A 14 34.643 -0.604 17.288 1.00 43.52 O ATOM 190 ND2 ASN A 14 36.355 0.201 18.499 1.00 0.10 N ATOM 0 H ASN A 14 35.074 -2.564 16.836 1.00 12.40 H new ATOM 0 HA ASN A 14 37.533 -2.423 15.215 1.00 14.52 H new ATOM 0 HB2 ASN A 14 37.784 -0.235 16.514 1.00 33.32 H new ATOM 0 HB3 ASN A 14 36.464 -0.303 15.363 1.00 33.32 H new ATOM 0 HD21 ASN A 14 35.744 0.456 19.275 1.00 0.10 H new ATOM 0 HD22 ASN A 14 37.357 0.381 18.558 1.00 0.10 H new ATOM 197 N SER A 15 38.785 -3.684 16.974 1.00 33.14 N ATOM 198 CA SER A 15 39.681 -4.265 17.967 1.00 61.11 C ATOM 199 C SER A 15 40.918 -4.860 17.300 1.00 13.00 C ATOM 200 O SER A 15 41.162 -4.645 16.112 1.00 32.12 O ATOM 201 CB SER A 15 38.954 -5.343 18.773 1.00 71.32 C ATOM 202 OG SER A 15 39.357 -5.323 20.131 1.00 31.42 O ATOM 0 H SER A 15 38.894 -4.064 16.034 1.00 33.14 H new ATOM 0 HA SER A 15 40.000 -3.470 18.642 1.00 61.11 H new ATOM 0 HB2 SER A 15 37.877 -5.186 18.708 1.00 71.32 H new ATOM 0 HB3 SER A 15 39.160 -6.323 18.344 1.00 71.32 H new ATOM 0 HG SER A 15 38.877 -6.020 20.625 1.00 31.42 H new ATOM 208 N THR A 16 41.697 -5.610 18.074 1.00 74.04 N ATOM 209 CA THR A 16 42.909 -6.236 17.560 1.00 14.41 C ATOM 210 C THR A 16 42.716 -7.736 17.372 1.00 54.01 C ATOM 211 O THR A 16 41.878 -8.352 18.031 1.00 11.11 O ATOM 212 CB THR A 16 44.105 -5.997 18.500 1.00 23.53 C ATOM 213 OG1 THR A 16 43.902 -6.690 19.737 1.00 21.10 O ATOM 214 CG2 THR A 16 44.294 -4.512 18.770 1.00 23.31 C ATOM 0 H THR A 16 41.510 -5.798 19.059 1.00 74.04 H new ATOM 0 HA THR A 16 43.118 -5.776 16.594 1.00 14.41 H new ATOM 0 HB THR A 16 45.003 -6.378 18.013 1.00 23.53 H new ATOM 0 HG1 THR A 16 44.668 -6.534 20.329 1.00 21.10 H new ATOM 0 HG21 THR A 16 45.145 -4.369 19.436 1.00 23.31 H new ATOM 0 HG22 THR A 16 44.478 -3.992 17.830 1.00 23.31 H new ATOM 0 HG23 THR A 16 43.395 -4.110 19.237 1.00 23.31 H new ATOM 222 N VAL A 17 43.496 -8.320 16.468 1.00 5.33 N ATOM 223 CA VAL A 17 43.413 -9.749 16.195 1.00 75.34 C ATOM 224 C VAL A 17 44.800 -10.374 16.104 1.00 3.02 C ATOM 225 O VAL A 17 45.779 -9.695 15.795 1.00 11.24 O ATOM 226 CB VAL A 17 42.651 -10.026 14.885 1.00 74.21 C ATOM 227 CG1 VAL A 17 43.463 -9.562 13.686 1.00 64.32 C ATOM 228 CG2 VAL A 17 42.311 -11.504 14.769 1.00 34.42 C ATOM 0 H VAL A 17 44.193 -7.825 15.912 1.00 5.33 H new ATOM 0 HA VAL A 17 42.870 -10.198 17.026 1.00 75.34 H new ATOM 0 HB VAL A 17 41.718 -9.462 14.902 1.00 74.21 H new ATOM 0 HG11 VAL A 17 42.908 -9.766 12.770 1.00 64.32 H new ATOM 0 HG12 VAL A 17 43.650 -8.491 13.766 1.00 64.32 H new ATOM 0 HG13 VAL A 17 44.413 -10.096 13.661 1.00 64.32 H new ATOM 0 HG21 VAL A 17 41.773 -11.682 13.838 1.00 34.42 H new ATOM 0 HG22 VAL A 17 43.230 -12.090 14.775 1.00 34.42 H new ATOM 0 HG23 VAL A 17 41.686 -11.801 15.611 1.00 34.42 H new ATOM 238 N ALA A 18 44.877 -11.673 16.375 1.00 3.34 N ATOM 239 CA ALA A 18 46.145 -12.390 16.322 1.00 31.32 C ATOM 240 C ALA A 18 46.637 -12.530 14.886 1.00 42.53 C ATOM 241 O ALA A 18 45.897 -12.269 13.937 1.00 44.23 O ATOM 242 CB ALA A 18 46.003 -13.760 16.969 1.00 63.32 C ATOM 0 H ALA A 18 44.076 -12.250 16.633 1.00 3.34 H new ATOM 0 HA ALA A 18 46.884 -11.812 16.877 1.00 31.32 H new ATOM 0 HB1 ALA A 18 46.957 -14.285 16.923 1.00 63.32 H new ATOM 0 HB2 ALA A 18 45.704 -13.641 18.011 1.00 63.32 H new ATOM 0 HB3 ALA A 18 45.246 -14.336 16.438 1.00 63.32 H new ATOM 248 N LYS A 19 47.891 -12.941 14.732 1.00 20.42 N ATOM 249 CA LYS A 19 48.483 -13.116 13.411 1.00 22.23 C ATOM 250 C LYS A 19 47.705 -14.146 12.598 1.00 2.21 C ATOM 251 O LYS A 19 47.544 -15.290 13.019 1.00 34.34 O ATOM 252 CB LYS A 19 49.945 -13.550 13.538 1.00 22.15 C ATOM 253 CG LYS A 19 50.675 -13.627 12.209 1.00 51.34 C ATOM 254 CD LYS A 19 51.144 -15.041 11.911 1.00 41.14 C ATOM 255 CE LYS A 19 52.388 -15.043 11.036 1.00 44.41 C ATOM 256 NZ LYS A 19 53.604 -15.437 11.801 1.00 12.50 N ATOM 0 H LYS A 19 48.518 -13.159 15.507 1.00 20.42 H new ATOM 0 HA LYS A 19 48.438 -12.159 12.891 1.00 22.23 H new ATOM 0 HB2 LYS A 19 50.468 -12.850 14.190 1.00 22.15 H new ATOM 0 HB3 LYS A 19 49.985 -14.526 14.022 1.00 22.15 H new ATOM 0 HG2 LYS A 19 50.016 -13.286 11.411 1.00 51.34 H new ATOM 0 HG3 LYS A 19 51.532 -12.954 12.224 1.00 51.34 H new ATOM 0 HD2 LYS A 19 51.355 -15.560 12.846 1.00 41.14 H new ATOM 0 HD3 LYS A 19 50.347 -15.593 11.413 1.00 41.14 H new ATOM 0 HE2 LYS A 19 52.245 -15.731 10.203 1.00 44.41 H new ATOM 0 HE3 LYS A 19 52.533 -14.051 10.609 1.00 44.41 H new ATOM 0 HZ1 LYS A 19 54.430 -15.426 11.169 1.00 12.50 H new ATOM 0 HZ2 LYS A 19 53.756 -14.766 12.581 1.00 12.50 H new ATOM 0 HZ3 LYS A 19 53.476 -16.394 12.187 1.00 12.50 H new ATOM 270 N GLY A 20 47.226 -13.731 11.429 1.00 1.01 N ATOM 271 CA GLY A 20 46.472 -14.630 10.575 1.00 22.22 C ATOM 272 C GLY A 20 45.255 -15.206 11.271 1.00 31.10 C ATOM 273 O GLY A 20 45.353 -16.205 11.985 1.00 3.45 O ATOM 0 H GLY A 20 47.347 -12.788 11.058 1.00 1.01 H new ATOM 0 HA2 GLY A 20 46.155 -14.095 9.679 1.00 22.22 H new ATOM 0 HA3 GLY A 20 47.119 -15.444 10.248 1.00 22.22 H new ATOM 277 N LEU A 21 44.104 -14.576 11.065 1.00 41.44 N ATOM 278 CA LEU A 21 42.862 -15.030 11.679 1.00 34.40 C ATOM 279 C LEU A 21 41.658 -14.634 10.831 1.00 55.42 C ATOM 280 O LEU A 21 41.809 -14.074 9.745 1.00 22.03 O ATOM 281 CB LEU A 21 42.723 -14.448 13.087 1.00 55.35 C ATOM 282 CG LEU A 21 42.453 -15.454 14.206 1.00 44.10 C ATOM 283 CD1 LEU A 21 43.751 -16.101 14.665 1.00 33.03 C ATOM 284 CD2 LEU A 21 41.750 -14.777 15.374 1.00 61.34 C ATOM 0 H LEU A 21 44.005 -13.749 10.477 1.00 41.44 H new ATOM 0 HA LEU A 21 42.895 -16.118 11.744 1.00 34.40 H new ATOM 0 HB2 LEU A 21 43.638 -13.906 13.326 1.00 55.35 H new ATOM 0 HB3 LEU A 21 41.913 -13.718 13.078 1.00 55.35 H new ATOM 0 HG LEU A 21 41.799 -16.234 13.818 1.00 44.10 H new ATOM 0 HD11 LEU A 21 43.540 -16.814 15.462 1.00 33.03 H new ATOM 0 HD12 LEU A 21 44.215 -16.620 13.827 1.00 33.03 H new ATOM 0 HD13 LEU A 21 44.429 -15.333 15.036 1.00 33.03 H new ATOM 0 HD21 LEU A 21 41.566 -15.508 16.161 1.00 61.34 H new ATOM 0 HD22 LEU A 21 42.379 -13.976 15.763 1.00 61.34 H new ATOM 0 HD23 LEU A 21 40.801 -14.361 15.036 1.00 61.34 H new ATOM 296 N GLN A 22 40.463 -14.926 11.335 1.00 10.40 N ATOM 297 CA GLN A 22 39.233 -14.598 10.624 1.00 42.44 C ATOM 298 C GLN A 22 38.177 -14.057 11.582 1.00 23.34 C ATOM 299 O GLN A 22 38.014 -14.566 12.691 1.00 71.34 O ATOM 300 CB GLN A 22 38.695 -15.831 9.896 1.00 23.13 C ATOM 301 CG GLN A 22 39.319 -16.050 8.527 1.00 32.23 C ATOM 302 CD GLN A 22 39.962 -17.416 8.391 1.00 73.23 C ATOM 303 OE1 GLN A 22 39.622 -18.188 7.494 1.00 75.32 O ATOM 304 NE2 GLN A 22 40.897 -17.722 9.282 1.00 63.31 N ATOM 0 H GLN A 22 40.321 -15.389 12.233 1.00 10.40 H new ATOM 0 HA GLN A 22 39.463 -13.824 9.892 1.00 42.44 H new ATOM 0 HB2 GLN A 22 38.872 -16.713 10.512 1.00 23.13 H new ATOM 0 HB3 GLN A 22 37.615 -15.733 9.783 1.00 23.13 H new ATOM 0 HG2 GLN A 22 38.553 -15.935 7.760 1.00 32.23 H new ATOM 0 HG3 GLN A 22 40.069 -15.280 8.346 1.00 32.23 H new ATOM 0 HE21 GLN A 22 41.148 -17.052 10.009 1.00 63.31 H new ATOM 0 HE22 GLN A 22 41.365 -18.627 9.240 1.00 63.31 H new ATOM 313 N GLU A 23 37.464 -13.023 11.148 1.00 72.24 N ATOM 314 CA GLU A 23 36.424 -12.414 11.969 1.00 45.20 C ATOM 315 C GLU A 23 35.068 -12.490 11.274 1.00 12.25 C ATOM 316 O GLU A 23 34.981 -12.417 10.050 1.00 51.44 O ATOM 317 CB GLU A 23 36.773 -10.955 12.273 1.00 62.32 C ATOM 318 CG GLU A 23 36.473 -10.543 13.704 1.00 32.00 C ATOM 319 CD GLU A 23 37.678 -10.676 14.614 1.00 2.45 C ATOM 320 OE1 GLU A 23 38.775 -10.231 14.216 1.00 21.42 O ATOM 321 OE2 GLU A 23 37.524 -11.224 15.726 1.00 12.31 O ATOM 0 H GLU A 23 37.587 -12.589 10.233 1.00 72.24 H new ATOM 0 HA GLU A 23 36.364 -12.969 12.905 1.00 45.20 H new ATOM 0 HB2 GLU A 23 37.832 -10.794 12.072 1.00 62.32 H new ATOM 0 HB3 GLU A 23 36.218 -10.308 11.594 1.00 62.32 H new ATOM 0 HG2 GLU A 23 36.126 -9.510 13.715 1.00 32.00 