USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 831 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 39 GLN : amide:sc= -0.77! C(o=-3!,f=-8.6!) USER MOD Set 1.2: A 105 GLN : amide:sc= -2.2! X(o=-3!,f=-3.1) USER MOD Set 2.1: A 33 SER OG : rot -84:sc= 1.19 USER MOD Set 2.2: A 34 GLN :FLIP amide:sc= -4.64! C(o=-15!,f=-3.4!) USER MOD Set 3.1: A 19 LYS NZ :NH3+ 159:sc= -2.56! (180deg=-3.34!) USER MOD Set 3.2: A 57 GLN : amide:sc= -1.29 K(o=-3.9,f=-4.7) USER MOD Set 4.1: A 6 ASN : amide:sc=-0.00763 K(o=0.036,f=-2.7!) USER MOD Set 4.2: A 59 TYR OH : rot 180:sc= 0.0437 USER MOD Single : A 7 SER OG : rot 96:sc= 0.938 USER MOD Single : A 8 LYS NZ :NH3+ -160:sc= -0.0469 (180deg=-0.745) USER MOD Single : A 10 GLN : amide:sc= -1.63! C(o=-1.6!,f=-3.5!) USER MOD Single : A 13 LYS NZ :NH3+ 139:sc= 0.77 (180deg=-0.598!) USER MOD Single : A 21 THR OG1 : rot -17:sc= -0.07 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 160:sc= -2.1! USER MOD Single : A 29 GLN :FLIP amide:sc= -2.01! C(o=-3.2!,f=-2!) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= -0.919 (180deg=-1.33) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -40:sc= 0.151 USER MOD Single : A 51 ASN : amide:sc= -3.23! C(o=-3.2!,f=-8.3!) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -3.09 F(o=-3.9!,f=-3.1) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00839 USER MOD Single : A 54 ASN : amide:sc= 0.343 K(o=0.34,f=-2.6!) USER MOD Single : A 61 GLN : amide:sc= -4.2! C(o=-4.2!,f=-6.2!) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.0922 F(o=-1.9!,f=-0.092) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.438! USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0791 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -2.72! C(o=-2.7!,f=-3.1!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 103:sc= 1.18 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 165:sc=-0.00755 (180deg=-0.242) USER MOD Single : A 100 GLN : amide:sc= -0.645 K(o=-0.65,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 17.569 43.049 -0.070 1.00 0.00 N ATOM 31 CA GLU A 3 18.843 42.699 -0.760 1.00 0.00 C ATOM 32 C GLU A 3 19.825 42.112 0.260 1.00 0.00 C ATOM 33 O GLU A 3 20.784 41.453 -0.091 1.00 0.00 O ATOM 34 CB GLU A 3 19.450 43.953 -1.394 1.00 0.00 C ATOM 35 CG GLU A 3 19.922 44.911 -0.297 1.00 0.00 C ATOM 36 CD GLU A 3 20.221 46.282 -0.909 1.00 0.00 C ATOM 37 OE1 GLU A 3 19.286 47.044 -1.090 1.00 0.00 O ATOM 38 OE2 GLU A 3 21.380 46.544 -1.186 1.00 0.00 O ATOM 0 HA GLU A 3 18.643 41.965 -1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 3 20.288 43.679 -2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 3 18.712 44.445 -2.027 1.00 0.00 H new ATOM 0 HG2 GLU A 3 19.156 45.004 0.473 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.815 44.515 0.187 1.00 0.00 H new ATOM 45 N PHE A 4 19.590 42.357 1.521 1.00 11.75 N ATOM 46 CA PHE A 4 20.498 41.833 2.580 1.00 10.29 C ATOM 47 C PHE A 4 20.519 40.304 2.563 1.00 10.97 C ATOM 48 O PHE A 4 21.498 39.691 2.186 1.00 7.53 O ATOM 49 CB PHE A 4 19.996 42.316 3.948 1.00 11.72 C ATOM 50 CG PHE A 4 20.848 43.462 4.450 1.00 16.98 C ATOM 51 CD1 PHE A 4 20.973 44.632 3.691 1.00 17.80 C ATOM 52 CD2 PHE A 4 21.510 43.352 5.681 1.00 12.51 C ATOM 53 CE1 PHE A 4 21.759 45.691 4.163 1.00 18.59 C ATOM 54 CE2 PHE A 4 22.296 44.412 6.151 1.00 19.72 C ATOM 55 CZ PHE A 4 22.420 45.581 5.392 1.00 20.03 C ATOM 0 H PHE A 4 18.800 42.903 1.865 1.00 11.75 H new ATOM 0 HA PHE A 4 21.508 42.198 2.395 1.00 10.29 H new ATOM 0 HB2 PHE A 4 18.957 42.635 3.869 1.00 11.72 H new ATOM 0 HB3 PHE A 4 20.024 41.494 4.663 1.00 11.72 H new ATOM 0 HD1 PHE A 4 20.464 44.718 2.742 1.00 17.80 H new ATOM 0 HD2 PHE A 4 21.414 42.450 6.267 1.00 12.51 H new ATOM 0 HE1 PHE A 4 21.855 46.594 3.578 1.00 18.59 H new ATOM 0 HE2 PHE A 4 22.806 44.327 7.099 1.00 19.72 H new ATOM 0 HZ PHE A 4 23.026 46.398 5.754 1.00 20.03 H new ATOM 65 N VAL A 5 19.457 39.684 2.993 1.00 10.96 N ATOM 66 CA VAL A 5 19.427 38.197 3.033 1.00 12.03 C ATOM 67 C VAL A 5 19.313 37.635 1.615 1.00 12.91 C ATOM 68 O VAL A 5 19.909 36.627 1.292 1.00 10.57 O ATOM 69 CB VAL A 5 18.225 37.741 3.866 1.00 12.04 C ATOM 70 CG1 VAL A 5 18.109 38.622 5.111 1.00 5.33 C ATOM 71 CG2 VAL A 5 16.943 37.864 3.036 1.00 9.23 C ATOM 0 H VAL A 5 18.607 40.144 3.319 1.00 10.96 H new ATOM 0 HA VAL A 5 20.349 37.830 3.484 1.00 12.03 H new ATOM 0 HB VAL A 5 18.364 36.701 4.162 1.00 12.04 H new ATOM 0 HG11 VAL A 5 17.254 38.300 5.706 1.00 5.33 H new ATOM 0 HG12 VAL A 5 19.019 38.534 5.705 1.00 5.33 H new ATOM 0 HG13 VAL A 5 17.971 39.661 4.810 1.00 5.33 H new ATOM 0 HG21 VAL A 5 16.091 37.539 3.633 1.00 9.23 H new ATOM 0 HG22 VAL A 5 16.801 38.903 2.737 1.00 9.23 H new ATOM 0 HG23 VAL A 5 17.024 37.238 2.147 1.00 9.23 H new ATOM 81 N ASN A 6 18.555 38.272 0.767 1.00 13.95 N ATOM 82 CA ASN A 6 18.408 37.763 -0.619 1.00 13.93 C ATOM 83 C ASN A 6 19.789 37.620 -1.260 1.00 14.98 C ATOM 84 O ASN A 6 20.049 36.681 -1.986 1.00 13.88 O ATOM 85 CB ASN A 6 17.563 38.745 -1.424 1.00 19.23 C ATOM 86 CG ASN A 6 16.167 38.836 -0.807 1.00 22.04 C ATOM 87 OD1 ASN A 6 15.822 38.058 0.062 1.00 28.33 O ATOM 88 ND2 ASN A 6 15.344 39.759 -1.219 1.00 26.59 N ATOM 0 H ASN A 6 18.032 39.122 0.976 1.00 13.95 H new ATOM 0 HA ASN A 6 17.919 36.789 -0.605 1.00 13.93 H new ATOM 0 HB2 ASN A 6 18.035 39.728 -1.431 1.00 19.23 H new ATOM 0 HB3 ASN A 6 17.494 38.417 -2.461 1.00 19.23 H new ATOM 0 HD21 ASN A 6 14.411 39.829 -0.813 1.00 26.59 H new ATOM 0 HD22 ASN A 6 15.633 40.412 -1.948 1.00 26.59 H new ATOM 95 N SER A 7 20.681 38.535 -0.997 1.00 0.00 N ATOM 96 CA SER A 7 22.041 38.429 -1.592 1.00 0.00 C ATOM 97 C SER A 7 22.823 37.328 -0.874 1.00 0.00 C ATOM 98 O SER A 7 23.881 36.919 -1.311 1.00 0.00 O ATOM 99 CB SER A 7 22.775 39.761 -1.432 1.00 0.00 C ATOM 100 OG SER A 7 22.187 40.730 -2.289 1.00 0.00 O ATOM 0 H SER A 7 20.527 39.347 -0.399 1.00 0.00 H new ATOM 0 HA SER A 7 21.957 38.187 -2.651 1.00 0.00 H new ATOM 0 HB2 SER A 7 22.722 40.096 -0.396 1.00 0.00 H new ATOM 0 HB3 SER A 7 23.831 39.638 -1.674 1.00 0.00 H new ATOM 0 HG SER A 7 21.534 41.259 -1.785 1.00 0.00 H new ATOM 106 N LYS A 8 22.317 36.854 0.234 1.00 13.50 N ATOM 107 CA LYS A 8 23.037 35.789 0.992 1.00 11.83 C ATOM 108 C LYS A 8 22.466 34.410 0.651 1.00 12.94 C ATOM 109 O LYS A 8 23.203 33.472 0.424 1.00 11.22 O ATOM 110 CB LYS A 8 22.894 36.059 2.490 1.00 13.35 C ATOM 111 CG LYS A 8 23.648 37.346 2.832 1.00 9.72 C ATOM 112 CD LYS A 8 23.479 37.670 4.317 1.00 17.72 C ATOM 113 CE LYS A 8 23.890 39.122 4.572 1.00 15.70 C ATOM 114 NZ LYS A 8 25.099 39.449 3.762 1.00 22.87 N ATOM 0 H LYS A 8 21.436 37.159 0.647 1.00 13.50 H new ATOM 0 HA LYS A 8 24.091 35.801 0.715 1.00 11.83 H new ATOM 0 HB2 LYS A 8 21.842 36.155 2.758 1.00 13.35 H new ATOM 0 HB3 LYS A 8 23.294 35.223 3.064 1.00 13.35 H new ATOM 0 HG2 LYS A 8 24.706 37.232 2.594 1.00 9.72 H new ATOM 0 HG3 LYS A 8 23.272 38.170 2.226 1.00 9.72 H new ATOM 0 HD2 LYS A 8 22.443 37.516 4.618 1.00 17.72 H new ATOM 0 HD3 LYS A 8 24.090 36.997 4.919 1.00 17.72 H new ATOM 0 HE2 LYS A 8 23.072 39.793 4.311 1.00 15.70 H new ATOM 0 HE3 LYS A 8 24.098 39.271 5.631 1.00 15.70 H new ATOM 0 HZ1 LYS A 8 25.574 40.281 4.167 1.00 22.87 H new ATOM 0 HZ2 LYS A 8 25.752 38.639 3.770 1.00 22.87 H new ATOM 0 HZ3 LYS A 8 24.816 39.655 2.783 1.00 22.87 H new ATOM 128 N ILE A 9 21.166 34.264 0.612 1.00 11.05 N ATOM 129 CA ILE A 9 20.595 32.923 0.280 1.00 13.61 C ATOM 130 C ILE A 9 20.665 32.697 -1.227 1.00 12.23 C ATOM 131 O ILE A 9 20.433 33.587 -2.020 1.00 12.72 O ATOM 132 CB ILE A 9 19.138 32.801 0.748 1.00 14.29 C ATOM 133 CG1 ILE A 9 18.327 34.008 0.255 1.00 20.74 C ATOM 134 CG2 ILE A 9 19.105 32.711 2.275 1.00 15.26 C ATOM 135 CD1 ILE A 9 17.204 34.353 1.243 1.00 25.19 C ATOM 0 H ILE A 9 20.485 35.001 0.792 1.00 11.05 H new ATOM 0 HA ILE A 9 21.183 32.167 0.800 1.00 13.61 H new ATOM 0 HB ILE A 9 18.691 31.898 0.332 1.00 14.29 H new ATOM 0 HG12 ILE A 9 18.985 34.868 0.132 1.00 20.74 H new ATOM 0 HG13 ILE A 9 17.901 33.790 -0.724 1.00 20.74 H new ATOM 0 HG21 ILE A 9 18.072 32.624 2.612 1.00 15.26 H new ATOM 0 HG22 ILE A 9 19.668 31.836 2.600 1.00 15.26 H new ATOM 0 HG23 ILE A 9 19.552 33.609 2.702 1.00 15.26 H new ATOM 0 HD11 ILE A 9 16.644 35.211 0.872 1.00 25.19 H new ATOM 0 HD12 ILE A 9 16.534 33.499 1.345 1.00 25.19 H new ATOM 0 HD13 ILE A 9 17.635 34.594 2.215 1.00 25.19 H new ATOM 147 N GLN A 10 20.999 31.504 -1.615 1.00 11.13 N ATOM 148 CA GLN A 10 21.111 31.170 -3.059 1.00 10.86 C ATOM 149 C GLN A 10 20.761 29.683 -3.237 1.00 10.00 C ATOM 150 O GLN A 10 21.212 28.867 -2.458 1.00 10.42 O ATOM 151 CB GLN A 10 22.561 31.423 -3.495 1.00 14.27 C ATOM 152 CG GLN A 10 22.711 31.229 -5.005 1.00 22.05 C ATOM 153 CD GLN A 10 22.099 32.424 -5.741 1.00 30.84 C ATOM 154 OE1 GLN A 10 21.888 33.469 -5.158 1.00 32.99 O ATOM 155 NE2 GLN A 10 21.808 32.315 -7.009 1.00 34.61 N ATOM 0 H GLN A 10 21.203 30.731 -0.982 1.00 11.13 H new ATOM 0 HA GLN A 10 20.435 31.778 -3.661 1.00 10.86 H new ATOM 0 HB2 GLN A 10 22.857 32.436 -3.222 1.00 14.27 H new ATOM 0 HB3 GLN A 10 23.229 30.742 -2.967 1.00 14.27 H new ATOM 0 HG2 GLN A 10 23.765 31.129 -5.266 1.00 22.05 H new ATOM 0 HG3 GLN A 10 22.218 30.307 -5.314 1.00 22.05 H new ATOM 0 HE21 GLN A 10 21.985 31.438 -7.499 1.00 34.61 H new ATOM 0 HE22 GLN A 10 21.404 33.107 -7.509 1.00 34.61 H new ATOM 164 N PRO A 11 19.975 29.347 -4.240 1.00 6.53 N ATOM 165 CA PRO A 11 19.604 27.941 -4.467 1.00 7.75 C ATOM 166 C PRO A 11 20.866 27.079 -4.521 1.00 6.33 C ATOM 167 O PRO A 11 21.773 27.332 -5.289 1.00 9.49 O ATOM 168 CB PRO A 11 18.858 27.937 -5.810 1.00 8.32 C ATOM 169 CG PRO A 11 18.656 29.416 -6.229 1.00 7.94 C ATOM 170 CD PRO A 11 19.402 30.299 -5.213 