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 74 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.219) USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 67 THR OG1 : rot -138:sc= 0.104 USER MOD Set 2.2: A 69 ASN : amide:sc= -1.22 K(o=-1.1,f=-0.38) USER MOD Set 3.1: A 36 ASN : amide:sc= -0.452 X(o=-0.23,f=-0.52) USER MOD Set 3.2: A 40 THR OG1 : rot 88:sc= 0.223 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.18 X(o=-1.2,f=-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= -3.59 K(o=-3.6,f=-12!) USER MOD Single : A 24 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.36) 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= -0.571 X(o=-0.57,f=-0.58) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0877 USER MOD Single : A 37 SER OG : 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 97:sc= 0.277 USER MOD Single : A 47 SER OG : rot 160:sc= -0.657 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.216 K(o=-0.22,f=-1.5!) USER MOD Single : A 50 THR OG1 : rot -160:sc= -0.582 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= -3.02 K(o=-3,f=-8!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.0824 USER MOD Single : A 62 HIS : no HD1:sc= -0.0334 K(o=-0.033,f=-0.78) USER MOD Single : A 66 SER OG : rot 180:sc= -0.782 USER MOD Single : A 70 GLN : amide:sc= -0.0392 K(o=-0.039,f=-1.1!) USER MOD Single : A 72 ASN : amide:sc= -0.0124 X(o=-0.012,f=-0.078) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 31:sc= 0.00182 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 86 THR OG1 : rot 65:sc= 0.793 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 15.607 0.498 2.587 1.00 63.04 N ATOM 72 CA VAL A 6 15.313 1.620 3.470 1.00 43.45 C ATOM 73 C VAL A 6 16.538 2.010 4.290 1.00 71.22 C ATOM 74 O VAL A 6 16.958 3.167 4.286 1.00 63.32 O ATOM 75 CB VAL A 6 14.151 1.293 4.426 1.00 23.40 C ATOM 76 CG1 VAL A 6 13.880 2.464 5.358 1.00 24.42 C ATOM 77 CG2 VAL A 6 12.902 0.926 3.640 1.00 53.33 C ATOM 0 HA VAL A 6 15.025 2.456 2.833 1.00 43.45 H new ATOM 0 HB VAL A 6 14.435 0.434 5.034 1.00 23.40 H new ATOM 0 HG11 VAL A 6 13.056 2.214 6.026 1.00 24.42 H new ATOM 0 HG12 VAL A 6 14.773 2.675 5.947 1.00 24.42 H new ATOM 0 HG13 VAL A 6 13.617 3.343 4.770 1.00 24.42 H new ATOM 0 HG21 VAL A 6 12.091 0.698 4.331 1.00 53.33 H new ATOM 0 HG22 VAL A 6 12.613 1.763 3.005 1.00 53.33 H new ATOM 0 HG23 VAL A 6 13.106 0.053 3.019 1.00 53.33 H new ATOM 87 N SER A 7 17.107 1.036 4.993 1.00 72.53 N ATOM 88 CA SER A 7 18.282 1.277 5.821 1.00 23.22 C ATOM 89 C SER A 7 18.804 -0.027 6.417 1.00 71.31 C ATOM 90 O SER A 7 18.094 -1.033 6.453 1.00 24.15 O ATOM 91 CB SER A 7 17.949 2.265 6.941 1.00 62.22 C ATOM 92 OG SER A 7 16.698 1.961 7.534 1.00 43.25 O ATOM 0 H SER A 7 16.773 0.072 5.005 1.00 72.53 H new ATOM 0 HA SER A 7 19.060 1.704 5.188 1.00 23.22 H new ATOM 0 HB2 SER A 7 18.731 2.237 7.700 1.00 62.22 H new ATOM 0 HB3 SER A 7 17.929 3.279 6.542 1.00 62.22 H new ATOM 0 HG SER A 7 16.509 2.605 8.248 1.00 43.25 H new ATOM 98 N ILE A 8 20.048 -0.002 6.882 1.00 2.23 N ATOM 99 CA ILE A 8 20.665 -1.181 7.477 1.00 1.33 C ATOM 100 C ILE A 8 21.525 -0.804 8.679 1.00 41.11 C ATOM 101 O ILE A 8 22.078 0.294 8.739 1.00 3.04 O ATOM 102 CB ILE A 8 21.534 -1.938 6.456 1.00 52.24 C ATOM 103 CG1 ILE A 8 20.751 -2.173 5.162 1.00 12.43 C ATOM 104 CG2 ILE A 8 22.009 -3.259 7.041 1.00 63.33 C ATOM 105 CD1 ILE A 8 20.887 -1.047 4.161 1.00 71.33 C ATOM 0 H ILE A 8 20.649 0.822 6.858 1.00 2.23 H new ATOM 0 HA ILE A 8 19.853 -1.831 7.803 1.00 1.33 H new ATOM 0 HB ILE A 8 22.409 -1.330 6.224 1.00 52.24 H new ATOM 0 HG12 ILE A 8 21.094 -3.100 4.703 1.00 12.43 H new ATOM 0 HG13 ILE A 8 19.697 -2.308 5.404 1.00 12.43 H new ATOM 0 HG21 ILE A 8 22.622 -3.782 6.307 1.00 63.33 H new ATOM 0 HG22 ILE A 8 22.599 -3.069 7.937 1.00 63.33 H new ATOM 0 HG23 ILE A 8 21.147 -3.874 7.298 1.00 63.33 H new ATOM 0 HD11 ILE A 8 20.306 -1.281 3.269 1.00 71.33 H new ATOM 0 HD12 ILE A 8 20.517 -0.121 4.602 1.00 71.33 H new ATOM 0 HD13 ILE A 8 21.936 -0.926 3.890 1.00 71.33 H new ATOM 117 N SER A 9 21.634 -1.723 9.633 1.00 45.01 N ATOM 118 CA SER A 9 22.426 -1.487 10.835 1.00 50.14 C ATOM 119 C SER A 9 23.639 -2.411 10.876 1.00 4.32 C ATOM 120 O SER A 9 23.507 -3.621 11.058 1.00 32.13 O ATOM 121 CB SER A 9 21.569 -1.696 12.085 1.00 52.54 C ATOM 122 OG SER A 9 21.164 -0.455 12.638 1.00 20.52 O ATOM 0 H SER A 9 21.184 -2.638 9.597 1.00 45.01 H new ATOM 0 HA SER A 9 22.777 -0.455 10.812 1.00 50.14 H new ATOM 0 HB2 SER A 9 20.690 -2.289 11.832 1.00 52.54 H new ATOM 0 HB3 SER A 9 22.133 -2.262 12.827 1.00 52.54 H new ATOM 0 HG SER A 9 20.616 -0.615 13.435 1.00 20.52 H new ATOM 128 N VAL A 10 24.823 -1.831 10.706 1.00 42.43 N ATOM 129 CA VAL A 10 26.061 -2.600 10.725 1.00 65.05 C ATOM 130 C VAL A 10 26.733 -2.528 12.091 1.00 13.34 C ATOM 131 O VAL A 10 26.854 -1.453 12.679 1.00 52.32 O ATOM 132 CB VAL A 10 27.049 -2.101 9.653 1.00 52.21 C ATOM 133 CG1 VAL A 10 27.481 -0.673 9.949 1.00 42.23 C ATOM 134 CG2 VAL A 10 28.254 -3.025 9.568 1.00 41.12 C ATOM 0 H VAL A 10 24.951 -0.831 10.554 1.00 42.43 H new ATOM 0 HA VAL A 10 25.793 -3.634 10.509 1.00 65.05 H new ATOM 0 HB VAL A 10 26.545 -2.110 8.687 1.00 52.21 H new ATOM 0 HG11 VAL A 10 28.179 -0.337 9.182 1.00 42.23 H new ATOM 0 HG12 VAL A 10 26.607 -0.022 9.954 1.00 42.23 H new ATOM 0 HG13 VAL A 10 27.968 -0.635 10.924 1.00 42.23 H new ATOM 0 HG21 VAL A 10 28.941 -2.657 8.806 1.00 41.12 H new ATOM 0 HG22 VAL A 10 28.761 -3.051 10.532 1.00 41.12 H new ATOM 0 HG23 VAL A 10 27.924 -4.030 9.305 1.00 41.12 H new ATOM 144 N SER A 11 27.168 -3.679 12.592 1.00 23.24 N ATOM 145 CA SER A 11 27.825 -3.747 13.892 1.00 22.55 C ATOM 146 C SER A 11 29.286 -4.160 13.742 1.00 21.50 C ATOM 147 O SER A 11 29.677 -5.282 14.066 1.00 5.24 O ATOM 148 CB SER A 11 27.095 -4.735 14.805 1.00 65.31 C ATOM 149 OG SER A 11 26.016 -4.108 15.475 1.00 33.41 O ATOM 0 H SER A 11 27.077 -4.577 12.118 1.00 23.24 H new ATOM 0 HA SER A 11 27.791 -2.754 14.341 1.00 22.55 H new ATOM 0 HB2 SER A 11 26.723 -5.573 14.216 1.00 65.31 H new ATOM 0 HB3 SER A 11 27.793 -5.144 15.536 1.00 65.31 H new ATOM 0 HG SER A 11 25.565 -4.760 16.051 1.00 33.41 H new ATOM 155 N PRO A 12 30.113 -3.233 13.238 1.00 44.14 N ATOM 156 CA PRO A 12 31.544 -3.476 13.033 1.00 64.05 C ATOM 157 C PRO A 12 32.308 -3.583 14.348 1.00 65.43 C ATOM 158 O PRO A 12 31.894 -3.029 15.366 1.00 0.13 O ATOM 159 CB PRO A 12 32.004 -2.246 12.246 1.00 11.20 C ATOM 160 CG PRO A 12 31.030 -1.179 12.609 1.00 52.33 C ATOM 161 CD PRO A 12 29.716 -1.875 12.829 1.00 35.23 C ATOM 0 HA PRO A 12 31.727 -4.420 12.520 1.00 64.05 H new ATOM 0 HB2 PRO A 12 33.021 -1.962 12.515 1.00 11.20 H new ATOM 0 HB3 PRO A 12 32.000 -2.438 11.173 1.00 11.20 H new ATOM 0 HG2 PRO A 12 31.347 -0.651 13.508 1.00 52.33 H new ATOM 0 HG3 PRO A 12 30.950 -0.437 11.815 1.00 52.33 H new ATOM 0 HD2 PRO A 12 29.123 -1.381 13.599 1.00 35.23 H new ATOM 0 HD3 PRO A 12 29.112 -1.889 11.922 1.00 35.23 H new ATOM 169 N THR A 13 33.428 -4.300 14.320 1.00 72.32 N ATOM 170 CA THR A 13 34.250 -4.481 15.510 1.00 54.12 C ATOM 171 C THR A 13 35.625 -3.850 15.329 1.00 65.12 C ATOM 172 O THR A 13 36.421 -4.300 14.506 1.00 64.03 O ATOM 173 CB THR A 13 34.422 -5.973 15.852 1.00 4.20 C ATOM 174 OG1 THR A 13 35.462 -6.135 16.823 1.00 22.40 O ATOM 175 CG2 THR A 13 34.755 -6.779 14.606 1.00 50.14 C ATOM 0 H THR A 13 33.786 -4.765 13.486 1.00 72.32 H new ATOM 0 HA THR A 13 33.732 -3.986 16.331 1.00 54.12 H new ATOM 0 HB THR A 13 33.481 -6.340 16.262 1.00 4.20 H new ATOM 0 HG1 THR A 13 35.565 -7.086 17.037 1.00 22.40 H new ATOM 0 HG21 THR A 13 34.872 -7.829 14.873 1.00 50.14 H new ATOM 0 HG22 THR A 13 33.948 -6.676 13.880 1.00 50.14 H new ATOM 0 HG23 THR A 13 35.684 -6.410 14.171 1.00 50.14 H new ATOM 183 N ASN A 14 35.899 -2.806 16.104 1.00 42.31 N ATOM 184 CA ASN A 14 37.180 -2.113 16.029 1.00 43.14 C ATOM 185 C ASN A 14 38.143 -2.632 17.092 1.00 31.42 C ATOM 186 O ASN A 14 38.173 -2.130 18.216 1.00 72.14 O ATOM 187 CB ASN A 14 36.979 -0.606 16.199 1.00 45.31 C ATOM 188 CG ASN A 14 36.121 -0.269 17.403 1.00 23.21 C ATOM 189 OD1 ASN A 14 36.633 -0.035 18.498 1.00 40.30 O ATOM 190 ND2 ASN A 14 34.808 -0.244 17.205 1.00 24.44 N ATOM 0 H ASN A 14 35.251 -2.421 16.791 1.00 42.31 H new ATOM 0 HA ASN A 14 37.612 -2.307 15.047 1.00 43.14 H new ATOM 0 HB2 ASN A 14 37.950 -0.122 16.302 1.00 45.31 H new ATOM 0 HB3 ASN A 14 36.514 -0.201 15.300 1.00 45.31 H new ATOM 0 HD21 ASN A 14 34.180 -0.024 17.978 1.00 24.44 H new ATOM 0 HD22 ASN A 14 34.428 -0.445 16.280 1.00 24.44 H new ATOM 197 N SER A 15 38.929 -3.641 16.729 1.00 11.03 N ATOM 198 CA SER A 15 39.891 -4.231 17.653 1.00 72.01 C ATOM 199 C SER A 15 41.040 -4.887 16.894 1.00 23.21 C ATOM 200 O SER A 15 41.175 -4.722 15.681 1.00 14.11 O ATOM 201 CB SER A 15 39.203 -5.262 18.550 1.00 55.23 C ATOM 202 OG SER A 15 39.731 -5.228 19.864 1.00 22.30 O ATOM 0 H SER A 15 