H new ATOM 0 HG3 GLU A 23 35.660 -11.157 14.092 1.00 32.00 H new ATOM 328 N ASN A 24 34.011 -12.638 12.067 1.00 3.33 N ATOM 329 CA ASN A 24 32.658 -12.725 11.529 1.00 5.05 C ATOM 330 C ASN A 24 31.941 -11.383 11.642 1.00 71.24 C ATOM 331 O ASN A 24 32.068 -10.681 12.645 1.00 44.23 O ATOM 332 CB ASN A 24 31.863 -13.805 12.266 1.00 1.53 C ATOM 333 CG ASN A 24 32.044 -13.731 13.770 1.00 12.32 C ATOM 334 OD1 ASN A 24 31.584 -12.789 14.416 1.00 32.24 O ATOM 335 ND2 ASN A 24 32.717 -14.727 14.335 1.00 50.44 N ATOM 0 H ASN A 24 34.066 -12.700 13.084 1.00 3.33 H new ATOM 0 HA ASN A 24 32.729 -12.991 10.474 1.00 5.05 H new ATOM 0 HB2 ASN A 24 30.805 -13.702 12.025 1.00 1.53 H new ATOM 0 HB3 ASN A 24 32.176 -14.788 11.913 1.00 1.53 H new ATOM 0 HD21 ASN A 24 32.870 -14.731 15.343 1.00 50.44 H new ATOM 0 HD22 ASN A 24 33.080 -15.487 13.760 1.00 50.44 H new ATOM 342 N PHE A 25 31.186 -11.034 10.605 1.00 12.04 N ATOM 343 CA PHE A 25 30.448 -9.776 10.587 1.00 73.42 C ATOM 344 C PHE A 25 28.946 -10.026 10.686 1.00 54.12 C ATOM 345 O PHE A 25 28.487 -11.165 10.603 1.00 33.44 O ATOM 346 CB PHE A 25 30.763 -8.994 9.310 1.00 21.31 C ATOM 347 CG PHE A 25 31.961 -8.098 9.437 1.00 4.41 C ATOM 348 CD1 PHE A 25 33.144 -8.572 9.981 1.00 32.45 C ATOM 349 CD2 PHE A 25 31.906 -6.780 9.012 1.00 74.24 C ATOM 350 CE1 PHE A 25 34.248 -7.749 10.100 1.00 35.11 C ATOM 351 CE2 PHE A 25 33.006 -5.952 9.127 1.00 23.24 C ATOM 352 CZ PHE A 25 34.179 -6.438 9.671 1.00 2.24 C ATOM 0 H PHE A 25 31.069 -11.604 9.767 1.00 12.04 H new ATOM 0 HA PHE A 25 30.759 -9.188 11.451 1.00 73.42 H new ATOM 0 HB2 PHE A 25 30.930 -9.698 8.494 1.00 21.31 H new ATOM 0 HB3 PHE A 25 29.896 -8.392 9.039 1.00 21.31 H new ATOM 0 HD1 PHE A 25 33.204 -9.597 10.316 1.00 32.45 H new ATOM 0 HD2 PHE A 25 30.991 -6.395 8.585 1.00 74.24 H new ATOM 0 HE1 PHE A 25 35.163 -8.131 10.528 1.00 35.11 H new ATOM 0 HE2 PHE A 25 32.949 -4.927 8.792 1.00 23.24 H new ATOM 0 HZ PHE A 25 35.041 -5.794 9.761 1.00 2.24 H new ATOM 362 N LYS A 26 28.184 -8.952 10.864 1.00 40.33 N ATOM 363 CA LYS A 26 26.734 -9.051 10.974 1.00 75.33 C ATOM 364 C LYS A 26 26.055 -7.844 10.333 1.00 22.52 C ATOM 365 O LYS A 26 26.371 -6.700 10.656 1.00 40.44 O ATOM 366 CB LYS A 26 26.319 -9.162 12.443 1.00 62.53 C ATOM 367 CG LYS A 26 26.528 -10.547 13.030 1.00 21.44 C ATOM 368 CD LYS A 26 26.220 -10.574 14.518 1.00 2.02 C ATOM 369 CE LYS A 26 25.665 -11.923 14.948 1.00 14.03 C ATOM 370 NZ LYS A 26 25.008 -11.852 16.283 1.00 71.30 N ATOM 0 H LYS A 26 28.548 -8.002 10.935 1.00 40.33 H new ATOM 0 HA LYS A 26 26.416 -9.949 10.444 1.00 75.33 H new ATOM 0 HB2 LYS A 26 26.887 -8.439 13.028 1.00 62.53 H new ATOM 0 HB3 LYS A 26 25.267 -8.892 12.536 1.00 62.53 H new ATOM 0 HG2 LYS A 26 25.890 -11.263 12.512 1.00 21.44 H new ATOM 0 HG3 LYS A 26 27.559 -10.861 12.865 1.00 21.44 H new ATOM 0 HD2 LYS A 26 27.127 -10.356 15.082 1.00 2.02 H new ATOM 0 HD3 LYS A 26 25.500 -9.791 14.756 1.00 2.02 H new ATOM 0 HE2 LYS A 26 24.946 -12.273 14.207 1.00 14.03 H new ATOM 0 HE3 LYS A 26 26.472 -12.655 14.979 1.00 14.03 H new ATOM 0 HZ1 LYS A 26 24.643 -12.791 16.541 1.00 71.30 H new ATOM 0 HZ2 LYS A 26 25.700 -11.543 16.995 1.00 71.30 H new ATOM 0 HZ3 LYS A 26 24.221 -11.173 16.247 1.00 71.30 H new ATOM 384 N ALA A 27 25.121 -8.109 9.426 1.00 41.04 N ATOM 385 CA ALA A 27 24.396 -7.045 8.743 1.00 0.51 C ATOM 386 C ALA A 27 22.916 -7.387 8.609 1.00 0.33 C ATOM 387 O ALA A 27 22.549 -8.356 7.944 1.00 23.34 O ATOM 388 CB ALA A 27 25.006 -6.785 7.373 1.00 14.14 C ATOM 0 H ALA A 27 24.849 -9.052 9.147 1.00 41.04 H new ATOM 0 HA ALA A 27 24.480 -6.139 9.343 1.00 0.51 H new ATOM 0 HB1 ALA A 27 24.454 -5.988 6.874 1.00 14.14 H new ATOM 0 HB2 ALA A 27 26.048 -6.487 7.489 1.00 14.14 H new ATOM 0 HB3 ALA A 27 24.953 -7.693 6.773 1.00 14.14 H new ATOM 394 N THR A 28 22.068 -6.585 9.246 1.00 50.21 N ATOM 395 CA THR A 28 20.628 -6.804 9.200 1.00 51.25 C ATOM 396 C THR A 28 19.912 -5.621 8.556 1.00 23.43 C ATOM 397 O THR A 28 19.747 -4.572 9.176 1.00 41.52 O ATOM 398 CB THR A 28 20.049 -7.035 10.608 1.00 1.02 C ATOM 399 OG1 THR A 28 18.618 -7.004 10.561 1.00 23.20 O ATOM 400 CG2 THR A 28 20.552 -5.978 11.580 1.00 24.51 C ATOM 0 H THR A 28 22.354 -5.778 9.800 1.00 50.21 H new ATOM 0 HA THR A 28 20.464 -7.697 8.597 1.00 51.25 H new ATOM 0 HB THR A 28 20.380 -8.014 10.956 1.00 1.02 H new ATOM 0 HG1 THR A 28 18.258 -7.153 11.460 1.00 23.20 H new ATOM 0 HG21 THR A 28 20.130 -6.162 12.568 1.00 24.51 H new ATOM 0 HG22 THR A 28 21.640 -6.023 11.636 1.00 24.51 H new ATOM 0 HG23 THR A 28 20.248 -4.990 11.233 1.00 24.51 H new ATOM 408 N GLY A 29 19.488 -5.799 7.309 1.00 64.44 N ATOM 409 CA GLY A 29 18.795 -4.738 6.602 1.00 34.44 C ATOM 410 C GLY A 29 17.309 -4.717 6.903 1.00 50.21 C ATOM 411 O GLY A 29 16.671 -5.767 6.988 1.00 1.42 O ATOM 0 H GLY A 29 19.612 -6.659 6.775 1.00 64.44 H new ATOM 0 HA2 GLY A 29 19.232 -3.777 6.875 1.00 34.44 H new ATOM 0 HA3 GLY A 29 18.944 -4.862 5.529 1.00 34.44 H new ATOM 415 N ILE A 30 16.757 -3.519 7.065 1.00 22.04 N ATOM 416 CA ILE A 30 15.338 -3.366 7.359 1.00 53.12 C ATOM 417 C ILE A 30 14.662 -2.450 6.344 1.00 61.34 C ATOM 418 O ILE A 30 14.887 -1.240 6.337 1.00 12.23 O ATOM 419 CB ILE A 30 15.113 -2.800 8.773 1.00 1.43 C ATOM 420 CG1 ILE A 30 15.974 -1.553 8.990 1.00 20.40 C ATOM 421 CG2 ILE A 30 15.427 -3.856 9.823 1.00 53.34 C ATOM 422 CD1 ILE A 30 15.188 -0.350 9.461 1.00 33.22 C ATOM 0 H ILE A 30 17.271 -2.641 6.998 1.00 22.04 H new ATOM 0 HA ILE A 30 14.895 -4.360 7.300 1.00 53.12 H new ATOM 0 HB ILE A 30 14.065 -2.517 8.872 1.00 1.43 H new ATOM 0 HG12 ILE A 30 16.749 -1.780 9.722 1.00 20.40 H new ATOM 0 HG13 ILE A 30 16.480 -1.304 8.057 1.00 20.40 H new ATOM 0 HG21 ILE A 30 15.263 -3.440 10.817 1.00 53.34 H new ATOM 0 HG22 ILE A 30 14.776 -4.718 9.678 1.00 53.34 H new ATOM 0 HG23 ILE A 30 16.467 -4.167 9.727 1.00 53.34 H new ATOM 0 HD11 ILE A 30 15.862 0.496 9.594 1.00 33.22 H new ATOM 0 HD12 ILE A 30 14.430 -0.097 8.719 1.00 33.22 H new ATOM 0 HD13 ILE A 30 14.704 -0.580 10.410 1.00 33.22 H new ATOM 434 N PHE A 31 13.832 -3.036 5.487 1.00 32.13 N ATOM 435 CA PHE A 31 13.122 -2.273 4.467 1.00 32.13 C ATOM 436 C PHE A 31 11.662 -2.708 4.381 1.00 13.41 C ATOM 437 O PHE A 31 11.243 -3.657 5.045 1.00 65.02 O ATOM 438 CB PHE A 31 13.799 -2.447 3.106 1.00 32.43 C ATOM 439 CG PHE A 31 15.266 -2.752 3.201 1.00 24.44 C ATOM 440 CD1 PHE A 31 16.161 -1.787 3.633 1.00 45.30 C ATOM 441 CD2 PHE A 31 15.751 -4.005 2.860 1.00 52.32 C ATOM 442 CE1 PHE A 31 17.513 -2.065 3.721 1.00 55.44 C ATOM 443 CE2 PHE A 31 17.101 -4.289 2.946 1.00 51.52 C ATOM 444 CZ PHE A 31 17.983 -3.317 3.378 1.00 74.42 C ATOM 0 H PHE A 31 13.635 -4.037 5.479 1.00 32.13 H new ATOM 0 HA PHE A 31 13.153 -1.220 4.748 1.00 32.13 H new ATOM 0 HB2 PHE A 31 13.303 -3.252 2.563 1.00 32.43 H new ATOM 0 HB3 PHE A 31 13.662 -1.537 2.522 1.00 32.43 H new ATOM 0 HD1 PHE A 31 15.799 -0.806 3.904 1.00 45.30 H new ATOM 0 HD2 PHE A 31 15.066 -4.769 2.523 1.00 52.32 H new ATOM 0 HE1 PHE A 31 18.201 -1.303 4.058 1.00 55.44 H new ATOM 0 HE2 PHE A 31 17.466 -5.269 2.676 1.00 51.52 H new ATOM 0 HZ PHE A 31 19.038 -3.536 3.447 1.00 74.42 H new ATOM 454 N THR A 32 10.889 -2.005 3.558 1.00 31.23 N ATOM 455 CA THR A 32 9.476 -2.316 3.386 1.00 55.24 C ATOM 456 C THR A 32 9.287 -3.711 2.801 1.00 54.33 C ATOM 457 O THR A 32 8.189 -4.267 2.840 1.00 61.23 O ATOM 458 CB THR A 32 8.783 -1.289 2.470 1.00 74.33 C ATOM 459 OG1 THR A 32 9.016 0.037 2.956 1.00 41.22 O ATOM 460 CG2 THR A 32 7.286 -1.552 2.397 1.00 30.22 C ATOM 0 H THR A 32 11.218 -1.217 3.001 1.00 31.23 H new ATOM 0 HA THR A 32 9.020 -2.276 4.375 1.00 55.24 H new ATOM 0 HB THR A 32 9.202 -1.387 1.469 1.00 74.33 H new ATOM 0 HG1 THR A 32 8.574 0.684 2.367 1.00 41.22 H new ATOM 0 HG21 THR A 32 6.818 -0.814 1.745 1.00 30.22 H new ATOM 0 HG22 THR A 32 7.111 -2.551 1.999 1.00 30.22 H new ATOM 0 HG23 THR A 32 