1.00 11.72 C ATOM 0 HA PRO A 11 18.981 27.531 -3.672 1.00 7.75 H new ATOM 0 HB2 PRO A 11 19.430 27.398 -6.566 1.00 8.32 H new ATOM 0 HB3 PRO A 11 17.898 27.430 -5.715 1.00 8.32 H new ATOM 0 HG2 PRO A 11 19.040 29.584 -7.235 1.00 7.94 H new ATOM 0 HG3 PRO A 11 17.595 29.667 -6.247 1.00 7.94 H new ATOM 0 HD2 PRO A 11 20.181 30.888 -5.697 1.00 11.72 H new ATOM 0 HD3 PRO A 11 18.726 31.003 -4.728 1.00 11.72 H new ATOM 178 N GLY A 12 20.931 26.068 -3.700 1.00 5.64 N ATOM 179 CA GLY A 12 22.129 25.188 -3.682 1.00 8.39 C ATOM 180 C GLY A 12 23.164 25.760 -2.712 1.00 7.67 C ATOM 181 O GLY A 12 24.330 25.420 -2.764 1.00 10.24 O ATOM 0 H GLY A 12 20.199 25.813 -3.037 1.00 5.64 H new ATOM 0 HA2 GLY A 12 21.849 24.179 -3.379 1.00 8.39 H new ATOM 0 HA3 GLY A 12 22.554 25.113 -4.683 1.00 8.39 H new ATOM 185 N LYS A 13 22.746 26.623 -1.822 1.00 9.66 N ATOM 186 CA LYS A 13 23.703 27.215 -0.841 1.00 10.29 C ATOM 187 C LYS A 13 23.056 27.249 0.542 1.00 10.20 C ATOM 188 O LYS A 13 21.909 27.620 0.691 1.00 6.89 O ATOM 189 CB LYS A 13 24.066 28.641 -1.272 1.00 9.77 C ATOM 190 CG LYS A 13 25.376 29.063 -0.598 1.00 10.63 C ATOM 191 CD LYS A 13 25.726 30.506 -0.993 1.00 12.04 C ATOM 192 CE LYS A 13 25.095 31.482 0.003 1.00 19.12 C ATOM 193 NZ LYS A 13 25.398 32.881 -0.413 1.00 25.36 N ATOM 0 H LYS A 13 21.782 26.943 -1.733 1.00 9.66 H new ATOM 0 HA LYS A 13 24.608 26.608 -0.805 1.00 10.29 H new ATOM 0 HB2 LYS A 13 24.171 28.689 -2.356 1.00 9.77 H new ATOM 0 HB3 LYS A 13 23.266 29.329 -0.999 1.00 9.77 H new ATOM 0 HG2 LYS A 13 25.279 28.987 0.485 1.00 10.63 H new ATOM 0 HG3 LYS A 13 26.181 28.390 -0.894 1.00 10.63 H new ATOM 0 HD2 LYS A 13 26.808 30.637 -1.009 1.00 12.04 H new ATOM 0 HD3 LYS A 13 25.365 30.715 -2.000 1.00 12.04 H new ATOM 0 HE2 LYS A 13 24.017 31.329 0.045 1.00 19.12 H new ATOM 0 HE3 LYS A 13 25.482 31.297 1.005 1.00 19.12 H new ATOM 0 HZ1 LYS A 13 24.554 33.474 -0.279 1.00 25.36 H new ATOM 0 HZ2 LYS A 13 26.178 33.254 0.165 1.00 25.36 H new ATOM 0 HZ3 LYS A 13 25.673 32.893 -1.416 1.00 25.36 H new ATOM 207 N VAL A 14 23.786 26.866 1.559 1.00 10.89 N ATOM 208 CA VAL A 14 23.219 26.875 2.932 1.00 9.99 C ATOM 209 C VAL A 14 23.714 28.115 3.678 1.00 5.01 C ATOM 210 O VAL A 14 24.888 28.431 3.668 1.00 6.68 O ATOM 211 CB VAL A 14 23.663 25.614 3.676 1.00 7.84 C ATOM 212 CG1 VAL A 14 23.128 25.650 5.111 1.00 9.33 C ATOM 213 CG2 VAL A 14 23.116 24.380 2.952 1.00 5.86 C ATOM 0 H VAL A 14 24.753 26.547 1.492 1.00 10.89 H new ATOM 0 HA VAL A 14 22.131 26.896 2.878 1.00 9.99 H new ATOM 0 HB VAL A 14 24.752 25.568 3.700 1.00 7.84 H new ATOM 0 HG11 VAL A 14 23.445 24.751 5.640 1.00 9.33 H new ATOM 0 HG12 VAL A 14 23.519 26.529 5.623 1.00 9.33 H new ATOM 0 HG13 VAL A 14 22.039 25.695 5.092 1.00 9.33 H new ATOM 0 HG21 VAL A 14 23.431 23.479 3.479 1.00 5.86 H new ATOM 0 HG22 VAL A 14 22.027 24.425 2.928 1.00 5.86 H new ATOM 0 HG23 VAL A 14 23.501 24.356 1.932 1.00 5.86 H new ATOM 223 N VAL A 15 22.827 28.818 4.328 1.00 3.11 N ATOM 224 CA VAL A 15 23.233 30.043 5.080 1.00 10.10 C ATOM 225 C VAL A 15 22.454 30.095 6.395 1.00 9.35 C ATOM 226 O VAL A 15 21.286 29.760 6.452 1.00 11.00 O ATOM 227 CB VAL A 15 22.955 31.289 4.207 1.00 10.15 C ATOM 228 CG1 VAL A 15 21.734 32.060 4.721 1.00 15.82 C ATOM 229 CG2 VAL A 15 24.167 32.223 4.236 1.00 10.96 C ATOM 0 H VAL A 15 21.832 28.596 4.372 1.00 3.11 H new ATOM 0 HA VAL A 15 24.298 30.021 5.311 1.00 10.10 H new ATOM 0 HB VAL A 15 22.761 30.948 3.190 1.00 10.15 H new ATOM 0 HG11 VAL A 15 21.561 32.931 4.089 1.00 15.82 H new ATOM 0 HG12 VAL A 15 20.857 31.413 4.694 1.00 15.82 H new ATOM 0 HG13 VAL A 15 21.914 32.385 5.746 1.00 15.82 H new ATOM 0 HG21 VAL A 15 23.966 33.099 3.619 1.00 10.96 H new ATOM 0 HG22 VAL A 15 24.360 32.538 5.262 1.00 10.96 H new ATOM 0 HG23 VAL A 15 25.040 31.698 3.847 1.00 10.96 H new ATOM 239 N VAL A 16 23.104 30.487 7.461 1.00 8.87 N ATOM 240 CA VAL A 16 22.426 30.534 8.785 1.00 5.41 C ATOM 241 C VAL A 16 22.475 31.948 9.371 1.00 6.62 C ATOM 242 O VAL A 16 23.527 32.538 9.515 1.00 8.94 O ATOM 243 CB VAL A 16 23.146 29.577 9.737 1.00 7.47 C ATOM 244 CG1 VAL A 16 22.400 29.507 11.074 1.00 5.97 C ATOM 245 CG2 VAL A 16 23.201 28.183 9.109 1.00 5.31 C ATOM 0 H VAL A 16 24.082 30.778 7.468 1.00 8.87 H new ATOM 0 HA VAL A 16 21.383 30.244 8.659 1.00 5.41 H new ATOM 0 HB VAL A 16 24.158 29.941 9.913 1.00 7.47 H new ATOM 0 HG11 VAL A 16 22.920 28.823 11.745 1.00 5.97 H new ATOM 0 HG12 VAL A 16 22.364 30.500 11.523 1.00 5.97 H new ATOM 0 HG13 VAL A 16 21.385 29.148 10.906 1.00 5.97 H new ATOM 0 HG21 VAL A 16 23.714 27.499 9.785 1.00 5.31 H new ATOM 0 HG22 VAL A 16 22.187 27.824 8.930 1.00 5.31 H new ATOM 0 HG23 VAL A 16 23.741 28.231 8.164 1.00 5.31 H new ATOM 255 N PHE A 17 21.338 32.477 9.743 1.00 5.51 N ATOM 256 CA PHE A 17 21.299 33.831 10.361 1.00 5.80 C ATOM 257 C PHE A 17 21.337 33.648 11.878 1.00 7.23 C ATOM 258 O PHE A 17 20.491 32.986 12.447 1.00 5.39 O ATOM 259 CB PHE A 17 20.010 34.536 9.942 1.00 5.73 C ATOM 260 CG PHE A 17 20.109 34.906 8.483 1.00 9.73 C ATOM 261 CD1 PHE A 17 19.831 33.952 7.498 1.00 8.16 C ATOM 262 CD2 PHE A 17 20.492 36.200 8.115 1.00 6.14 C ATOM 263 CE1 PHE A 17 19.934 34.292 6.145 1.00 9.93 C ATOM 264 CE2 PHE A 17 20.598 36.541 6.762 1.00 5.88 C ATOM 265 CZ PHE A 17 20.319 35.587 5.777 1.00 5.73 C ATOM 0 H PHE A 17 20.430 32.024 9.643 1.00 5.51 H new ATOM 0 HA PHE A 17 22.145 34.437 10.037 1.00 5.80 H new ATOM 0 HB2 PHE A 17 19.152 33.884 10.108 1.00 5.73 H new ATOM 0 HB3 PHE A 17 19.854 35.429 10.548 1.00 5.73 H new ATOM 0 HD1 PHE A 17 19.537 32.953 7.782 1.00 8.16 H new ATOM 0 HD2 PHE A 17 20.706 36.936 8.876 1.00 6.14 H new ATOM 0 HE1 PHE A 17 19.717 33.556 5.385 1.00 9.93 H new ATOM 0 HE2 PHE A 17 20.895 37.540 6.478 1.00 5.88 H new ATOM 0 HZ PHE A 17 20.401 35.850 4.733 1.00 5.73 H new ATOM 275 N ILE A 18 22.332 34.186 12.538 1.00 8.64 N ATOM 276 CA ILE A 18 22.438 33.985 14.015 1.00 6.83 C ATOM 277 C ILE A 18 22.707 35.288 14.756 1.00 10.62 C ATOM 278 O ILE A 18 22.752 36.363 14.194 1.00 6.74 O ATOM 279 CB ILE A 18 23.605 33.033 14.296 1.00 6.39 C ATOM 280 CG1 ILE A 18 24.903 33.613 13.718 1.00 3.56 C ATOM 281 CG2 ILE A 18 23.328 31.666 13.656 1.00 2.18 C ATOM 282 CD1 ILE A 18 26.089 32.758 14.173 1.00 8.36 C ATOM 0 H ILE A 18 23.071 34.752 12.121 1.00 8.64 H new ATOM 0 HA ILE A 18 21.488 33.581 14.364 1.00 6.83 H new ATOM 0 HB ILE A 18 23.711 32.913 15.374 1.00 6.39 H new ATOM 0 HG12 ILE A 18 24.852 33.634 12.629 1.00 3.56 H new ATOM 0 HG13 ILE A 18 25.034 34.643 14.051 1.00 3.56 H new ATOM 0 HG21 ILE A 18 24.161 30.994 13.859 1.00 2.18 H new ATOM 0 HG22 ILE A 18 22.413 31.247 14.075 1.00 2.18 H new ATOM 0 HG23 ILE A 18 23.213 31.785 12.579 1.00 2.18 H new ATOM 0 HD11 ILE A 18 27.012 33.169 13.763 1.00 8.36 H new ATOM 0 HD12 ILE A 18 26.143 32.760 15.262 1.00 8.36 H new ATOM 0 HD13 ILE A 18 25.958 31.736 13.818 1.00 8.36 H new ATOM 294 N LYS A 19 22.924 35.154 16.032 1.00 12.12 N ATOM 295 CA LYS A 19 23.241 36.309 16.912 1.00 15.62 C ATOM 296 C LYS A 19 24.297 35.796 17.900 1.00 16.36 C ATOM 297 O LYS A 19 23.946 35.174 18.881 1.00 13.35 O ATOM 298 CB LYS A 19 21.989 36.728 17.701 1.00 18.25 C ATOM 299 CG LYS A 19 21.153 37.739 16.909 1.00 25.24 C ATOM 300 CD LYS A 19 20.110 38.365 17.847 1.00 30.64 C ATOM 301 CE LYS A 19 18.911 38.874 17.043 1.00 31.75 C ATOM 302 NZ LYS A 19 19.298 40.106 16.300 1.00 38.73 N ATOM 0 H LYS A 19 22.893 34.258 16.518 1.00 12.12 H new ATOM 0 HA LYS A 19 23.587 37.166 16.335 1.00 15.62 H new ATOM 0 HB2 LYS A 19 21.385 35.849 17.926 1.00 18.25 H new ATOM 0 HB3 LYS A 19 22.285 37.164 18.655 1.00 18.25 H new ATOM 0 HG2 LYS A 19 21.796 38.513 16.489 1.00 25.24 H new ATOM 0 HG3 LYS A 19 20.659 37.246 16.072 1.00 25.24 H new ATOM 0 HD2 LYS A 19 19.780 37.628 18.578 1.00 30.64 H new ATOM 0 HD3 LYS A 19 20.559 39.187 18.404 1.00 30.64 H new ATOM 0 HE2 LYS A 19 18.575 38.107 16.346 1.00 31.75 H new ATOM 0 HE3 LYS A 19 18.076 39.086 17.710 1.00 31.75 H new ATOM 0 HZ1 LYS A 19 18.644 40.252 15.505 1.00 38.73 H new ATOM 0 HZ2 LYS A 19 19.254 40.925 16.939 1.00 38.73 H new ATOM 0 HZ3 LYS A 19 20.267 40.002 15.937 1.00 38.73 H new ATOM 316 N PRO A 20 25.558 36.013 17.603 1.00 17.46 N ATOM 317 CA PRO A 20 26.645 35.507 18.458 1.00 20.12 C ATOM 318 C PRO A 20 26.402 35.877 19.924 1.00 24.12 C ATOM 319 O PRO A 20 27.014 36.777 20.464 1.00 24.58 O ATOM 320 CB PRO A 20 27.917 36.153 17.895 1.00 20.63 C ATOM 321 CG PRO A 20 27.545 36.777 16.525 1.00 18.08 C ATOM 322 CD PRO A 20 26.007 36.783 16.425 1.00 17.14 C ATOM 0 HA PRO A 20 26.718 34.419 18.448 1.00 20.12 H new ATOM 0 HB2 PRO A 20 28.295 36.916 18.576 1.00 20.63 H new ATOM 0 HB3 PRO A 20 28.707 35.411 17.778 1.00 20.63 H new ATOM 0 HG2 PRO A 20 27.939 37.790 16.445 1.00 18.08 H new ATOM 0 HG3 PRO A 20 27.981 36.200 15.709 1.00 18.08 H new ATOM 0 HD2 PRO A 20 25.612 37.799 16.440 1.00 17.14 H new ATOM 0 HD3 PRO A 20 25.668 36.323 15.497 1.00 17.14 H new ATOM 330 N THR A 21 25.503 35.175 20.564 1.00 24.78 N ATOM 331 CA THR A 21 25.191 35.456 21.992 1.00 27.36 C ATOM 332 C THR A 21 24.261 34.365 22.529 1.00 24.99 C ATOM 333 O THR A 21 24.322 33.999 23.685 1.00 26.49 O ATOM 334 CB THR A 21 24.484 36.813 22.100 1.00 28.64 C ATOM 335 OG1 THR A 21 25.313 37.826 21.550 1.00 30.99 O ATOM 336 CG2 THR A 21 24.193 37.136 23.569 1.00 34.82 C ATOM 0 H THR A 21 24.967 34.411 20.151 1.00 24.78 H new ATOM 0 HA THR A 21 26.114 35.474 22.571 1.00 27.36 H new ATOM 0 HB THR A 21 23.544 36.769 21.549 1.00 28.64 H new ATOM 0 HG1 THR A 21 26.232 37.493 21.478 1.00 30.99 H new ATOM 0 HG21 THR A 21 23.691 38.101 23.637 1.00 34.82 H new ATOM 0 HG22 THR A 21 23.551 36.363 23.991 1.00 34.82 H new ATOM 0 HG23 THR A 21 25.129 37.174 24.126 1.00 