38.919 -4.067 15.802 1.00 11.03 H new ATOM 0 HA SER A 15 40.297 -3.433 18.275 1.00 72.01 H new ATOM 0 HB2 SER A 15 38.131 -5.065 18.580 1.00 55.23 H new ATOM 0 HB3 SER A 15 39.332 -6.259 18.129 1.00 55.23 H new ATOM 0 HG SER A 15 39.274 -5.895 20.418 1.00 22.30 H new ATOM 208 N THR A 16 41.869 -5.634 17.618 1.00 41.33 N ATOM 209 CA THR A 16 43.008 -6.314 17.015 1.00 21.41 C ATOM 210 C THR A 16 42.778 -7.820 16.950 1.00 14.11 C ATOM 211 O THR A 16 41.961 -8.366 17.692 1.00 11.44 O ATOM 212 CB THR A 16 44.306 -6.039 17.798 1.00 52.42 C ATOM 213 OG1 THR A 16 44.298 -6.765 19.032 1.00 74.24 O ATOM 214 CG2 THR A 16 44.462 -4.552 18.080 1.00 50.11 C ATOM 0 H THR A 16 41.772 -5.783 18.622 1.00 41.33 H new ATOM 0 HA THR A 16 43.111 -5.920 16.004 1.00 21.41 H new ATOM 0 HB THR A 16 45.148 -6.368 17.189 1.00 52.42 H new ATOM 0 HG1 THR A 16 45.127 -6.586 19.522 1.00 74.24 H new ATOM 0 HG21 THR A 16 45.385 -4.382 18.634 1.00 50.11 H new ATOM 0 HG22 THR A 16 44.498 -4.005 17.138 1.00 50.11 H new ATOM 0 HG23 THR A 16 43.615 -4.203 18.671 1.00 50.11 H new ATOM 222 N VAL A 17 43.503 -8.487 16.058 1.00 73.10 N ATOM 223 CA VAL A 17 43.378 -9.931 15.898 1.00 43.15 C ATOM 224 C VAL A 17 44.748 -10.593 15.798 1.00 1.14 C ATOM 225 O VAL A 17 45.726 -9.962 15.398 1.00 71.33 O ATOM 226 CB VAL A 17 42.556 -10.288 14.645 1.00 40.40 C ATOM 227 CG1 VAL A 17 41.178 -9.647 14.710 1.00 31.15 C ATOM 228 CG2 VAL A 17 43.293 -9.859 13.385 1.00 73.42 C ATOM 0 H VAL A 17 44.183 -8.051 15.435 1.00 73.10 H new ATOM 0 HA VAL A 17 42.860 -10.304 16.782 1.00 43.15 H new ATOM 0 HB VAL A 17 42.426 -11.370 14.613 1.00 40.40 H new ATOM 0 HG11 VAL A 17 40.612 -9.910 13.817 1.00 31.15 H new ATOM 0 HG12 VAL A 17 40.650 -10.007 15.593 1.00 31.15 H new ATOM 0 HG13 VAL A 17 41.283 -8.564 14.767 1.00 31.15 H new ATOM 0 HG21 VAL A 17 42.698 -10.119 12.509 1.00 73.42 H new ATOM 0 HG22 VAL A 17 43.455 -8.781 13.407 1.00 73.42 H new ATOM 0 HG23 VAL A 17 44.255 -10.369 13.335 1.00 73.42 H new ATOM 238 N ALA A 18 44.811 -11.869 16.166 1.00 54.43 N ATOM 239 CA ALA A 18 46.060 -12.617 16.116 1.00 61.52 C ATOM 240 C ALA A 18 46.484 -12.882 14.675 1.00 23.22 C ATOM 241 O ALA A 18 45.676 -12.788 13.751 1.00 33.04 O ATOM 242 CB ALA A 18 45.921 -13.928 16.876 1.00 13.12 C ATOM 0 H ALA A 18 44.011 -12.405 16.502 1.00 54.43 H new ATOM 0 HA ALA A 18 46.835 -12.015 16.591 1.00 61.52 H new ATOM 0 HB1 ALA A 18 46.862 -14.477 16.830 1.00 13.12 H new ATOM 0 HB2 ALA A 18 45.672 -13.721 17.917 1.00 13.12 H new ATOM 0 HB3 ALA A 18 45.129 -14.527 16.426 1.00 13.12 H new ATOM 248 N LYS A 19 47.758 -13.213 14.490 1.00 74.24 N ATOM 249 CA LYS A 19 48.290 -13.492 13.161 1.00 24.34 C ATOM 250 C LYS A 19 47.434 -14.527 12.438 1.00 0.21 C ATOM 251 O LYS A 19 47.164 -15.604 12.968 1.00 3.32 O ATOM 252 CB LYS A 19 49.734 -13.990 13.263 1.00 72.53 C ATOM 253 CG LYS A 19 50.500 -13.905 11.954 1.00 71.21 C ATOM 254 CD LYS A 19 50.453 -15.220 11.194 1.00 41.03 C ATOM 255 CE LYS A 19 51.114 -15.099 9.829 1.00 55.51 C ATOM 256 NZ LYS A 19 51.766 -16.371 9.413 1.00 1.13 N ATOM 0 H LYS A 19 48.441 -13.295 15.243 1.00 74.24 H new ATOM 0 HA LYS A 19 48.270 -12.566 12.587 1.00 24.34 H new ATOM 0 HB2 LYS A 19 50.258 -13.406 14.020 1.00 72.53 H new ATOM 0 HB3 LYS A 19 49.729 -15.025 13.605 1.00 72.53 H new ATOM 0 HG2 LYS A 19 50.080 -13.111 11.336 1.00 71.21 H new ATOM 0 HG3 LYS A 19 51.537 -13.637 12.155 1.00 71.21 H new ATOM 0 HD2 LYS A 19 50.954 -15.995 11.774 1.00 41.03 H new ATOM 0 HD3 LYS A 19 49.416 -15.533 11.071 1.00 41.03 H new ATOM 0 HE2 LYS A 19 50.367 -14.815 9.088 1.00 55.51 H new ATOM 0 HE3 LYS A 19 51.857 -14.302 9.855 1.00 55.51 H new ATOM 0 HZ1 LYS A 19 52.204 -16.247 8.478 1.00 1.13 H new ATOM 0 HZ2 LYS A 19 52.497 -16.630 10.107 1.00 1.13 H new ATOM 0 HZ3 LYS A 19 51.053 -17.126 9.363 1.00 1.13 H new ATOM 270 N GLY A 20 47.010 -14.193 11.223 1.00 44.32 N ATOM 271 CA GLY A 20 46.190 -15.104 10.446 1.00 23.24 C ATOM 272 C GLY A 20 44.981 -15.596 11.217 1.00 2.20 C ATOM 273 O GLY A 20 45.032 -16.642 11.865 1.00 31.12 O ATOM 0 H GLY A 20 47.220 -13.307 10.763 1.00 44.32 H new ATOM 0 HA2 GLY A 20 45.858 -14.603 9.536 1.00 23.24 H new ATOM 0 HA3 GLY A 20 46.793 -15.958 10.138 1.00 23.24 H new ATOM 277 N LEU A 21 43.891 -14.840 11.149 1.00 10.10 N ATOM 278 CA LEU A 21 42.663 -15.204 11.847 1.00 11.45 C ATOM 279 C LEU A 21 41.435 -14.799 11.037 1.00 25.32 C ATOM 280 O LEU A 21 41.552 -14.376 9.887 1.00 35.34 O ATOM 281 CB LEU A 21 42.620 -14.539 13.225 1.00 64.33 C ATOM 282 CG LEU A 21 42.388 -15.473 14.413 1.00 14.22 C ATOM 283 CD1 LEU A 21 43.685 -16.154 14.819 1.00 23.02 C ATOM 284 CD2 LEU A 21 41.796 -14.705 15.587 1.00 63.14 C ATOM 0 H LEU A 21 43.832 -13.971 10.618 1.00 10.10 H new ATOM 0 HA LEU A 21 42.653 -16.287 11.971 1.00 11.45 H new ATOM 0 HB2 LEU A 21 43.561 -14.011 13.381 1.00 64.33 H new ATOM 0 HB3 LEU A 21 41.830 -13.788 13.219 1.00 64.33 H new ATOM 0 HG LEU A 21 41.677 -16.243 14.112 1.00 14.22 H new ATOM 0 HD11 LEU A 21 43.499 -16.815 15.666 1.00 23.02 H new ATOM 0 HD12 LEU A 21 44.068 -16.737 13.981 1.00 23.02 H new ATOM 0 HD13 LEU A 21 44.419 -15.399 15.101 1.00 23.02 H new ATOM 0 HD21 LEU A 21 41.637 -15.385 16.424 1.00 63.14 H new ATOM 0 HD22 LEU A 21 42.483 -13.914 15.888 1.00 63.14 H new ATOM 0 HD23 LEU A 21 40.843 -14.265 15.291 1.00 63.14 H new ATOM 296 N GLN A 22 40.261 -14.931 11.646 1.00 43.21 N ATOM 297 CA GLN A 22 39.013 -14.578 10.981 1.00 52.52 C ATOM 298 C GLN A 22 37.971 -14.110 11.992 1.00 72.04 C ATOM 299 O GLN A 22 37.833 -14.690 13.068 1.00 25.10 O ATOM 300 CB GLN A 22 38.475 -15.772 10.192 1.00 71.43 C ATOM 301 CG GLN A 22 37.256 -15.444 9.345 1.00 13.54 C ATOM 302 CD GLN A 22 35.953 -15.792 10.038 1.00 61.50 C ATOM 303 OE1 GLN A 22 35.503 -15.079 10.935 1.00 21.11 O ATOM 304 NE2 GLN A 22 35.339 -16.895 9.624 1.00 1.23 N ATOM 0 H GLN A 22 40.148 -15.280 12.598 1.00 43.21 H new ATOM 0 HA GLN A 22 39.217 -13.759 10.292 1.00 52.52 H new ATOM 0 HB2 GLN A 22 39.264 -16.154 9.545 1.00 71.43 H new ATOM 0 HB3 GLN A 22 38.219 -16.571 10.888 1.00 71.43 H new ATOM 0 HG2 GLN A 22 37.262 -14.381 9.103 1.00 13.54 H new ATOM 0 HG3 GLN A 22 37.317 -15.986 8.401 1.00 13.54 H new ATOM 0 HE21 GLN A 22 35.748 -17.457 8.877 1.00 1.23 H new ATOM 0 HE22 GLN A 22 34.459 -17.180 10.053 1.00 1.23 H new ATOM 313 N GLU A 23 37.240 -13.058 11.637 1.00 11.31 N ATOM 314 CA GLU A 23 36.211 -12.512 12.515 1.00 22.30 C ATOM 315 C GLU A 23 34.860 -12.467 11.807 1.00 1.03 C ATOM 316 O GLU A 23 34.770 -12.077 10.644 1.00 33.01 O ATOM 317 CB GLU A 23 36.601 -11.109 12.984 1.00 41.11 C ATOM 318 CG GLU A 23 36.670 -10.969 14.495 1.00 31.43 C ATOM 319 CD GLU A 23 35.307 -11.068 15.153 1.00 61.21 C ATOM 320 OE1 GLU A 23 34.664 -12.132 15.031 1.00 44.34 O ATOM 321 OE2 GLU A 23 34.884 -10.081 15.790 1.00 32.14 O ATOM 0 H GLU A 23 37.341 -12.567 10.749 1.00 11.31 H new ATOM 0 HA GLU A 23 36.125 -13.166 13.383 1.00 22.30 H new ATOM 0 HB2 GLU A 23 37.571 -10.850 12.559 1.00 41.11 H new ATOM 0 HB3 GLU A 23 35.880 -10.391 12.594 1.00 41.11 H new ATOM 0 HG2 GLU A 23 37.321 -11.744 14.899 1.00 31.43 H new ATOM 0 HG3 GLU A 23 37.122 -10.010 14.747 1.00 31.43 H new ATOM 328 N ASN A 24 33.812 -12.869 12.519 1.00 62.51 N ATOM 329 CA ASN A 24 32.465 -12.876 11.959 1.00 24.24 C ATOM 330 C ASN A 24 31.722 -11.592 12.314 1.00 5.32 C ATOM 331 O ASN A 24 31.827 -11.091 13.434 1.00 53.41 O ATOM 332 CB ASN A 24 31.684 -14.088 12.471 1.00 62.31 C ATOM 333 CG ASN A 24 31.735 -14.213 13.981 1.00 21.54 C ATOM 334 OD1 ASN A 24 30.999 -13.534 14.697 1.00 74.32 O ATOM 335 ND2 ASN A 24 32.608 -15.085 14.474 1.00 72.05 N ATOM 0 H ASN A 24 33.869 -13.194 13.484 1.00 62.51 H new ATOM 0 HA ASN A 24 32.550 -12.938 10.874 1.00 24.24 H new ATOM 0 HB2 ASN A 24 30.645 -14.009 12.151 1.00 62.31 H new ATOM 0 HB3 ASN A 24 32.089 -14.994 12.020 1.00 62.31 H new ATOM 0 HD21 ASN A 24 32.687 -15.212 15.483 1.00 72.05 H new ATOM 0 HD22 ASN A 24 33.199 -15.627 13.844 1.00 72.05 H new ATOM 342 N PHE A 25 30.972 -11.064 11.353 1.00 51.02 N ATOM 343 CA PHE A 25 30.211 -9.838 11.563 1.00 4.30 C ATOM 344 C PHE A 25 28.712 -10.102 11.457 1.00 64.34 C ATOM 345 O PHE A 25 28.286 -11.225 11.185 1.00 11.11 O ATOM 346 CB PHE A 25 30.627 -8.774 10.544 1.00 35.04 C ATOM 347 CG PHE A 25 31.972 -8.168 10.825 1.00 13.33 C ATOM 348 CD1 PHE A 25 33.117 -8.947 10.799 1.00 71.24 C ATOM 349 CD2 PHE A 25 32.091 -6.818 11.116 1.00 60.25 C ATOM 350 CE1 PHE A 25 34.356 -8.392 11.058 1.00 54.24 C ATOM 351 CE2 PHE A 25 33.327 -6.257 11.375 1.00 63.01 C ATOM 352 CZ PHE A 25 34.461 -7.045 11.345 1.00 42.12 C ATOM 0 H PHE A 25 30.875 -11.466 10.421 1.00 51.02 H new ATOM 0 HA PHE A 25 30.427 -9.474 12.567 1.00 4.30 H new ATOM 0 HB2 PHE A 25 30.639 -9.220 9.549 1.00 35.04 H new ATOM 0 HB3 PHE A 25 29.877 -7.983 10.530 1.00 35.04 H new ATOM 0 HD1 PHE A 25 33.041 -10.000 10.574 1.00 71.24 H new ATOM 0 HD2 PHE A 25 31.207 -6.197 11.141 1.00 60.25 H new ATOM 0 HE1 PHE A 25 35.241 -9.011 11.036 1.00 54.24 H new ATOM 0 HE2 PHE A 25 33.406 -5.204 11.601 1.00 63.01 H new ATOM 0 HZ PHE A 25 35.428 -6.609 11.546 1.00 42.12 H new ATOM 362 N LYS A 26 27.917 -9.060 11.673 1.00 30.31 N ATOM 363 CA LYS A 26 26.465 -9.177 11.601 1.00 24.34 C ATOM 364 C LYS A 26 25.845 -7.907 11.030 1.00 54.41 C ATOM 365 O LYS A 26 26.105 -6.805 11.514 1.00 65.55 O ATOM 366 CB LYS A 26 25.887 -9.460 12.990 1.00 72.44 C ATOM 367 CG LYS A 26 24.464 -9.991 12.959 1.00 61.51 C ATOM 368 CD LYS A 26 24.012 -10.454 14.334 1.00 53.22 C ATOM 369 CE LYS A 26 22.555 -10.099 14.590 1.00 72.45 C ATOM 370 NZ LYS A 26 21.721 -11.312 14.821 1.00 45.32 N ATOM 0 H LYS A 26 28.254 -8.124 11.900 1.00 30.31 H new ATOM 0 HA LYS A 26 26.224 -10.008 10.937 1.00 24.34 H new ATOM 0 HB2 LYS A 26 26.525 -10.182 13.500 1.00 72.44 H new ATOM 0 HB3 LYS A 26 25.911 -8.543 13.578 1.00 72.44 H new ATOM 0 HG2 LYS A 26 23.792 -9.213 12.597 1.00 61.51 H new ATOM 0 HG3 LYS A 26 24.399 -10.821 12.255 1.00 61.51 H new ATOM 0 HD2 LYS A 26 24.145 -11.533 14.418 1.00 53.22 H new ATOM 0 HD3 LYS A 26 24.639 -9.995 15.098 1.00 53.22 H new ATOM 0 HE2 LYS A 26 22.488 -9.442 15.457 1.00 72.45 H new ATOM 0 HE3 LYS A 26 22.161 -9.544 13.738 1.00 72.45 H new ATOM 0 HZ1 LYS A 26 20.735 -11.028 14.992 1.00 45.32 H new ATOM 0 HZ2 LYS A 26 21.764 -11.928 13.984 1.00 45.32 H new ATOM 0 HZ3 LYS A 26 22.081 -11.828 15.649 1.00 45.32 H new ATOM 384 N ALA A 27 25.021 -8.067 9.999 1.00 23.51 N ATOM 385 CA ALA A 27 24.361 -6.933 9.365 1.00 70.54 C ATOM 386 C ALA A 27 22.907 -7.258 9.037 1.00 45.33 C ATOM 387 O ALA A 27 22.621 -8.211 8.312 1.00 31.41 O ATOM 388 CB ALA A 27 25.110 -6.524 8.105 1.00 54.01 C ATOM 0 H ALA A 27 24.795 -8.972 9.585 1.00 23.51 H new ATOM 0 HA ALA A 27 24.370 -6.099 10.067 1.00 70.54 H new ATOM 0 HB1 ALA A 27 24.606 -5.676 7.641 1.00 54.01 H new ATOM 0 HB2 ALA A 27 26.131 -6.243 8.364 1.00 54.01 H new ATOM 0 HB3 ALA A 27 25.130 -7.360 7.406 1.00 54.01 H new ATOM 394 N THR A 28 21.992 -6.459 9.575 1.00 15.42 N ATOM 395 CA THR A 28 20.567 -6.662 9.341 1.00 4.34 C ATOM 396 C THR A 28 19.952 -5.465 8.625 1.00 72.43 C ATOM 397 O THR A 28 19.698 -4.427 9.234 1.00 20.43 O ATOM 398 CB THR A 28 19.810 -6.901 10.661 1.00 11.42 C ATOM 399 OG1 THR A 28 20.526 -6.309 11.751 1.00 53.40 O ATOM 400 CG2 THR A 28 19.626 -8.389 10.918 1.00 53.24 C ATOM 0 H THR A 28 22.212 -5.665 10.176 1.00 15.42 H new ATOM 0 HA THR A 28 20.472 -7.547 8.711 1.00 4.34 H new ATOM 0 HB THR A 28 18.827 -6.438 10.578 1.00 11.42 H new ATOM 0 HG1 THR A 28 20.037 -6.464 12.586 1.00 53.40 H new ATOM 0 HG21 THR A 28 19.089 -8.533 11.856 1.00 53.24 H new ATOM 0 HG22 THR A 28 19.055 -8.831 10.102 1.00 53.24 H new ATOM 0 HG23 THR A 28 20.602 -8.871 10.981 1.00 53.24 H new ATOM 408 N GLY A 29 19.713 -5.618 7.326 1.00 71.14 N ATOM 409 CA GLY A 29 19.128 -4.542 6.547 1.00 11.14 C ATOM 410 C GLY A 29 17.613 -4.582 6.550 1.00 54.01 C ATOM 411 O GLY A 29 17.011 -5.582 6.157 1.00 20.12 O ATOM 0 H GLY A 29 19.914 -6.468 6.799 1.00 71.14 H new ATOM 0 HA2 GLY A 29 19.464 -3.585 6.946 1.00 11.14 H new ATOM 0 HA3 GLY A 29 19.488 -4.604 5.520 1.00 11.14 H new ATOM 415 N ILE A 30 16.994 -3.493 6.995 1.00 64.32 N ATOM 416 CA ILE A 30 15.540 -3.409 7.047 1.00 1.12 C ATOM 417 C ILE A 30 14.972 -2.892 5.730 1.00 74.41 C ATOM 418 O ILE A 30 15.116 -1.716 5.398 1.00 43.33 O ATOM 419 CB ILE A 30 15.070 -2.491 8.191 1.00 4.12 C ATOM 420 CG1 ILE A 30 15.824 -2.821 9.481 1.00 11.23 C ATOM 421 CG2 ILE A 30 13.569 -2.628 8.398 1.00 24.21 C ATOM 422 CD1 ILE A 30 15.699 -4.269 9.900 1.00 0.25 C ATOM 0 H ILE A 30 17.477 -2.657 7.324 1.00 64.32 H new ATOM 0 HA ILE A 30 15.172 -4.419 7.227 1.00 1.12 H new ATOM 0 HB ILE A 30 15.286 -1.458 7.920 1.00 4.12 H new ATOM 0 HG12 ILE A 30 16.879 -2.579 9.348 1.00 11.23 H new ATOM 0 HG13 ILE A 30 15.450 -2.185 10.284 1.00 11.23 H new ATOM 0 HG21 ILE A 30 13.252 -1.973 9.210 1.00 24.21 H new ATOM 0 HG22 ILE A 30 13.048 -2.348 7.482 1.00 24.21 H new ATOM 0 HG23 ILE A 30 13.329 -3.661 8.651 1.00 24.21 H new ATOM 0 HD11 ILE A 30 16.258 -4.431 10.822 1.00 0.25 H new ATOM 0 HD12 ILE A 30 14.649 -4.511 10.065 1.00 0.25 H new ATOM 0 HD13 ILE A 30 16.100 -4.911 9.115 1.00 0.25 H new ATOM 434 N PHE A 31 14.323 -3.780 4.983 1.00 14.25 N ATOM 435 CA PHE A 31 13.731 -3.414 3.702 1.00 53.20 C ATOM 436 C PHE A 31 12.258 -3.808 3.651 1.00 74.52 C ATOM 437 O PHE A 31 11.735 -4.425 4.580 1.00 71.43 O ATOM 438 CB PHE A 31 14.490 -4.084 2.555 1.00 20.43 C ATOM 439 CG PHE A 31 15.980 -4.090 2.746 1.00 71.44 C ATOM 440 CD1 PHE A 31 16.646 -2.941 3.140 1.00 71.13 C ATOM 441 CD2 PHE A 31 16.715 -5.245 2.530 1.00 75.23 C ATOM 442 CE1 PHE A 31 18.017 -2.943 3.316 1.00 32.20 C ATOM 443 CE2 PHE A 31 18.085 -5.253 2.705 1.00 64.51 C ATOM 444 CZ PHE A 31 18.738 -4.101 3.097 1.00 15.23 C ATOM 0 H PHE A 31 14.194 -4.758 5.243 1.00 14.25 H new ATOM 0 HA PHE A 31 13.803 -2.332 3.593 1.00 53.20 H new ATOM 0 HB2 PHE A 31 14.141 -5.111 2.450 1.00 20.43 H new ATOM 0 HB3 PHE A 31 14.253 -3.570 1.624 1.00 20.43 H new ATOM 0 HD1 PHE A 31 16.087 -2.033 3.312 1.00 71.13 H new ATOM 0 HD2 PHE A 31 16.211 -6.149 2.221 1.00 75.23 H new ATOM 0 HE1 PHE A 31 18.524 -2.041 3.624 1.00 32.20 H new ATOM 0 HE2 PHE A 31 18.646 -6.160 2.535 1.00 64.51 H new ATOM 0 HZ PHE A 31 19.810 -4.105 3.232 1.00 15.23 H new ATOM 454 N THR A 32 11.592 -3.447 2.558 1.00 31.41 N ATOM 455 CA THR A 32 10.179 -3.761 2.385 1.00 22.21 C ATOM 456 C THR A 32 9.957 -5.267 2.296 1.00 3.32 C ATOM 457 O THR A 32 8.824 -5.742 2.364 1.00 15.31 O ATOM 458 CB THR A 32 9.606 -3.094 1.121 1.00 42.33 C ATOM 459 OG1 THR A 32 10.037 -1.730 1.048 1.00 20.05 O ATOM 460 CG2 THR A 32 8.086 -3.151 1.120 1.00 61.31 C ATOM 0 H THR A 32 12.009 -2.937 1.779 1.00 31.41 H new ATOM 0 HA THR A 32 9.659 -3.371 3.260 1.00 22.21 H new ATOM 0 HB THR A 32 9.975 -3.638 0.252 1.00 42.33 H new ATOM 0 HG1 THR A 32 9.670 -1.314 0.240 1.00 20.05 H new ATOM 0 HG21 THR A 32 7.705 -2.674 0.217 1.00 61.31 H new ATOM 0 HG22 THR A 32 7.761 -4.191 1.146 1.00 61.31 H new ATOM 0 HG23 THR A 32 7.702 -2.629 1.996 1.00 61.31 H new ATOM 468 N ASP A 33 11.046 -6.012 2.145 1.00 61.44 N ATOM 469 CA ASP A 33 10.970 -7.466 2.048 1.00 3.43 C ATOM 470 C ASP A 33 10.917 -8.100 3.435 1.00 74.05 C ATOM 471 O ASP A 33 11.269 -9.266 3.608 1.00 2.33 O ATOM 472 CB ASP A 33 12.170 -8.010 1.271 1.00 52.21 C ATOM 473 CG ASP A 33 12.014 -9.476 0.918 1.00 23.02 C ATOM 474 OD1 ASP A 33 11.263 -9.782 -0.032 1.00 11.24 O ATOM 475 OD2 ASP A 33 12.645 -10.318 1.591 1.00 15.35 O ATOM 0 H ASP A 33 11.992 -5.634 2.087 1.00 61.44 H new ATOM 0 HA ASP A 33 10.055 -7.723 1.515 1.00 3.43 H new ATOM 0 HB2 ASP A 33 12.300 -7.431 0.357 1.00 52.21 H new ATOM 0 HB3 ASP A 33 13.074 -7.876 1.864 1.00 52.21 H new ATOM 480 N ASN A 34 10.474 -7.324 4.418 1.00 12.33 N ATOM 481 CA ASN A 34 10.376 -7.809 5.790 1.00 75.41 C ATOM 482 C ASN A 34 11.761 -8.021 6.393 1.00 41.33 C ATOM 483 O ASN A 34 12.063 -9.091 6.921 1.00 12.32 O ATOM 484 CB ASN A 34 9.583 -9.117 5.834 1.00 31.34 C ATOM 485 CG ASN A 34 8.454 -9.144 4.822 1.00 63.12 C ATOM 486 OD1 ASN A 34 8.400 -10.021 3.960 1.00 74.23 O ATOM 487 ND2 ASN A 34 7.547 -8.180 4.922 1.00 13.11 N ATOM 0 H ASN A 34 10.177 -6.357 4.290 1.00 12.33 H new ATOM 0 HA ASN A 34 9.855 -7.055 6.379 1.00 75.41 H new ATOM 0 HB2 ASN A 34 10.256 -9.953 5.645 1.00 31.34 H new ATOM 0 HB3 ASN A 34 9.174 -9.257 6.834 1.00 31.34 H new ATOM 0 HD21 ASN A 34 6.765 -8.146 4.268 1.00 13.11 H new ATOM 0 HD22 ASN A 34 7.632 -7.474 5.653 1.00 13.11 H new ATOM 494 N SER A 35 12.600 -6.993 6.310 1.00 55.32 N ATOM 495 CA SER A 35 13.954 -7.066 6.844 1.00 24.31 C ATOM 496 C SER A 35 14.713 -8.245 6.242 1.00 74.14 C ATOM 497 O SER A 35 14.598 -9.376 6.712 1.00 71.25 O ATOM 498 CB SER A 35 13.918 -7.194 8.368 1.00 10.12 C ATOM 499 OG SER A 35 15.227 -7.214 8.910 1.00 64.54 O ATOM 0 H SER A 35 12.365 -6.100 5.878 1.00 55.32 H new ATOM 0 HA SER A 35 14.473 -6.146 6.576 1.00 24.31 H new ATOM 0 HB2 SER A 35 13.358 -6.361 8.793 1.00 10.12 H new ATOM 0 HB3 SER A 35 13.392 -8.107 8.647 1.00 10.12 H new ATOM 0 HG SER A 35 15.176 -7.295 9.885 1.00 64.54 H new ATOM 505 N ASN A 36 15.488 -7.971 5.198 1.00 52.45 N ATOM 506 CA ASN A 36 16.265 -9.008 4.529 1.00 3.21 C ATOM 507 C ASN A 36 17.662 -9.116 5.134 1.00 34.13 C ATOM 508 O ASN A 36 18.109 -8.222 5.853 1.00 33.51 O ATOM 509 CB ASN A 36 16.368 -8.712 3.031 1.00 11.05 C ATOM 510 CG ASN A 36 16.740 -9.940 2.224 1.00 72.43 C ATOM 511 OD1 ASN A 36 17.681 -9.914 1.431 1.00 64.00 O ATOM 512 ND2 ASN A 36 16.000 -11.025 2.422 1.00 55.14 N ATOM 0 H ASN A 36 15.595 -7.039 4.797 1.00 52.45 H new ATOM 0 HA ASN A 36 15.752 -9.959 4.670 1.00 3.21 H new ATOM 0 HB2 ASN A 36 15.415 -8.321 2.674 1.00 11.05 H new ATOM 0 HB3 ASN A 36 17.113 -7.934 2.868 1.00 11.05 H new ATOM 0 HD21 ASN A 36 16.203 -11.882 1.907 1.00 55.14 H