6.855 -1.479 3.395 1.00 30.22 H new ATOM 468 N ASP A 33 10.363 -4.271 2.260 1.00 52.14 N ATOM 469 CA ASP A 33 10.316 -5.603 1.668 1.00 53.12 C ATOM 470 C ASP A 33 10.651 -6.670 2.705 1.00 74.42 C ATOM 471 O ASP A 33 11.127 -7.752 2.364 1.00 32.44 O ATOM 472 CB ASP A 33 11.287 -5.696 0.490 1.00 2.42 C ATOM 473 CG ASP A 33 12.735 -5.568 0.922 1.00 32.34 C ATOM 474 OD1 ASP A 33 13.257 -6.523 1.534 1.00 62.54 O ATOM 475 OD2 ASP A 33 13.345 -4.513 0.650 1.00 10.13 O ATOM 0 H ASP A 33 11.279 -3.823 2.219 1.00 52.14 H new ATOM 0 HA ASP A 33 9.302 -5.778 1.307 1.00 53.12 H new ATOM 0 HB2 ASP A 33 11.146 -6.649 -0.019 1.00 2.42 H new ATOM 0 HB3 ASP A 33 11.055 -4.912 -0.231 1.00 2.42 H new ATOM 480 N ASN A 34 10.399 -6.357 3.972 1.00 70.13 N ATOM 481 CA ASN A 34 10.675 -7.289 5.059 1.00 44.00 C ATOM 482 C ASN A 34 12.173 -7.366 5.342 1.00 73.55 C ATOM 483 O ASN A 34 12.942 -7.881 4.530 1.00 21.11 O ATOM 484 CB ASN A 34 10.137 -8.679 4.716 1.00 62.51 C ATOM 485 CG ASN A 34 8.813 -8.621 3.979 1.00 31.31 C ATOM 486 OD1 ASN A 34 7.936 -7.827 4.318 1.00 51.51 O ATOM 487 ND2 ASN A 34 8.662 -9.466 2.965 1.00 5.34 N ATOM 0 H ASN A 34 10.004 -5.465 4.271 1.00 70.13 H new ATOM 0 HA ASN A 34 10.172 -6.924 5.954 1.00 44.00 H new ATOM 0 HB2 ASN A 34 10.868 -9.207 4.104 1.00 62.51 H new ATOM 0 HB3 ASN A 34 10.014 -9.255 5.633 1.00 62.51 H new ATOM 0 HD21 ASN A 34 7.792 -9.474 2.433 1.00 5.34 H new ATOM 0 HD22 ASN A 34 9.416 -10.107 2.719 1.00 5.34 H new ATOM 494 N SER A 35 12.579 -6.852 6.498 1.00 35.21 N ATOM 495 CA SER A 35 13.984 -6.860 6.887 1.00 71.01 C ATOM 496 C SER A 35 14.632 -8.200 6.553 1.00 45.00 C ATOM 497 O SER A 35 14.322 -9.221 7.164 1.00 22.51 O ATOM 498 CB SER A 35 14.123 -6.572 8.383 1.00 35.31 C ATOM 499 OG SER A 35 13.528 -7.600 9.157 1.00 12.53 O ATOM 0 H SER A 35 11.955 -6.425 7.182 1.00 35.21 H new ATOM 0 HA SER A 35 14.496 -6.078 6.325 1.00 71.01 H new ATOM 0 HB2 SER A 35 15.178 -6.481 8.643 1.00 35.31 H new ATOM 0 HB3 SER A 35 13.653 -5.617 8.618 1.00 35.31 H new ATOM 0 HG SER A 35 13.613 -8.455 8.686 1.00 12.53 H new ATOM 505 N ASN A 36 15.535 -8.186 5.578 1.00 64.42 N ATOM 506 CA ASN A 36 16.228 -9.400 5.161 1.00 64.12 C ATOM 507 C ASN A 36 17.689 -9.370 5.599 1.00 24.23 C ATOM 508 O ASN A 36 18.199 -8.335 6.027 1.00 13.52 O ATOM 509 CB ASN A 36 16.143 -9.565 3.642 1.00 4.40 C ATOM 510 CG ASN A 36 15.117 -10.602 3.229 1.00 14.54 C ATOM 511 OD1 ASN A 36 15.269 -11.790 3.514 1.00 12.41 O ATOM 512 ND2 ASN A 36 14.064 -10.155 2.554 1.00 34.35 N ATOM 0 H ASN A 36 15.804 -7.348 5.062 1.00 64.42 H new ATOM 0 HA ASN A 36 15.741 -10.249 5.640 1.00 64.12 H new ATOM 0 HB2 ASN A 36 15.889 -8.607 3.189 1.00 4.40 H new ATOM 0 HB3 ASN A 36 17.121 -9.852 3.255 1.00 4.40 H new ATOM 0 HD21 ASN A 36 13.340 -10.805 2.250 1.00 34.35 H new ATOM 0 HD22 ASN A 36 13.980 -9.161 2.340 1.00 34.35 H new ATOM 519 N SER A 37 18.358 -10.514 5.489 1.00 1.31 N ATOM 520 CA SER A 37 19.760 -10.620 5.877 1.00 13.10 C ATOM 521 C SER A 37 20.672 -10.134 4.755 1.00 2.52 C ATOM 522 O SER A 37 20.247 -10.003 3.607 1.00 25.30 O ATOM 523 CB SER A 37 20.103 -12.067 6.238 1.00 53.43 C ATOM 524 OG SER A 37 19.044 -12.943 5.893 1.00 14.14 O ATOM 0 H SER A 37 17.952 -11.380 5.135 1.00 1.31 H new ATOM 0 HA SER A 37 19.919 -9.988 6.750 1.00 13.10 H new ATOM 0 HB2 SER A 37 21.013 -12.369 5.719 1.00 53.43 H new ATOM 0 HB3 SER A 37 20.306 -12.140 7.306 1.00 53.43 H new ATOM 0 HG SER A 37 19.288 -13.862 6.132 1.00 14.14 H new ATOM 530 N ASP A 38 21.928 -9.867 5.097 1.00 51.54 N ATOM 531 CA ASP A 38 22.902 -9.395 4.119 1.00 23.33 C ATOM 532 C ASP A 38 23.195 -10.474 3.081 1.00 44.43 C ATOM 533 O ASP A 38 23.911 -11.437 3.357 1.00 41.20 O ATOM 534 CB ASP A 38 24.197 -8.978 4.819 1.00 50.14 C ATOM 535 CG ASP A 38 24.755 -7.678 4.275 1.00 44.42 C ATOM 536 OD1 ASP A 38 23.954 -6.772 3.963 1.00 40.32 O ATOM 537 OD2 ASP A 38 25.994 -7.565 4.162 1.00 32.41 O ATOM 0 H ASP A 38 22.295 -9.969 6.043 1.00 51.54 H new ATOM 0 HA ASP A 38 22.479 -8.530 3.608 1.00 23.33 H new ATOM 0 HB2 ASP A 38 24.011 -8.871 5.888 1.00 50.14 H new ATOM 0 HB3 ASP A 38 24.940 -9.767 4.702 1.00 50.14 H new ATOM 542 N ILE A 39 22.637 -10.305 1.887 1.00 70.21 N ATOM 543 CA ILE A 39 22.839 -11.264 0.808 1.00 73.03 C ATOM 544 C ILE A 39 22.117 -10.824 -0.461 1.00 54.41 C ATOM 545 O ILE A 39 22.628 -10.988 -1.569 1.00 73.34 O ATOM 546 CB ILE A 39 22.347 -12.669 1.203 1.00 11.25 C ATOM 547 CG1 ILE A 39 22.530 -13.644 0.039 1.00 61.12 C ATOM 548 CG2 ILE A 39 20.889 -12.618 1.634 1.00 13.42 C ATOM 549 CD1 ILE A 39 23.959 -13.741 -0.449 1.00 73.01 C ATOM 0 H ILE A 39 22.042 -9.514 1.642 1.00 70.21 H new ATOM 0 HA ILE A 39 23.912 -11.303 0.619 1.00 73.03 H new ATOM 0 HB ILE A 39 22.942 -13.022 2.045 1.00 11.25 H new ATOM 0 HG12 ILE A 39 22.192 -14.633 0.348 1.00 61.12 H new ATOM 0 HG13 ILE A 39 21.892 -13.333 -0.789 1.00 61.12 H new ATOM 0 HG21 ILE A 39 20.556 -13.619 1.910 1.00 13.42 H new ATOM 0 HG22 ILE A 39 20.786 -11.952 2.491 1.00 13.42 H new ATOM 0 HG23 ILE A 39 20.279 -12.247 0.810 1.00 13.42 H new ATOM 0 HD11 ILE A 39 24.014 -14.450 -1.275 1.00 73.01 H new ATOM 0 HD12 ILE A 39 24.295 -12.761 -0.789 1.00 73.01 H new ATOM 0 HD13 ILE A 39 24.599 -14.082 0.365 1.00 73.01 H new ATOM 561 N THR A 40 20.924 -10.260 -0.292 1.00 22.42 N ATOM 562 CA THR A 40 20.131 -9.795 -1.423 1.00 23.04 C ATOM 563 C THR A 40 20.814 -8.630 -2.130 1.00 73.13 C ATOM 564 O THR A 40 20.866 -8.583 -3.359 1.00 41.14 O ATOM 565 CB THR A 40 18.723 -9.357 -0.979 1.00 32.13 C ATOM 566 OG1 THR A 40 18.193 -10.295 -0.036 1.00 34.15 O ATOM 567 CG2 THR A 40 17.788 -9.249 -2.174 1.00 10.31 C ATOM 0 H THR A 40 20.486 -10.115 0.618 1.00 22.42 H new ATOM 0 HA THR A 40 20.042 -10.634 -2.113 1.00 23.04 H new ATOM 0 HB THR A 40 18.803 -8.376 -0.510 1.00 32.13 H new ATOM 0 HG1 THR A 40 17.298 -10.009 0.243 1.00 34.15 H new ATOM 0 HG21 THR A 40 16.800 -8.938 -1.836 1.00 10.31 H new ATOM 0 HG22 THR A 40 18.179 -8.513 -2.877 1.00 10.31 H new ATOM 0 HG23 THR A 40 17.715 -10.218 -2.667 1.00 10.31 H new ATOM 575 N ASP A 41 21.336 -7.693 -1.348 1.00 10.55 N ATOM 576 CA ASP A 41 22.017 -6.528 -1.900 1.00 5.41 C ATOM 577 C ASP A 41 23.522 -6.765 -1.977 1.00 45.53 C ATOM 578 O ASP A 41 24.233 -6.068 -2.701 1.00 50.24 O ATOM 579 CB ASP A 41 21.727 -5.289 -1.050 1.00 74.53 C ATOM 580 CG ASP A 41 21.855 -5.563 0.435 1.00 23.42 C ATOM 581 OD1 ASP A 41 22.890 -6.128 0.846 1.00 22.05 O ATOM 582 OD2 ASP A 41 20.921 -5.214 1.186 1.00 14.05 O ATOM 0 H ASP A 41 21.301 -7.717 -0.329 1.00 10.55 H new ATOM 0 HA ASP A 41 21.640 -6.363 -2.909 1.00 5.41 H new ATOM 0 HB2 ASP A 41 22.415 -4.491 -1.330 1.00 74.53 H new ATOM 0 HB3 ASP A 41 20.720 -4.932 -1.265 1.00 74.53 H new ATOM 587 N GLN A 42 24.001 -7.751 -1.226 1.00 14.13 N ATOM 588 CA GLN A 42 25.421 -8.078 -1.208 1.00 45.25 C ATOM 589 C GLN A 42 26.265 -6.827 -0.986 1.00 41.10 C ATOM 590 O GLN A 42 26.834 -6.274 -1.927 1.00 52.53 O ATOM 591 CB GLN A 42 25.827 -8.754 -2.519 1.00 73.22 C ATOM 592 CG GLN A 42 27.091 -9.590 -2.407 1.00 23.32 C ATOM 593 CD GLN A 42 27.017 -10.872 -3.214 1.00 5.45 C ATOM 594 OE1 GLN A 42 27.304 -10.882 -4.411 1.00 25.31 O ATOM 595 NE2 GLN A 42 26.631 -11.961 -2.560 1.00 63.33 N ATOM 0 H GLN A 42 23.426 -8.338 -0.622 1.00 14.13 H new ATOM 0 HA GLN A 42 25.599 -8.766 -0.382 1.00 45.25 H new ATOM 0 HB2 GLN A 42 25.010 -9.390 -2.858 1.00 73.22 H new ATOM 0 HB3 GLN A 42 25.974 -7.989 -3.282 1.00 73.22 H new ATOM 0 HG2 GLN A 42 27.943 -9.001 -2.746 1.00 23.32 H new ATOM 0 HG3 GLN A 42 27.269 -9.834 -1.360 1.00 23.32 H new ATOM 0 HE21 GLN A 42 26.403 -11.906 -1.567 1.00 63.33 H new ATOM 0 HE22 GLN A 42 26.563 -12.853 -3.050 1.00 63.33 H new ATOM 604 N VAL A 43 26.342 -6.385 0.266 1.00 73.55 N ATOM 605 CA VAL A 43 27.117 -5.200 0.612 1.00 35.00 C ATOM 606 C VAL A 43 28.536 -5.292 0.065 1.00 64.23 C ATOM 607 O VAL A 43 29.139 -6.366 0.048 1.00 5.11 O ATOM 