34.82 H new ATOM 344 N CYS A 22 23.382 33.856 21.704 1.00 21.46 N ATOM 345 CA CYS A 22 22.430 32.807 22.176 1.00 17.23 C ATOM 346 C CYS A 22 22.950 31.399 21.793 1.00 14.71 C ATOM 347 O CYS A 22 23.212 31.153 20.632 1.00 13.71 O ATOM 348 CB CYS A 22 21.072 33.069 21.514 1.00 15.71 C ATOM 349 SG CYS A 22 19.758 32.818 22.731 1.00 9.78 S ATOM 0 H CYS A 22 23.283 34.122 20.724 1.00 21.46 H new ATOM 0 HA CYS A 22 22.334 32.846 23.261 1.00 17.23 H new ATOM 0 HB2 CYS A 22 21.034 34.086 21.125 1.00 15.71 H new ATOM 0 HB3 CYS A 22 20.932 32.398 20.666 1.00 15.71 H new ATOM 0 HG CYS A 22 18.604 33.041 22.176 1.00 9.78 H new ATOM 354 N PRO A 23 23.093 30.514 22.772 1.00 13.86 N ATOM 355 CA PRO A 23 23.587 29.134 22.526 1.00 13.47 C ATOM 356 C PRO A 23 22.744 28.373 21.486 1.00 8.59 C ATOM 357 O PRO A 23 23.205 27.406 20.911 1.00 10.79 O ATOM 358 CB PRO A 23 23.510 28.435 23.889 1.00 11.94 C ATOM 359 CG PRO A 23 23.145 29.502 24.943 1.00 7.24 C ATOM 360 CD PRO A 23 22.799 30.803 24.194 1.00 12.58 C ATOM 0 HA PRO A 23 24.596 29.157 22.115 1.00 13.47 H new ATOM 0 HB2 PRO A 23 22.761 27.643 23.871 1.00 11.94 H new ATOM 0 HB3 PRO A 23 24.463 27.967 24.133 1.00 11.94 H new ATOM 0 HG2 PRO A 23 22.299 29.171 25.545 1.00 7.24 H new ATOM 0 HG3 PRO A 23 23.978 29.665 25.627 1.00 7.24 H new ATOM 0 HD2 PRO A 23 21.752 31.073 24.334 1.00 12.58 H new ATOM 0 HD3 PRO A 23 23.395 31.639 24.559 1.00 12.58 H new ATOM 368 N TYR A 24 21.529 28.781 21.228 1.00 0.00 N ATOM 369 CA TYR A 24 20.711 28.040 20.216 1.00 0.00 C ATOM 370 C TYR A 24 21.341 28.229 18.843 1.00 0.00 C ATOM 371 O TYR A 24 21.545 27.286 18.105 1.00 0.00 O ATOM 372 CB TYR A 24 19.281 28.581 20.188 1.00 0.00 C ATOM 373 CG TYR A 24 18.455 27.918 21.262 1.00 0.00 C ATOM 374 CD1 TYR A 24 18.522 28.374 22.584 1.00 0.00 C ATOM 375 CD2 TYR A 24 17.613 26.850 20.928 1.00 0.00 C ATOM 376 CE1 TYR A 24 17.746 27.761 23.574 1.00 0.00 C ATOM 377 CE2 TYR A 24 16.838 26.235 21.919 1.00 0.00 C ATOM 378 CZ TYR A 24 16.904 26.692 23.243 1.00 0.00 C ATOM 379 OH TYR A 24 16.136 26.091 24.221 1.00 0.00 O ATOM 0 H TYR A 24 21.071 29.581 21.665 1.00 0.00 H new ATOM 0 HA TYR A 24 20.684 26.983 20.481 1.00 0.00 H new ATOM 0 HB2 TYR A 24 19.289 29.660 20.339 1.00 0.00 H new ATOM 0 HB3 TYR A 24 18.834 28.399 19.211 1.00 0.00 H new ATOM 0 HD1 TYR A 24 19.172 29.198 22.839 1.00 0.00 H new ATOM 0 HD2 TYR A 24 17.561 26.501 19.907 1.00 0.00 H new ATOM 0 HE1 TYR A 24 17.796 28.112 24.594 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.190 25.409 21.664 1.00 0.00 H new ATOM 0 HH TYR A 24 15.608 25.367 23.824 1.00 0.00 H new ATOM 389 N SER A 25 21.671 29.435 18.500 1.00 0.00 N ATOM 390 CA SER A 25 22.312 29.663 17.182 1.00 0.00 C ATOM 391 C SER A 25 23.645 28.923 17.180 1.00 0.00 C ATOM 392 O SER A 25 24.062 28.358 16.188 1.00 0.00 O ATOM 393 CB SER A 25 22.553 31.159 16.991 1.00 0.00 C ATOM 394 OG SER A 25 21.878 31.869 18.019 1.00 0.00 O ATOM 0 H SER A 25 21.527 30.269 19.070 1.00 0.00 H new ATOM 0 HA SER A 25 21.676 29.302 16.374 1.00 0.00 H new ATOM 0 HB2 SER A 25 23.621 31.376 17.022 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.191 31.477 16.013 1.00 0.00 H new ATOM 0 HG SER A 25 22.268 32.764 18.109 1.00 0.00 H new ATOM 400 N ARG A 26 24.301 28.904 18.302 1.00 16.21 N ATOM 401 CA ARG A 26 25.595 28.184 18.395 1.00 15.67 C ATOM 402 C ARG A 26 25.344 26.711 18.079 1.00 13.70 C ATOM 403 O ARG A 26 26.110 26.073 17.385 1.00 12.41 O ATOM 404 CB ARG A 26 26.142 28.318 19.819 1.00 22.04 C ATOM 405 CG ARG A 26 27.543 27.705 19.906 1.00 31.64 C ATOM 406 CD ARG A 26 28.508 28.445 18.971 1.00 43.08 C ATOM 407 NE ARG A 26 28.142 29.890 18.908 1.00 52.93 N ATOM 408 CZ ARG A 26 28.984 30.757 18.420 1.00 57.80 C ATOM 409 NH1 ARG A 26 30.143 30.360 17.974 1.00 58.61 N ATOM 410 NH2 ARG A 26 28.666 32.023 18.376 1.00 59.59 N ATOM 0 H ARG A 26 23.995 29.358 19.162 1.00 16.21 H new ATOM 0 HA ARG A 26 26.317 28.600 17.693 1.00 15.67 H new ATOM 0 HB2 ARG A 26 26.178 29.369 20.105 1.00 22.04 H new ATOM 0 HB3 ARG A 26 25.474 27.819 20.522 1.00 22.04 H new ATOM 0 HG2 ARG A 26 27.907 27.758 20.932 1.00 31.64 H new ATOM 0 HG3 ARG A 26 27.503 26.650 19.637 1.00 31.64 H new ATOM 0 HD2 ARG A 26 29.532 28.335 19.329 1.00 43.08 H new ATOM 0 HD3 ARG A 26 28.470 28.007 17.974 1.00 43.08 H new ATOM 0 HE ARG A 26 27.231 30.200 19.247 1.00 52.93 H new ATOM 0 HH11 ARG A 26 30.391 29.371 18.007 1.00 58.61 H new ATOM 0 HH12 ARG A 26 30.802 31.038 17.592 1.00 58.61 H new ATOM 0 HH21 ARG A 26 27.759 32.333 18.724 1.00 59.59 H new ATOM 0 HH22 ARG A 26 29.325 32.701 17.994 1.00 59.59 H new ATOM 424 N ARG A 27 24.261 26.170 18.574 1.00 0.00 N ATOM 425 CA ARG A 27 23.943 24.742 18.291 1.00 0.00 C ATOM 426 C ARG A 27 23.900 24.538 16.777 1.00 0.00 C ATOM 427 O ARG A 27 24.481 23.611 16.248 1.00 0.00 O ATOM 428 CB ARG A 27 22.571 24.390 18.893 1.00 0.00 C ATOM 429 CG ARG A 27 22.739 23.449 20.091 1.00 0.00 C ATOM 430 CD ARG A 27 23.149 24.258 21.326 1.00 0.00 C ATOM 431 NE ARG A 27 23.811 23.360 22.311 1.00 0.00 N ATOM 432 CZ ARG A 27 24.497 23.868 23.297 1.00 0.00 C ATOM 433 NH1 ARG A 27 24.599 25.164 23.420 1.00 0.00 N ATOM 434 NH2 ARG A 27 25.080 23.081 24.158 1.00 0.00 N ATOM 0 H ARG A 27 23.584 26.657 19.162 1.00 0.00 H new ATOM 0 HA ARG A 27 24.704 24.099 18.733 1.00 0.00 H new ATOM 0 HB2 ARG A 27 22.060 25.300 19.206 1.00 0.00 H new ATOM 0 HB3 ARG A 27 21.945 23.917 18.136 1.00 0.00 H new ATOM 0 HG2 ARG A 27 21.806 22.919 20.284 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.494 22.695 19.871 1.00 0.00 H new ATOM 0 HD2 ARG A 27 23.826 25.062 21.039 1.00 0.00 H new ATOM 0 HD3 ARG A 27 22.273 24.725 21.775 1.00 0.00 H new ATOM 0 HE ARG A 27 23.728 22.348 22.215 1.00 0.00 H new ATOM 0 HH11 ARG A 27 24.142 25.778 22.745 1.00 0.00 H new ATOM 0 HH12 ARG A 27 25.135 25.563 24.191 1.00 0.00 H new ATOM 0 HH21 ARG A 27 24.999 22.069 24.060 1.00 0.00 H new ATOM 0 HH22 ARG A 27 25.617 23.478 24.929 1.00 0.00 H new ATOM 448 N ALA A 28 23.213 25.398 16.074 1.00 0.00 N ATOM 449 CA ALA A 28 23.136 25.246 14.597 1.00 0.00 C ATOM 450 C ALA A 28 24.552 25.301 14.018 1.00 0.00 C ATOM 451 O ALA A 28 24.875 24.612 13.073 1.00 0.00 O ATOM 452 CB ALA A 28 22.294 26.378 14.005 1.00 0.00 C ATOM 0 H ALA A 28 22.705 26.195 16.458 1.00 0.00 H new ATOM 0 HA ALA A 28 22.672 24.291 14.349 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.240 26.263 12.922 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.289 26.341 14.425 1.00 0.00 H new ATOM 0 HB3 ALA A 28 22.753 27.337 14.246 1.00 0.00 H new ATOM 458 N GLN A 29 25.398 26.116 14.588 1.00 19.83 N ATOM 459 CA GLN A 29 26.798 26.223 14.087 1.00 20.83 C ATOM 460 C GLN A 29 27.559 24.937 14.413 1.00 20.95 C ATOM 461 O GLN A 29 28.342 24.443 13.626 1.00 22.85 O ATOM 462 CB GLN A 29 27.495 27.397 14.784 1.00 21.33 C ATOM 463 CG GLN A 29 26.929 28.738 14.285 1.00 34.02 C ATOM 464 CD GLN A 29 28.060 29.766 14.187 1.00 40.49 C ATOM 465 OE1 GLN A 29 28.494 30.349 15.273 1.00 42.72 O flip ATOM 466 NE2 GLN A 29 28.557 30.038 13.113 1.00 45.49 N flip ATOM 0 H GLN A 29 25.178 26.715 15.383 1.00 19.83 H new ATOM 0 HA GLN A 29 26.784 26.381 13.009 1.00 20.83 H new ATOM 0 HB2 GLN A 29 27.360 27.318 15.863 1.00 21.33 H new ATOM 0 HB3 GLN A 29 28.567 27.355 14.593 1.00 21.33 H new ATOM 0 HG2 GLN A 29 26.458 28.606 13.311 1.00 34.02 H new ATOM 0 HG3 GLN A 29 26.157 29.095 14.967 1.00 34.02 H new ATOM 0 HE21 GLN A 29 28.219 29.583 12.265 1.00 45.49 H new ATOM 0 HE22 GLN A 29 29.313 30.721 13.059 1.00 45.49 H new ATOM 475 N GLU A 30 27.348 24.413 15.583 1.00 22.87 N ATOM 476 CA GLU A 30 28.065 23.176 16.003 1.00 23.32 C ATOM 477 C GLU A 30 27.588 21.956 15.206 1.00 22.32 C ATOM 478 O GLU A 30 28.371 21.096 14.853 1.00 25.42 O ATOM 479 CB GLU A 30 27.801 22.933 17.489 1.00 24.18 C ATOM 480 CG GLU A 30 28.460 24.041 18.313 1.00 32.27 C ATOM 481 CD GLU A 30 29.978 23.851 18.302 1.00 34.97 C ATOM 482 OE1 GLU A 30 30.413 22.715 18.397 1.00 34.69 O ATOM 483 OE2 GLU A 30 30.678 24.844 18.198 1.00 32.92 O ATOM 0 H GLU A 30 26.703 24.791 16.276 1.00 22.87 H new ATOM 0 HA GLU A 30 29.130 23.313 15.815 1.00 23.32 H new ATOM 0 HB2 GLU A 30 26.728 22.913 17.680 1.00 24.18 H new ATOM 0 HB3 GLU A 30 28.196 21.961 17.785 1.00 24.18 H new ATOM 0 HG2 GLU A 30 28.202 25.017 17.902 1.00 32.27 H new ATOM 0 HG3 GLU A 30 28.087 24.018 19.337 1.00 32.27 H new ATOM 490 N ILE A 31 26.313 21.849 14.946 1.00 0.00 N ATOM 491 CA ILE A 31 25.808 20.653 14.206 1.00 0.00 C ATOM 492 C ILE A 31 26.112 20.767 12.707 1.00 0.00 C ATOM 493 O ILE A 31 26.738 19.898 12.135 1.00 0.00 O ATOM 494 CB ILE A 31 24.299 20.508 14.442 1.00 0.00 C ATOM 495 CG1 ILE A 31 23.795 19.175 13.835 1.00 0.00 C ATOM 496 CG2 ILE A 31 23.553 21.712 13.856 1.00 0.00 C ATOM 497 CD1 ILE A 31 23.326 19.338 12.379 1.00 0.00 C ATOM 0 H ILE A 31 25.603 22.531 15.211 1.00 0.00 H new ATOM 0 HA ILE A 31 26.317 19.765 14.580 1.00 0.00 H new ATOM 0 HB ILE A 31 24.101 20.486 15.514 1.00 0.00 H new ATOM 0 HG12 ILE A 31 24.594 18.434 13.877 1.00 0.00 H new ATOM 0 HG13 ILE A 31 22.973 18.791 14.439 1.00 0.00 H new ATOM 0 HG21 ILE A 31 22.483 21.597 14.030 1.00 0.00 H new ATOM 0 HG22 ILE A 31 23.903 22.626 14.337 1.00 0.00 H new ATOM 0 HG23 ILE A 31 23.742 21.771 12.784 1.00 0.00 H new ATOM 0 HD11 ILE A 31 22.982 18.377 11.998 1.00 0.00 H new ATOM 0 HD12 ILE A 31 22.509 20.058 12.338 1.00 0.00 H new ATOM 0 HD13 ILE A 31 24.155 19.695 11.768 1.00 0.00 H new ATOM 509 N LEU A 32 25.684 21.819 12.059 1.00 16.72 N ATOM 510 CA LEU A 32 25.965 21.952 10.603 1.00 15.05 C ATOM 511 C LEU A 32 27.472 21.880 10.365 1.00 15.55 C ATOM 512 O LEU A 32 27.923 21.491 9.306 1.00 17.28 O ATOM 513 CB LEU A 32 25.416 23.293 10.095 1.00 12.57 C ATOM 514 CG