new ATOM 0 HD22 ASN A 36 15.229 -11.002 3.090 1.00 55.14 H new ATOM 519 N SER A 37 18.345 -10.217 4.838 1.00 45.43 N ATOM 520 CA SER A 37 19.690 -10.444 5.355 1.00 52.22 C ATOM 521 C SER A 37 20.741 -9.901 4.391 1.00 23.44 C ATOM 522 O SER A 37 20.474 -9.714 3.204 1.00 33.14 O ATOM 523 CB SER A 37 19.922 -11.937 5.593 1.00 71.11 C ATOM 524 OG SER A 37 19.762 -12.266 6.962 1.00 5.00 O ATOM 0 H SER A 37 17.990 -10.966 4.243 1.00 45.43 H new ATOM 0 HA SER A 37 19.783 -9.914 6.303 1.00 52.22 H new ATOM 0 HB2 SER A 37 19.222 -12.517 4.992 1.00 71.11 H new ATOM 0 HB3 SER A 37 20.925 -12.209 5.265 1.00 71.11 H new ATOM 0 HG SER A 37 19.914 -13.226 7.088 1.00 5.00 H new ATOM 530 N ASP A 38 21.938 -9.651 4.911 1.00 32.35 N ATOM 531 CA ASP A 38 23.031 -9.131 4.099 1.00 63.43 C ATOM 532 C ASP A 38 23.407 -10.118 2.998 1.00 22.50 C ATOM 533 O ASP A 38 24.049 -11.137 3.257 1.00 11.01 O ATOM 534 CB ASP A 38 24.250 -8.836 4.974 1.00 21.02 C ATOM 535 CG ASP A 38 24.704 -7.393 4.868 1.00 74.35 C ATOM 536 OD1 ASP A 38 23.836 -6.508 4.717 1.00 53.21 O ATOM 537 OD2 ASP A 38 25.926 -7.150 4.936 1.00 43.44 O ATOM 0 H ASP A 38 22.175 -9.800 5.892 1.00 32.35 H new ATOM 0 HA ASP A 38 22.695 -8.204 3.633 1.00 63.43 H new ATOM 0 HB2 ASP A 38 24.011 -9.063 6.013 1.00 21.02 H new ATOM 0 HB3 ASP A 38 25.069 -9.494 4.684 1.00 21.02 H new ATOM 542 N ILE A 39 23.003 -9.810 1.771 1.00 73.35 N ATOM 543 CA ILE A 39 23.297 -10.670 0.631 1.00 23.31 C ATOM 544 C ILE A 39 22.788 -10.055 -0.668 1.00 32.40 C ATOM 545 O ILE A 39 23.400 -10.213 -1.725 1.00 0.30 O ATOM 546 CB ILE A 39 22.673 -12.067 0.804 1.00 31.51 C ATOM 547 CG1 ILE A 39 23.024 -12.958 -0.390 1.00 34.14 C ATOM 548 CG2 ILE A 39 21.164 -11.957 0.964 1.00 20.25 C ATOM 549 CD1 ILE A 39 24.509 -13.193 -0.552 1.00 70.23 C ATOM 0 H ILE A 39 22.471 -8.971 1.540 1.00 73.35 H new ATOM 0 HA ILE A 39 24.381 -10.769 0.582 1.00 23.31 H new ATOM 0 HB ILE A 39 23.082 -12.522 1.706 1.00 31.51 H new ATOM 0 HG12 ILE A 39 22.523 -13.919 -0.276 1.00 34.14 H new ATOM 0 HG13 ILE A 39 22.635 -12.502 -1.300 1.00 34.14 H new ATOM 0 HG21 ILE A 39 20.737 -12.953 1.085 1.00 20.25 H new ATOM 0 HG22 ILE A 39 20.934 -11.354 1.843 1.00 20.25 H new ATOM 0 HG23 ILE A 39 20.738 -11.485 0.079 1.00 20.25 H new ATOM 0 HD11 ILE A 39 24.684 -13.832 -1.417 1.00 70.23 H new ATOM 0 HD12 ILE A 39 25.015 -12.238 -0.698 1.00 70.23 H new ATOM 0 HD13 ILE A 39 24.900 -13.678 0.342 1.00 70.23 H new ATOM 561 N THR A 40 21.663 -9.352 -0.582 1.00 50.13 N ATOM 562 CA THR A 40 21.071 -8.712 -1.750 1.00 72.22 C ATOM 563 C THR A 40 22.093 -7.850 -2.482 1.00 13.40 C ATOM 564 O THR A 40 22.172 -7.872 -3.710 1.00 51.23 O ATOM 565 CB THR A 40 19.864 -7.838 -1.360 1.00 75.55 C ATOM 566 OG1 THR A 40 18.818 -8.658 -0.827 1.00 35.00 O ATOM 567 CG2 THR A 40 19.345 -7.065 -2.563 1.00 51.41 C ATOM 0 H THR A 40 21.144 -9.212 0.285 1.00 50.13 H new ATOM 0 HA THR A 40 20.734 -9.510 -2.411 1.00 72.22 H new ATOM 0 HB THR A 40 20.189 -7.125 -0.602 1.00 75.55 H new ATOM 0 HG1 THR A 40 18.946 -8.764 0.139 1.00 35.00 H new ATOM 0 HG21 THR A 40 18.493 -6.455 -2.263 1.00 51.41 H new ATOM 0 HG22 THR A 40 20.135 -6.421 -2.950 1.00 51.41 H new ATOM 0 HG23 THR A 40 19.035 -7.765 -3.339 1.00 51.41 H new ATOM 575 N ASP A 41 22.873 -7.091 -1.720 1.00 64.23 N ATOM 576 CA ASP A 41 23.893 -6.222 -2.297 1.00 35.01 C ATOM 577 C ASP A 41 25.247 -6.923 -2.334 1.00 10.13 C ATOM 578 O ASP A 41 26.261 -6.315 -2.675 1.00 61.24 O ATOM 579 CB ASP A 41 23.998 -4.923 -1.496 1.00 70.21 C ATOM 580 CG ASP A 41 24.785 -3.854 -2.228 1.00 52.13 C ATOM 581 OD1 ASP A 41 24.403 -3.511 -3.367 1.00 12.31 O ATOM 582 OD2 ASP A 41 25.782 -3.360 -1.662 1.00 51.43 O ATOM 0 H ASP A 41 22.819 -7.060 -0.702 1.00 64.23 H new ATOM 0 HA ASP A 41 23.599 -5.986 -3.320 1.00 35.01 H new ATOM 0 HB2 ASP A 41 22.997 -4.550 -1.281 1.00 70.21 H new ATOM 0 HB3 ASP A 41 24.474 -5.128 -0.537 1.00 70.21 H new ATOM 587 N GLN A 42 25.255 -8.204 -1.979 1.00 13.44 N ATOM 588 CA GLN A 42 26.485 -8.986 -1.970 1.00 2.15 C ATOM 589 C GLN A 42 27.436 -8.493 -0.884 1.00 12.33 C ATOM 590 O GLN A 42 28.604 -8.878 -0.845 1.00 45.13 O ATOM 591 CB GLN A 42 27.170 -8.914 -3.335 1.00 45.42 C ATOM 592 CG GLN A 42 27.966 -10.161 -3.683 1.00 65.12 C ATOM 593 CD GLN A 42 27.770 -10.596 -5.122 1.00 61.21 C ATOM 594 OE1 GLN A 42 26.750 -11.192 -5.469 1.00 14.41 O ATOM 595 NE2 GLN A 42 28.749 -10.300 -5.969 1.00 70.41 N ATOM 0 H GLN A 42 24.424 -8.722 -1.694 1.00 13.44 H new ATOM 0 HA GLN A 42 26.225 -10.023 -1.756 1.00 2.15 H new ATOM 0 HB2 GLN A 42 26.414 -8.749 -4.103 1.00 45.42 H new ATOM 0 HB3 GLN A 42 27.836 -8.051 -3.353 1.00 45.42 H new ATOM 0 HG2 GLN A 42 29.025 -9.973 -3.505 1.00 65.12 H new ATOM 0 HG3 GLN A 42 27.671 -10.973 -3.019 1.00 65.12 H new ATOM 0 HE21 GLN A 42 29.577 -9.805 -5.638 1.00 70.41 H new ATOM 0 HE22 GLN A 42 28.673 -10.568 -6.950 1.00 70.41 H new ATOM 604 N VAL A 43 26.927 -7.638 -0.002 1.00 50.42 N ATOM 605 CA VAL A 43 27.730 -7.092 1.085 1.00 5.02 C ATOM 606 C VAL A 43 29.046 -6.523 0.565 1.00 72.42 C ATOM 607 O VAL A 43 30.048 -7.233 0.469 1.00 52.02 O ATOM 608 CB VAL A 43 28.032 -8.162 2.151 1.00 4.34 C ATOM 609 CG1 VAL A 43 28.698 -7.533 3.366 1.00 45.44 C ATOM 610 CG2 VAL A 43 26.758 -8.891 2.550 1.00 41.40 C ATOM 0 H VAL A 43 25.962 -7.309 -0.020 1.00 50.42 H new ATOM 0 HA VAL A 43 27.146 -6.291 1.539 1.00 5.02 H new ATOM 0 HB VAL A 43 28.722 -8.890 1.724 1.00 4.34 H new ATOM 0 HG11 VAL A 43 28.904 -8.304 4.108 1.00 45.44 H new ATOM 0 HG12 VAL A 43 29.633 -7.061 3.065 1.00 45.44 H new ATOM 0 HG13 VAL A 43 28.035 -6.783 3.797 1.00 45.44 H new ATOM 0 HG21 VAL A 43 26.990 -9.643 3.304 1.00 41.40 H new ATOM 0 HG22 VAL A 43 26.043 -8.177 2.958 1.00 41.40 H new ATOM 0 HG23 VAL A 43 26.327 -9.376 1.674 1.00 41.40 H new ATOM 620 N THR A 44 29.037 -5.237 0.230 1.00 52.23 N ATOM 621 CA THR A 44 30.229 -4.572 -0.282 1.00 15.12 C ATOM 622 C THR A 44 31.229 -4.300 0.836 1.00 61.53 C ATOM 623 O THR A 44 30.976 -3.486 1.724 1.00 62.15 O ATOM 624 CB THR A 44 29.876 -3.242 -0.974 1.00 42.22 C ATOM 625 OG1 THR A 44 28.522 -3.275 -1.439 1.00 62.11 O ATOM 626 CG2 THR A 44 30.813 -2.976 -2.143 1.00 54.51 C ATOM 0 H THR A 44 28.217 -4.635 0.304 1.00 52.23 H new ATOM 0 HA THR A 44 30.678 -5.245 -1.012 1.00 15.12 H new ATOM 0 HB THR A 44 29.990 -2.438 -0.247 1.00 42.22 H new ATOM 0 HG1 THR A 44 27.939 -2.844 -0.780 1.00 62.11 H new ATOM 0 HG21 THR A 44 30.545 -2.032 -2.617 1.00 54.51 H new ATOM 0 HG22 THR A 44 31.840 -2.922 -1.781 1.00 54.51 H new ATOM 0 HG23 THR A 44 30.726 -3.784 -2.870 1.00 54.51 H new ATOM 634 N TRP A 45 32.365 -4.987 0.786 1.00 40.45 N ATOM 635 CA TRP A 45 33.405 -4.818 1.795 1.00 74.24 C ATOM 636 C TRP A 45 34.777 -4.685 1.145 1.00 44.31 C ATOM 637 O TRP A 45 35.054 -5.312 0.122 1.00 53.41 O ATOM 638 CB TRP A 45 33.399 -6.001 2.765 1.00 53.42 C ATOM 639 CG TRP A 45 33.383 -5.587 4.205 1.00 33.03 C ATOM 640 CD1 TRP A 45 34.224 -4.699 4.813 1.00 64.45 C ATOM 641 CD2 TRP A 45 32.482 -6.046 5.219 1.00 72.52 C ATOM 642 NE1 TRP A 45 33.901 -4.579 6.143 1.00 61.44 N ATOM 643 CE2 TRP A 45 32.835 -5.395 6.417 1.00 41.23 C ATOM 644 CE3 TRP A 45 31.410 -6.943 5.231 1.00 61.12 C ATOM 645 CZ2 TRP A 45 32.155 -5.614 7.612 1.00 53.15 C ATOM 646 CZ3 TRP A 45 30.736 -7.160 6.418 1.00 41.24 C ATOM 647 CH2 TRP A 45 31.110 -6.497 7.594 1.00 34.03 C ATOM 0 H TRP A 45 32.589 -5.666 0.058 1.00 40.45 H new ATOM 0 HA TRP A 45 33.195 -3.902 2.348 1.00 74.24 H new ATOM 0 HB2 TRP A 45 32.527 -6.623 2.563 1.00 53.42 H new ATOM 0 HB3 TRP A 45 34.279 -6.617 2.581 1.00 53.42 H new ATOM 0 HD1 TRP A 45 35.026 -4.169 4.320 1.00 64.45 H new ATOM 0 HE1 TRP A 45 34.377 -3.980 6.817 1.00 61.44 H new ATOM 0 HE3 TRP A 45 31.114 -7.457 4.329 1.00 61.12 H new ATOM 0 HZ2 TRP A 45 32.442 -5.105 8.520 1.00 53.15 H new ATOM 0 HZ3 TRP A 45 29.907 -7.852 6.439 1.00 41.24 H new ATOM 0 HH2 TRP A 45 30.562 -6.687 8.505 1.00 34.03 H new ATOM 658 N ASP A 46 35.634 -3.865 1.745 1.00 72.24 N ATOM 659 CA ASP A 46 36.979 -3.651 1.224 1.00 2.03 C ATOM 660 C ASP A 46 38.017 -3.768 2.336 1.00 30.12 C ATOM 661 O ASP A 46 37.761 -3.391 3.480 1.00 43.23 O ATOM 662 CB ASP A 46 37.079 -2.277 0.559 1.00 20.32 C ATOM 663 CG ASP A 46 37.403 -2.372 -0.919 1.00 2.22 C ATOM 664 OD1 ASP A 46 36.721 -3.141 -1.628 1.00 65.40 O ATOM 665 OD2 ASP A 46 38.338 -1.675 -1.366 1.00 71.54 O ATOM 0 H ASP A 46 35.421 -3.338 2.592 1.00 72.24 H new ATOM 0 HA ASP A 46 37.181 -4.422 0.480 1.00 2.03 H new ATOM 0 HB2 ASP A 46 36.137 -1.745 0.688 1.00 20.32 H new ATOM 0 HB3 ASP A 46 37.848 -1.689 1.060 1.00 20.32 H new ATOM 670 N SER A 47 39.188 -4.295 1.993 1.00 41.43 N ATOM 671 CA SER A 47 40.263 -4.466 2.963 1.00 61.21 C ATOM 672 C SER A 47 41.552 -3.819 2.466 1.00 41.22 C ATOM 673 O SER A 47 41.803 -3.753 1.262 1.00 33.14 O ATOM 674 CB SER A 47 40.499 -5.953 3.237 1.00 14.22 C ATOM 675 OG SER A 47 41.021 -6.155 4.539 1.00 42.32 O ATOM 0 H SER A 