608 CB VAL A 43 27.178 -4.996 2.137 1.00 23.05 C ATOM 609 CG1 VAL A 43 28.039 -3.789 2.481 1.00 75.44 C ATOM 610 CG2 VAL A 43 25.778 -4.843 2.711 1.00 32.23 C ATOM 0 H VAL A 43 25.877 -6.830 1.057 1.00 73.55 H new ATOM 0 HA VAL A 43 26.611 -4.347 0.159 1.00 35.00 H new ATOM 0 HB VAL A 43 27.635 -5.878 2.585 1.00 23.05 H new ATOM 0 HG11 VAL A 43 28.070 -3.661 3.563 1.00 75.44 H new ATOM 0 HG12 VAL A 43 29.050 -3.944 2.105 1.00 75.44 H new ATOM 0 HG13 VAL A 43 27.614 -2.896 2.022 1.00 75.44 H new ATOM 0 HG21 VAL A 43 25.841 -4.700 3.790 1.00 32.23 H new ATOM 0 HG22 VAL A 43 25.291 -3.979 2.258 1.00 32.23 H new ATOM 0 HG23 VAL A 43 25.197 -5.740 2.497 1.00 32.23 H new ATOM 620 N THR A 44 29.067 -4.158 -0.383 1.00 61.41 N ATOM 621 CA THR A 44 30.416 -4.110 -0.932 1.00 63.51 C ATOM 622 C THR A 44 31.427 -3.688 0.128 1.00 14.32 C ATOM 623 O THR A 44 31.419 -2.545 0.585 1.00 1.40 O ATOM 624 CB THR A 44 30.503 -3.139 -2.124 1.00 64.13 C ATOM 625 OG1 THR A 44 30.035 -1.843 -1.735 1.00 42.14 O ATOM 626 CG2 THR A 44 29.682 -3.649 -3.299 1.00 63.10 C ATOM 0 H THR A 44 28.583 -3.260 -0.376 1.00 61.41 H new ATOM 0 HA THR A 44 30.653 -5.117 -1.275 1.00 63.51 H new ATOM 0 HB THR A 44 31.546 -3.071 -2.433 1.00 64.13 H new ATOM 0 HG1 THR A 44 30.327 -1.651 -0.820 1.00 42.14 H new ATOM 0 HG21 THR A 44 29.759 -2.946 -4.129 1.00 63.10 H new ATOM 0 HG22 THR A 44 30.060 -4.623 -3.612 1.00 63.10 H new ATOM 0 HG23 THR A 44 28.638 -3.744 -3.000 1.00 63.10 H new ATOM 634 N TRP A 45 32.295 -4.616 0.515 1.00 55.44 N ATOM 635 CA TRP A 45 33.312 -4.338 1.522 1.00 44.34 C ATOM 636 C TRP A 45 34.667 -4.890 1.093 1.00 43.11 C ATOM 637 O TRP A 45 34.743 -5.810 0.278 1.00 4.04 O ATOM 638 CB TRP A 45 32.905 -4.940 2.868 1.00 42.54 C ATOM 639 CG TRP A 45 33.171 -6.411 2.965 1.00 63.30 C ATOM 640 CD1 TRP A 45 33.023 -7.338 1.973 1.00 31.42 C ATOM 641 CD2 TRP A 45 33.630 -7.125 4.118 1.00 10.34 C ATOM 642 NE1 TRP A 45 33.362 -8.585 2.441 1.00 73.33 N ATOM 643 CE2 TRP A 45 33.738 -8.481 3.753 1.00 5.05 C ATOM 644 CE3 TRP A 45 33.962 -6.750 5.423 1.00 13.21 C ATOM 645 CZ2 TRP A 45 34.163 -9.460 4.647 1.00 21.34 C ATOM 646 CZ3 TRP A 45 34.383 -7.723 6.309 1.00 34.02 C ATOM 647 CH2 TRP A 45 34.481 -9.065 5.918 1.00 22.03 C ATOM 0 H TRP A 45 32.315 -5.567 0.147 1.00 55.44 H new ATOM 0 HA TRP A 45 33.398 -3.256 1.627 1.00 44.34 H new ATOM 0 HB2 TRP A 45 33.444 -4.427 3.665 1.00 42.54 H new ATOM 0 HB3 TRP A 45 31.843 -4.758 3.033 1.00 42.54 H new ATOM 0 HD1 TRP A 45 32.689 -7.123 0.969 1.00 31.42 H new ATOM 0 HE1 TRP A 45 33.337 -9.448 1.898 1.00 73.33 H new ATOM 0 HE3 TRP A 45 33.891 -5.718 5.733 1.00 13.21 H new ATOM 0 HZ2 TRP A 45 34.239 -10.495 4.348 1.00 21.34 H new ATOM 0 HZ3 TRP A 45 34.641 -7.444 7.320 1.00 34.02 H new ATOM 0 HH2 TRP A 45 34.814 -9.802 6.634 1.00 22.03 H new ATOM 658 N ASP A 46 35.734 -4.323 1.646 1.00 60.31 N ATOM 659 CA ASP A 46 37.087 -4.761 1.321 1.00 12.42 C ATOM 660 C ASP A 46 38.035 -4.509 2.490 1.00 55.22 C ATOM 661 O ASP A 46 37.693 -3.801 3.437 1.00 22.13 O ATOM 662 CB ASP A 46 37.594 -4.037 0.072 1.00 34.25 C ATOM 663 CG ASP A 46 37.458 -4.880 -1.180 1.00 72.42 C ATOM 664 OD1 ASP A 46 36.368 -4.867 -1.790 1.00 34.15 O ATOM 665 OD2 ASP A 46 38.442 -5.553 -1.552 1.00 1.23 O ATOM 0 H ASP A 46 35.688 -3.560 2.321 1.00 60.31 H new ATOM 0 HA ASP A 46 37.058 -5.833 1.124 1.00 12.42 H new ATOM 0 HB2 ASP A 46 37.038 -3.108 -0.057 1.00 34.25 H new ATOM 0 HB3 ASP A 46 38.640 -3.766 0.212 1.00 34.25 H new ATOM 670 N SER A 47 39.226 -5.094 2.416 1.00 73.02 N ATOM 671 CA SER A 47 40.221 -4.937 3.470 1.00 62.23 C ATOM 672 C SER A 47 41.554 -4.471 2.893 1.00 65.43 C ATOM 673 O SER A 47 41.888 -4.776 1.748 1.00 63.03 O ATOM 674 CB SER A 47 40.411 -6.256 4.222 1.00 72.15 C ATOM 675 OG SER A 47 41.759 -6.423 4.626 1.00 35.04 O ATOM 0 H SER A 47 39.525 -5.681 1.637 1.00 73.02 H new ATOM 0 HA SER A 47 39.861 -4.179 4.166 1.00 62.23 H new ATOM 0 HB2 SER A 47 39.761 -6.277 5.097 1.00 72.15 H new ATOM 0 HB3 SER A 47 40.114 -7.088 3.584 1.00 72.15 H new ATOM 0 HG SER A 47 41.976 -7.378 4.655 1.00 35.04 H new ATOM 681 N SER A 48 42.313 -3.731 3.695 1.00 54.54 N ATOM 682 CA SER A 48 43.608 -3.218 3.264 1.00 62.53 C ATOM 683 C SER A 48 44.721 -3.714 4.182 1.00 0.13 C ATOM 684 O SER A 48 44.699 -3.472 5.388 1.00 34.43 O ATOM 685 CB SER A 48 43.594 -1.689 3.241 1.00 54.25 C ATOM 686 OG SER A 48 44.547 -1.184 2.322 1.00 51.42 O ATOM 0 H SER A 48 42.053 -3.473 4.647 1.00 54.54 H new ATOM 0 HA SER A 48 43.800 -3.587 2.256 1.00 62.53 H new ATOM 0 HB2 SER A 48 42.599 -1.335 2.969 1.00 54.25 H new ATOM 0 HB3 SER A 48 43.807 -1.305 4.239 1.00 54.25 H new ATOM 0 HG SER A 48 44.517 -0.204 2.325 1.00 51.42 H new ATOM 692 N ASN A 49 45.694 -4.409 3.601 1.00 12.25 N ATOM 693 CA ASN A 49 46.816 -4.940 4.367 1.00 51.41 C ATOM 694 C ASN A 49 48.144 -4.553 3.724 1.00 64.01 C ATOM 695 O ASN A 49 48.185 -4.098 2.580 1.00 31.31 O ATOM 696 CB ASN A 49 46.712 -6.462 4.474 1.00 64.30 C ATOM 697 CG ASN A 49 45.727 -6.901 5.540 1.00 74.34 C ATOM 698 OD1 ASN A 49 46.118 -7.288 6.641 1.00 15.21 O ATOM 699 ND2 ASN A 49 44.440 -6.844 5.215 1.00 2.41 N ATOM 0 H ASN A 49 45.728 -4.617 2.603 1.00 12.25 H new ATOM 0 HA ASN A 49 46.778 -4.509 5.368 1.00 51.41 H new ATOM 0 HB2 ASN A 49 46.407 -6.871 3.511 1.00 64.30 H new ATOM 0 HB3 ASN A 49 47.695 -6.876 4.699 1.00 64.30 H new ATOM 0 HD21 ASN A 49 43.730 -7.128 5.890 1.00 2.41 H new ATOM 0 HD22 ASN A 49 44.162 -6.516 4.290 1.00 2.41 H new ATOM 706 N THR A 50 49.231 -4.737 4.467 1.00 23.40 N ATOM 707 CA THR A 50 50.561 -4.408 3.971 1.00 44.02 C ATOM 708 C THR A 50 51.268 -5.645 3.429 1.00 61.21 C ATOM 709 O THR A 50 52.494 -5.672 3.316 1.00 73.12 O ATOM 710 CB THR A 50 51.431 -3.775 5.073 1.00 25.21 C ATOM 711 OG1 THR A 50 50.605 -3.066 6.003 1.00 20.42 O ATOM 712 CG2 THR A 50 52.458 -2.826 4.474 1.00 65.21 C ATOM 0 H THR A 50 49.216 -5.112 5.415 1.00 23.40 H new ATOM 0 HA THR A 50 50.428 -3.687 3.165 1.00 44.02 H new ATOM 0 HB THR A 50 51.958 -4.575 5.592 1.00 25.21 H new ATOM 0 HG1 THR A 50 51.166 -2.668 6.701 1.00 20.42 H new ATOM 0 HG21 THR A 50 53.060 -2.391 5.272 1.00 65.21 H new ATOM 0 HG22 THR A 50 53.104 -3.375 3.789 1.00 65.21 H new ATOM 0 HG23 THR A 50 51.946 -2.031 3.932 1.00 65.21 H new ATOM 720 N ASP A 51 50.488 -6.667 3.095 1.00 62.34 N ATOM 721 CA ASP A 51 51.040 -7.908 2.562 1.00 12.23 C ATOM 722 C ASP A 51 49.976 -8.693 1.801 1.00 2.01 C ATOM 723 O ASP A 51 50.063 -8.855 0.584 1.00 64.44 O ATOM 724 CB ASP A 51 51.611 -8.764 3.694 1.00 41.22 C ATOM 725 CG ASP A 51 52.400 -9.952 3.179 1.00 33.03 C ATOM 726 OD1 ASP A 51 52.916 -9.875 2.045 1.00 2.42 O ATOM 727 OD2 ASP A 51 52.500 -10.960 3.910 1.00 14.25 O ATOM 0 H ASP A 51 49.472 -6.661 3.184 1.00 62.34 H new ATOM 0 HA ASP A 51 51.842 -7.653 1.870 1.00 12.23 H new ATOM 0 HB2 ASP A 51 52.255 -8.148 4.322 1.00 41.22 H new ATOM 0 HB3 ASP A 51 50.796 -9.119 4.324 1.00 41.22 H new ATOM 732 N ILE A 52 48.974 -9.178 2.526 1.00 23.33 N ATOM 733 CA ILE A 52 47.894 -9.946 1.919 1.00 24.31 C ATOM 734 C ILE A 52 46.556 -9.626 2.575 1.00 54.41 C ATOM 735 O ILE A 52 46.482 -9.399 3.783 1.00 2.44 O ATOM 736 CB ILE A 52 48.154 -11.461 2.022 1.00 51.12 C ATOM 737 CG1 ILE A 52 49.469 -11.823 1.329 1.00 22.21 C ATOM 738 CG2 ILE A 52 46.997 -12.239 1.413 1.00 13.14 C ATOM 739 CD1 ILE A 52 49.451 -11.585 -0.165 1.00 21.24 C ATOM 0 H ILE A 52 48.887 -9.053 3.535 1.00 23.33 H new ATOM 0 HA ILE A 52 47.857 -9.662 0.867 1.00 24.31 H new ATOM 0 HB ILE A 52 48.234 -11.730 3.075 1.00 51.12 H new ATOM 0 HG12 ILE A 52 50.276 -11.240 1.772 1.00 22.21 H new ATOM 0 HG13 ILE A 52 49.693 -12.873 1.519 1.00 22.21 H new ATOM 0 HG21 ILE A 52 47.195 -13.308 1.493 1.00 13.14 H new ATOM 0 HG22 ILE A 52 46.077 -11.999 1.946 1.00 13.14 H new ATOM 0 HG23 ILE A 52 46.889 -11.968 0.363 1.00 13.14 H new ATOM 0 HD11 ILE A 52 50.416 -11.864 -0.589 1.00 21.24 H new ATOM 0 HD12 ILE