LEU A 32 23.998 23.106 9.523 1.00 8.75 C ATOM 515 CD1 LEU A 32 23.163 24.356 9.796 1.00 10.68 C ATOM 516 CD2 LEU A 32 24.084 22.878 8.008 1.00 12.45 C ATOM 0 H LEU A 32 25.155 22.586 12.474 1.00 16.72 H new ATOM 0 HA LEU A 32 25.480 21.140 10.062 1.00 15.05 H new ATOM 0 HB2 LEU A 32 25.395 24.017 10.909 1.00 12.57 H new ATOM 0 HB3 LEU A 32 26.076 23.696 9.327 1.00 12.57 H new ATOM 0 HG LEU A 32 23.530 22.245 9.999 1.00 8.75 H new ATOM 0 HD11 LEU A 32 22.161 24.220 9.390 1.00 10.68 H new ATOM 0 HD12 LEU A 32 23.099 24.523 10.871 1.00 10.68 H new ATOM 0 HD13 LEU A 32 23.633 25.218 9.322 1.00 10.68 H new ATOM 0 HD21 LEU A 32 23.081 22.746 7.602 1.00 12.45 H new ATOM 0 HD22 LEU A 32 24.555 23.740 7.536 1.00 12.45 H new ATOM 0 HD23 LEU A 32 24.677 21.986 7.807 1.00 12.45 H new ATOM 528 N SER A 33 28.256 22.243 11.338 1.00 16.31 N ATOM 529 CA SER A 33 29.728 22.184 11.154 1.00 18.98 C ATOM 530 C SER A 33 30.148 20.727 10.962 1.00 18.49 C ATOM 531 O SER A 33 31.149 20.435 10.338 1.00 21.34 O ATOM 532 CB SER A 33 30.415 22.759 12.390 1.00 19.20 C ATOM 533 OG SER A 33 31.701 22.172 12.526 1.00 24.11 O ATOM 0 H SER A 33 27.942 22.577 12.249 1.00 16.31 H new ATOM 0 HA SER A 33 30.017 22.766 10.279 1.00 18.98 H new ATOM 0 HB2 SER A 33 30.504 23.842 12.300 1.00 19.20 H new ATOM 0 HB3 SER A 33 29.816 22.561 13.279 1.00 19.20 H new ATOM 0 HG SER A 33 31.622 21.316 12.996 1.00 24.11 H new ATOM 539 N GLN A 34 29.389 19.808 11.497 1.00 20.00 N ATOM 540 CA GLN A 34 29.739 18.368 11.349 1.00 24.71 C ATOM 541 C GLN A 34 29.048 17.777 10.114 1.00 23.33 C ATOM 542 O GLN A 34 29.206 16.612 9.811 1.00 26.27 O ATOM 543 CB GLN A 34 29.299 17.608 12.603 1.00 28.15 C ATOM 544 CG GLN A 34 30.346 17.792 13.709 1.00 37.01 C ATOM 545 CD GLN A 34 30.170 19.161 14.368 1.00 41.74 C ATOM 546 OE1 GLN A 34 30.540 20.235 13.725 1.00 44.07 O flip ATOM 547 NE2 GLN A 34 29.694 19.255 15.481 1.00 41.20 N flip ATOM 0 H GLN A 34 28.540 19.994 12.031 1.00 20.00 H new ATOM 0 HA GLN A 34 30.818 18.274 11.224 1.00 24.71 H new ATOM 0 HB2 GLN A 34 28.330 17.974 12.941 1.00 28.15 H new ATOM 0 HB3 GLN A 34 29.178 16.549 12.375 1.00 28.15 H new ATOM 0 HG2 GLN A 34 30.243 17.004 14.455 1.00 37.01 H new ATOM 0 HG3 GLN A 34 31.349 17.706 13.291 1.00 37.01 H new ATOM 0 HE21 GLN A 34 29.405 18.416 15.984 1.00 41.20 H new ATOM 0 HE22 GLN A 34 29.584 20.173 15.913 1.00 41.20 H new ATOM 556 N LEU A 35 28.292 18.561 9.388 1.00 19.63 N ATOM 557 CA LEU A 35 27.616 18.018 8.179 1.00 15.93 C ATOM 558 C LEU A 35 28.579 18.153 6.984 1.00 13.36 C ATOM 559 O LEU A 35 29.180 19.195 6.810 1.00 16.12 O ATOM 560 CB LEU A 35 26.339 18.830 7.909 1.00 13.69 C ATOM 561 CG LEU A 35 25.183 18.350 8.807 1.00 11.57 C ATOM 562 CD1 LEU A 35 23.926 19.158 8.477 1.00 11.03 C ATOM 563 CD2 LEU A 35 24.893 16.858 8.571 1.00 16.28 C ATOM 0 H LEU A 35 28.116 19.547 9.581 1.00 19.63 H new ATOM 0 HA LEU A 35 27.351 16.971 8.327 1.00 15.93 H new ATOM 0 HB2 LEU A 35 26.531 19.888 8.090 1.00 13.69 H new ATOM 0 HB3 LEU A 35 26.056 18.732 6.861 1.00 13.69 H new ATOM 0 HG LEU A 35 25.467 18.493 9.850 1.00 11.57 H new ATOM 0 HD11 LEU A 35 23.103 18.824 9.109 1.00 11.03 H new ATOM 0 HD12 LEU A 35 24.116 20.216 8.657 1.00 11.03 H new ATOM 0 HD13 LEU A 35 23.663 19.010 7.430 1.00 11.03 H new ATOM 0 HD21 LEU A 35 24.073 16.540 9.215 1.00 16.28 H new ATOM 0 HD22 LEU A 35 24.616 16.702 7.528 1.00 16.28 H new ATOM 0 HD23 LEU A 35 25.783 16.273 8.802 1.00 16.28 H new ATOM 575 N PRO A 36 28.721 17.102 6.199 1.00 16.38 N ATOM 576 CA PRO A 36 29.631 17.122 5.039 1.00 17.59 C ATOM 577 C PRO A 36 29.106 18.095 3.978 1.00 19.11 C ATOM 578 O PRO A 36 28.783 17.714 2.872 1.00 21.54 O ATOM 579 CB PRO A 36 29.624 15.680 4.512 1.00 16.71 C ATOM 580 CG PRO A 36 28.451 14.951 5.206 1.00 16.59 C ATOM 581 CD PRO A 36 28.003 15.826 6.387 1.00 15.74 C ATOM 0 HA PRO A 36 30.636 17.453 5.299 1.00 17.59 H new ATOM 0 HB2 PRO A 36 29.500 15.666 3.429 1.00 16.71 H new ATOM 0 HB3 PRO A 36 30.570 15.185 4.731 1.00 16.71 H new ATOM 0 HG2 PRO A 36 27.628 14.797 4.508 1.00 16.59 H new ATOM 0 HG3 PRO A 36 28.763 13.966 5.554 1.00 16.59 H new ATOM 0 HD2 PRO A 36 26.923 15.975 6.383 1.00 15.74 H new ATOM 0 HD3 PRO A 36 28.258 15.365 7.341 1.00 15.74 H new ATOM 589 N ILE A 37 29.030 19.349 4.310 1.00 0.00 N ATOM 590 CA ILE A 37 28.540 20.354 3.325 1.00 0.00 C ATOM 591 C ILE A 37 29.680 20.701 2.375 1.00 0.00 C ATOM 592 O ILE A 37 30.826 20.790 2.771 1.00 0.00 O ATOM 593 CB ILE A 37 28.087 21.620 4.055 1.00 0.00 C ATOM 594 CG1 ILE A 37 26.838 21.293 4.904 1.00 0.00 C ATOM 595 CG2 ILE A 37 27.785 22.725 3.023 1.00 0.00 C ATOM 596 CD1 ILE A 37 25.549 21.512 4.104 1.00 0.00 C ATOM 0 H ILE A 37 29.286 19.725 5.223 1.00 0.00 H new ATOM 0 HA ILE A 37 27.697 19.943 2.769 1.00 0.00 H new ATOM 0 HB ILE A 37 28.874 21.978 4.719 1.00 0.00 H new ATOM 0 HG12 ILE A 37 26.887 20.258 5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 37 26.827 21.921 5.795 1.00 0.00 H new ATOM 0 HG21 ILE A 37 27.462 23.628 3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 37 28.685 22.940 2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 37 26.995 22.390 2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 37 24.688 21.273 4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 37 25.490 22.553 3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 37 25.551 20.865 3.227 1.00 0.00 H new ATOM 608 N LYS A 38 29.382 20.886 1.122 1.00 12.68 N ATOM 609 CA LYS A 38 30.457 21.212 0.150 1.00 12.78 C ATOM 610 C LYS A 38 31.220 22.454 0.612 1.00 14.66 C ATOM 611 O LYS A 38 30.703 23.301 1.312 1.00 13.94 O ATOM 612 CB LYS A 38 29.864 21.458 -1.233 1.00 11.68 C ATOM 613 CG LYS A 38 28.761 20.430 -1.509 1.00 12.28 C ATOM 614 CD LYS A 38 28.271 20.562 -2.956 1.00 13.74 C ATOM 615 CE LYS A 38 29.397 20.211 -3.937 1.00 20.88 C ATOM 616 NZ LYS A 38 30.240 19.118 -3.371 1.00 29.41 N ATOM 0 H LYS A 38 28.442 20.826 0.730 1.00 12.68 H new ATOM 0 HA LYS A 38 31.144 20.368 0.095 1.00 12.78 H new ATOM 0 HB2 LYS A 38 29.457 22.468 -1.291 1.00 11.68 H new ATOM 0 HB3 LYS A 38 30.643 21.384 -1.992 1.00 11.68 H new ATOM 0 HG2 LYS A 38 29.140 19.423 -1.335 1.00 12.28 H new ATOM 0 HG3 LYS A 38 27.930 20.582 -0.820 1.00 12.28 H new ATOM 0 HD2 LYS A 38 27.419 19.902 -3.120 1.00 13.74 H new ATOM 0 HD3 LYS A 38 27.926 21.580 -3.138 1.00 13.74 H new ATOM 0 HE2 LYS A 38 28.975 19.899 -4.892 1.00 20.88 H new ATOM 0 HE3 LYS A 38 30.010 21.091 -4.131 1.00 20.88 H new ATOM 0 HZ1 LYS A 38 30.795 18.678 -4.133 1.00 29.41 H new ATOM 0 HZ2 LYS A 38 30.885 19.512 -2.656 1.00 29.41 H new ATOM 0 HZ3 LYS A 38 29.629 18.402 -2.929 1.00 29.41 H new ATOM 630 N GLN A 39 32.454 22.547 0.222 1.00 0.00 N ATOM 631 CA GLN A 39 33.304 23.709 0.616 1.00 0.00 C ATOM 632 C GLN A 39 32.673 25.039 0.180 1.00 0.00 C ATOM 633 O GLN A 39 32.140 25.162 -0.905 1.00 0.00 O ATOM 634 CB GLN A 39 34.679 23.567 -0.039 1.00 0.00 C ATOM 635 CG GLN A 39 35.443 22.416 0.620 1.00 0.00 C ATOM 636 CD GLN A 39 34.739 21.092 0.314 1.00 0.00 C ATOM 637 OE1 GLN A 39 34.138 20.937 -0.731 1.00 0.00 O ATOM 638 NE2 GLN A 39 34.786 20.124 1.189 1.00 0.00 N ATOM 0 H GLN A 39 32.923 21.857 -0.364 1.00 0.00 H new ATOM 0 HA GLN A 39 33.395 23.715 1.702 1.00 0.00 H new ATOM 0 HB2 GLN A 39 34.567 23.379 -1.107 1.00 0.00 H new ATOM 0 HB3 GLN A 39 35.240 24.496 0.064 1.00 0.00 H new ATOM 0 HG2 GLN A 39 36.468 22.388 0.251 1.00 0.00 H new ATOM 0 HG3 GLN A 39 35.496 22.571 1.698 1.00 0.00 H new ATOM 0 HE21 GLN A 39 35.290 20.253 2.066 1.00 0.00 H new ATOM 0 HE22 GLN A 39 34.319 19.238 0.995 1.00 0.00 H new ATOM 647 N GLY A 40 32.777 26.046 1.008 1.00 11.96 N ATOM 648 CA GLY A 40 32.239 27.394 0.649 1.00 8.67 C ATOM 649 C GLY A 40 30.715 27.381 0.506 1.00 10.51 C ATOM 650 O GLY A 40 30.129 28.347 0.060 1.00 15.27 O ATOM 0 H GLY A 40 33.216 25.992 1.927 1.00 11.96 H new ATOM 0 HA2 GLY A 40 32.526 28.115 1.415 1.00 8.67 H new ATOM 0 HA3 GLY A 40 32.689 27.727 -0.287 1.00 8.67 H new ATOM 654 N LEU A 41 30.061 26.314 0.875 1.00 8.78 N ATOM 655 CA LEU A 41 28.568 26.278 0.744 1.00 6.78 C ATOM 656 C LEU A 41 27.922 26.576 2.095 1.00 7.45 C ATOM 657 O LEU A 41 26.837 27.120 2.170 1.00 2.18 O ATOM 658 CB LEU A 41 28.132 24.881 0.275 1.00 6.98 C ATOM 659 CG LEU A 41 27.303 24.985 -1.008 1.00 7.77 C ATOM 660 CD1 LEU A 41 28.235 25.191 -2.204 1.00 7.97 C ATOM 661 CD2 LEU A 41 26.497 23.696 -1.195 1.00 6.68 C ATOM 0 H LEU A 41 30.487 25.470 1.259 1.00 8.78 H new ATOM 0 HA LEU A 41 28.254 27.028 0.019 1.00 6.78 H new ATOM 0 HB2 LEU A 41 29.010 24.259 0.099 1.00 6.98 H new ATOM 0 HB3 LEU A 41 27.547 24.394 1.055 1.00 6.98 H new ATOM 0 HG LEU A 41 26.621 25.832 -0.936 1.00 7.77 H new ATOM 0 HD11 LEU A 41 27.644 25.265 -3.117 1.00 7.97 H new ATOM 0 HD12 LEU A 41 28.806 26.109 -2.066 1.00 7.97 H new ATOM 0 HD13 LEU A 41 28.919 24.346 -2.282 1.00 7.97 H new ATOM 0 HD21 LEU A 41 25.905 23.766 -2.108 1.00 6.68 H new ATOM 0 HD22 LEU A 41 27.178 22.848 -1.268 1.00 6.68 H new ATOM 0 HD23 LEU A 41 25.833 23.555 -0.342 1.00 6.68 H new ATOM 673 N LEU A 42 28.575 26.217 3.156 1.00 7.13 N ATOM 674 CA LEU A 42 28.000 26.461 4.505 1.00 6.20 C ATOM 675 C LEU A 42 28.573 27.755 5.078 1.00 5.03 C ATOM 676 O LEU A 42 29.767 27.981 5.059 1.00 5.38 O ATOM 677 CB LEU A 42 28.371 25.288 5.409 1.00 3.82 C ATOM 678 CG LEU A 42 27.861 25.526 6.829 1.00 3.80 C ATOM 679 CD1 LEU A 42 26.340 25.727 6.813 1.00 3.57 C ATOM 680 CD2 LEU A 42 28.210 24.308 7.688 1.00 2.48 C ATOM 0 H LEU A 42 29.488 25.762 3.150 1.00 7.13 H new ATOM 0 HA LEU A 42 26.916 26.553 4.440 1.00 6.20 H new ATOM 0 HB2 LEU A 42 27.945 24.366 5.013 1.00 3.82 H new ATOM 0 HB3 LEU A 42 29.453 25.159 5.422 1.00 3.82 H new ATOM 0 HG LEU A 42 28.329 26.420 7.242 1.00 3.80 H new ATOM 0 