47 39.416 -4.611 1.050 1.00 41.43 H new ATOM 0 HA SER A 47 39.964 -3.975 3.889 1.00 61.21 H new ATOM 0 HB2 SER A 47 39.562 -6.499 3.129 1.00 14.22 H new ATOM 0 HB3 SER A 47 41.191 -6.357 2.498 1.00 14.22 H new ATOM 0 HG SER A 47 40.866 -7.083 4.813 1.00 42.32 H new ATOM 681 N SER A 48 42.366 -3.342 3.402 1.00 44.23 N ATOM 682 CA SER A 48 43.628 -2.696 3.060 1.00 3.41 C ATOM 683 C SER A 48 44.513 -3.630 2.241 1.00 71.52 C ATOM 684 O SER A 48 44.132 -4.762 1.944 1.00 12.15 O ATOM 685 CB SER A 48 44.363 -2.262 4.330 1.00 45.44 C ATOM 686 OG SER A 48 44.912 -0.963 4.183 1.00 75.11 O ATOM 0 H SER A 48 42.174 -3.391 4.403 1.00 44.23 H new ATOM 0 HA SER A 48 43.405 -1.815 2.458 1.00 3.41 H new ATOM 0 HB2 SER A 48 43.675 -2.276 5.175 1.00 45.44 H new ATOM 0 HB3 SER A 48 45.158 -2.973 4.555 1.00 45.44 H new ATOM 0 HG SER A 48 45.375 -0.708 5.008 1.00 75.11 H new ATOM 692 N ASN A 49 45.697 -3.148 1.878 1.00 11.41 N ATOM 693 CA ASN A 49 46.637 -3.939 1.092 1.00 12.14 C ATOM 694 C ASN A 49 48.048 -3.832 1.663 1.00 52.22 C ATOM 695 O ASN A 49 48.998 -3.515 0.946 1.00 54.32 O ATOM 696 CB ASN A 49 46.628 -3.478 -0.367 1.00 22.43 C ATOM 697 CG ASN A 49 45.448 -4.033 -1.141 1.00 11.31 C ATOM 698 OD1 ASN A 49 44.735 -4.914 -0.661 1.00 20.13 O ATOM 699 ND2 ASN A 49 45.236 -3.517 -2.346 1.00 64.12 N ATOM 0 H ASN A 49 46.029 -2.213 2.116 1.00 11.41 H new ATOM 0 HA ASN A 49 46.324 -4.982 1.138 1.00 12.14 H new ATOM 0 HB2 ASN A 49 46.601 -2.389 -0.401 1.00 22.43 H new ATOM 0 HB3 ASN A 49 47.554 -3.789 -0.849 1.00 22.43 H new ATOM 0 HD21 ASN A 49 44.456 -3.850 -2.913 1.00 64.12 H new ATOM 0 HD22 ASN A 49 45.853 -2.788 -2.704 1.00 64.12 H new ATOM 706 N THR A 50 48.178 -4.099 2.959 1.00 64.14 N ATOM 707 CA THR A 50 49.472 -4.033 3.626 1.00 3.41 C ATOM 708 C THR A 50 50.327 -5.250 3.292 1.00 54.02 C ATOM 709 O THR A 50 51.556 -5.184 3.320 1.00 33.30 O ATOM 710 CB THR A 50 49.311 -3.937 5.155 1.00 3.30 C ATOM 711 OG1 THR A 50 48.370 -2.909 5.485 1.00 24.01 O ATOM 712 CG2 THR A 50 50.646 -3.642 5.822 1.00 24.32 C ATOM 0 H THR A 50 47.403 -4.363 3.567 1.00 64.14 H new ATOM 0 HA THR A 50 49.969 -3.133 3.262 1.00 3.41 H new ATOM 0 HB THR A 50 48.944 -4.896 5.520 1.00 3.30 H new ATOM 0 HG1 THR A 50 48.500 -2.633 6.416 1.00 24.01 H new ATOM 0 HG21 THR A 50 50.507 -3.579 6.901 1.00 24.32 H new ATOM 0 HG22 THR A 50 51.352 -4.441 5.593 1.00 24.32 H new ATOM 0 HG23 THR A 50 51.037 -2.695 5.450 1.00 24.32 H new ATOM 720 N ASP A 51 49.669 -6.360 2.975 1.00 54.41 N ATOM 721 CA ASP A 51 50.369 -7.592 2.633 1.00 34.41 C ATOM 722 C ASP A 51 49.383 -8.678 2.211 1.00 1.22 C ATOM 723 O ASP A 51 49.385 -9.118 1.061 1.00 33.02 O ATOM 724 CB ASP A 51 51.202 -8.077 3.820 1.00 3.34 C ATOM 725 CG ASP A 51 52.456 -8.810 3.387 1.00 60.44 C ATOM 726 OD1 ASP A 51 52.998 -8.476 2.312 1.00 73.12 O ATOM 727 OD2 ASP A 51 52.896 -9.718 4.122 1.00 22.22 O ATOM 0 H ASP A 51 48.652 -6.431 2.948 1.00 54.41 H new ATOM 0 HA ASP A 51 51.033 -7.382 1.794 1.00 34.41 H new ATOM 0 HB2 ASP A 51 51.479 -7.223 4.438 1.00 3.34 H new ATOM 0 HB3 ASP A 51 50.595 -8.737 4.440 1.00 3.34 H new ATOM 732 N ILE A 52 48.544 -9.105 3.149 1.00 43.01 N ATOM 733 CA ILE A 52 47.554 -10.139 2.874 1.00 40.42 C ATOM 734 C ILE A 52 46.224 -9.819 3.547 1.00 12.42 C ATOM 735 O ILE A 52 46.135 -9.757 4.774 1.00 5.23 O ATOM 736 CB ILE A 52 48.037 -11.522 3.349 1.00 42.25 C ATOM 737 CG1 ILE A 52 49.392 -11.856 2.721 1.00 51.02 C ATOM 738 CG2 ILE A 52 47.009 -12.589 3.003 1.00 25.01 C ATOM 739 CD1 ILE A 52 50.021 -13.115 3.275 1.00 12.15 C ATOM 0 H ILE A 52 48.530 -8.751 4.106 1.00 43.01 H new ATOM 0 HA ILE A 52 47.415 -10.163 1.793 1.00 40.42 H new ATOM 0 HB ILE A 52 48.156 -11.497 4.432 1.00 42.25 H new ATOM 0 HG12 ILE A 52 49.267 -11.966 1.644 1.00 51.02 H new ATOM 0 HG13 ILE A 52 50.073 -11.020 2.879 1.00 51.02 H new ATOM 0 HG21 ILE A 52 47.364 -13.561 3.345 1.00 25.01 H new ATOM 0 HG22 ILE A 52 46.063 -12.356 3.492 1.00 25.01 H new ATOM 0 HG23 ILE A 52 46.862 -12.616 1.923 1.00 25.01 H new ATOM 0 HD11 ILE A 52 50.978 -13.290 2.784 1.00 12.15 H new ATOM 0 HD12 ILE A 52 50.178 -13.002 4.348 1.00 12.15 H new ATOM 0 HD13 ILE A 52 49.360 -13.962 3.093 1.00 12.15 H new ATOM 751 N LEU A 53 45.190 -9.617 2.737 1.00 23.52 N ATOM 752 CA LEU A 53 43.862 -9.306 3.254 1.00 3.42 C ATOM 753 C LEU A 53 42.778 -9.934 2.385 1.00 41.25 C ATOM 754 O LEU A 53 42.761 -9.751 1.167 1.00 1.14 O ATOM 755 CB LEU A 53 43.663 -7.791 3.323 1.00 50.54 C ATOM 756 CG LEU A 53 44.718 -7.010 4.107 1.00 13.53 C ATOM 757 CD1 LEU A 53 45.904 -6.672 3.217 1.00 12.03 C ATOM 758 CD2 LEU A 53 44.114 -5.743 4.698 1.00 62.53 C ATOM 0 H LEU A 53 45.246 -9.663 1.720 1.00 23.52 H new ATOM 0 HA LEU A 53 43.783 -9.723 4.258 1.00 3.42 H new ATOM 0 HB2 LEU A 53 43.634 -7.402 2.305 1.00 50.54 H new ATOM 0 HB3 LEU A 53 42.688 -7.593 3.768 1.00 50.54 H new ATOM 0 HG LEU A 53 45.072 -7.637 4.926 1.00 13.53 H new ATOM 0 HD11 LEU A 53 46.644 -6.116 3.793 1.00 12.03 H new ATOM 0 HD12 LEU A 53 46.352 -7.592 2.843 1.00 12.03 H new ATOM 0 HD13 LEU A 53 45.567 -6.065 2.377 1.00 12.03 H new ATOM 0 HD21 LEU A 53 44.879 -5.200 5.253 1.00 62.53 H new ATOM 0 HD22 LEU A 53 43.732 -5.113 3.895 1.00 62.53 H new ATOM 0 HD23 LEU A 53 43.298 -6.008 5.370 1.00 62.53 H new ATOM 770 N SER A 54 41.873 -10.673 3.018 1.00 62.31 N ATOM 771 CA SER A 54 40.786 -11.330 2.302 1.00 72.01 C ATOM 772 C SER A 54 39.469 -11.182 3.059 1.00 44.44 C ATOM 773 O SER A 54 39.378 -11.520 4.239 1.00 71.31 O ATOM 774 CB SER A 54 41.104 -12.812 2.096 1.00 64.11 C ATOM 775 OG SER A 54 41.263 -13.113 0.720 1.00 34.43 O ATOM 0 H SER A 54 41.871 -10.832 4.026 1.00 62.31 H new ATOM 0 HA SER A 54 40.683 -10.849 1.329 1.00 72.01 H new ATOM 0 HB2 SER A 54 42.015 -13.070 2.636 1.00 64.11 H new ATOM 0 HB3 SER A 54 40.302 -13.421 2.514 1.00 64.11 H new ATOM 0 HG SER A 54 41.467 -14.066 0.615 1.00 34.43 H new ATOM 781 N ILE A 55 38.453 -10.673 2.370 1.00 11.04 N ATOM 782 CA ILE A 55 37.141 -10.480 2.976 1.00 22.42 C ATOM 783 C ILE A 55 36.088 -11.348 2.295 1.00 24.22 C ATOM 784 O ILE A 55 35.954 -11.334 1.072 1.00 50.23 O ATOM 785 CB ILE A 55 36.699 -9.007 2.906 1.00 45.33 C ATOM 786 CG1 ILE A 55 36.940 -8.446 1.503 1.00 44.13 C ATOM 787 CG2 ILE A 55 37.441 -8.181 3.947 1.00 71.15 C ATOM 788 CD1 ILE A 55 38.315 -7.842 1.321 1.00 3.12 C ATOM 0 H ILE A 55 38.513 -10.387 1.393 1.00 11.04 H new ATOM 0 HA ILE A 55 37.231 -10.774 4.022 1.00 22.42 H new ATOM 0 HB ILE A 55 35.632 -8.953 3.121 1.00 45.33 H new ATOM 0 HG12 ILE A 55 36.803 -9.244 0.773 1.00 44.13 H new ATOM 0 HG13 ILE A 55 36.188 -7.687 1.290 1.00 44.13 H new ATOM 0 HG21 ILE A 55 37.118 -7.142 3.885 1.00 71.15 H new ATOM 0 HG22 ILE A 55 37.224 -8.570 4.942 1.00 71.15 H new ATOM 0 HG23 ILE A 55 38.513 -8.239 3.761 1.00 71.15 H new ATOM 0 HD11 ILE A 55 38.415 -7.465 0.303 1.00 3.12 H new ATOM 0 HD12 ILE A 55 38.449 -7.022 2.027 1.00 3.12 H new ATOM 0 HD13 ILE A 55 39.074 -8.603 1.502 1.00 3.12 H new ATOM 800 N SER A 56 35.342 -12.102 3.096 1.00 23.04 N ATOM 801 CA SER A 56 34.302 -12.978 2.571 1.00 32.31 C ATOM 802 C SER A 56 32.953 -12.663 3.210 1.00 34.31 C ATOM 803 O SER A 56 32.748 -12.897 4.400 1.00 32.13 O ATOM 804 CB SER A 56 34.666 -14.443 2.818 1.00 24.34 C ATOM 805 OG SER A 56 35.008 -15.095 1.608 1.00 63.25 O ATOM 0 H SER A 56 35.439 -12.124 4.111 1.00 23.04 H new ATOM 0 HA SER A 56 34.225 -12.806 1.497 1.00 32.31 H new ATOM 0 HB2 SER A 56 35.502 -14.501 3.515 1.00 24.34 H new ATOM 0 HB3 SER A 56 33.826 -14.956 3.286 1.00 24.34 H new ATOM 0 HG SER A 56 35.238 -16.029 1.794 1.00 63.25 H new ATOM 811 N ASN A 57 32.035 -12.131 2.409 1.00 5.20 N ATOM 812 CA ASN A 57 30.705 -11.782 2.895 1.00 24.53 C ATOM 813 C ASN A 57 29.638 -12.142 1.866 1.00 44.34 C ATOM 814 O ASN A 57 28.686 -11.391 1.656 1.00 30.21 O ATOM 815 CB ASN A 57 30.634 -10.289 3.221 1.00 35.30 C ATOM 816 CG ASN A 57 31.930 -9.762 3.805 1.00 12.12 C ATOM 817 OD1 ASN A 57 32.116 -9.750 5.022 1.00 32.21 O ATOM 818 ND2 ASN A 57 32.834 -9.322 2.938 1.00 53.24 N ATOM 0 H ASN A 57 32.188 -11.932 1.420 1.00 5.20 H new ATOM 0 HA ASN A 57 30.515 -12.354 3.803 1.00 24.53 H new ATOM 0 HB2 ASN A 57 30.395 -9.733 2.314 1.00 35.30 H new ATOM 0 HB3 ASN A 57 29.822 -10.112 3.927 1.00 35.30 H new ATOM 0 HD21 ASN A 57 33.725 -8.955 3.272 1.00 53.24 H new ATOM 0 HD22 ASN A 57 32.637 -9.351 1.938 1.00 53.24 H new ATOM 825 N ALA A 58 29.805 -13.295 1.226 1.00 3.14 N ATOM 826 CA ALA A 58 28.856 -13.755 0.221 1.00 72.32 C ATOM 827 C ALA A 58 28.181 -15.052 0.656 1.00 65.15 C ATOM 828 O ALA A 58 27.087 -15.378 0.195 1.00 24.54 O ATOM 829 CB ALA A 58 29.555 -13.944 -1.117 1.00 74.34 C ATOM 0 H ALA A 58 30.589 -13.927 1.386 1.00 3.14 H new ATOM 0 HA ALA A 58 28.084 -12.994 0.111 1.00 72.32 H new ATOM 0 HB1 ALA A 58 28.834 -14.288 -1.859 1.00 74.34 H new ATOM 0 HB2 ALA A 58 29.984 -12.996 -1.440 1.00 74.34 H new ATOM 0 HB3 ALA A 58 30.348 -14.684 -1.012 1.00 74.34 