A 52 48.666 -12.189 -0.620 1.00 21.24 H new ATOM 0 HD13 ILE A 52 49.258 -10.531 -0.363 1.00 21.24 H new ATOM 751 N LEU A 53 45.498 -9.610 1.771 1.00 21.21 N ATOM 752 CA LEU A 53 44.160 -9.319 2.273 1.00 34.41 C ATOM 753 C LEU A 53 43.108 -10.129 1.521 1.00 1.01 C ATOM 754 O LEU A 53 43.037 -10.084 0.293 1.00 21.30 O ATOM 755 CB LEU A 53 43.858 -7.825 2.143 1.00 23.33 C ATOM 756 CG LEU A 53 43.686 -7.297 0.719 1.00 53.31 C ATOM 757 CD1 LEU A 53 42.215 -7.279 0.330 1.00 25.44 C ATOM 758 CD2 LEU A 53 44.290 -5.906 0.589 1.00 31.02 C ATOM 0 H LEU A 53 45.541 -9.795 0.769 1.00 21.21 H new ATOM 0 HA LEU A 53 44.125 -9.600 3.326 1.00 34.41 H new ATOM 0 HB2 LEU A 53 42.947 -7.609 2.702 1.00 23.33 H new ATOM 0 HB3 LEU A 53 44.665 -7.269 2.620 1.00 23.33 H new ATOM 0 HG LEU A 53 44.213 -7.966 0.038 1.00 53.31 H new ATOM 0 HD11 LEU A 53 42.112 -6.900 -0.687 1.00 25.44 H new ATOM 0 HD12 LEU A 53 41.812 -8.290 0.383 1.00 25.44 H new ATOM 0 HD13 LEU A 53 41.665 -6.633 1.015 1.00 25.44 H new ATOM 0 HD21 LEU A 53 44.158 -5.546 -0.431 1.00 31.02 H new ATOM 0 HD22 LEU A 53 43.792 -5.227 1.281 1.00 31.02 H new ATOM 0 HD23 LEU A 53 45.353 -5.948 0.825 1.00 31.02 H new ATOM 770 N SER A 54 42.292 -10.867 2.267 1.00 51.12 N ATOM 771 CA SER A 54 41.245 -11.688 1.671 1.00 54.03 C ATOM 772 C SER A 54 39.959 -11.607 2.488 1.00 2.05 C ATOM 773 O SER A 54 39.923 -12.014 3.650 1.00 61.41 O ATOM 774 CB SER A 54 41.705 -13.143 1.566 1.00 24.14 C ATOM 775 OG SER A 54 42.137 -13.633 2.824 1.00 4.41 O ATOM 0 H SER A 54 42.336 -10.913 3.285 1.00 51.12 H new ATOM 0 HA SER A 54 41.044 -11.305 0.670 1.00 54.03 H new ATOM 0 HB2 SER A 54 40.888 -13.760 1.193 1.00 24.14 H new ATOM 0 HB3 SER A 54 42.518 -13.220 0.844 1.00 24.14 H new ATOM 0 HG SER A 54 41.945 -12.968 3.518 1.00 4.41 H new ATOM 781 N ILE A 55 38.907 -11.078 1.874 1.00 73.34 N ATOM 782 CA ILE A 55 37.619 -10.945 2.543 1.00 10.52 C ATOM 783 C ILE A 55 36.512 -11.626 1.747 1.00 73.52 C ATOM 784 O ILE A 55 36.327 -11.353 0.561 1.00 11.40 O ATOM 785 CB ILE A 55 37.246 -9.465 2.756 1.00 22.54 C ATOM 786 CG1 ILE A 55 37.954 -8.585 1.725 1.00 42.32 C ATOM 787 CG2 ILE A 55 37.603 -9.028 4.169 1.00 3.40 C ATOM 788 CD1 ILE A 55 37.450 -8.783 0.313 1.00 74.43 C ATOM 0 H ILE A 55 38.921 -10.734 0.914 1.00 73.34 H new ATOM 0 HA ILE A 55 37.716 -11.431 3.514 1.00 10.52 H new ATOM 0 HB ILE A 55 36.170 -9.353 2.623 1.00 22.54 H new ATOM 0 HG12 ILE A 55 37.827 -7.539 2.004 1.00 42.32 H new ATOM 0 HG13 ILE A 55 39.023 -8.795 1.753 1.00 42.32 H new ATOM 0 HG21 ILE A 55 37.334 -7.981 4.305 1.00 3.40 H new ATOM 0 HG22 ILE A 55 37.057 -9.639 4.888 1.00 3.40 H new ATOM 0 HG23 ILE A 55 38.674 -9.151 4.328 1.00 3.40 H new ATOM 0 HD11 ILE A 55 37.997 -8.127 -0.364 1.00 74.43 H new ATOM 0 HD12 ILE A 55 37.602 -9.820 0.015 1.00 74.43 H new ATOM 0 HD13 ILE A 55 36.387 -8.545 0.269 1.00 74.43 H new ATOM 800 N SER A 56 35.776 -12.515 2.407 1.00 2.05 N ATOM 801 CA SER A 56 34.688 -13.238 1.761 1.00 75.11 C ATOM 802 C SER A 56 33.394 -13.100 2.559 1.00 64.04 C ATOM 803 O SER A 56 33.273 -13.632 3.661 1.00 74.31 O ATOM 804 CB SER A 56 35.050 -14.717 1.607 1.00 53.40 C ATOM 805 OG SER A 56 35.724 -15.199 2.756 1.00 14.14 O ATOM 0 H SER A 56 35.914 -12.751 3.390 1.00 2.05 H new ATOM 0 HA SER A 56 34.533 -12.804 0.773 1.00 75.11 H new ATOM 0 HB2 SER A 56 34.145 -15.301 1.441 1.00 53.40 H new ATOM 0 HB3 SER A 56 35.681 -14.851 0.728 1.00 53.40 H new ATOM 0 HG SER A 56 35.262 -14.886 3.562 1.00 14.14 H new ATOM 811 N ASN A 57 32.431 -12.381 1.992 1.00 40.30 N ATOM 812 CA ASN A 57 31.146 -12.171 2.650 1.00 63.14 C ATOM 813 C ASN A 57 30.237 -13.383 2.466 1.00 3.45 C ATOM 814 O ASN A 57 29.682 -13.597 1.390 1.00 75.23 O ATOM 815 CB ASN A 57 30.464 -10.919 2.095 1.00 60.03 C ATOM 816 CG ASN A 57 30.677 -9.705 2.978 1.00 35.14 C ATOM 817 OD1 ASN A 57 31.196 -9.815 4.089 1.00 33.33 O ATOM 818 ND2 ASN A 57 30.275 -8.538 2.487 1.00 34.55 N ATOM 0 H ASN A 57 32.516 -11.934 1.079 1.00 40.30 H new ATOM 0 HA ASN A 57 31.329 -12.034 3.716 1.00 63.14 H new ATOM 0 HB2 ASN A 57 30.849 -10.711 1.097 1.00 60.03 H new ATOM 0 HB3 ASN A 57 29.395 -11.106 1.991 1.00 60.03 H new ATOM 0 HD21 ASN A 57 30.392 -7.686 3.036 1.00 34.55 H new ATOM 0 HD22 ASN A 57 29.850 -8.494 1.561 1.00 34.55 H new ATOM 825 N ALA A 58 30.091 -14.171 3.526 1.00 33.12 N ATOM 826 CA ALA A 58 29.247 -15.359 3.484 1.00 65.25 C ATOM 827 C ALA A 58 27.865 -15.032 2.930 1.00 40.34 C ATOM 828 O ALA A 58 27.183 -14.135 3.426 1.00 23.11 O ATOM 829 CB ALA A 58 29.130 -15.973 4.871 1.00 64.43 C ATOM 0 H ALA A 58 30.546 -14.008 4.424 1.00 33.12 H new ATOM 0 HA ALA A 58 29.715 -16.083 2.817 1.00 65.25 H new ATOM 0 HB1 ALA A 58 28.497 -16.859 4.824 1.00 64.43 H new ATOM 0 HB2 ALA A 58 30.120 -16.253 5.230 1.00 64.43 H new ATOM 0 HB3 ALA A 58 28.689 -15.247 5.554 1.00 64.43 H new ATOM 835 N SER A 59 27.457 -15.764 1.898 1.00 44.44 N ATOM 836 CA SER A 59 26.158 -15.547 1.273 1.00 34.51 C ATOM 837 C SER A 59 25.037 -15.646 2.304 1.00 52.44 C ATOM 838 O SER A 59 23.971 -15.052 2.136 1.00 20.52 O ATOM 839 CB SER A 59 25.929 -16.567 0.156 1.00 61.13 C ATOM 840 OG SER A 59 26.609 -17.781 0.426 1.00 13.10 O ATOM 0 H SER A 59 28.008 -16.512 1.477 1.00 44.44 H new ATOM 0 HA SER A 59 26.150 -14.544 0.847 1.00 34.51 H new ATOM 0 HB2 SER A 59 24.862 -16.760 0.049 1.00 61.13 H new ATOM 0 HB3 SER A 59 26.275 -16.156 -0.792 1.00 61.13 H new ATOM 0 HG SER A 59 26.445 -18.417 -0.302 1.00 13.10 H new ATOM 846 N ASP A 60 25.286 -16.399 3.369 1.00 11.42 N ATOM 847 CA ASP A 60 24.299 -16.575 4.429 1.00 43.15 C ATOM 848 C ASP A 60 23.804 -15.226 4.939 1.00 13.44 C ATOM 849 O ASP A 60 22.653 -14.851 4.717 1.00 75.15 O ATOM 850 CB ASP A 60 24.897 -17.383 5.582 1.00 54.23 C ATOM 851 CG ASP A 60 23.846 -17.838 6.575 1.00 75.32 C ATOM 852 OD1 ASP A 60 23.135 -16.972 7.125 1.00 12.22 O ATOM 853 OD2 ASP A 60 23.734 -19.061 6.802 1.00 22.52 O ATOM 0 H ASP A 60 26.163 -16.898 3.522 1.00 11.42 H new ATOM 0 HA ASP A 60 23.450 -17.120 4.016 1.00 43.15 H new ATOM 0 HB2 ASP A 60 25.415 -18.254 5.181 1.00 54.23 H new ATOM 0 HB3 ASP A 60 25.642 -16.778 6.098 1.00 54.23 H new ATOM 858 N SER A 61 24.680 -14.500 5.627 1.00 64.44 N ATOM 859 CA SER A 61 24.331 -13.195 6.174 1.00 55.23 C ATOM 860 C SER A 61 25.529 -12.560 6.872 1.00 11.43 C ATOM 861 O SER A 61 25.805 -11.372 6.700 1.00 11.21 O ATOM 862 CB SER A 61 23.164 -13.325 7.155 1.00 21.40 C ATOM 863 OG SER A 61 23.629 -13.420 8.490 1.00 1.23 O ATOM 0 H SER A 61 25.638 -14.795 5.819 1.00 64.44 H new ATOM 0 HA SER A 61 24.031 -12.551 5.347 1.00 55.23 H new ATOM 0 HB2 SER A 61 22.504 -12.463 7.057 1.00 21.40 H new ATOM 0 HB3 SER A 61 22.574 -14.208 6.908 1.00 21.40 H new ATOM 0 HG SER A 61 22.864 -13.500 9.098 1.00 1.23 H new ATOM 869 N HIS A 62 26.238 -13.360 7.662 1.00 42.11 N ATOM 870 CA HIS A 62 27.408 -12.877 8.387 1.00 21.31 C ATOM 871 C HIS A 62 28.645 -12.892 7.494 1.00 22.22 C ATOM 872 O HIS A 62 28.986 -13.917 6.906 1.00 73.44 O ATOM 873 CB HIS A 62 27.652 -13.733 9.631 1.00 42.33 C ATOM 874 CG HIS A 62 27.756 -15.198 9.339 1.00 74.11 C ATOM 875 ND1 HIS A 62 28.952 -15.829 9.068 1.00 15.03 N ATOM 876 CD2 HIS A 62 26.803 -16.158 9.278 1.00 63.01 C ATOM 877 CE1 HIS A 62 28.730 -17.113 8.852 1.00 61.22 C ATOM 878 NE2 HIS A 62 27.434 -17.339 8.973 1.00 4.05 N ATOM 0 H HIS A 62 26.023 -14.345 7.816 1.00 42.11 H new ATOM 0 HA HIS A 62 27.216 -11.849 8.694 1.00 21.31 H new ATOM 0 HB2 HIS A 62 28.570 -13.401 10.116 1.00 42.33 H new ATOM 0 HB3 HIS A 62 26.840 -13.569 10.340 1.00 42.33 H new ATOM 0 HD2 HIS A 62 25.744 -16.021 9.439 1.00 63.01 H new ATOM 0 HE1 HIS A 62 29.481 -17.853 8.616 1.00 61.22 H new ATOM 0 HE2 HIS A 62 26.977 -18.243 8.859 1.00 4.05 H new ATOM 886 N GLY A 63 29.314 -11.747 7.398 1.00 54.23 N ATOM 887 CA GLY A 63 30.505 -11.650 6.574 1.00 35.11 C ATOM 888 C GLY A 63 31.718 -12.274 7.234 1.00 61.43 C ATOM 889 O GLY A 