HD11 LEU A 42 25.985 25.896 7.829 1.00 3.57 H new ATOM 0 HD12 LEU A 42 26.094 26.590 6.194 1.00 3.57 H new ATOM 0 HD13 LEU A 42 25.860 24.838 6.404 1.00 3.57 H new ATOM 0 HD21 LEU A 42 27.851 24.465 8.705 1.00 2.48 H new ATOM 0 HD22 LEU A 42 27.737 23.420 7.269 1.00 2.48 H new ATOM 0 HD23 LEU A 42 29.291 24.170 7.702 1.00 2.48 H new ATOM 692 N GLU A 43 27.727 28.610 5.586 1.00 5.92 N ATOM 693 CA GLU A 43 28.210 29.897 6.162 1.00 7.54 C ATOM 694 C GLU A 43 27.392 30.235 7.412 1.00 6.00 C ATOM 695 O GLU A 43 26.397 29.604 7.710 1.00 4.97 O ATOM 696 CB GLU A 43 28.041 31.015 5.120 1.00 8.77 C ATOM 697 CG GLU A 43 29.131 32.082 5.305 1.00 16.17 C ATOM 698 CD GLU A 43 30.407 31.651 4.577 1.00 21.65 C ATOM 699 OE1 GLU A 43 30.467 30.510 4.150 1.00 22.03 O ATOM 700 OE2 GLU A 43 31.303 32.471 4.460 1.00 19.19 O ATOM 0 H GLU A 43 26.717 28.471 5.627 1.00 5.92 H new ATOM 0 HA GLU A 43 29.262 29.805 6.432 1.00 7.54 H new ATOM 0 HB2 GLU A 43 28.098 30.597 4.115 1.00 8.77 H new ATOM 0 HB3 GLU A 43 27.056 31.470 5.221 1.00 8.77 H new ATOM 0 HG2 GLU A 43 28.785 33.040 4.916 1.00 16.17 H new ATOM 0 HG3 GLU A 43 29.337 32.225 6.366 1.00 16.17 H new ATOM 707 N PHE A 44 27.805 31.242 8.129 1.00 7.78 N ATOM 708 CA PHE A 44 27.072 31.669 9.353 1.00 9.60 C ATOM 709 C PHE A 44 26.925 33.188 9.283 1.00 6.71 C ATOM 710 O PHE A 44 27.892 33.921 9.363 1.00 6.85 O ATOM 711 CB PHE A 44 27.866 31.254 10.594 1.00 12.09 C ATOM 712 CG PHE A 44 28.260 29.800 10.459 1.00 13.87 C ATOM 713 CD1 PHE A 44 27.317 28.793 10.704 1.00 15.74 C ATOM 714 CD2 PHE A 44 29.564 29.458 10.077 1.00 15.90 C ATOM 715 CE1 PHE A 44 27.678 27.448 10.568 1.00 13.82 C ATOM 716 CE2 PHE A 44 29.924 28.112 9.944 1.00 16.33 C ATOM 717 CZ PHE A 44 28.982 27.108 10.189 1.00 10.85 C ATOM 0 H PHE A 44 28.634 31.797 7.915 1.00 7.78 H new ATOM 0 HA PHE A 44 26.090 31.200 9.414 1.00 9.60 H new ATOM 0 HB2 PHE A 44 28.754 31.877 10.699 1.00 12.09 H new ATOM 0 HB3 PHE A 44 27.266 31.400 11.492 1.00 12.09 H new ATOM 0 HD1 PHE A 44 26.311 29.055 10.998 1.00 15.74 H new ATOM 0 HD2 PHE A 44 30.291 30.233 9.885 1.00 15.90 H new ATOM 0 HE1 PHE A 44 26.951 26.672 10.755 1.00 13.82 H new ATOM 0 HE2 PHE A 44 30.930 27.849 9.652 1.00 16.33 H new ATOM 0 HZ PHE A 44 29.261 26.070 10.086 1.00 10.85 H new ATOM 727 N VAL A 45 25.727 33.661 9.076 1.00 6.10 N ATOM 728 CA VAL A 45 25.512 35.128 8.930 1.00 6.58 C ATOM 729 C VAL A 45 25.136 35.773 10.264 1.00 6.12 C ATOM 730 O VAL A 45 24.011 35.693 10.716 1.00 5.14 O ATOM 731 CB VAL A 45 24.389 35.348 7.913 1.00 5.25 C ATOM 732 CG1 VAL A 45 23.927 36.807 7.939 1.00 2.00 C ATOM 733 CG2 VAL A 45 24.911 35.006 6.517 1.00 2.33 C ATOM 0 H VAL A 45 24.884 33.092 9.001 1.00 6.10 H new ATOM 0 HA VAL A 45 26.438 35.592 8.590 1.00 6.58 H new ATOM 0 HB VAL A 45 23.544 34.708 8.166 1.00 5.25 H new ATOM 0 HG11 VAL A 45 23.128 36.949 7.211 1.00 2.00 H new ATOM 0 HG12 VAL A 45 23.559 37.054 8.935 1.00 2.00 H new ATOM 0 HG13 VAL A 45 24.765 37.458 7.690 1.00 2.00 H new ATOM 0 HG21 VAL A 45 24.118 35.159 5.785 1.00 2.33 H new ATOM 0 HG22 VAL A 45 25.757 35.650 6.277 1.00 2.33 H new ATOM 0 HG23 VAL A 45 25.230 33.964 6.493 1.00 2.33 H new ATOM 743 N ASP A 46 26.071 36.442 10.877 1.00 6.79 N ATOM 744 CA ASP A 46 25.786 37.135 12.161 1.00 6.49 C ATOM 745 C ASP A 46 25.123 38.480 11.849 1.00 9.11 C ATOM 746 O ASP A 46 25.780 39.431 11.475 1.00 7.52 O ATOM 747 CB ASP A 46 27.100 37.364 12.908 1.00 7.84 C ATOM 748 CG ASP A 46 27.880 36.050 12.981 1.00 10.03 C ATOM 749 OD1 ASP A 46 27.397 35.066 12.445 1.00 10.50 O ATOM 750 OD2 ASP A 46 28.946 36.051 13.572 1.00 15.32 O ATOM 0 H ASP A 46 27.029 36.539 10.539 1.00 6.79 H new ATOM 0 HA ASP A 46 25.123 36.532 12.782 1.00 6.49 H new ATOM 0 HB2 ASP A 46 27.693 38.124 12.398 1.00 7.84 H new ATOM 0 HB3 ASP A 46 26.900 37.737 13.912 1.00 7.84 H new ATOM 755 N ILE A 47 23.828 38.561 11.975 1.00 8.21 N ATOM 756 CA ILE A 47 23.126 39.839 11.658 1.00 8.33 C ATOM 757 C ILE A 47 23.592 40.959 12.591 1.00 10.92 C ATOM 758 O ILE A 47 23.118 42.075 12.514 1.00 9.40 O ATOM 759 CB ILE A 47 21.617 39.640 11.794 1.00 6.42 C ATOM 760 CG1 ILE A 47 21.278 39.115 13.191 1.00 6.34 C ATOM 761 CG2 ILE A 47 21.156 38.623 10.751 1.00 3.40 C ATOM 762 CD1 ILE A 47 19.777 39.272 13.438 1.00 7.93 C ATOM 0 H ILE A 47 23.224 37.799 12.283 1.00 8.21 H new ATOM 0 HA ILE A 47 23.365 40.125 10.634 1.00 8.33 H new ATOM 0 HB ILE A 47 21.113 40.594 11.641 1.00 6.42 H new ATOM 0 HG12 ILE A 47 21.565 38.067 13.278 1.00 6.34 H new ATOM 0 HG13 ILE A 47 21.842 39.664 13.945 1.00 6.34 H new ATOM 0 HG21 ILE A 47 20.080 38.473 10.839 1.00 3.40 H new ATOM 0 HG22 ILE A 47 21.390 38.994 9.753 1.00 3.40 H new ATOM 0 HG23 ILE A 47 21.669 37.675 10.915 1.00 3.40 H new ATOM 0 HD11 ILE A 47 19.531 38.899 14.432 1.00 7.93 H new ATOM 0 HD12 ILE A 47 19.505 40.325 13.368 1.00 7.93 H new ATOM 0 HD13 ILE A 47 19.224 38.704 12.690 1.00 7.93 H new ATOM 774 N THR A 48 24.519 40.680 13.467 1.00 13.41 N ATOM 775 CA THR A 48 25.008 41.743 14.391 1.00 16.67 C ATOM 776 C THR A 48 26.276 42.367 13.807 1.00 16.58 C ATOM 777 O THR A 48 26.627 43.490 14.113 1.00 18.03 O ATOM 778 CB THR A 48 25.324 41.132 15.758 1.00 15.80 C ATOM 779 OG1 THR A 48 26.537 40.397 15.677 1.00 21.06 O ATOM 780 CG2 THR A 48 24.190 40.199 16.184 1.00 21.72 C ATOM 0 H THR A 48 24.957 39.766 13.583 1.00 13.41 H new ATOM 0 HA THR A 48 24.240 42.507 14.509 1.00 16.67 H new ATOM 0 HB THR A 48 25.427 41.930 16.494 1.00 15.80 H new ATOM 0 HG1 THR A 48 26.742 40.006 16.552 1.00 21.06 H new ATOM 0 HG21 THR A 48 24.421 39.767 17.158 1.00 21.72 H new ATOM 0 HG22 THR A 48 23.260 40.763 16.248 1.00 21.72 H new ATOM 0 HG23 THR A 48 24.080 39.401 15.450 1.00 21.72 H new ATOM 788 N ALA A 49 26.962 41.649 12.959 1.00 15.36 N ATOM 789 CA ALA A 49 28.202 42.199 12.344 1.00 18.08 C ATOM 790 C ALA A 49 27.821 43.186 11.239 1.00 20.63 C ATOM 791 O ALA A 49 28.654 43.631 10.473 1.00 22.45 O ATOM 792 CB ALA A 49 29.026 41.057 11.747 1.00 18.76 C ATOM 0 H ALA A 49 26.716 40.704 12.666 1.00 15.36 H new ATOM 0 HA ALA A 49 28.792 42.711 13.104 1.00 18.08 H new ATOM 0 HB1 ALA A 49 29.933 41.460 11.297 1.00 18.76 H new ATOM 0 HB2 ALA A 49 29.293 40.351 12.534 1.00 18.76 H new ATOM 0 HB3 ALA A 49 28.439 40.545 10.984 1.00 18.76 H new ATOM 798 N THR A 50 26.562 43.527 11.148 1.00 22.30 N ATOM 799 CA THR A 50 26.110 44.479 10.092 1.00 25.27 C ATOM 800 C THR A 50 25.126 45.478 10.697 1.00 24.34 C ATOM 801 O THR A 50 24.725 46.431 10.060 1.00 25.49 O ATOM 802 CB THR A 50 25.413 43.700 8.970 1.00 22.85 C ATOM 803 OG1 THR A 50 25.184 44.565 7.866 1.00 23.28 O ATOM 804 CG2 THR A 50 24.074 43.152 9.474 1.00 25.63 C ATOM 0 H THR A 50 25.824 43.185 11.763 1.00 22.30 H new ATOM 0 HA THR A 50 26.971 45.012 9.689 1.00 25.27 H new ATOM 0 HB THR A 50 26.048 42.870 8.660 1.00 22.85 H new ATOM 0 HG1 THR A 50 24.895 45.443 8.193 1.00 23.28 H new ATOM 0 HG21 THR A 50 23.583 42.599 8.673 1.00 25.63 H new ATOM 0 HG22 THR A 50 24.248 42.487 10.320 1.00 25.63 H new ATOM 0 HG23 THR A 50 23.437 43.979 9.788 1.00 25.63 H new ATOM 812 N ASN A 51 24.731 45.263 11.920 1.00 0.00 N ATOM 813 CA ASN A 51 23.770 46.195 12.569 1.00 0.00 C ATOM 814 C ASN A 51 22.404 46.038 11.897 1.00 0.00 C ATOM 815 O ASN A 51 22.153 45.070 11.209 1.00 0.00 O ATOM 816 CB ASN A 51 24.268 47.638 12.431 1.00 0.00 C ATOM 817 CG ASN A 51 25.796 47.666 12.544 1.00 0.00 C ATOM 818 OD1 ASN A 51 26.421 46.653 12.789 1.00 0.00 O ATOM 819 ND2 ASN A 51 26.430 48.794 12.376 1.00 0.00 N ATOM 0 H ASN A 51 25.033 44.480 12.499 1.00 0.00 H new ATOM 0 HA ASN A 51 23.684 45.962 13.630 1.00 0.00 H new ATOM 0 HB2 ASN A 51 23.956 48.051 11.472 1.00 0.00 H new ATOM 0 HB3 ASN A 51 23.824 48.263 13.206 1.00 0.00 H new ATOM 0 HD21 ASN A 51 27.447 48.823 12.450 1.00 0.00 H new ATOM 0 HD22 ASN A 51 25.909 49.646 12.170 1.00 0.00 H new ATOM 826 N HIS A 52 21.516 46.973 12.090 1.00 0.00 N ATOM 827 CA HIS A 52 20.173 46.850 11.455 1.00 0.00 C ATOM 828 C HIS A 52 19.566 45.504 11.857 1.00 0.00 C ATOM 829 O HIS A 52 18.697 44.977 11.194 1.00 0.00 O ATOM 830 CB HIS A 52 20.313 46.914 9.927 1.00 0.00 C ATOM 831 CG HIS A 52 21.541 47.702 9.556 1.00 0.00 C ATOM 832 ND1 HIS A 52 22.004 48.930 9.960 1.00 0.00 N flip ATOM 833 CD2 HIS A 52 22.469 47.231 8.640 1.00 0.00 C flip ATOM 834 CE1 HIS A 52 23.199 49.218 9.307 1.00 0.00 C flip ATOM 835 NE2 HIS A 52 23.433 48.161 8.524 1.00 0.00 N flip ATOM 0 H HIS A 52 21.659 47.810 12.655 1.00 0.00 H new ATOM 0 HA HIS A 52 19.530 47.666 11.786 1.00 0.00 H new ATOM 0 HB2 HIS A 52 20.380 45.906 9.517 1.00 0.00 H new ATOM 0 HB3 HIS A 52 19.428 47.377 9.491 1.00 0.00 H new ATOM 0 HD2 HIS A 52 22.425 46.288 8.115 1.00 0.00 H new ATOM 0 HE1 HIS A 52 23.806 50.105 9.411 1.00 0.00 H new ATOM 0 HE2 HIS A 52 24.244 48.071 7.913 1.00 0.00 H new ATOM 843 N THR A 53 20.038 44.941 12.935 1.00 18.27 N ATOM 844 CA THR A 53 19.523 43.618 13.395 1.00 16.01 C ATOM 845 C THR A 53 18.001 43.536 13.218 1.00 16.57 C ATOM 846 O THR A 53 17.498 42.674 12.529 1.00 18.87 O ATOM 847 CB THR A 53 19.874 43.435 14.880 1.00 15.02 C ATOM 848 OG1 THR A 53 20.007 44.711 15.489 1.00 13.32 O ATOM 849 CG2 THR A 53 21.193 42.671 15.017 1.00 9.59 C ATOM 0 H THR A 53 20.766 45.345 13.524 1.00 18.27 H new ATOM 0 HA THR A 53 19.984 42.832 12.797 1.00 16.01 H new ATOM 0 HB THR A 53 19.081 42.869 15.369 1.00 15.02 H new ATOM 0 HG1 THR A 53 20.229 44.599 16.437 1.00 13.32 H new ATOM 0 HG21 THR A 53 21.433 42.546 16.073 1.00 9.59 H new ATOM 0 HG22 THR A 53 21.096 41.691 14.549 1.00 9.59 H new ATOM 0 HG23 THR A 53 21.990 43.230 14.527 1.00 9.59 H new ATOM 857 N ASN A 54 17.268 44.409 13.851 1.00 13.94 N ATOM 858 CA ASN A 54 15.780 44.358 13.741 1.00 18.93 C ATOM 859 C ASN A 54 15.336 44.379 