H new ATOM 835 N SER A 59 28.842 -15.788 1.544 1.00 74.11 N ATOM 836 CA SER A 59 28.308 -17.052 2.037 1.00 34.13 C ATOM 837 C SER A 59 26.940 -16.849 2.682 1.00 72.30 C ATOM 838 O SER A 59 26.024 -17.649 2.486 1.00 42.41 O ATOM 839 CB SER A 59 29.272 -17.678 3.047 1.00 71.25 C ATOM 840 OG SER A 59 30.278 -18.431 2.391 1.00 31.13 O ATOM 0 H SER A 59 29.748 -15.531 1.936 1.00 74.11 H new ATOM 0 HA SER A 59 28.194 -17.726 1.188 1.00 34.13 H new ATOM 0 HB2 SER A 59 29.733 -16.895 3.648 1.00 71.25 H new ATOM 0 HB3 SER A 59 28.719 -18.322 3.732 1.00 71.25 H new ATOM 0 HG SER A 59 30.883 -18.820 3.057 1.00 31.13 H new ATOM 846 N ASP A 60 26.809 -15.775 3.452 1.00 44.42 N ATOM 847 CA ASP A 60 25.554 -15.464 4.126 1.00 73.55 C ATOM 848 C ASP A 60 25.594 -14.065 4.732 1.00 34.41 C ATOM 849 O ASP A 60 26.492 -13.276 4.439 1.00 73.31 O ATOM 850 CB ASP A 60 25.266 -16.498 5.215 1.00 21.43 C ATOM 851 CG ASP A 60 23.854 -17.044 5.137 1.00 31.42 C ATOM 852 OD1 ASP A 60 22.925 -16.358 5.613 1.00 71.21 O ATOM 853 OD2 ASP A 60 23.678 -18.157 4.600 1.00 74.45 O ATOM 0 H ASP A 60 27.558 -15.104 3.625 1.00 44.42 H new ATOM 0 HA ASP A 60 24.755 -15.496 3.385 1.00 73.55 H new ATOM 0 HB2 ASP A 60 25.976 -17.321 5.127 1.00 21.43 H new ATOM 0 HB3 ASP A 60 25.423 -16.044 6.193 1.00 21.43 H new ATOM 858 N SER A 61 24.614 -13.765 5.578 1.00 13.43 N ATOM 859 CA SER A 61 24.534 -12.459 6.223 1.00 51.24 C ATOM 860 C SER A 61 25.865 -12.092 6.872 1.00 15.54 C ATOM 861 O SER A 61 26.524 -11.134 6.466 1.00 32.11 O ATOM 862 CB SER A 61 23.421 -12.452 7.273 1.00 44.23 C ATOM 863 OG SER A 61 23.809 -11.718 8.421 1.00 11.23 O ATOM 0 H SER A 61 23.864 -14.408 5.833 1.00 13.43 H new ATOM 0 HA SER A 61 24.306 -11.716 5.458 1.00 51.24 H new ATOM 0 HB2 SER A 61 22.517 -12.016 6.847 1.00 44.23 H new ATOM 0 HB3 SER A 61 23.178 -13.476 7.557 1.00 44.23 H new ATOM 0 HG SER A 61 23.081 -11.727 9.077 1.00 11.23 H new ATOM 869 N HIS A 62 26.253 -12.860 7.885 1.00 4.10 N ATOM 870 CA HIS A 62 27.506 -12.617 8.592 1.00 12.21 C ATOM 871 C HIS A 62 28.675 -12.540 7.615 1.00 2.02 C ATOM 872 O HIS A 62 28.667 -13.188 6.570 1.00 61.23 O ATOM 873 CB HIS A 62 27.757 -13.719 9.621 1.00 23.32 C ATOM 874 CG HIS A 62 28.188 -15.019 9.014 1.00 43.44 C ATOM 875 ND1 HIS A 62 27.505 -15.631 7.984 1.00 22.54 N ATOM 876 CD2 HIS A 62 29.241 -15.821 9.295 1.00 62.41 C ATOM 877 CE1 HIS A 62 28.118 -16.756 7.660 1.00 3.21 C ATOM 878 NE2 HIS A 62 29.175 -16.894 8.440 1.00 22.12 N ATOM 0 H HIS A 62 25.719 -13.655 8.235 1.00 4.10 H new ATOM 0 HA HIS A 62 27.424 -11.661 9.108 1.00 12.21 H new ATOM 0 HB2 HIS A 62 28.522 -13.383 10.321 1.00 23.32 H new ATOM 0 HB3 HIS A 62 26.846 -13.881 10.197 1.00 23.32 H new ATOM 0 HD2 HIS A 62 29.993 -15.649 10.051 1.00 62.41 H new ATOM 0 HE1 HIS A 62 27.808 -17.445 6.889 1.00 3.21 H new ATOM 0 HE2 HIS A 62 29.835 -17.671 8.412 1.00 22.12 H new ATOM 886 N GLY A 63 29.680 -11.742 7.964 1.00 40.23 N ATOM 887 CA GLY A 63 30.842 -11.594 7.107 1.00 72.45 C ATOM 888 C GLY A 63 32.123 -12.035 7.786 1.00 61.22 C ATOM 889 O GLY A 63 32.455 -11.558 8.872 1.00 42.34 O ATOM 0 H GLY A 63 29.710 -11.196 8.825 1.00 40.23 H new ATOM 0 HA2 GLY A 63 30.696 -12.178 6.198 1.00 72.45 H new ATOM 0 HA3 GLY A 63 30.936 -10.551 6.804 1.00 72.45 H new ATOM 893 N LEU A 64 32.845 -12.950 7.147 1.00 13.25 N ATOM 894 CA LEU A 64 34.097 -13.457 7.698 1.00 71.14 C ATOM 895 C LEU A 64 35.292 -12.723 7.098 1.00 21.20 C ATOM 896 O LEU A 64 35.626 -12.911 5.929 1.00 73.54 O ATOM 897 CB LEU A 64 34.221 -14.959 7.434 1.00 44.20 C ATOM 898 CG LEU A 64 33.974 -15.410 5.994 1.00 23.21 C ATOM 899 CD1 LEU A 64 35.032 -16.413 5.560 1.00 1.01 C ATOM 900 CD2 LEU A 64 32.582 -16.007 5.854 1.00 75.01 C ATOM 0 H LEU A 64 32.585 -13.355 6.248 1.00 13.25 H new ATOM 0 HA LEU A 64 34.090 -13.283 8.774 1.00 71.14 H new ATOM 0 HB2 LEU A 64 35.221 -15.278 7.727 1.00 44.20 H new ATOM 0 HB3 LEU A 64 33.518 -15.481 8.083 1.00 44.20 H new ATOM 0 HG LEU A 64 34.041 -14.538 5.344 1.00 23.21 H new ATOM 0 HD11 LEU A 64 34.840 -16.723 4.533 1.00 1.01 H new ATOM 0 HD12 LEU A 64 36.018 -15.952 5.622 1.00 1.01 H new ATOM 0 HD13 LEU A 64 34.997 -17.284 6.214 1.00 1.01 H new ATOM 0 HD21 LEU A 64 32.423 -16.323 4.823 1.00 75.01 H new ATOM 0 HD22 LEU A 64 32.487 -16.868 6.516 1.00 75.01 H new ATOM 0 HD23 LEU A 64 31.836 -15.259 6.123 1.00 75.01 H new ATOM 912 N ALA A 65 35.934 -11.888 7.908 1.00 10.40 N ATOM 913 CA ALA A 65 37.095 -11.129 7.459 1.00 54.22 C ATOM 914 C ALA A 65 38.383 -11.698 8.044 1.00 54.00 C ATOM 915 O ALA A 65 38.514 -11.840 9.260 1.00 73.14 O ATOM 916 CB ALA A 65 36.944 -9.662 7.835 1.00 24.35 C ATOM 0 H ALA A 65 35.670 -11.720 8.879 1.00 10.40 H new ATOM 0 HA ALA A 65 37.154 -11.210 6.374 1.00 54.22 H new ATOM 0 HB1 ALA A 65 37.818 -9.107 7.494 1.00 24.35 H new ATOM 0 HB2 ALA A 65 36.049 -9.256 7.363 1.00 24.35 H new ATOM 0 HB3 ALA A 65 36.857 -9.571 8.918 1.00 24.35 H new ATOM 922 N SER A 66 39.331 -12.023 7.171 1.00 51.20 N ATOM 923 CA SER A 66 40.607 -12.581 7.601 1.00 24.14 C ATOM 924 C SER A 66 41.771 -11.748 7.072 1.00 32.10 C ATOM 925 O SER A 66 41.735 -11.256 5.944 1.00 65.04 O ATOM 926 CB SER A 66 40.742 -14.028 7.123 1.00 24.14 C ATOM 927 OG SER A 66 39.739 -14.850 7.695 1.00 4.23 O ATOM 0 H SER A 66 39.239 -11.909 6.162 1.00 51.20 H new ATOM 0 HA SER A 66 40.635 -12.561 8.690 1.00 24.14 H new ATOM 0 HB2 SER A 66 40.669 -14.063 6.036 1.00 24.14 H new ATOM 0 HB3 SER A 66 41.727 -14.412 7.389 1.00 24.14 H new ATOM 0 HG SER A 66 39.846 -15.769 7.373 1.00 4.23 H new ATOM 933 N THR A 67 42.803 -11.593 7.896 1.00 72.53 N ATOM 934 CA THR A 67 43.977 -10.820 7.513 1.00 40.41 C ATOM 935 C THR A 67 45.258 -11.489 7.996 1.00 64.52 C ATOM 936 O THR A 67 45.403 -11.796 9.180 1.00 34.20 O ATOM 937 CB THR A 67 43.915 -9.388 8.078 1.00 21.11 C ATOM 938 OG1 THR A 67 45.117 -8.681 7.753 1.00 10.32 O ATOM 939 CG2 THR A 67 43.726 -9.410 9.587 1.00 13.14 C ATOM 0 H THR A 67 42.849 -11.993 8.833 1.00 72.53 H new ATOM 0 HA THR A 67 43.983 -10.774 6.424 1.00 40.41 H new ATOM 0 HB THR A 67 43.062 -8.880 7.628 1.00 21.11 H new ATOM 0 HG1 THR A 67 45.410 -8.160 8.529 1.00 10.32 H new ATOM 0 HG21 THR A 67 43.685 -8.388 9.964 1.00 13.14 H new ATOM 0 HG22 THR A 67 42.796 -9.924 9.830 1.00 13.14 H new ATOM 0 HG23 THR A 67 44.562 -9.934 10.051 1.00 13.14 H new ATOM 947 N LEU A 68 46.187 -11.714 7.073 1.00 41.32 N ATOM 948 CA LEU A 68 47.459 -12.347 7.405 1.00 75.20 C ATOM 949 C LEU A 68 48.628 -11.423 7.082 1.00 62.25 C ATOM 950 O LEU A 68 49.665 -11.867 6.591 1.00 62.04 O ATOM 951 CB LEU A 68 47.609 -13.665 6.643 1.00 52.24 C ATOM 952 CG LEU A 68 46.406 -14.607 6.688 1.00 73.41 C ATOM 953 CD1 LEU A 68 45.673 -14.602 5.355 1.00 22.52 C ATOM 954 CD2 LEU A 68 46.847 -16.018 7.051 1.00 14.10 C ATOM 0 H LEU A 68 46.083 -11.467 6.089 1.00 41.32 H new ATOM 0 HA LEU A 68 47.467 -12.551 8.476 1.00 75.20 H new ATOM 0 HB2 LEU A 68 47.827 -13.436 5.600 1.00 52.24 H new ATOM 0 HB3 LEU A 68 48.475 -14.195 7.040 1.00 52.24 H new ATOM 0 HG LEU A 68 45.720 -14.253 7.457 1.00 73.41 H new ATOM 0 HD11 LEU A 68 44.820 -15.278 5.406 1.00 22.52 H new ATOM 0 HD12 LEU A 68 45.324 -13.593 5.136 1.00 22.52 H new ATOM 0 HD13 LEU A 68 46.350 -14.931 4.566 1.00 22.52 H new ATOM 0 HD21 LEU A 68 45.978 -16.675 7.078 1.00 14.10 H new ATOM 0 HD22 LEU A 68 47.553 -16.382 6.305 1.00 14.10 H new ATOM 0 HD23 LEU A 68 47.326 -16.009 8.030 1.00 14.10 H new ATOM 966 N ASN A 69 48.454 -10.136 7.362 1.00 11.24 N ATOM 967 CA ASN A 69 49.496 -9.149 7.103 1.00 51.01 C ATOM 968 C ASN A 69 50.304 -8.867 8.365 1.00 5.25 C ATOM 969 O ASN A 69 49.981 -9.362 9.445 1.00 55.34 O ATOM 970 CB ASN A 69 48.879 -7.851 6.578 1.00 12.02 C ATOM 971 CG ASN A 69 48.359 -6.965 7.694 1.00 20.53 C ATOM 972 OD1 ASN A 69 47.224 -7.119 8.146 1.00 51.44 O ATOM 973 ND2 ASN A 69 49.190 -6.033 8.145 1.00 52.43 N ATOM 0 H ASN A 69 47.601 -9.752 7.768 1.00 11.24 H new ATOM 0 HA ASN A 69 50.167 -9.556 6.347 1.00 51.01 H new ATOM 0 HB2 ASN A 69 49.625 -7.304 6.002 1.00 12.02 H new ATOM 0 HB3 ASN A 69 48.062 -8.090 5.897 1.00 12.02 H new ATOM 0 HD21 ASN A 69 48.897 -5.408 8.896 1.00 52.43 H new ATOM 0 HD22 ASN A 69 50.122 -5.942 7.740 1.00 52.43 H new ATOM 980 N GLN A 70 51.357 -8.068 8.221 1.00 30.04 N ATOM 981 CA GLN A 70 52.212 -7.720 9.350 1.00 34.24 C ATOM 982 C GLN A 70 52.087 -6.239 9.691 1.00 1.13 C ATOM 983 O GLN A 70 52.930 -5.430 9.306 1.00 51.14 O ATOM 984 CB GLN A 70 53.669 -8.063 9.038 1.00 23.13 C ATOM 985 CG GLN A 70 53.912 -9.548 8.821 1.00 20.05 C ATOM 986 CD GLN A 70 55.378 -9.921 8.925 1.00 52.05 C ATOM 987 OE1 GLN A 70 56.124 -9.340 9.713 1.00 21.11 O ATOM 988 NE2 GLN A 70 55.799 -10.895 8.126 1.00 34.12 N ATOM 0 H GLN A 70 51.638 -7.650 7.334 1.00 30.04 H new ATOM 0 HA GLN A 70 51.887 -8.301 10.213 1.00 34.24 H new ATOM 0 HB2 GLN A 70 53.979 -7.519 8.146 1.00 23.13 H new ATOM 0 HB3 GLN A 70 54.299 -7.716 9.857 1.00 23.13 H new