63 31.695 -12.586 8.425 1.00 31.32 O ATOM 0 H GLY A 63 29.052 -10.885 7.876 1.00 54.23 H new ATOM 0 HA2 GLY A 63 30.323 -12.141 5.618 1.00 35.11 H new ATOM 0 HA3 GLY A 63 30.711 -10.601 6.360 1.00 35.11 H new ATOM 893 N LEU A 64 32.781 -12.459 6.459 1.00 60.32 N ATOM 894 CA LEU A 64 34.010 -13.053 6.974 1.00 10.45 C ATOM 895 C LEU A 64 35.235 -12.322 6.435 1.00 65.44 C ATOM 896 O LEU A 64 35.441 -12.246 5.224 1.00 64.12 O ATOM 897 CB LEU A 64 34.080 -14.535 6.602 1.00 53.55 C ATOM 898 CG LEU A 64 32.743 -15.217 6.309 1.00 51.43 C ATOM 899 CD1 LEU A 64 32.967 -16.585 5.685 1.00 63.30 C ATOM 900 CD2 LEU A 64 31.916 -15.337 7.580 1.00 32.14 C ATOM 0 H LEU A 64 32.817 -12.206 5.471 1.00 60.32 H new ATOM 0 HA LEU A 64 34.002 -12.959 8.060 1.00 10.45 H new ATOM 0 HB2 LEU A 64 34.718 -14.639 5.725 1.00 53.55 H new ATOM 0 HB3 LEU A 64 34.568 -15.071 7.416 1.00 53.55 H new ATOM 0 HG LEU A 64 32.192 -14.602 5.598 1.00 51.43 H new ATOM 0 HD11 LEU A 64 32.004 -17.055 5.484 1.00 63.30 H new ATOM 0 HD12 LEU A 64 33.519 -16.473 4.752 1.00 63.30 H new ATOM 0 HD13 LEU A 64 33.539 -17.209 6.372 1.00 63.30 H new ATOM 0 HD21 LEU A 64 30.968 -15.825 7.353 1.00 32.14 H new ATOM 0 HD22 LEU A 64 32.462 -15.929 8.315 1.00 32.14 H new ATOM 0 HD23 LEU A 64 31.725 -14.343 7.985 1.00 32.14 H new ATOM 912 N ALA A 65 36.047 -11.789 7.342 1.00 42.24 N ATOM 913 CA ALA A 65 37.255 -11.069 6.957 1.00 54.33 C ATOM 914 C ALA A 65 38.506 -11.820 7.398 1.00 61.13 C ATOM 915 O ALA A 65 38.657 -12.158 8.572 1.00 45.04 O ATOM 916 CB ALA A 65 37.243 -9.666 7.547 1.00 63.23 C ATOM 0 H ALA A 65 35.890 -11.842 8.348 1.00 42.24 H new ATOM 0 HA ALA A 65 37.273 -10.994 5.870 1.00 54.33 H new ATOM 0 HB1 ALA A 65 38.151 -9.139 7.252 1.00 63.23 H new ATOM 0 HB2 ALA A 65 36.372 -9.124 7.178 1.00 63.23 H new ATOM 0 HB3 ALA A 65 37.197 -9.729 8.634 1.00 63.23 H new ATOM 922 N SER A 66 39.400 -12.079 6.449 1.00 62.31 N ATOM 923 CA SER A 66 40.637 -12.795 6.739 1.00 30.22 C ATOM 924 C SER A 66 41.852 -11.970 6.328 1.00 41.55 C ATOM 925 O SER A 66 41.926 -11.467 5.205 1.00 32.35 O ATOM 926 CB SER A 66 40.653 -14.143 6.015 1.00 11.11 C ATOM 927 OG SER A 66 41.703 -14.966 6.492 1.00 3.32 O ATOM 0 H SER A 66 39.291 -11.804 5.473 1.00 62.31 H new ATOM 0 HA SER A 66 40.684 -12.967 7.814 1.00 30.22 H new ATOM 0 HB2 SER A 66 39.698 -14.648 6.158 1.00 11.11 H new ATOM 0 HB3 SER A 66 40.771 -13.982 4.943 1.00 11.11 H new ATOM 0 HG SER A 66 41.690 -15.822 6.015 1.00 3.32 H new ATOM 933 N THR A 67 42.805 -11.833 7.244 1.00 1.24 N ATOM 934 CA THR A 67 44.017 -11.068 6.979 1.00 12.31 C ATOM 935 C THR A 67 45.232 -11.720 7.628 1.00 10.25 C ATOM 936 O THR A 67 45.143 -12.265 8.730 1.00 51.43 O ATOM 937 CB THR A 67 43.890 -9.620 7.491 1.00 65.25 C ATOM 938 OG1 THR A 67 44.004 -9.593 8.918 1.00 60.33 O ATOM 939 CG2 THR A 67 42.561 -9.012 7.071 1.00 73.20 C ATOM 0 H THR A 67 42.761 -12.242 8.177 1.00 1.24 H new ATOM 0 HA THR A 67 44.151 -11.053 5.897 1.00 12.31 H new ATOM 0 HB THR A 67 44.695 -9.031 7.052 1.00 65.25 H new ATOM 0 HG1 THR A 67 43.924 -8.669 9.235 1.00 60.33 H new ATOM 0 HG21 THR A 67 42.494 -7.990 7.444 1.00 73.20 H new ATOM 0 HG22 THR A 67 42.491 -9.007 5.983 1.00 73.20 H new ATOM 0 HG23 THR A 67 41.744 -9.603 7.484 1.00 73.20 H new ATOM 947 N LEU A 68 46.367 -11.661 6.941 1.00 2.21 N ATOM 948 CA LEU A 68 47.602 -12.245 7.452 1.00 62.51 C ATOM 949 C LEU A 68 48.807 -11.389 7.075 1.00 52.01 C ATOM 950 O LEU A 68 49.532 -11.702 6.132 1.00 4.20 O ATOM 951 CB LEU A 68 47.781 -13.664 6.909 1.00 72.24 C ATOM 952 CG LEU A 68 48.737 -14.567 7.690 1.00 54.33 C ATOM 953 CD1 LEU A 68 48.333 -16.026 7.542 1.00 4.44 C ATOM 954 CD2 LEU A 68 50.170 -14.358 7.222 1.00 55.32 C ATOM 0 H LEU A 68 46.458 -11.215 6.028 1.00 2.21 H new ATOM 0 HA LEU A 68 47.533 -12.284 8.539 1.00 62.51 H new ATOM 0 HB2 LEU A 68 46.803 -14.145 6.877 1.00 72.24 H new ATOM 0 HB3 LEU A 68 48.136 -13.596 5.881 1.00 72.24 H new ATOM 0 HG LEU A 68 48.678 -14.300 8.745 1.00 54.33 H new ATOM 0 HD11 LEU A 68 49.024 -16.654 8.104 1.00 4.44 H new ATOM 0 HD12 LEU A 68 47.322 -16.165 7.926 1.00 4.44 H new ATOM 0 HD13 LEU A 68 48.362 -16.307 6.489 1.00 4.44 H new ATOM 0 HD21 LEU A 68 50.836 -15.009 7.789 1.00 55.32 H new ATOM 0 HD22 LEU A 68 50.245 -14.597 6.161 1.00 55.32 H new ATOM 0 HD23 LEU A 68 50.457 -13.318 7.381 1.00 55.32 H new ATOM 966 N ASN A 69 49.014 -10.308 7.820 1.00 41.01 N ATOM 967 CA ASN A 69 50.132 -9.407 7.565 1.00 42.12 C ATOM 968 C ASN A 69 50.641 -8.790 8.864 1.00 24.51 C ATOM 969 O ASN A 69 50.057 -8.992 9.928 1.00 23.44 O ATOM 970 CB ASN A 69 49.712 -8.302 6.593 1.00 23.12 C ATOM 971 CG ASN A 69 49.200 -7.067 7.309 1.00 44.24 C ATOM 972 OD1 ASN A 69 48.254 -7.138 8.093 1.00 5.34 O ATOM 973 ND2 ASN A 69 49.825 -5.926 7.040 1.00 71.12 N ATOM 0 H ASN A 69 48.422 -10.035 8.605 1.00 41.01 H new ATOM 0 HA ASN A 69 50.939 -9.987 7.118 1.00 42.12 H new ATOM 0 HB2 ASN A 69 50.562 -8.030 5.967 1.00 23.12 H new ATOM 0 HB3 ASN A 69 48.936 -8.682 5.929 1.00 23.12 H new ATOM 0 HD21 ASN A 69 49.525 -5.062 7.491 1.00 71.12 H new ATOM 0 HD22 ASN A 69 50.605 -5.914 6.383 1.00 71.12 H new ATOM 980 N GLN A 70 51.733 -8.038 8.768 1.00 72.11 N ATOM 981 CA GLN A 70 52.320 -7.392 9.936 1.00 63.42 C ATOM 982 C GLN A 70 51.988 -5.904 9.960 1.00 75.20 C ATOM 983 O GLN A 70 52.690 -5.091 9.362 1.00 44.13 O ATOM 984 CB GLN A 70 53.837 -7.588 9.944 1.00 64.03 C ATOM 985 CG GLN A 70 54.504 -7.229 8.626 1.00 41.14 C ATOM 986 CD GLN A 70 54.956 -8.450 7.848 1.00 15.43 C ATOM 987 OE1 GLN A 70 55.731 -9.266 8.347 1.00 3.51 O ATOM 988 NE2 GLN A 70 54.471 -8.582 6.619 1.00 10.41 N ATOM 0 H GLN A 70 52.229 -7.861 7.894 1.00 72.11 H new ATOM 0 HA GLN A 70 51.896 -7.854 10.827 1.00 63.42 H new ATOM 0 HB2 GLN A 70 54.269 -6.979 10.738 1.00 64.03 H new ATOM 0 HB3 GLN A 70 54.059 -8.628 10.183 1.00 64.03 H new ATOM 0 HG2 GLN A 70 53.808 -6.652 8.017 1.00 41.14 H new ATOM 0 HG3 GLN A 70 55.364 -6.589 8.821 1.00 41.14 H new ATOM 0 HE21 GLN A 70 53.831 -7.881 6.245 1.00 10.41 H new ATOM 0 HE22 GLN A 70 54.738 -9.384 6.049 1.00 10.41 H new ATOM 997 N GLY A 71 50.910 -5.555 10.656 1.00 12.10 N ATOM 998 CA GLY A 71 50.502 -4.165 10.745 1.00 43.14 C ATOM 999 C GLY A 71 49.032 -4.012 11.082 1.00 44.12 C ATOM 1000 O GLY A 71 48.447 -4.871 11.740 1.00 4.54 O ATOM 0 H GLY A 71 50.312 -6.210 11.160 1.00 12.10 H new ATOM 0 HA2 GLY A 71 51.100 -3.662 11.505 1.00 43.14 H new ATOM 0 HA3 GLY A 71 50.708 -3.668 9.797 1.00 43.14 H new ATOM 1004 N ASN A 72 48.434 -2.914 10.630 1.00 25.14 N ATOM 1005 CA ASN A 72 47.024 -2.650 10.890 1.00 31.32 C ATOM 1006 C ASN A 72 46.219 -2.669 9.594 1.00 22.21 C ATOM 1007 O ASN A 72 46.717 -2.285 8.536 1.00 40.31 O ATOM 1008 CB ASN A 72 46.856 -1.299 11.588 1.00 44.11 C ATOM 1009 CG ASN A 72 47.158 -0.132 10.668 1.00 40.23 C ATOM 1010 OD1 ASN A 72 48.236 -0.055 10.078 1.00 52.44 O ATOM 1011 ND2 ASN A 72 46.204 0.784 10.542 1.00 65.35 N ATOM 0 H ASN A 72 48.904 -2.193 10.082 1.00 25.14 H new ATOM 0 HA ASN A 72 46.647 -3.438 11.543 1.00 31.32 H new ATOM 0 HB2 ASN A 72 45.836 -1.210 11.961 1.00 44.11 H new ATOM 0 HB3 ASN A 72 47.516 -1.256 12.454 1.00 44.11 H new ATOM 0 HD21 ASN A 72 46.350 1.592 9.937 1.00 65.35 H new ATOM 0 HD22 ASN A 72 45.326 0.679 11.050 1.00 65.35 H new ATOM 1018 N VAL A 73 44.972 -3.119 9.685 1.00 54.00 N ATOM 1019 CA VAL A 73 44.097 -3.187 8.521 1.00 54.33 C ATOM 1020 C VAL A 73 42.813 -2.397 8.751 1.00 2.31 C ATOM 1021 O VAL A 73 42.250 -2.412 9.846 1.00 55.44 O ATOM 1022 CB VAL A 73 43.735 -4.643 8.174 1.00 32.24 C ATOM 1023 CG1 VAL A 73 43.286 -5.393 9.420 1.00 52.53 C ATOM 1024 CG2 VAL A 73 42.658 -4.683 7.101 1.00 70.43 C ATOM 0 H VAL A 73 44.545 -3.442 10.553 1.00 54.00 H new ATOM 0 HA VAL A 73 44.646 -2.749 7.688 1.00 54.33 H new ATOM 0 HB VAL A 73 44.624 -5.137 7.782 1.00 32.24 H new ATOM 0 HG11 VAL A 73 43.034 -6.420 9.156 1.00 52.53 H new ATOM 0 HG12 VAL