12.275 1.00 16.34 C ATOM 860 O ASN A 54 14.356 43.759 11.917 1.00 15.61 O ATOM 861 CB ASN A 54 15.175 45.559 14.468 1.00 24.12 C ATOM 862 CG ASN A 54 15.732 45.627 15.888 1.00 35.27 C ATOM 863 OD1 ASN A 54 16.859 46.031 16.095 1.00 45.21 O ATOM 864 ND2 ASN A 54 14.981 45.247 16.881 1.00 37.58 N ATOM 0 H ASN A 54 17.634 45.157 14.441 1.00 13.94 H new ATOM 0 HA ASN A 54 15.433 43.430 14.195 1.00 18.93 H new ATOM 0 HB2 ASN A 54 15.407 46.478 13.930 1.00 24.12 H new ATOM 0 HB3 ASN A 54 14.089 45.472 14.496 1.00 24.12 H new ATOM 0 HD21 ASN A 54 15.338 45.288 17.835 1.00 37.58 H new ATOM 0 HD22 ASN A 54 14.035 44.908 16.705 1.00 37.58 H new ATOM 871 N GLU A 55 16.028 45.084 11.424 1.00 16.09 N ATOM 872 CA GLU A 55 15.603 45.127 9.994 1.00 15.04 C ATOM 873 C GLU A 55 15.686 43.727 9.382 1.00 15.56 C ATOM 874 O GLU A 55 14.776 43.285 8.709 1.00 18.95 O ATOM 875 CB GLU A 55 16.513 46.075 9.212 1.00 18.55 C ATOM 876 CG GLU A 55 16.292 47.510 9.692 1.00 23.55 C ATOM 877 CD GLU A 55 16.990 48.479 8.736 1.00 30.41 C ATOM 878 OE1 GLU A 55 17.113 48.143 7.569 1.00 31.49 O ATOM 879 OE2 GLU A 55 17.391 49.539 9.186 1.00 33.02 O ATOM 0 H GLU A 55 16.861 45.627 11.651 1.00 16.09 H new ATOM 0 HA GLU A 55 14.574 45.484 9.942 1.00 15.04 H new ATOM 0 HB2 GLU A 55 17.556 45.791 9.351 1.00 18.55 H new ATOM 0 HB3 GLU A 55 16.302 46.001 8.145 1.00 18.55 H new ATOM 0 HG2 GLU A 55 15.225 47.730 9.736 1.00 23.55 H new ATOM 0 HG3 GLU A 55 16.684 47.632 10.702 1.00 23.55 H new ATOM 886 N ILE A 56 16.763 43.023 9.601 1.00 9.56 N ATOM 887 CA ILE A 56 16.876 41.657 9.017 1.00 8.91 C ATOM 888 C ILE A 56 15.831 40.739 9.657 1.00 7.70 C ATOM 889 O ILE A 56 15.052 40.114 8.968 1.00 9.84 O ATOM 890 CB ILE A 56 18.282 41.100 9.253 1.00 5.82 C ATOM 891 CG1 ILE A 56 19.283 41.819 8.329 1.00 6.47 C ATOM 892 CG2 ILE A 56 18.288 39.599 8.942 1.00 2.31 C ATOM 893 CD1 ILE A 56 19.841 43.061 9.029 1.00 8.03 C ATOM 0 H ILE A 56 17.563 43.331 10.154 1.00 9.56 H new ATOM 0 HA ILE A 56 16.698 41.709 7.943 1.00 8.91 H new ATOM 0 HB ILE A 56 18.570 41.261 10.292 1.00 5.82 H new ATOM 0 HG12 ILE A 56 20.097 41.144 8.065 1.00 6.47 H new ATOM 0 HG13 ILE A 56 18.792 42.105 7.399 1.00 6.47 H new ATOM 0 HG21 ILE A 56 19.287 39.197 9.108 1.00 2.31 H new ATOM 0 HG22 ILE A 56 17.579 39.089 9.594 1.00 2.31 H new ATOM 0 HG23 ILE A 56 18.002 39.442 7.902 1.00 2.31 H new ATOM 0 HD11 ILE A 56 20.548 43.564 8.369 1.00 8.03 H new ATOM 0 HD12 ILE A 56 19.024 43.741 9.271 1.00 8.03 H new ATOM 0 HD13 ILE A 56 20.349 42.764 9.946 1.00 8.03 H new ATOM 905 N GLN A 57 15.784 40.656 10.964 1.00 7.49 N ATOM 906 CA GLN A 57 14.757 39.775 11.595 1.00 6.88 C ATOM 907 C GLN A 57 13.398 40.227 11.097 1.00 9.50 C ATOM 908 O GLN A 57 12.565 39.433 10.710 1.00 11.03 O ATOM 909 CB GLN A 57 14.787 39.911 13.116 1.00 11.02 C ATOM 910 CG GLN A 57 16.231 40.036 13.601 1.00 12.13 C ATOM 911 CD GLN A 57 16.380 39.320 14.946 1.00 16.77 C ATOM 912 OE1 GLN A 57 16.687 38.145 14.989 1.00 17.49 O ATOM 913 NE2 GLN A 57 16.164 39.979 16.052 1.00 17.84 N ATOM 0 H GLN A 57 16.400 41.150 11.609 1.00 7.49 H new ATOM 0 HA GLN A 57 14.958 38.736 11.335 1.00 6.88 H new ATOM 0 HB2 GLN A 57 14.215 40.787 13.422 1.00 11.02 H new ATOM 0 HB3 GLN A 57 14.314 39.044 13.576 1.00 11.02 H new ATOM 0 HG2 GLN A 57 16.911 39.602 12.868 1.00 12.13 H new ATOM 0 HG3 GLN A 57 16.502 41.087 13.704 1.00 12.13 H new ATOM 0 HE21 GLN A 57 15.906 40.965 16.016 1.00 17.84 H new ATOM 0 HE22 GLN A 57 16.253 39.508 16.952 1.00 17.84 H new ATOM 922 N ASP A 58 13.181 41.510 11.078 1.00 13.48 N ATOM 923 CA ASP A 58 11.888 42.026 10.574 1.00 13.94 C ATOM 924 C ASP A 58 11.682 41.431 9.186 1.00 13.32 C ATOM 925 O ASP A 58 10.578 41.135 8.773 1.00 14.28 O ATOM 926 CB ASP A 58 11.952 43.553 10.480 1.00 12.80 C ATOM 927 CG ASP A 58 11.712 44.167 11.861 1.00 17.19 C ATOM 928 OD1 ASP A 58 10.810 43.710 12.543 1.00 18.84 O ATOM 929 OD2 ASP A 58 12.436 45.084 12.213 1.00 15.13 O ATOM 0 H ASP A 58 13.844 42.220 11.390 1.00 13.48 H new ATOM 0 HA ASP A 58 11.068 41.754 11.238 1.00 13.94 H new ATOM 0 HB2 ASP A 58 12.925 43.863 10.098 1.00 12.80 H new ATOM 0 HB3 ASP A 58 11.203 43.915 9.776 1.00 12.80 H new ATOM 934 N TYR A 59 12.757 41.230 8.476 1.00 12.69 N ATOM 935 CA TYR A 59 12.648 40.624 7.122 1.00 10.10 C ATOM 936 C TYR A 59 12.462 39.112 7.268 1.00 7.75 C ATOM 937 O TYR A 59 11.578 38.530 6.672 1.00 5.81 O ATOM 938 CB TYR A 59 13.909 40.909 6.310 1.00 12.40 C ATOM 939 CG TYR A 59 13.645 40.560 4.867 1.00 12.76 C ATOM 940 CD1 TYR A 59 13.077 41.508 4.009 1.00 11.52 C ATOM 941 CD2 TYR A 59 13.960 39.283 4.390 1.00 6.81 C ATOM 942 CE1 TYR A 59 12.824 41.179 2.673 1.00 8.47 C ATOM 943 CE2 TYR A 59 13.709 38.954 3.054 1.00 10.94 C ATOM 944 CZ TYR A 59 13.141 39.901 2.194 1.00 9.37 C ATOM 945 OH TYR A 59 12.892 39.577 0.877 1.00 12.99 O ATOM 0 H TYR A 59 13.705 41.459 8.775 1.00 12.69 H new ATOM 0 HA TYR A 59 11.794 41.057 6.601 1.00 10.10 H new ATOM 0 HB2 TYR A 59 14.187 41.959 6.400 1.00 12.40 H new ATOM 0 HB3 TYR A 59 14.745 40.324 6.693 1.00 12.40 H new ATOM 0 HD1 TYR A 59 12.834 42.493 4.378 1.00 11.52 H new ATOM 0 HD2 TYR A 59 14.397 38.551 5.053 1.00 6.81 H new ATOM 0 HE1 TYR A 59 12.384 41.910 2.011 1.00 8.47 H new ATOM 0 HE2 TYR A 59 13.954 37.969 2.686 1.00 10.94 H new ATOM 0 HH TYR A 59 13.172 38.653 0.709 1.00 12.99 H new ATOM 955 N LEU A 60 13.276 38.465 8.069 1.00 10.71 N ATOM 956 CA LEU A 60 13.110 36.993 8.248 1.00 11.04 C ATOM 957 C LEU A 60 11.655 36.737 8.613 1.00 10.32 C ATOM 958 O LEU A 60 11.050 35.766 8.202 1.00 14.61 O ATOM 959 CB LEU A 60 14.007 36.482 9.384 1.00 7.24 C ATOM 960 CG LEU A 60 15.468 36.858 9.124 1.00 7.73 C ATOM 961 CD1 LEU A 60 16.335 36.361 10.287 1.00 9.54 C ATOM 962 CD2 LEU A 60 15.946 36.214 7.818 1.00 7.23 C ATOM 0 H LEU A 60 14.038 38.889 8.599 1.00 10.71 H new ATOM 0 HA LEU A 60 13.388 36.475 7.330 1.00 11.04 H new ATOM 0 HB2 LEU A 60 13.679 36.907 10.333 1.00 7.24 H new ATOM 0 HB3 LEU A 60 13.914 35.399 9.470 1.00 7.24 H new ATOM 0 HG LEU A 60 15.552 37.942 9.041 1.00 7.73 H new ATOM 0 HD11 LEU A 60 17.376 36.627 10.104 1.00 9.54 H new ATOM 0 HD12 LEU A 60 15.999 36.824 11.215 1.00 9.54 H new ATOM 0 HD13 LEU A 60 16.247 35.278 10.370 1.00 9.54 H new ATOM 0 HD21 LEU A 60 16.986 36.485 7.638 1.00 7.23 H new ATOM 0 HD22 LEU A 60 15.861 35.130 7.895 1.00 7.23 H new ATOM 0 HD23 LEU A 60 15.331 36.568 6.991 1.00 7.23 H new ATOM 974 N GLN A 61 11.091 37.627 9.375 1.00 10.78 N ATOM 975 CA GLN A 61 9.669 37.491 9.775 1.00 11.72 C ATOM 976 C GLN A 61 8.797 37.528 8.517 1.00 14.05 C ATOM 977 O GLN A 61 8.016 36.634 8.261 1.00 14.24 O ATOM 978 CB GLN A 61 9.317 38.663 10.697 1.00 17.47 C ATOM 979 CG GLN A 61 7.819 38.674 11.011 1.00 25.06 C ATOM 980 CD GLN A 61 7.502 37.610 12.064 1.00 31.26 C ATOM 981 OE1 GLN A 61 8.363 37.221 12.828 1.00 40.45 O ATOM 982 NE2 GLN A 61 6.294 37.120 12.137 1.00 30.05 N ATOM 0 H GLN A 61 11.562 38.454 9.742 1.00 10.78 H new ATOM 0 HA GLN A 61 9.499 36.550 10.298 1.00 11.72 H new ATOM 0 HB2 GLN A 61 9.887 38.588 11.623 1.00 17.47 H new ATOM 0 HB3 GLN A 61 9.601 39.603 10.223 1.00 17.47 H new ATOM 0 HG2 GLN A 61 7.521 39.658 11.374 1.00 25.06 H new ATOM 0 HG3 GLN A 61 7.247 38.482 10.103 1.00 25.06 H new ATOM 0 HE21 GLN A 61 5.571 37.447 11.495 1.00 30.05 H new ATOM 0 HE22 GLN A 61 6.073 36.410 12.836 1.00 30.05 H new ATOM 991 N GLN A 62 8.927 38.560 7.728 1.00 15.71 N ATOM 992 CA GLN A 62 8.108 38.660 6.487 1.00 18.54 C ATOM 993 C GLN A 62 8.525 37.562 5.504 1.00 19.36 C ATOM 994 O GLN A 62 7.701 36.972 4.834 1.00 19.52 O ATOM 995 CB GLN A 62 8.331 40.032 5.842 1.00 25.59 C ATOM 996 CG GLN A 62 7.170 40.354 4.892 1.00 34.08 C ATOM 997 CD GLN A 62 5.979 40.901 5.687 1.00 38.28 C ATOM 998 OE1 GLN A 62 6.046 40.961 6.990 1.00 41.81 O flip ATOM 999 NE2 GLN A 62 4.977 41.277 5.115 1.00 36.81 N flip ATOM 0 H GLN A 62 9.566 39.339 7.890 1.00 15.71 H new ATOM 0 HA GLN A 62 7.054 38.539 6.738 1.00 18.54 H new ATOM 0 HB2 GLN A 62 8.406 40.799 6.613 1.00 25.59 H new ATOM 0 HB3 GLN A 62 9.273 40.038 5.294 1.00 25.59 H new ATOM 0 HG2 GLN A 62 7.489 41.085 4.149 1.00 34.08 H new ATOM 0 HG3 GLN A 62 6.874 39.457 4.349 1.00 34.08 H new ATOM 0 HE21 GLN A 62 4.923 41.231 4.097 1.00 36.81 H new ATOM 0 HE22 GLN A 62 4.189 41.639 5.652 1.00 36.81 H new ATOM 1008 N LEU A 63 9.797 37.283 5.410 1.00 17.09 N ATOM 1009 CA LEU A 63 10.261 36.227 4.466 1.00 16.00 C ATOM 1010 C LEU A 63 9.701 34.871 4.894 1.00 11.34 C ATOM 1011 O LEU A 63 9.213 34.107 4.085 1.00 10.68 O ATOM 1012 CB LEU A 63 11.790 36.175 4.478 1.00 19.91 C ATOM 1013 CG LEU A 63 12.292 35.103 3.500 1.00 21.77 C ATOM 1014 CD1 LEU A 63 12.026 35.543 2.055 1.00 21.25 C ATOM 1015 CD2 LEU A 63 13.794 34.900 3.705 1.00 19.51 C ATOM 0 H LEU A 63 10.534 37.741 5.946 1.00 17.09 H new ATOM 0 HA LEU A 63 9.910 36.459 3.461 1.00 16.00 H new ATOM 0 HB2 LEU A 63 12.196 37.148 4.202 1.00 19.91 H new ATOM 0 HB3 LEU A 63 12.146 35.955 5.484 1.00 19.91 H new ATOM 0 HG LEU A 63 11.764 34.168 3.688 1.00 21.77 H new ATOM 0 HD11 LEU A 63 12.386 34.776 1.369 1.00 21.25 H new ATOM 0 HD12 LEU A 63 10.955 35.687 1.910 1.00 21.25 H new ATOM 0 HD13 LEU A 63 12.548 36.479 1.858 1.00 21.25 H new ATOM 0 HD21 LEU A 63 14.156 34.140 3.013 1.00 19.51 H new ATOM 0 HD22 LEU A 63 14.317 35.838 3.519 1.00 19.51 H new ATOM 0 HD23 LEU A 63 13.981 34.577 4.729 1.00 19.51 H new ATOM 1027 N THR A 64 9.778 34.569 6.159 1.00 10.04 N ATOM 1028 CA THR A 64 9.263 33.257 6.660 1.00 8.87 C ATOM 1029 C THR A 64 8.119 33.499 7.650 1.00 10.75 C ATOM 1030 O THR A 64 6.969 33.244 7.353 1.00 11.38 O ATOM 1031 CB THR A 64 10.400 32.496 7.358 1.00 7.78 C ATOM 1032 OG1 THR A 64 10.392 32.797 8.745 1.00 6.36 O ATOM 1033 CG2 THR A 64 11.746 32.911 6.756 1.00 