ATOM 0 HG2 GLN A 70 53.343 -10.117 9.557 1.00 20.05 H new ATOM 0 HG3 GLN A 70 53.537 -9.834 7.838 1.00 20.05 H new ATOM 0 HE21 GLN A 70 55.146 -11.349 7.488 1.00 34.12 H new ATOM 0 HE22 GLN A 70 56.776 -11.189 8.151 1.00 34.12 H new ATOM 997 N GLY A 71 51.029 -5.890 10.417 1.00 31.41 N ATOM 998 CA GLY A 71 50.813 -4.507 10.797 1.00 3.52 C ATOM 999 C GLY A 71 49.356 -4.205 11.085 1.00 0.25 C ATOM 1000 O GLY A 71 48.684 -4.964 11.783 1.00 44.32 O ATOM 0 H GLY A 71 50.318 -6.541 10.749 1.00 31.41 H new ATOM 0 HA2 GLY A 71 51.409 -4.279 11.680 1.00 3.52 H new ATOM 0 HA3 GLY A 71 51.165 -3.855 9.998 1.00 3.52 H new ATOM 1004 N ASN A 72 48.866 -3.092 10.549 1.00 43.04 N ATOM 1005 CA ASN A 72 47.479 -2.690 10.754 1.00 24.30 C ATOM 1006 C ASN A 72 46.780 -2.450 9.420 1.00 55.50 C ATOM 1007 O ASN A 72 47.378 -1.931 8.477 1.00 30.22 O ATOM 1008 CB ASN A 72 47.415 -1.425 11.612 1.00 32.33 C ATOM 1009 CG ASN A 72 48.357 -0.344 11.120 1.00 53.34 C ATOM 1010 OD1 ASN A 72 49.537 -0.326 11.470 1.00 13.32 O ATOM 1011 ND2 ASN A 72 47.838 0.565 10.302 1.00 12.22 N ATOM 0 H ASN A 72 49.409 -2.452 9.969 1.00 43.04 H new ATOM 0 HA ASN A 72 46.964 -3.499 11.273 1.00 24.30 H new ATOM 0 HB2 ASN A 72 46.395 -1.041 11.613 1.00 32.33 H new ATOM 0 HB3 ASN A 72 47.662 -1.676 12.644 1.00 32.33 H new ATOM 0 HD21 ASN A 72 48.423 1.317 9.938 1.00 12.22 H new ATOM 0 HD22 ASN A 72 46.854 0.511 10.038 1.00 12.22 H new ATOM 1018 N VAL A 73 45.508 -2.829 9.348 1.00 34.02 N ATOM 1019 CA VAL A 73 44.725 -2.653 8.131 1.00 72.12 C ATOM 1020 C VAL A 73 43.341 -2.095 8.443 1.00 32.21 C ATOM 1021 O VAL A 73 42.698 -2.504 9.410 1.00 32.21 O ATOM 1022 CB VAL A 73 44.570 -3.981 7.366 1.00 23.10 C ATOM 1023 CG1 VAL A 73 45.933 -4.583 7.060 1.00 43.35 C ATOM 1024 CG2 VAL A 73 43.714 -4.956 8.160 1.00 23.31 C ATOM 0 H VAL A 73 44.998 -3.260 10.119 1.00 34.02 H new ATOM 0 HA VAL A 73 45.267 -1.943 7.506 1.00 72.12 H new ATOM 0 HB VAL A 73 44.068 -3.779 6.420 1.00 23.10 H new ATOM 0 HG11 VAL A 73 45.804 -5.521 6.519 1.00 43.35 H new ATOM 0 HG12 VAL A 73 46.509 -3.888 6.449 1.00 43.35 H new ATOM 0 HG13 VAL A 73 46.465 -4.772 7.992 1.00 43.35 H new ATOM 0 HG21 VAL A 73 43.615 -5.889 7.605 1.00 23.31 H new ATOM 0 HG22 VAL A 73 44.186 -5.155 9.122 1.00 23.31 H new ATOM 0 HG23 VAL A 73 42.727 -4.524 8.323 1.00 23.31 H new ATOM 1034 N LYS A 74 42.887 -1.158 7.618 1.00 74.33 N ATOM 1035 CA LYS A 74 41.577 -0.544 7.803 1.00 4.22 C ATOM 1036 C LYS A 74 40.546 -1.169 6.870 1.00 73.22 C ATOM 1037 O LYS A 74 40.716 -1.170 5.651 1.00 43.44 O ATOM 1038 CB LYS A 74 41.659 0.964 7.554 1.00 71.14 C ATOM 1039 CG LYS A 74 41.111 1.800 8.697 1.00 53.11 C ATOM 1040 CD LYS A 74 39.591 1.818 8.696 1.00 23.12 C ATOM 1041 CE LYS A 74 39.041 2.494 9.943 1.00 43.23 C ATOM 1042 NZ LYS A 74 37.671 3.034 9.722 1.00 41.01 N ATOM 0 H LYS A 74 43.407 -0.807 6.814 1.00 74.33 H new ATOM 0 HA LYS A 74 41.263 -0.720 8.832 1.00 4.22 H new ATOM 0 HB2 LYS A 74 42.699 1.239 7.380 1.00 71.14 H new ATOM 0 HB3 LYS A 74 41.110 1.204 6.644 1.00 71.14 H new ATOM 0 HG2 LYS A 74 41.470 1.401 9.646 1.00 53.11 H new ATOM 0 HG3 LYS A 74 41.488 2.820 8.617 1.00 53.11 H new ATOM 0 HD2 LYS A 74 39.233 2.341 7.809 1.00 23.12 H new ATOM 0 HD3 LYS A 74 39.214 0.797 8.638 1.00 23.12 H new ATOM 0 HE2 LYS A 74 39.021 1.779 10.765 1.00 43.23 H new ATOM 0 HE3 LYS A 74 39.707 3.304 10.241 1.00 43.23 H new ATOM 0 HZ1 LYS A 74 37.632 4.024 10.040 1.00 41.01 H new ATOM 0 HZ2 LYS A 74 37.438 2.986 8.710 1.00 41.01 H new ATOM 0 HZ3 LYS A 74 36.984 2.470 10.262 1.00 41.01 H new ATOM 1056 N VAL A 75 39.474 -1.700 7.450 1.00 21.02 N ATOM 1057 CA VAL A 75 38.413 -2.326 6.670 1.00 24.21 C ATOM 1058 C VAL A 75 37.149 -1.474 6.678 1.00 44.15 C ATOM 1059 O VAL A 75 36.771 -0.913 7.706 1.00 0.53 O ATOM 1060 CB VAL A 75 38.076 -3.730 7.207 1.00 50.04 C ATOM 1061 CG1 VAL A 75 37.023 -4.396 6.335 1.00 73.24 C ATOM 1062 CG2 VAL A 75 39.332 -4.585 7.288 1.00 54.15 C ATOM 0 H VAL A 75 39.318 -1.709 8.458 1.00 21.02 H new ATOM 0 HA VAL A 75 38.781 -2.414 5.648 1.00 24.21 H new ATOM 0 HB VAL A 75 37.669 -3.628 8.213 1.00 50.04 H new ATOM 0 HG11 VAL A 75 36.798 -5.387 6.729 1.00 73.24 H new ATOM 0 HG12 VAL A 75 36.116 -3.791 6.333 1.00 73.24 H new ATOM 0 HG13 VAL A 75 37.399 -4.488 5.316 1.00 73.24 H new ATOM 0 HG21 VAL A 75 39.075 -5.573 7.669 1.00 54.15 H new ATOM 0 HG22 VAL A 75 39.771 -4.682 6.295 1.00 54.15 H new ATOM 0 HG23 VAL A 75 40.051 -4.113 7.958 1.00 54.15 H new ATOM 1072 N THR A 76 36.498 -1.381 5.522 1.00 11.03 N ATOM 1073 CA THR A 76 35.276 -0.597 5.395 1.00 42.43 C ATOM 1074 C THR A 76 34.280 -1.278 4.463 1.00 3.22 C ATOM 1075 O THR A 76 34.669 -1.954 3.511 1.00 12.12 O ATOM 1076 CB THR A 76 35.571 0.820 4.866 1.00 74.22 C ATOM 1077 OG1 THR A 76 36.978 1.077 4.912 1.00 4.33 O ATOM 1078 CG2 THR A 76 34.831 1.868 5.684 1.00 71.51 C ATOM 0 H THR A 76 36.797 -1.839 4.661 1.00 11.03 H new ATOM 0 HA THR A 76 34.843 -0.522 6.392 1.00 42.43 H new ATOM 0 HB THR A 76 35.226 0.878 3.834 1.00 74.22 H new ATOM 0 HG1 THR A 76 37.157 1.979 4.573 1.00 4.33 H new ATOM 0 HG21 THR A 76 35.055 2.860 5.292 1.00 71.51 H new ATOM 0 HG22 THR A 76 33.758 1.687 5.622 1.00 71.51 H new ATOM 0 HG23 THR A 76 35.150 1.809 6.725 1.00 71.51 H new ATOM 1086 N ALA A 77 32.994 -1.095 4.744 1.00 42.35 N ATOM 1087 CA ALA A 77 31.942 -1.690 3.928 1.00 4.34 C ATOM 1088 C ALA A 77 30.813 -0.696 3.679 1.00 33.33 C ATOM 1089 O ALA A 77 30.705 0.321 4.364 1.00 24.12 O ATOM 1090 CB ALA A 77 31.405 -2.947 4.596 1.00 13.21 C ATOM 0 H ALA A 77 32.656 -0.540 5.530 1.00 42.35 H new ATOM 0 HA ALA A 77 32.372 -1.960 2.963 1.00 4.34 H new ATOM 0 HB1 ALA A 77 30.620 -3.381 3.977 1.00 13.21 H new ATOM 0 HB2 ALA A 77 32.213 -3.668 4.717 1.00 13.21 H new ATOM 0 HB3 ALA A 77 30.996 -2.693 5.574 1.00 13.21 H new ATOM 1096 N SER A 78 29.973 -0.997 2.694 1.00 35.42 N ATOM 1097 CA SER A 78 28.853 -0.128 2.352 1.00 41.03 C ATOM 1098 C SER A 78 27.661 -0.945 1.861 1.00 4.51 C ATOM 1099 O SER A 78 27.821 -1.903 1.104 1.00 1.43 O ATOM 1100 CB SER A 78 29.272 0.879 1.279 1.00 12.41 C ATOM 1101 OG SER A 78 29.664 2.110 1.861 1.00 2.40 O ATOM 0 H SER A 78 30.047 -1.836 2.119 1.00 35.42 H new ATOM 0 HA SER A 78 28.555 0.411 3.251 1.00 41.03 H new ATOM 0 HB2 SER A 78 30.096 0.471 0.694 1.00 12.41 H new ATOM 0 HB3 SER A 78 28.444 1.046 0.590 1.00 12.41 H new ATOM 0 HG SER A 78 30.054 1.945 2.745 1.00 2.40 H new ATOM 1107 N ILE A 79 26.467 -0.558 2.298 1.00 65.11 N ATOM 1108 CA ILE A 79 25.248 -1.253 1.903 1.00 45.20 C ATOM 1109 C ILE A 79 24.134 -0.265 1.576 1.00 50.22 C ATOM 1110 O ILE A 79 23.607 0.408 2.461 1.00 74.41 O ATOM 1111 CB ILE A 79 24.763 -2.210 3.008 1.00 51.14 C ATOM 1112 CG1 ILE A 79 23.407 -2.811 2.632 1.00 14.43 C ATOM 1113 CG2 ILE A 79 24.675 -1.480 4.340 1.00 73.04 C ATOM 1114 CD1 ILE A 79 23.418 -3.551 1.313 1.00 12.31 C ATOM 0 H ILE A 79 26.318 0.232 2.925 1.00 65.11 H new ATOM 0 HA ILE A 79 25.489 -1.833 1.012 1.00 45.20 H new ATOM 0 HB ILE A 79 25.484 -3.022 3.108 1.00 51.14 H new ATOM 0 HG12 ILE A 79 23.091 -3.495 3.420 1.00 14.43 H new ATOM 0 HG13 ILE A 79 22.666 -2.013 2.585 1.00 14.43 H new ATOM 0 HG21 ILE A 79 24.331 -2.170 5.111 1.00 73.04 H new ATOM 0 HG22 ILE A 79 25.659 -1.096 4.610 1.00 73.04 H new ATOM 0 HG23 ILE A 79 23.972 -0.651 4.255 1.00 73.04 H new ATOM 0 HD11 ILE A 79 22.424 -3.950 1.111 1.00 12.31 H new ATOM 0 HD12 ILE A 79 23.703 -2.866 0.514 1.00 12.31 H new ATOM 0 HD13 ILE A 79 24.135 -4.371 1.362 1.00 12.31 H new ATOM 1126 N GLY A 80 23.779 -0.184 0.297 1.00 13.41 N ATOM 1127 CA GLY A 80 22.727 0.723 -0.125 1.00 4.54 C ATOM 1128 C GLY A 80 23.009 2.160 0.268 1.00 2.20 C ATOM 1129 O GLY A 80 23.768 2.858 -0.404 1.00 74.53 O ATOM 0 H GLY A 80 24.201 -0.730 -0.454 1.00 13.41 H new ATOM 0 HA2 GLY A 80 22.611 0.661 -1.207 1.00 4.54 H new ATOM 0 HA3 GLY A 80 21.781 0.408 0.316 1.00 4.54 H new ATOM 1133 N GLY A 81 22.395 2.605 1.360 1.00 1.13 N ATOM 1134 CA GLY A 81 22.595 3.966 1.821 1.00 3.54 C ATOM 1135 C GLY A 81 23.530 4.044 3.012 1.00 21.32 C ATOM 1136 O GLY A 81 24.574 4.693 2.949 1.00 44.14 O ATOM 0 H GLY A 81 21.763 2.047 1.934 1.00 1.13 H new ATOM 0 HA2 GLY A 81 22.999 4.567 1.006 1.00 3.54 H new ATOM 0 HA3 GLY A 81 21.632 4.400 2.090 1.00 3.54 H new ATOM 1140 N ILE A 82 23.154 3.382 4.101 1.00 24.51 N ATOM 1141 CA ILE A 82 23.967 3.379 5.311 1.00 32.13 C ATOM 1142 C ILE A 82 25.355 2.810 5.040 1.00 44.21 C ATOM 1143 O ILE A 82 25.548 2.041 4.099 1.00 42.12 O ATOM 1144 CB ILE A 82 23.301 2.563 6.435 1.00 73.32 C ATOM 1145 CG1 ILE A 82 23.364 1.068 6.115 1.00 24.34 C ATOM 1146 CG2 ILE A 82 21.859 3.007 6.629 1.00 12.40 C ATOM 1147 CD1 ILE A 82 24.361 0.310 6.965 1.00 14.20 C ATOM 0 H ILE A 82 22.292 2.841 4.170 1.00 24.51 H new ATOM 0 HA ILE A 82 24.059 4.417 5.631 1.00 32.13 H new ATOM 0 HB ILE A 82 23.844 2.741 7.363 1.00 73.32 H new ATOM 0 HG12 ILE A 82 22.374 0.633 6.255 1.00 24.34 H new ATOM 0 HG13 