A 73 44.092 -5.394 10.154 1.00 52.53 H new ATOM 0 HG13 VAL A 73 42.410 -4.902 9.844 1.00 52.53 H new ATOM 0 HG21 VAL A 73 42.415 -5.720 6.868 1.00 70.43 H new ATOM 0 HG22 VAL A 73 41.765 -4.173 7.463 1.00 70.43 H new ATOM 0 HG23 VAL A 73 43.021 -4.185 6.202 1.00 70.43 H new ATOM 1034 N LYS A 74 42.355 -1.707 7.712 1.00 41.10 N ATOM 1035 CA LYS A 74 41.136 -0.911 7.799 1.00 64.14 C ATOM 1036 C LYS A 74 40.077 -1.431 6.832 1.00 62.10 C ATOM 1037 O LYS A 74 40.284 -1.446 5.618 1.00 14.24 O ATOM 1038 CB LYS A 74 41.440 0.558 7.497 1.00 13.33 C ATOM 1039 CG LYS A 74 40.919 1.516 8.555 1.00 42.10 C ATOM 1040 CD LYS A 74 41.557 1.252 9.909 1.00 74.12 C ATOM 1041 CE LYS A 74 41.155 2.306 10.929 1.00 34.33 C ATOM 1042 NZ LYS A 74 39.678 2.489 10.985 1.00 52.12 N ATOM 0 H LYS A 74 42.810 -1.683 6.799 1.00 41.10 H new ATOM 0 HA LYS A 74 40.748 -0.995 8.814 1.00 64.14 H new ATOM 0 HB2 LYS A 74 42.518 0.685 7.403 1.00 13.33 H new ATOM 0 HB3 LYS A 74 41.003 0.821 6.534 1.00 13.33 H new ATOM 0 HG2 LYS A 74 41.123 2.542 8.250 1.00 42.10 H new ATOM 0 HG3 LYS A 74 39.837 1.416 8.636 1.00 42.10 H new ATOM 0 HD2 LYS A 74 41.260 0.266 10.266 1.00 74.12 H new ATOM 0 HD3 LYS A 74 42.642 1.240 9.805 1.00 74.12 H new ATOM 0 HE2 LYS A 74 41.523 2.017 11.914 1.00 34.33 H new ATOM 0 HE3 LYS A 74 41.629 3.255 10.677 1.00 34.33 H new ATOM 0 HZ1 LYS A 74 39.427 3.028 11.838 1.00 52.12 H new ATOM 0 HZ2 LYS A 74 39.360 3.008 10.142 1.00 52.12 H new ATOM 0 HZ3 LYS A 74 39.214 1.559 11.014 1.00 52.12 H new ATOM 1056 N VAL A 75 38.942 -1.856 7.378 1.00 51.24 N ATOM 1057 CA VAL A 75 37.849 -2.374 6.563 1.00 2.01 C ATOM 1058 C VAL A 75 36.701 -1.374 6.483 1.00 22.14 C ATOM 1059 O VAL A 75 36.298 -0.792 7.491 1.00 3.11 O ATOM 1060 CB VAL A 75 37.317 -3.707 7.121 1.00 35.12 C ATOM 1061 CG1 VAL A 75 36.198 -4.245 6.242 1.00 62.52 C ATOM 1062 CG2 VAL A 75 38.444 -4.721 7.245 1.00 51.04 C ATOM 0 H VAL A 75 38.755 -1.852 8.381 1.00 51.24 H new ATOM 0 HA VAL A 75 38.251 -2.541 5.564 1.00 2.01 H new ATOM 0 HB VAL A 75 36.910 -3.528 8.116 1.00 35.12 H new ATOM 0 HG11 VAL A 75 35.835 -5.187 6.652 1.00 62.52 H new ATOM 0 HG12 VAL A 75 35.381 -3.524 6.211 1.00 62.52 H new ATOM 0 HG13 VAL A 75 36.575 -4.410 5.233 1.00 62.52 H new ATOM 0 HG21 VAL A 75 38.050 -5.657 7.641 1.00 51.04 H new ATOM 0 HG22 VAL A 75 38.883 -4.899 6.263 1.00 51.04 H new ATOM 0 HG23 VAL A 75 39.208 -4.335 7.920 1.00 51.04 H new ATOM 1072 N THR A 76 36.176 -1.179 5.278 1.00 43.33 N ATOM 1073 CA THR A 76 35.075 -0.249 5.065 1.00 15.43 C ATOM 1074 C THR A 76 34.098 -0.782 4.023 1.00 1.31 C ATOM 1075 O THR A 76 34.499 -1.434 3.060 1.00 71.41 O ATOM 1076 CB THR A 76 35.585 1.133 4.615 1.00 53.23 C ATOM 1077 OG1 THR A 76 37.001 1.088 4.406 1.00 54.41 O ATOM 1078 CG2 THR A 76 35.253 2.197 5.651 1.00 61.33 C ATOM 0 H THR A 76 36.496 -1.653 4.434 1.00 43.33 H new ATOM 0 HA THR A 76 34.561 -0.144 6.021 1.00 15.43 H new ATOM 0 HB THR A 76 35.088 1.392 3.680 1.00 53.23 H new ATOM 0 HG1 THR A 76 37.317 1.970 4.118 1.00 54.41 H new ATOM 0 HG21 THR A 76 35.623 3.164 5.311 1.00 61.33 H new ATOM 0 HG22 THR A 76 34.173 2.249 5.786 1.00 61.33 H new ATOM 0 HG23 THR A 76 35.725 1.941 6.600 1.00 61.33 H new ATOM 1086 N ALA A 77 32.815 -0.499 4.222 1.00 52.10 N ATOM 1087 CA ALA A 77 31.781 -0.948 3.297 1.00 24.03 C ATOM 1088 C ALA A 77 30.625 0.044 3.242 1.00 11.44 C ATOM 1089 O ALA A 77 30.273 0.659 4.249 1.00 24.25 O ATOM 1090 CB ALA A 77 31.278 -2.327 3.698 1.00 53.31 C ATOM 0 H ALA A 77 32.466 0.039 5.015 1.00 52.10 H new ATOM 0 HA ALA A 77 32.220 -1.009 2.301 1.00 24.03 H new ATOM 0 HB1 ALA A 77 30.506 -2.650 2.999 1.00 53.31 H new ATOM 0 HB2 ALA A 77 32.106 -3.036 3.678 1.00 53.31 H new ATOM 0 HB3 ALA A 77 30.861 -2.284 4.704 1.00 53.31 H new ATOM 1096 N SER A 78 30.038 0.197 2.060 1.00 74.22 N ATOM 1097 CA SER A 78 28.923 1.119 1.873 1.00 62.51 C ATOM 1098 C SER A 78 27.786 0.448 1.107 1.00 5.42 C ATOM 1099 O SER A 78 28.016 -0.252 0.121 1.00 24.31 O ATOM 1100 CB SER A 78 29.389 2.370 1.126 1.00 74.24 C ATOM 1101 OG SER A 78 29.726 3.408 2.029 1.00 34.24 O ATOM 0 H SER A 78 30.316 -0.305 1.217 1.00 74.22 H new ATOM 0 HA SER A 78 28.553 1.409 2.857 1.00 62.51 H new ATOM 0 HB2 SER A 78 30.253 2.127 0.508 1.00 74.24 H new ATOM 0 HB3 SER A 78 28.601 2.710 0.454 1.00 74.24 H new ATOM 0 HG SER A 78 30.022 4.196 1.526 1.00 34.24 H new ATOM 1107 N ILE A 79 26.560 0.669 1.569 1.00 61.14 N ATOM 1108 CA ILE A 79 25.387 0.088 0.927 1.00 22.14 C ATOM 1109 C ILE A 79 24.234 1.085 0.883 1.00 22.23 C ATOM 1110 O ILE A 79 23.757 1.544 1.920 1.00 32.00 O ATOM 1111 CB ILE A 79 24.921 -1.187 1.655 1.00 3.12 C ATOM 1112 CG1 ILE A 79 23.641 -1.727 1.015 1.00 52.11 C ATOM 1113 CG2 ILE A 79 24.701 -0.902 3.133 1.00 24.45 C ATOM 1114 CD1 ILE A 79 23.161 -3.025 1.625 1.00 64.53 C ATOM 0 H ILE A 79 26.353 1.246 2.385 1.00 61.14 H new ATOM 0 HA ILE A 79 25.679 -0.171 -0.091 1.00 22.14 H new ATOM 0 HB ILE A 79 25.699 -1.945 1.563 1.00 3.12 H new ATOM 0 HG12 ILE A 79 22.854 -0.978 1.108 1.00 52.11 H new ATOM 0 HG13 ILE A 79 23.813 -1.878 -0.051 1.00 52.11 H new ATOM 0 HG21 ILE A 79 24.372 -1.812 3.634 1.00 24.45 H new ATOM 0 HG22 ILE A 79 25.634 -0.559 3.580 1.00 24.45 H new ATOM 0 HG23 ILE A 79 23.939 -0.130 3.245 1.00 24.45 H new ATOM 0 HD11 ILE A 79 22.250 -3.348 1.122 1.00 64.53 H new ATOM 0 HD12 ILE A 79 23.930 -3.788 1.508 1.00 64.53 H new ATOM 0 HD13 ILE A 79 22.957 -2.875 2.685 1.00 64.53 H new ATOM 1126 N GLY A 80 23.790 1.415 -0.326 1.00 32.53 N ATOM 1127 CA GLY A 80 22.695 2.354 -0.483 1.00 33.21 C ATOM 1128 C GLY A 80 22.916 3.638 0.292 1.00 65.32 C ATOM 1129 O GLY A 80 23.851 4.387 0.011 1.00 24.54 O ATOM 0 H GLY A 80 24.169 1.049 -1.199 1.00 32.53 H new ATOM 0 HA2 GLY A 80 22.570 2.588 -1.540 1.00 33.21 H new ATOM 0 HA3 GLY A 80 21.769 1.886 -0.149 1.00 33.21 H new ATOM 1133 N GLY A 81 22.052 3.894 1.269 1.00 5.24 N ATOM 1134 CA GLY A 81 22.175 5.098 2.070 1.00 13.15 C ATOM 1135 C GLY A 81 22.709 4.818 3.461 1.00 60.40 C ATOM 1136 O GLY A 81 22.105 5.216 4.457 1.00 12.02 O ATOM 0 H GLY A 81 21.270 3.290 1.520 1.00 5.24 H new ATOM 0 HA2 GLY A 81 22.838 5.801 1.565 1.00 13.15 H new ATOM 0 HA3 GLY A 81 21.200 5.579 2.149 1.00 13.15 H new ATOM 1140 N ILE A 82 23.843 4.129 3.529 1.00 22.14 N ATOM 1141 CA ILE A 82 24.458 3.795 4.808 1.00 12.12 C ATOM 1142 C ILE A 82 25.795 3.091 4.608 1.00 23.32 C ATOM 1143 O ILE A 82 26.033 2.473 3.571 1.00 71.12 O ATOM 1144 CB ILE A 82 23.539 2.896 5.657 1.00 51.51 C ATOM 1145 CG1 ILE A 82 24.067 2.798 7.090 1.00 50.34 C ATOM 1146 CG2 ILE A 82 23.426 1.514 5.032 1.00 24.12 C ATOM 1147 CD1 ILE A 82 22.974 2.740 8.134 1.00 61.23 C ATOM 0 H ILE A 82 24.355 3.791 2.714 1.00 22.14 H new ATOM 0 HA ILE A 82 24.621 4.735 5.335 1.00 12.12 H new ATOM 0 HB ILE A 82 22.545 3.342 5.686 1.00 51.51 H new ATOM 0 HG12 ILE A 82 24.691 1.908 7.179 1.00 50.34 H new ATOM 0 HG13 ILE A 82 24.707 3.657 7.293 1.00 50.34 H new ATOM 0 HG21 ILE A 82 22.774 0.890 5.643 1.00 24.12 H new ATOM 0 HG22 ILE A 82 23.009 1.601 4.029 1.00 24.12 H new ATOM 0 HG23 ILE A 82 24.415 1.058 4.975 1.00 24.12 H new ATOM 0 HD11 ILE A 82 23.421 2.671 9.126 1.00 61.23 H new ATOM 0 HD12 ILE A 82 22.364 3.641 8.073 1.00 61.23 H new ATOM 0 HD13 ILE A 82 22.348 1.865 7.957 1.00 61.23 H new ATOM 1159 N GLN A 83 26.664 3.187 5.609 1.00 3.23 N ATOM 1160 CA GLN A 83 27.978 2.558 5.543 1.00 31.13 C ATOM 1161 C GLN A 83 28.495 2.229 6.940 1.00 51.20 C ATOM 1162 O GLN A 83 28.008 2.765 7.935 1.00 64.11 O ATOM 1163 CB GLN A 83 28.969 3.472 4.822 1.00 42.52 C ATOM 1164 CG GLN A 83 29.420 4.660 5.657 1.00 63.11 C ATOM 1165 CD GLN A 83 30.319 5.608 4.887 1.00 74.53 C ATOM 1166 OE1 GLN A 83 30.181 5.763 3.673 1.00 50.00 O ATOM 1167 NE2 GLN A 83 31.246 6.248 5.590 1.00 73.43 N ATOM 0 H GLN A 83 26.482 3.694 6.475 1.00 3.23 H new ATOM 0 HA GLN A 83 27.880 1.628 4.983 1.00 31.13 H new ATOM 0 HB2 GLN A 83 29.843 2.889 