6.96 C ATOM 0 H THR A 64 10.177 35.176 6.875 1.00 10.04 H new ATOM 0 HA THR A 64 8.893 32.666 5.822 1.00 8.87 H new ATOM 0 HB THR A 64 10.255 31.425 7.216 1.00 7.78 H new ATOM 0 HG1 THR A 64 11.117 32.310 9.190 1.00 6.36 H new ATOM 0 HG21 THR A 64 12.550 32.369 7.254 1.00 6.96 H new ATOM 0 HG22 THR A 64 11.756 32.677 5.691 1.00 6.96 H new ATOM 0 HG23 THR A 64 11.891 33.982 6.894 1.00 6.96 H new ATOM 1041 N GLY A 65 8.422 33.985 8.823 1.00 10.19 N ATOM 1042 CA GLY A 65 7.348 34.238 9.826 1.00 13.28 C ATOM 1043 C GLY A 65 7.962 34.278 11.225 1.00 14.66 C ATOM 1044 O GLY A 65 7.524 35.015 12.086 1.00 14.79 O ATOM 0 H GLY A 65 9.366 34.218 9.130 1.00 10.19 H new ATOM 0 HA2 GLY A 65 6.847 35.182 9.609 1.00 13.28 H new ATOM 0 HA3 GLY A 65 6.591 33.455 9.771 1.00 13.28 H new ATOM 1048 N ALA A 66 8.973 33.488 11.458 1.00 12.02 N ATOM 1049 CA ALA A 66 9.622 33.474 12.801 1.00 9.85 C ATOM 1050 C ALA A 66 10.845 34.392 12.801 1.00 14.04 C ATOM 1051 O ALA A 66 11.635 34.402 11.877 1.00 17.81 O ATOM 1052 CB ALA A 66 10.060 32.048 13.142 1.00 13.74 C ATOM 0 H ALA A 66 9.380 32.849 10.775 1.00 12.02 H new ATOM 0 HA ALA A 66 8.908 33.828 13.545 1.00 9.85 H new ATOM 0 HB1 ALA A 66 10.534 32.038 14.123 1.00 13.74 H new ATOM 0 HB2 ALA A 66 9.189 31.393 13.153 1.00 13.74 H new ATOM 0 HB3 ALA A 66 10.769 31.696 12.393 1.00 13.74 H new ATOM 1058 N ARG A 67 11.003 35.155 13.846 1.00 15.81 N ATOM 1059 CA ARG A 67 12.165 36.077 13.958 1.00 16.07 C ATOM 1060 C ARG A 67 13.085 35.550 15.065 1.00 14.37 C ATOM 1061 O ARG A 67 13.748 36.299 15.756 1.00 14.43 O ATOM 1062 CB ARG A 67 11.644 37.475 14.323 1.00 15.97 C ATOM 1063 CG ARG A 67 10.687 37.388 15.531 1.00 17.12 C ATOM 1064 CD ARG A 67 11.259 38.173 16.714 1.00 22.31 C ATOM 1065 NE ARG A 67 11.329 39.619 16.369 1.00 23.80 N ATOM 1066 CZ ARG A 67 11.462 40.507 17.316 1.00 23.98 C ATOM 1067 NH1 ARG A 67 11.507 40.127 18.564 1.00 29.76 N ATOM 1068 NH2 ARG A 67 11.543 41.775 17.015 1.00 21.50 N ATOM 0 H ARG A 67 10.364 35.178 14.641 1.00 15.81 H new ATOM 0 HA ARG A 67 12.717 36.134 13.020 1.00 16.07 H new ATOM 0 HB2 ARG A 67 12.481 38.133 14.559 1.00 15.97 H new ATOM 0 HB3 ARG A 67 11.126 37.912 13.470 1.00 15.97 H new ATOM 0 HG2 ARG A 67 9.709 37.786 15.259 1.00 17.12 H new ATOM 0 HG3 ARG A 67 10.540 36.346 15.814 1.00 17.12 H new ATOM 0 HD2 ARG A 67 10.633 38.029 17.595 1.00 22.31 H new ATOM 0 HD3 ARG A 67 12.252 37.800 16.964 1.00 22.31 H new ATOM 0 HE ARG A 67 11.273 39.915 15.395 1.00 23.80 H new ATOM 0 HH11 ARG A 67 11.438 39.137 18.798 1.00 29.76 H new ATOM 0 HH12 ARG A 67 11.611 40.820 19.305 1.00 29.76 H new ATOM 0 HH21 ARG A 67 11.502 42.071 16.040 1.00 21.50 H new ATOM 0 HH22 ARG A 67 11.647 42.469 17.755 1.00 21.50 H new ATOM 1082 N THR A 68 13.096 34.255 15.249 1.00 13.52 N ATOM 1083 CA THR A 68 13.928 33.635 16.323 1.00 14.97 C ATOM 1084 C THR A 68 15.359 33.364 15.840 1.00 12.85 C ATOM 1085 O THR A 68 15.673 33.467 14.670 1.00 10.80 O ATOM 1086 CB THR A 68 13.264 32.311 16.734 1.00 13.06 C ATOM 1087 OG1 THR A 68 12.052 32.161 16.012 1.00 18.26 O ATOM 1088 CG2 THR A 68 12.960 32.309 18.235 1.00 14.06 C ATOM 0 H THR A 68 12.556 33.592 14.693 1.00 13.52 H new ATOM 0 HA THR A 68 13.990 34.321 17.168 1.00 14.97 H new ATOM 0 HB THR A 68 13.942 31.487 16.511 1.00 13.06 H new ATOM 0 HG1 THR A 68 11.622 31.318 16.266 1.00 18.26 H new ATOM 0 HG21 THR A 68 12.490 31.365 18.510 1.00 14.06 H new ATOM 0 HG22 THR A 68 13.888 32.429 18.794 1.00 14.06 H new ATOM 0 HG23 THR A 68 12.285 33.132 18.471 1.00 14.06 H new ATOM 1096 N VAL A 69 16.218 32.991 16.756 1.00 8.20 N ATOM 1097 CA VAL A 69 17.634 32.671 16.411 1.00 5.92 C ATOM 1098 C VAL A 69 17.855 31.178 16.704 1.00 5.25 C ATOM 1099 O VAL A 69 17.481 30.721 17.759 1.00 5.78 O ATOM 1100 CB VAL A 69 18.577 33.491 17.309 1.00 4.36 C ATOM 1101 CG1 VAL A 69 19.987 33.453 16.743 1.00 2.07 C ATOM 1102 CG2 VAL A 69 18.112 34.947 17.392 1.00 4.08 C ATOM 0 H VAL A 69 15.991 32.894 17.746 1.00 8.20 H new ATOM 0 HA VAL A 69 17.834 32.904 15.365 1.00 5.92 H new ATOM 0 HB VAL A 69 18.565 33.055 18.308 1.00 4.36 H new ATOM 0 HG11 VAL A 69 20.651 34.035 17.382 1.00 2.07 H new ATOM 0 HG12 VAL A 69 20.335 32.421 16.702 1.00 2.07 H new ATOM 0 HG13 VAL A 69 19.987 33.876 15.738 1.00 2.07 H new ATOM 0 HG21 VAL A 69 18.792 35.510 18.031 1.00 4.08 H new ATOM 0 HG22 VAL A 69 18.107 35.385 16.394 1.00 4.08 H new ATOM 0 HG23 VAL A 69 17.106 34.984 17.810 1.00 4.08 H new ATOM 1112 N PRO A 70 18.441 30.436 15.794 1.00 5.33 N ATOM 1113 CA PRO A 70 18.933 30.912 14.479 1.00 6.04 C ATOM 1114 C PRO A 70 17.790 31.005 13.470 1.00 7.79 C ATOM 1115 O PRO A 70 16.630 30.933 13.806 1.00 7.15 O ATOM 1116 CB PRO A 70 19.884 29.789 14.028 1.00 3.22 C ATOM 1117 CG PRO A 70 19.487 28.524 14.827 1.00 6.88 C ATOM 1118 CD PRO A 70 18.665 29.001 16.036 1.00 6.17 C ATOM 0 HA PRO A 70 19.393 31.898 14.545 1.00 6.04 H new ATOM 0 HB2 PRO A 70 19.795 29.614 12.956 1.00 3.22 H new ATOM 0 HB3 PRO A 70 20.922 30.059 14.222 1.00 3.22 H new ATOM 0 HG2 PRO A 70 18.904 27.843 14.207 1.00 6.88 H new ATOM 0 HG3 PRO A 70 20.373 27.979 15.153 1.00 6.88 H new ATOM 0 HD2 PRO A 70 17.722 28.460 16.111 1.00 6.17 H new ATOM 0 HD3 PRO A 70 19.202 28.836 16.970 1.00 6.17 H new ATOM 1126 N ARG A 71 18.150 31.112 12.224 1.00 6.15 N ATOM 1127 CA ARG A 71 17.162 31.154 11.118 1.00 7.10 C ATOM 1128 C ARG A 71 17.881 30.550 9.908 1.00 4.23 C ATOM 1129 O ARG A 71 18.631 31.209 9.213 1.00 6.47 O ATOM 1130 CB ARG A 71 16.715 32.603 10.853 1.00 10.23 C ATOM 1131 CG ARG A 71 15.250 32.804 11.289 1.00 15.67 C ATOM 1132 CD ARG A 71 14.315 31.928 10.426 1.00 20.29 C ATOM 1133 NE ARG A 71 13.217 31.291 11.244 1.00 26.05 N ATOM 1134 CZ ARG A 71 13.434 30.722 12.407 1.00 19.78 C ATOM 1135 NH1 ARG A 71 14.626 30.678 12.921 1.00 22.60 N ATOM 1136 NH2 ARG A 71 12.436 30.174 13.053 1.00 23.53 N ATOM 0 H ARG A 71 19.121 31.174 11.919 1.00 6.15 H new ATOM 0 HA ARG A 71 16.254 30.597 11.351 1.00 7.10 H new ATOM 0 HB2 ARG A 71 17.360 33.294 11.396 1.00 10.23 H new ATOM 0 HB3 ARG A 71 16.820 32.834 9.793 1.00 10.23 H new ATOM 0 HG2 ARG A 71 15.137 32.544 12.341 1.00 15.67 H new ATOM 0 HG3 ARG A 71 14.973 33.853 11.189 1.00 15.67 H new ATOM 0 HD2 ARG A 71 13.872 32.538 9.639 1.00 20.29 H new ATOM 0 HD3 ARG A 71 14.899 31.149 9.936 1.00 20.29 H new ATOM 0 HE ARG A 71 12.265 31.303 10.877 1.00 26.05 H new ATOM 0 HH11 ARG A 71 15.413 31.090 12.420 1.00 22.60 H new ATOM 0 HH12 ARG A 71 14.775 30.232 13.826 1.00 22.60 H new ATOM 0 HH21 ARG A 71 11.498 30.191 12.652 1.00 23.53 H new ATOM 0 HH22 ARG A 71 12.596 29.730 13.957 1.00 23.53 H new ATOM 1150 N VAL A 72 17.712 29.269 9.720 1.00 4.55 N ATOM 1151 CA VAL A 72 18.431 28.539 8.635 1.00 6.53 C ATOM 1152 C VAL A 72 17.696 28.617 7.295 1.00 8.68 C ATOM 1153 O VAL A 72 16.501 28.826 7.231 1.00 6.48 O ATOM 1154 CB VAL A 72 18.540 27.078 9.064 1.00 5.42 C ATOM 1155 CG1 VAL A 72 19.176 26.253 7.945 1.00 3.69 C ATOM 1156 CG2 VAL A 72 19.398 26.991 10.334 1.00 3.35 C ATOM 0 H VAL A 72 17.094 28.686 10.284 1.00 4.55 H new ATOM 0 HA VAL A 72 19.409 28.997 8.490 1.00 6.53 H new ATOM 0 HB VAL A 72 17.546 26.681 9.268 1.00 5.42 H new ATOM 0 HG11 VAL A 72 19.251 25.212 8.258 1.00 3.69 H new ATOM 0 HG12 VAL A 72 18.559 26.319 7.049 1.00 3.69 H new ATOM 0 HG13 VAL A 72 20.172 26.639 7.729 1.00 3.69 H new ATOM 0 HG21 VAL A 72 19.480 25.950 10.647 1.00 3.35 H new ATOM 0 HG22 VAL A 72 20.392 27.388 10.129 1.00 3.35 H new ATOM 0 HG23 VAL A 72 18.931 27.573 11.129 1.00 3.35 H new ATOM 1166 N PHE A 73 18.429 28.440 6.217 1.00 5.39 N ATOM 1167 CA PHE A 73 17.816 28.491 4.856 1.00 6.90 C ATOM 1168 C PHE A 73 18.508 27.498 3.915 1.00 7.16 C ATOM 1169 O PHE A 73 19.471 27.843 3.258 1.00 14.07 O ATOM 1170 CB PHE A 73 18.002 29.885 4.257 1.00 6.44 C ATOM 1171 CG PHE A 73 17.073 30.868 4.917 1.00 9.57 C ATOM 1172 CD1 PHE A 73 17.460 31.512 6.095 1.00 3.78 C ATOM 1173 CD2 PHE A 73 15.827 31.143 4.343 1.00 12.42 C ATOM 1174 CE1 PHE A 73 16.597 32.431 6.702 1.00 6.98 C ATOM 1175 CE2 PHE A 73 14.964 32.060 4.950 1.00 11.45 C ATOM 1176 CZ PHE A 73 15.349 32.704 6.130 1.00 7.54 C ATOM 0 H PHE A 73 19.433 28.261 6.227 1.00 5.39 H new ATOM 0 HA PHE A 73 16.759 28.244 4.957 1.00 6.90 H new ATOM 0 HB2 PHE A 73 19.035 30.208 4.386 1.00 6.44 H new ATOM 0 HB3 PHE A 73 17.809 29.856 3.185 1.00 6.44 H new ATOM 0 HD1 PHE A 73 18.423 31.301 6.536 1.00 3.78 H new ATOM 0 HD2 PHE A 73 15.532 30.647 3.430 1.00 12.42 H new ATOM 0 HE1 PHE A 73 16.894 32.930 7.613 1.00 6.98 H new ATOM 0 HE2 PHE A 73 14.001 32.271 4.508 1.00 11.45 H new ATOM 0 HZ PHE A 73 14.683 33.412 6.600 1.00 7.54 H new ATOM 1186 N ILE A 74 18.018 26.296 3.785 1.00 5.91 N ATOM 1187 CA ILE A 74 18.666 25.369 2.816 1.00 7.08 C ATOM 1188 C ILE A 74 18.286 25.882 1.432 1.00 8.52 C ATOM 1189 O ILE A 74 17.124 25.902 1.076 1.00 6.64 O ATOM 1190 CB ILE A 74 18.137 23.945 2.998 1.00 6.37 C ATOM 1191 CG1 ILE A 74 17.987 23.646 4.494 1.00 6.27 C ATOM 1192 CG2 ILE A 74 19.107 22.944 2.350 1.00 4.80 C ATOM 1193 CD1 ILE A 74 19.305 23.923 5.223 1.00 9.34 C ATOM 0 H ILE A 74 17.217 25.922 4.294 1.00 5.91 H new ATOM 0 HA ILE A 74 19.746 25.339 2.961 1.00 7.08 H new ATOM 0 HB ILE A 74 17.164 23.851 2.516 1.00 6.37 H new ATOM 0 HG12 ILE A 74 17.193 24.261 4.917 1.00 6.27 H new ATOM 0 HG13 ILE A 74 17.695 22.605 4.637 1.00 6.27 H new ATOM 0 HG21 ILE A 74 18.726 21.931 2.482 1.00 4.80 H new ATOM 0 HG22 ILE A 74 19.198 23.162 1.286 1.00 4.80 H new ATOM 0 HG23 ILE A 74 20.086 23.028 2.822 1.00 4.80 H new ATOM 0 HD11 ILE A 74 19.186 23.707 6.285 1.00 9.34 H new ATOM 0 HD12 ILE A 74 20.090 23.289 4.810 1.00 9.34 H new ATOM 0 HD13 ILE A 74 19.579 24.970 5.094 1.00 9.34 H new ATOM 1205 N GLY A 75 19.225 26.356 0.665 1.00 9.27 N