ILE A 82 23.623 0.940 5.064 1.00 24.34 H new ATOM 0 HG21 ILE A 82 21.402 2.421 7.427 1.00 12.40 H new ATOM 0 HG22 ILE A 82 21.836 4.063 6.896 1.00 12.40 H new ATOM 0 HG23 ILE A 82 21.304 2.855 5.703 1.00 12.40 H new ATOM 0 HD11 ILE A 82 24.352 -0.743 6.684 1.00 14.20 H new ATOM 0 HD12 ILE A 82 25.359 0.719 6.808 1.00 14.20 H new ATOM 0 HD13 ILE A 82 24.091 0.407 8.016 1.00 14.20 H new ATOM 1159 N GLN A 83 26.319 3.193 5.872 1.00 34.10 N ATOM 1160 CA GLN A 83 27.690 2.720 5.722 1.00 34.20 C ATOM 1161 C GLN A 83 28.287 2.345 7.074 1.00 2.03 C ATOM 1162 O GLN A 83 27.783 2.750 8.121 1.00 74.42 O ATOM 1163 CB GLN A 83 28.550 3.791 5.050 1.00 65.20 C ATOM 1164 CG GLN A 83 28.705 5.056 5.879 1.00 61.40 C ATOM 1165 CD GLN A 83 29.680 6.040 5.265 1.00 44.43 C ATOM 1166 OE1 GLN A 83 30.138 5.857 4.137 1.00 62.45 O ATOM 1167 NE2 GLN A 83 30.004 7.094 6.006 1.00 72.15 N ATOM 0 H GLN A 83 26.176 3.829 6.656 1.00 34.10 H new ATOM 0 HA GLN A 83 27.674 1.830 5.093 1.00 34.20 H new ATOM 0 HB2 GLN A 83 29.537 3.377 4.846 1.00 65.20 H new ATOM 0 HB3 GLN A 83 28.108 4.049 4.088 1.00 65.20 H new ATOM 0 HG2 GLN A 83 27.732 5.535 5.989 1.00 61.40 H new ATOM 0 HG3 GLN A 83 29.045 4.790 6.880 1.00 61.40 H new ATOM 0 HE21 GLN A 83 29.601 7.207 6.936 1.00 72.15 H new ATOM 0 HE22 GLN A 83 30.656 7.790 5.645 1.00 72.15 H new ATOM 1176 N GLY A 84 29.366 1.568 7.044 1.00 1.44 N ATOM 1177 CA GLY A 84 30.014 1.152 8.274 1.00 23.41 C ATOM 1178 C GLY A 84 31.523 1.085 8.141 1.00 53.23 C ATOM 1179 O GLY A 84 32.054 1.060 7.031 1.00 70.24 O ATOM 0 H GLY A 84 29.802 1.220 6.190 1.00 1.44 H new ATOM 0 HA2 GLY A 84 29.753 1.848 9.072 1.00 23.41 H new ATOM 0 HA3 GLY A 84 29.635 0.173 8.568 1.00 23.41 H new ATOM 1183 N SER A 85 32.215 1.059 9.275 1.00 20.21 N ATOM 1184 CA SER A 85 33.672 1.001 9.280 1.00 21.22 C ATOM 1185 C SER A 85 34.178 0.168 10.454 1.00 5.10 C ATOM 1186 O SER A 85 33.545 0.109 11.509 1.00 41.24 O ATOM 1187 CB SER A 85 34.259 2.412 9.350 1.00 25.31 C ATOM 1188 OG SER A 85 34.544 2.780 10.689 1.00 60.04 O ATOM 0 H SER A 85 31.790 1.077 10.202 1.00 20.21 H new ATOM 0 HA SER A 85 33.996 0.526 8.354 1.00 21.22 H new ATOM 0 HB2 SER A 85 35.171 2.460 8.754 1.00 25.31 H new ATOM 0 HB3 SER A 85 33.557 3.123 8.916 1.00 25.31 H new ATOM 0 HG SER A 85 34.920 3.685 10.707 1.00 60.04 H new ATOM 1194 N THR A 86 35.326 -0.476 10.264 1.00 41.55 N ATOM 1195 CA THR A 86 35.918 -1.306 11.304 1.00 24.22 C ATOM 1196 C THR A 86 37.441 -1.233 11.266 1.00 14.24 C ATOM 1197 O THR A 86 38.033 -0.974 10.219 1.00 62.23 O ATOM 1198 CB THR A 86 35.483 -2.777 11.165 1.00 61.13 C ATOM 1199 OG1 THR A 86 36.288 -3.608 12.008 1.00 21.42 O ATOM 1200 CG2 THR A 86 35.604 -3.243 9.721 1.00 13.44 C ATOM 0 H THR A 86 35.864 -0.438 9.398 1.00 41.55 H new ATOM 0 HA THR A 86 35.562 -0.918 12.258 1.00 24.22 H new ATOM 0 HB THR A 86 34.439 -2.854 11.469 1.00 61.13 H new ATOM 0 HG1 THR A 86 36.118 -3.384 12.947 1.00 21.42 H new ATOM 0 HG21 THR A 86 35.291 -4.285 9.647 1.00 13.44 H new ATOM 0 HG22 THR A 86 34.967 -2.627 9.085 1.00 13.44 H new ATOM 0 HG23 THR A 86 36.640 -3.151 9.395 1.00 13.44 H new ATOM 1208 N ASP A 87 38.068 -1.462 12.415 1.00 71.33 N ATOM 1209 CA ASP A 87 39.522 -1.424 12.512 1.00 4.13 C ATOM 1210 C ASP A 87 40.088 -2.821 12.745 1.00 65.33 C ATOM 1211 O ASP A 87 39.631 -3.549 13.626 1.00 21.03 O ATOM 1212 CB ASP A 87 39.954 -0.490 13.644 1.00 25.31 C ATOM 1213 CG ASP A 87 41.451 -0.250 13.657 1.00 43.02 C ATOM 1214 OD1 ASP A 87 41.908 0.681 12.961 1.00 22.13 O ATOM 1215 OD2 ASP A 87 42.166 -0.993 14.362 1.00 70.34 O ATOM 0 H ASP A 87 37.592 -1.676 13.291 1.00 71.33 H new ATOM 0 HA ASP A 87 39.915 -1.045 11.568 1.00 4.13 H new ATOM 0 HB2 ASP A 87 39.437 0.464 13.541 1.00 25.31 H new ATOM 0 HB3 ASP A 87 39.649 -0.917 14.600 1.00 25.31 H new ATOM 1220 N PHE A 88 41.086 -3.190 11.948 1.00 74.45 N ATOM 1221 CA PHE A 88 41.713 -4.502 12.065 1.00 50.41 C ATOM 1222 C PHE A 88 43.224 -4.369 12.228 1.00 43.34 C ATOM 1223 O PHE A 88 43.921 -3.915 11.320 1.00 51.44 O ATOM 1224 CB PHE A 88 41.394 -5.355 10.836 1.00 41.15 C ATOM 1225 CG PHE A 88 40.336 -6.392 11.084 1.00 41.35 C ATOM 1226 CD1 PHE A 88 39.140 -6.048 11.692 1.00 54.13 C ATOM 1227 CD2 PHE A 88 40.538 -7.710 10.709 1.00 62.31 C ATOM 1228 CE1 PHE A 88 38.164 -6.999 11.921 1.00 34.51 C ATOM 1229 CE2 PHE A 88 39.566 -8.666 10.935 1.00 11.02 C ATOM 1230 CZ PHE A 88 38.378 -8.310 11.543 1.00 33.42 C ATOM 0 H PHE A 88 41.478 -2.599 11.215 1.00 74.45 H new ATOM 0 HA PHE A 88 41.311 -4.992 12.952 1.00 50.41 H new ATOM 0 HB2 PHE A 88 41.069 -4.703 10.025 1.00 41.15 H new ATOM 0 HB3 PHE A 88 42.305 -5.850 10.501 1.00 41.15 H new ATOM 0 HD1 PHE A 88 38.968 -5.024 11.991 1.00 54.13 H new ATOM 0 HD2 PHE A 88 41.466 -7.994 10.235 1.00 62.31 H new ATOM 0 HE1 PHE A 88 37.235 -6.718 12.395 1.00 34.51 H new ATOM 0 HE2 PHE A 88 39.735 -9.690 10.637 1.00 11.02 H new ATOM 0 HZ PHE A 88 37.618 -9.056 11.723 1.00 33.42 H new ATOM 1240 N LYS A 89 43.725 -4.768 13.392 1.00 43.32 N ATOM 1241 CA LYS A 89 45.154 -4.695 13.676 1.00 55.10 C ATOM 1242 C LYS A 89 45.718 -6.078 13.983 1.00 64.20 C ATOM 1243 O LYS A 89 45.296 -6.735 14.934 1.00 34.24 O ATOM 1244 CB LYS A 89 45.413 -3.753 14.854 1.00 33.53 C ATOM 1245 CG LYS A 89 45.481 -2.289 14.459 1.00 44.42 C ATOM 1246 CD LYS A 89 46.553 -1.549 15.242 1.00 31.23 C ATOM 1247 CE LYS A 89 46.016 -0.256 15.836 1.00 5.31 C ATOM 1248 NZ LYS A 89 45.446 -0.464 17.196 1.00 74.34 N ATOM 0 H LYS A 89 43.163 -5.146 14.155 1.00 43.32 H new ATOM 0 HA LYS A 89 45.656 -4.306 12.791 1.00 55.10 H new ATOM 0 HB2 LYS A 89 44.623 -3.885 15.594 1.00 33.53 H new ATOM 0 HB3 LYS A 89 46.350 -4.035 15.334 1.00 33.53 H new ATOM 0 HG2 LYS A 89 45.688 -2.208 13.392 1.00 44.42 H new ATOM 0 HG3 LYS A 89 44.513 -1.819 14.632 1.00 44.42 H new ATOM 0 HD2 LYS A 89 46.929 -2.189 16.040 1.00 31.23 H new ATOM 0 HD3 LYS A 89 47.396 -1.328 14.587 1.00 31.23 H new ATOM 0 HE2 LYS A 89 46.818 0.480 15.887 1.00 5.31 H new ATOM 0 HE3 LYS A 89 45.248 0.154 15.179 1.00 5.31 H new ATOM 0 HZ1 LYS A 89 45.091 0.441 17.566 1.00 74.34 H new ATOM 0 HZ2 LYS A 89 44.664 -1.148 17.144 1.00 74.34 H new ATOM 0 HZ3 LYS A 89 46.185 -0.831 17.830 1.00 74.34 H new ATOM 1262 N VAL A 90 46.677 -6.514 13.172 1.00 22.32 N ATOM 1263 CA VAL A 90 47.302 -7.818 13.359 1.00 31.40 C ATOM 1264 C VAL A 90 48.753 -7.674 13.804 1.00 12.02 C ATOM 1265 O VAL A 90 49.549 -6.993 13.156 1.00 73.40 O ATOM 1266 CB VAL A 90 47.254 -8.654 12.066 1.00 31.11 C ATOM 1267 CG1 VAL A 90 47.951 -7.921 10.930 1.00 55.10 C ATOM 1268 CG2 VAL A 90 47.881 -10.022 12.293 1.00 55.44 C ATOM 0 H VAL A 90 47.038 -5.983 12.379 1.00 22.32 H new ATOM 0 HA VAL A 90 46.736 -8.331 14.136 1.00 31.40 H new ATOM 0 HB VAL A 90 46.211 -8.800 11.786 1.00 31.11 H new ATOM 0 HG11 VAL A 90 47.907 -8.527 10.025 1.00 55.10 H new ATOM 0 HG12 VAL A 90 47.454 -6.967 10.753 1.00 55.10 H new ATOM 0 HG13 VAL A 90 48.993 -7.743 11.197 1.00 55.10 H new ATOM 0 HG21 VAL A 90 47.839 -10.599 11.369 1.00 55.44 H new ATOM 0 HG22 VAL A 90 48.921 -9.900 12.597 1.00 55.44 H new ATOM 0 HG23 VAL A 90 47.333 -10.548 13.075 1.00 55.44 H new ATOM 1278 N THR A 91 49.092 -8.320 14.916 1.00 42.33 N ATOM 1279 CA THR A 91 50.447 -8.263 15.449 1.00 64.21 C ATOM 1280 C THR A 91 51.051 -9.658 15.565 1.00 21.13 C ATOM 1281 O THR A 91 50.340 -10.633 15.809 1.00 4.35 O ATOM 1282 CB THR A 91 50.479 -7.585 16.832 1.00 62.42 C ATOM 1283 OG1 THR A 91 49.760 -8.378 17.783 1.00 74.14 O ATOM 1284 CG2 THR A 91 49.874 -6.191 16.765 1.00 24.21 C ATOM 0 H THR A 91 48.446 -8.888 15.464 1.00 42.33 H new ATOM 0 HA THR A 91 51.037 -7.671 14.749 1.00 64.21 H new ATOM 0 HB THR A 91 51.519 -7.497 17.146 1.00 62.42 H new ATOM 0 HG1 THR A 91 49.786 -7.941 18.660 1.00 74.14 H new ATOM 0 HG21 THR A 91 49.908 -5.732 17.753 1.00 24.21 H new ATOM 0 HG22 THR A 91 50.442 -5.581 16.062 1.00 24.21 H new ATOM 0 HG23 THR A 91 48.838 -6.259 16.432 1.00 24.21 H new ATOM 1292 N GLN A 92 52.366 -9.746 15.390 1.00 54.53 N ATOM 1293 CA GLN A 92 53.064 -11.023 15.475 1.00 10.44 C ATOM 1294 C GLN A 92 53.083 -11.537 16.911 1.00 62.30 C ATOM 1295 O GLN A 92 54.006 -11.247 17.673 1.00 32.34 O ATOM 1296 CB GLN A 92 54.495 -10.882 14.952 1.00 15.25 C ATOM 1297 CG GLN A 92 54.589 -10.863 13.435 1.00 34.33 C ATOM 1298 CD GLN A 92 55.759 -10.040 12.933 1.00 34.42 C ATOM 1299 OE1 GLN A 92 56.800 -10.583 12.562 1.00 52.35 O ATOM 1300 NE2 GLN A 92 55.593 -8.723 12.919 1.00 4.12 N ATOM 0 H GLN A 92 52.969 -8.948 15.189 1.00 54.53 H new ATOM 0 HA GLN A 92 52.529 -11.744 14.857 1.00 10.44 H new ATOM 0 HB2 GLN A 92 54.928 -9.963 15.346 1.00 15.25 H new ATOM 0 HB3 GLN A 92 55.096 -11.707 15.335 1.00 15.25 H new ATOM 0 HG2 GLN A 92 54.684 -11.885 13.068 1.00 34.33 H new ATOM 0 HG3 GLN A 92 53.664 -10.461 13.022 1.00 34.33 H new ATOM 0 HE21 GLN A 92 54.713 -8.317 13.236 1.00 4.12 H new ATOM 0 HE22 GLN A 92 56.346 -8.118 12.591 1.00 4.12 H new