4.532 1.00 42.52 H new ATOM 0 HB3 GLN A 83 28.511 3.838 3.903 1.00 42.52 H new ATOM 0 HG2 GLN A 83 28.544 5.203 6.011 1.00 63.11 H new ATOM 0 HG3 GLN A 83 29.949 4.299 6.539 1.00 63.11 H new ATOM 0 HE21 GLN A 83 31.325 6.089 6.594 1.00 73.43 H new ATOM 0 HE22 GLN A 83 31.880 6.899 5.126 1.00 73.43 H new ATOM 1176 N GLY A 84 29.485 1.344 7.006 1.00 33.24 N ATOM 1177 CA GLY A 84 30.051 0.959 8.286 1.00 72.41 C ATOM 1178 C GLY A 84 31.554 1.150 8.336 1.00 14.12 C ATOM 1179 O GLY A 84 32.206 1.272 7.299 1.00 32.43 O ATOM 0 H GLY A 84 29.905 0.887 6.197 1.00 33.24 H new ATOM 0 HA2 GLY A 84 29.586 1.548 9.077 1.00 72.41 H new ATOM 0 HA3 GLY A 84 29.814 -0.086 8.485 1.00 72.41 H new ATOM 1183 N SER A 85 32.105 1.179 9.545 1.00 31.24 N ATOM 1184 CA SER A 85 33.540 1.363 9.727 1.00 30.30 C ATOM 1185 C SER A 85 34.059 0.491 10.867 1.00 43.53 C ATOM 1186 O SER A 85 33.453 0.420 11.936 1.00 10.23 O ATOM 1187 CB SER A 85 33.855 2.833 10.009 1.00 25.13 C ATOM 1188 OG SER A 85 32.933 3.384 10.933 1.00 51.32 O ATOM 0 H SER A 85 31.579 1.077 10.413 1.00 31.24 H new ATOM 0 HA SER A 85 34.040 1.062 8.806 1.00 30.30 H new ATOM 0 HB2 SER A 85 34.867 2.922 10.404 1.00 25.13 H new ATOM 0 HB3 SER A 85 33.825 3.400 9.078 1.00 25.13 H new ATOM 0 HG SER A 85 33.157 4.324 11.098 1.00 51.32 H new ATOM 1194 N THR A 86 35.187 -0.171 10.630 1.00 24.11 N ATOM 1195 CA THR A 86 35.789 -1.039 11.635 1.00 41.15 C ATOM 1196 C THR A 86 37.310 -0.946 11.601 1.00 3.13 C ATOM 1197 O THR A 86 37.900 -0.638 10.566 1.00 64.15 O ATOM 1198 CB THR A 86 35.371 -2.507 11.431 1.00 23.52 C ATOM 1199 OG1 THR A 86 36.328 -3.378 12.045 1.00 60.42 O ATOM 1200 CG2 THR A 86 35.255 -2.837 9.951 1.00 55.24 C ATOM 0 H THR A 86 35.702 -0.123 9.751 1.00 24.11 H new ATOM 0 HA THR A 86 35.429 -0.698 12.605 1.00 41.15 H new ATOM 0 HB THR A 86 34.396 -2.652 11.896 1.00 23.52 H new ATOM 0 HG1 THR A 86 35.920 -3.818 12.820 1.00 60.42 H new ATOM 0 HG21 THR A 86 34.959 -3.879 9.833 1.00 55.24 H new ATOM 0 HG22 THR A 86 34.505 -2.192 9.492 1.00 55.24 H new ATOM 0 HG23 THR A 86 36.218 -2.676 9.466 1.00 55.24 H new ATOM 1208 N ASP A 87 37.940 -1.214 12.740 1.00 73.41 N ATOM 1209 CA ASP A 87 39.394 -1.163 12.840 1.00 14.34 C ATOM 1210 C ASP A 87 39.955 -2.506 13.295 1.00 31.33 C ATOM 1211 O ASP A 87 39.539 -3.051 14.318 1.00 12.52 O ATOM 1212 CB ASP A 87 39.820 -0.062 13.813 1.00 21.11 C ATOM 1213 CG ASP A 87 41.244 -0.241 14.301 1.00 2.13 C ATOM 1214 OD1 ASP A 87 42.134 -0.488 13.460 1.00 53.22 O ATOM 1215 OD2 ASP A 87 41.470 -0.133 15.525 1.00 55.04 O ATOM 0 H ASP A 87 37.466 -1.469 13.607 1.00 73.41 H new ATOM 0 HA ASP A 87 39.794 -0.939 11.851 1.00 14.34 H new ATOM 0 HB2 ASP A 87 39.726 0.908 13.324 1.00 21.11 H new ATOM 0 HB3 ASP A 87 39.144 -0.055 14.668 1.00 21.11 H new ATOM 1220 N PHE A 88 40.901 -3.037 12.528 1.00 45.30 N ATOM 1221 CA PHE A 88 41.519 -4.318 12.851 1.00 54.22 C ATOM 1222 C PHE A 88 43.039 -4.193 12.898 1.00 14.34 C ATOM 1223 O PHE A 88 43.647 -3.539 12.050 1.00 35.05 O ATOM 1224 CB PHE A 88 41.115 -5.376 11.822 1.00 32.11 C ATOM 1225 CG PHE A 88 39.781 -6.006 12.103 1.00 74.34 C ATOM 1226 CD1 PHE A 88 39.543 -6.651 13.306 1.00 3.31 C ATOM 1227 CD2 PHE A 88 38.764 -5.954 11.163 1.00 15.02 C ATOM 1228 CE1 PHE A 88 38.317 -7.232 13.566 1.00 32.13 C ATOM 1229 CE2 PHE A 88 37.535 -6.533 11.418 1.00 73.20 C ATOM 1230 CZ PHE A 88 37.311 -7.172 12.622 1.00 72.23 C ATOM 0 H PHE A 88 41.257 -2.600 11.678 1.00 45.30 H new ATOM 0 HA PHE A 88 41.167 -4.625 13.836 1.00 54.22 H new ATOM 0 HB2 PHE A 88 41.091 -4.919 10.833 1.00 32.11 H new ATOM 0 HB3 PHE A 88 41.877 -6.155 11.795 1.00 32.11 H new ATOM 0 HD1 PHE A 88 40.325 -6.700 14.049 1.00 3.31 H new ATOM 0 HD2 PHE A 88 38.934 -5.455 10.220 1.00 15.02 H new ATOM 0 HE1 PHE A 88 38.145 -7.733 14.507 1.00 32.13 H new ATOM 0 HE2 PHE A 88 36.751 -6.486 10.677 1.00 73.20 H new ATOM 0 HZ PHE A 88 36.351 -7.624 12.825 1.00 72.23 H new ATOM 1240 N LYS A 89 43.647 -4.824 13.897 1.00 41.31 N ATOM 1241 CA LYS A 89 45.096 -4.785 14.057 1.00 32.12 C ATOM 1242 C LYS A 89 45.666 -6.194 14.191 1.00 1.51 C ATOM 1243 O LYS A 89 45.468 -6.861 15.207 1.00 54.44 O ATOM 1244 CB LYS A 89 45.472 -3.952 15.285 1.00 72.40 C ATOM 1245 CG LYS A 89 45.575 -2.464 15.002 1.00 44.23 C ATOM 1246 CD LYS A 89 46.677 -1.815 15.823 1.00 64.43 C ATOM 1247 CE LYS A 89 46.132 -1.203 17.104 1.00 75.24 C ATOM 1248 NZ LYS A 89 46.698 0.150 17.357 1.00 41.52 N ATOM 0 H LYS A 89 43.159 -5.369 14.608 1.00 41.31 H new ATOM 0 HA LYS A 89 45.523 -4.322 13.167 1.00 32.12 H new ATOM 0 HB2 LYS A 89 44.728 -4.114 16.065 1.00 72.40 H new ATOM 0 HB3 LYS A 89 46.426 -4.306 15.675 1.00 72.40 H new ATOM 0 HG2 LYS A 89 45.770 -2.307 13.941 1.00 44.23 H new ATOM 0 HG3 LYS A 89 44.623 -1.983 15.225 1.00 44.23 H new ATOM 0 HD2 LYS A 89 47.435 -2.559 16.068 1.00 64.43 H new ATOM 0 HD3 LYS A 89 47.167 -1.043 15.230 1.00 64.43 H new ATOM 0 HE2 LYS A 89 45.046 -1.136 17.041 1.00 75.24 H new ATOM 0 HE3 LYS A 89 46.363 -1.856 17.945 1.00 75.24 H new ATOM 0 HZ1 LYS A 89 46.302 0.533 18.239 1.00 41.52 H new ATOM 0 HZ2 LYS A 89 47.732 0.083 17.443 1.00 41.52 H new ATOM 0 HZ3 LYS A 89 46.456 0.781 16.566 1.00 41.52 H new ATOM 1262 N VAL A 90 46.377 -6.640 13.160 1.00 12.22 N ATOM 1263 CA VAL A 90 46.978 -7.968 13.164 1.00 23.01 C ATOM 1264 C VAL A 90 48.481 -7.890 13.412 1.00 75.31 C ATOM 1265 O VAL A 90 49.201 -7.177 12.713 1.00 51.22 O ATOM 1266 CB VAL A 90 46.726 -8.702 11.834 1.00 71.31 C ATOM 1267 CG1 VAL A 90 47.123 -7.826 10.656 1.00 3.31 C ATOM 1268 CG2 VAL A 90 47.479 -10.024 11.804 1.00 42.51 C ATOM 0 H VAL A 90 46.551 -6.101 12.312 1.00 12.22 H new ATOM 0 HA VAL A 90 46.507 -8.526 13.973 1.00 23.01 H new ATOM 0 HB VAL A 90 45.660 -8.915 11.754 1.00 71.31 H new ATOM 0 HG11 VAL A 90 46.938 -8.362 9.725 1.00 3.31 H new ATOM 0 HG12 VAL A 90 46.534 -6.909 10.670 1.00 3.31 H new ATOM 0 HG13 VAL A 90 48.182 -7.578 10.727 1.00 3.31 H new ATOM 0 HG21 VAL A 90 47.289 -10.529 10.857 1.00 42.51 H new ATOM 0 HG22 VAL A 90 48.548 -9.836 11.908 1.00 42.51 H new ATOM 0 HG23 VAL A 90 47.140 -10.655 12.626 1.00 42.51 H new ATOM 1278 N THR A 91 48.949 -8.630 14.413 1.00 52.05 N ATOM 1279 CA THR A 91 50.366 -8.645 14.754 1.00 54.11 C ATOM 1280 C THR A 91 51.118 -9.685 13.932 1.00 23.01 C ATOM 1281 O THR A 91 50.512 -10.575 13.336 1.00 10.21 O ATOM 1282 CB THR A 91 50.580 -8.937 16.251 1.00 34.11 C ATOM 1283 OG1 THR A 91 49.592 -9.864 16.715 1.00 13.25 O ATOM 1284 CG2 THR A 91 50.505 -7.656 17.068 1.00 32.35 C ATOM 0 H THR A 91 48.367 -9.226 15.001 1.00 52.05 H new ATOM 0 HA THR A 91 50.757 -7.654 14.525 1.00 54.11 H new ATOM 0 HB THR A 91 51.572 -9.371 16.376 1.00 34.11 H new ATOM 0 HG1 THR A 91 49.736 -10.046 17.667 1.00 13.25 H new ATOM 0 HG21 THR A 91 50.659 -7.887 18.122 1.00 32.35 H new ATOM 0 HG22 THR A 91 51.277 -6.964 16.732 1.00 32.35 H new ATOM 0 HG23 THR A 91 49.525 -7.198 16.937 1.00 32.35 H new ATOM 1292 N GLN A 92 52.442 -9.567 13.906 1.00 52.13 N ATOM 1293 CA GLN A 92 53.277 -10.498 13.156 1.00 34.32 C ATOM 1294 C GLN A 92 52.794 -10.623 11.715 1.00 61.01 C ATOM 1295 O GLN A 92 53.589 -10.836 10.799 1.00 24.50 O ATOM 1296 CB GLN A 92 53.274 -11.872 13.828 1.00 21.51 C ATOM 1297 CG GLN A 92 54.426 -12.077 14.798 1.00 23.43 C ATOM 1298 CD GLN A 92 54.079 -11.660 16.214 1.00 51.34 C ATOM 1299 OE1 GLN A 92 52.944 -11.827 16.662 1.00 42.13 O ATOM 1300 NE2 GLN A 92 55.056 -11.113 16.927 1.00 45.45 N ATOM 0 H GLN A 92 52.959 -8.836 14.395 1.00 52.13 H new ATOM 0 HA GLN A 92 54.295 -10.108 13.146 1.00 34.32 H new ATOM 0 HB2 GLN A 92 52.333 -12.004 14.362 1.00 21.51 H new ATOM 0 HB3 GLN A 92 53.316 -12.643 13.059 1.00 21.51 H new ATOM 0 HG2 GLN A 92 54.717 -13.127 14.794 1.00 23.43 H new ATOM 0 HG3 GLN A 92 55.289 -11.506 14.457 1.00 23.43 H new ATOM 0 HE21 GLN A 92 55.982 -10.993 16.516 1.00 45.45 H new ATOM 0 HE22 GLN A 92 54.881 -10.812 17.886 1.00 45.45 H new