ATOM 1206 CA GLY A 75 18.844 26.921 -0.654 1.00 9.68 C ATOM 1207 C GLY A 75 17.856 28.057 -0.375 1.00 12.42 C ATOM 1208 O GLY A 75 17.959 28.734 0.628 1.00 11.15 O ATOM 0 H GLY A 75 20.220 26.377 0.888 1.00 9.27 H new ATOM 0 HA2 GLY A 75 19.721 27.292 -1.184 1.00 9.68 H new ATOM 0 HA3 GLY A 75 18.389 26.158 -1.285 1.00 9.68 H new ATOM 1212 N LYS A 76 16.892 28.269 -1.223 1.00 14.40 N ATOM 1213 CA LYS A 76 15.909 29.359 -0.951 1.00 16.68 C ATOM 1214 C LYS A 76 14.765 28.813 -0.088 1.00 16.27 C ATOM 1215 O LYS A 76 13.872 29.538 0.305 1.00 14.00 O ATOM 1216 CB LYS A 76 15.348 29.891 -2.273 1.00 23.46 C ATOM 1217 CG LYS A 76 16.469 30.575 -3.072 1.00 30.10 C ATOM 1218 CD LYS A 76 16.539 32.068 -2.712 1.00 38.66 C ATOM 1219 CE LYS A 76 15.571 32.858 -3.597 1.00 42.17 C ATOM 1220 NZ LYS A 76 15.496 34.268 -3.120 1.00 44.86 N ATOM 0 H LYS A 76 16.740 27.744 -2.084 1.00 14.40 H new ATOM 0 HA LYS A 76 16.407 30.171 -0.421 1.00 16.68 H new ATOM 0 HB2 LYS A 76 14.921 29.073 -2.854 1.00 23.46 H new ATOM 0 HB3 LYS A 76 14.542 30.599 -2.079 1.00 23.46 H new ATOM 0 HG2 LYS A 76 17.424 30.096 -2.857 1.00 30.10 H new ATOM 0 HG3 LYS A 76 16.288 30.459 -4.141 1.00 30.10 H new ATOM 0 HD2 LYS A 76 16.286 32.211 -1.662 1.00 38.66 H new ATOM 0 HD3 LYS A 76 17.555 32.438 -2.848 1.00 38.66 H new ATOM 0 HE2 LYS A 76 15.906 32.831 -4.634 1.00 42.17 H new ATOM 0 HE3 LYS A 76 14.582 32.401 -3.570 1.00 42.17 H new ATOM 0 HZ1 LYS A 76 14.838 34.804 -3.722 1.00 44.86 H new ATOM 0 HZ2 LYS A 76 15.157 34.284 -2.137 1.00 44.86 H new ATOM 0 HZ3 LYS A 76 16.440 34.701 -3.168 1.00 44.86 H new ATOM 1234 N ASP A 77 14.780 27.537 0.202 1.00 0.00 N ATOM 1235 CA ASP A 77 13.685 26.939 1.027 1.00 0.00 C ATOM 1236 C ASP A 77 14.006 27.062 2.521 1.00 0.00 C ATOM 1237 O ASP A 77 14.960 26.492 3.011 1.00 0.00 O ATOM 1238 CB ASP A 77 13.527 25.462 0.665 1.00 0.00 C ATOM 1239 CG ASP A 77 13.479 25.314 -0.856 1.00 0.00 C ATOM 1240 OD1 ASP A 77 12.759 26.073 -1.483 1.00 0.00 O ATOM 1241 OD2 ASP A 77 14.164 24.444 -1.369 1.00 0.00 O ATOM 0 H ASP A 77 15.503 26.882 -0.097 1.00 0.00 H new ATOM 0 HA ASP A 77 12.759 27.476 0.821 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.358 24.886 1.071 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.615 25.063 1.109 1.00 0.00 H new ATOM 1246 N SER A 78 13.204 27.794 3.248 1.00 0.00 N ATOM 1247 CA SER A 78 13.443 27.950 4.713 1.00 0.00 C ATOM 1248 C SER A 78 13.014 26.673 5.448 1.00 0.00 C ATOM 1249 O SER A 78 12.035 26.047 5.092 1.00 0.00 O ATOM 1250 CB SER A 78 12.626 29.131 5.238 1.00 0.00 C ATOM 1251 OG SER A 78 13.040 29.436 6.563 1.00 0.00 O ATOM 0 H SER A 78 12.390 28.293 2.889 1.00 0.00 H new ATOM 0 HA SER A 78 14.504 28.129 4.886 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.764 29.999 4.593 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.563 28.888 5.223 1.00 0.00 H new ATOM 0 HG SER A 78 12.519 30.194 6.902 1.00 0.00 H new ATOM 1257 N ILE A 79 13.725 26.292 6.484 1.00 14.84 N ATOM 1258 CA ILE A 79 13.340 25.066 7.255 1.00 16.24 C ATOM 1259 C ILE A 79 12.895 25.471 8.661 1.00 13.64 C ATOM 1260 O ILE A 79 12.223 24.724 9.344 1.00 15.36 O ATOM 1261 CB ILE A 79 14.527 24.100 7.362 1.00 18.04 C ATOM 1262 CG1 ILE A 79 15.772 24.831 7.915 1.00 18.59 C ATOM 1263 CG2 ILE A 79 14.833 23.521 5.979 1.00 15.93 C ATOM 1264 CD1 ILE A 79 15.849 24.706 9.448 1.00 20.45 C ATOM 0 H ILE A 79 14.554 26.776 6.828 1.00 14.84 H new ATOM 0 HA ILE A 79 12.525 24.566 6.732 1.00 16.24 H new ATOM 0 HB ILE A 79 14.269 23.293 8.048 1.00 18.04 H new ATOM 0 HG12 ILE A 79 16.673 24.412 7.467 1.00 18.59 H new ATOM 0 HG13 ILE A 79 15.735 25.883 7.634 1.00 18.59 H new ATOM 0 HG21 ILE A 79 15.676 22.834 6.051 1.00 15.93 H new ATOM 0 HG22 ILE A 79 13.959 22.986 5.607 1.00 15.93 H new ATOM 0 HG23 ILE A 79 15.082 24.330 5.293 1.00 15.93 H new ATOM 0 HD11 ILE A 79 16.734 25.229 9.812 1.00 20.45 H new ATOM 0 HD12 ILE A 79 14.958 25.147 9.894 1.00 20.45 H new ATOM 0 HD13 ILE A 79 15.910 23.653 9.725 1.00 20.45 H new ATOM 1276 N GLY A 80 13.255 26.653 9.096 1.00 12.42 N ATOM 1277 CA GLY A 80 12.841 27.113 10.458 1.00 13.73 C ATOM 1278 C GLY A 80 14.070 27.532 11.268 1.00 12.94 C ATOM 1279 O GLY A 80 15.112 27.839 10.723 1.00 13.82 O ATOM 0 H GLY A 80 13.818 27.319 8.567 1.00 12.42 H new ATOM 0 HA2 GLY A 80 12.149 27.951 10.373 1.00 13.73 H new ATOM 0 HA3 GLY A 80 12.311 26.313 10.975 1.00 13.73 H new ATOM 1283 N GLY A 81 13.949 27.557 12.571 1.00 12.24 N ATOM 1284 CA GLY A 81 15.099 27.970 13.429 1.00 10.24 C ATOM 1285 C GLY A 81 15.918 26.751 13.857 1.00 11.98 C ATOM 1286 O GLY A 81 16.103 25.815 13.105 1.00 12.42 O ATOM 0 H GLY A 81 13.100 27.308 13.079 1.00 12.24 H new ATOM 0 HA2 GLY A 81 15.734 28.668 12.884 1.00 10.24 H new ATOM 0 HA3 GLY A 81 14.732 28.495 14.310 1.00 10.24 H new ATOM 1290 N SER A 82 16.424 26.769 15.060 1.00 0.00 N ATOM 1291 CA SER A 82 17.251 25.629 15.547 1.00 0.00 C ATOM 1292 C SER A 82 16.375 24.406 15.797 1.00 0.00 C ATOM 1293 O SER A 82 16.536 23.374 15.177 1.00 0.00 O ATOM 1294 CB SER A 82 17.940 26.023 16.850 1.00 0.00 C ATOM 1295 OG SER A 82 18.196 24.855 17.617 1.00 0.00 O ATOM 0 H SER A 82 16.299 27.528 15.730 1.00 0.00 H new ATOM 0 HA SER A 82 17.995 25.386 14.788 1.00 0.00 H new ATOM 0 HB2 SER A 82 18.873 26.545 16.638 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.311 26.712 17.414 1.00 0.00 H new ATOM 0 HG SER A 82 18.640 25.104 18.454 1.00 0.00 H new ATOM 1301 N SER A 83 15.457 24.510 16.709 1.00 0.00 N ATOM 1302 CA SER A 83 14.575 23.348 17.011 1.00 0.00 C ATOM 1303 C SER A 83 13.980 22.818 15.709 1.00 0.00 C ATOM 1304 O SER A 83 13.620 21.663 15.598 1.00 0.00 O ATOM 1305 CB SER A 83 13.451 23.790 17.949 1.00 0.00 C ATOM 1306 OG SER A 83 12.401 22.834 17.906 1.00 0.00 O ATOM 0 H SER A 83 15.276 25.348 17.261 1.00 0.00 H new ATOM 0 HA SER A 83 15.156 22.561 17.493 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.828 23.887 18.967 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.078 24.770 17.652 1.00 0.00 H new ATOM 0 HG SER A 83 11.679 23.113 18.507 1.00 0.00 H new ATOM 1312 N ASP A 84 13.884 23.654 14.720 1.00 12.98 N ATOM 1313 CA ASP A 84 13.327 23.204 13.416 1.00 14.53 C ATOM 1314 C ASP A 84 14.381 22.374 12.677 1.00 11.28 C ATOM 1315 O ASP A 84 14.097 21.322 12.141 1.00 12.09 O ATOM 1316 CB ASP A 84 12.946 24.426 12.580 1.00 17.72 C ATOM 1317 CG ASP A 84 12.181 25.421 13.455 1.00 19.35 C ATOM 1318 OD1 ASP A 84 12.799 26.013 14.324 1.00 21.94 O ATOM 1319 OD2 ASP A 84 10.989 25.571 13.242 1.00 27.06 O ATOM 0 H ASP A 84 14.167 24.633 14.756 1.00 12.98 H new ATOM 0 HA ASP A 84 12.440 22.593 13.583 1.00 14.53 H new ATOM 0 HB2 ASP A 84 13.842 24.896 12.173 1.00 17.72 H new ATOM 0 HB3 ASP A 84 12.332 24.123 11.732 1.00 17.72 H new ATOM 1324 N LEU A 85 15.597 22.847 12.648 1.00 11.34 N ATOM 1325 CA LEU A 85 16.687 22.100 11.950 1.00 11.04 C ATOM 1326 C LEU A 85 16.775 20.675 12.501 1.00 12.09 C ATOM 1327 O LEU A 85 16.666 19.707 11.777 1.00 11.43 O ATOM 1328 CB LEU A 85 18.021 22.819 12.198 1.00 9.45 C ATOM 1329 CG LEU A 85 19.052 22.415 11.133 1.00 11.01 C ATOM 1330 CD1 LEU A 85 20.368 23.155 11.388 1.00 12.34 C ATOM 1331 CD2 LEU A 85 19.310 20.906 11.203 1.00 15.31 C ATOM 0 H LEU A 85 15.886 23.725 13.080 1.00 11.34 H new ATOM 0 HA LEU A 85 16.474 22.060 10.882 1.00 11.04 H new ATOM 0 HB2 LEU A 85 17.870 23.898 12.176 1.00 9.45 H new ATOM 0 HB3 LEU A 85 18.397 22.570 13.190 1.00 9.45 H new ATOM 0 HG LEU A 85 18.664 22.674 10.148 1.00 11.01 H new ATOM 0 HD11 LEU A 85 21.099 22.868 10.632 1.00 12.34 H new ATOM 0 HD12 LEU A 85 20.197 24.230 11.337 1.00 12.34 H new ATOM 0 HD13 LEU A 85 20.746 22.894 12.376 1.00 12.34 H new ATOM 0 HD21 LEU A 85 20.042 20.626 10.445 1.00 15.31 H new ATOM 0 HD22 LEU A 85 19.693 20.648 12.190 1.00 15.31 H new ATOM 0 HD23 LEU A 85 18.379 20.369 11.023 1.00 15.31 H new ATOM 1343 N VAL A 86 16.996 20.548 13.776 1.00 0.00 N ATOM 1344 CA VAL A 86 17.128 19.194 14.391 1.00 0.00 C ATOM 1345 C VAL A 86 15.940 18.306 14.021 1.00 0.00 C ATOM 1346 O VAL A 86 16.115 17.201 13.554 1.00 0.00 O ATOM 1347 CB VAL A 86 17.203 19.324 15.922 1.00 0.00 C ATOM 1348 CG1 VAL A 86 18.644 19.151 16.386 1.00 0.00 C ATOM 1349 CG2 VAL A 86 16.702 20.705 16.353 1.00 0.00 C ATOM 0 H VAL A 86 17.092 21.328 14.427 1.00 0.00 H new ATOM 0 HA VAL A 86 18.040 18.735 14.010 1.00 0.00 H new ATOM 0 HB VAL A 86 16.578 18.552 16.371 1.00 0.00 H new ATOM 0 HG11 VAL A 86 18.691 19.244 17.471 1.00 0.00 H new ATOM 0 HG12 VAL A 86 19.006 18.166 16.090 1.00 0.00 H new ATOM 0 HG13 VAL A 86 19.268 19.919 15.929 1.00 0.00 H new ATOM 0 HG21 VAL A 86 16.758 20.790 17.438 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.322 21.476 15.896 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.668 20.834 16.032 1.00 0.00 H new ATOM 1359 N SER A 87 14.741 18.763 14.232 1.00 14.12 N ATOM 1360 CA SER A 87 13.563 17.911 13.901 1.00 14.37 C ATOM 1361 C SER A 87 13.775 17.268 12.528 1.00 13.29 C ATOM 1362 O SER A 87 13.434 16.125 12.301 1.00 11.18 O ATOM 1363 CB SER A 87 12.302 18.779 13.875 1.00 13.30 C ATOM 1364 OG SER A 87 11.156 17.950 14.017 1.00 21.79 O ATOM 0 H SER A 87 14.523 19.682 14.616 1.00 14.12 H new ATOM 0 HA SER A 87 13.449 17.130 14.653 1.00 14.37 H new ATOM 0 HB2 SER A 87 12.336 19.513 14.680 1.00 13.30 H new ATOM 0 HB3 SER A 87 12.249 19.335 12.939 1.00 13.30 H new ATOM 0 HG SER A 87 10.348 18.504 14.002 1.00 21.79 H new ATOM 1370 N LEU A 88 14.330 18.006 11.614 1.00 0.00 N ATOM 1371 CA LEU A 88 14.572 17.469 10.247 1.00 0.00 C ATOM 1372 C LEU A 88 15.846 16.609 10.193 1.00 0.00 C ATOM 1373 O LEU A 88 15.884 15.588 9.536 1.00 0.00 O ATOM 1374 CB LEU A 88 14.704 18.644 9.286 1.00 0.00 C ATOM 1375 CG LEU A 88 13.501 19.575 9.464 1.00 0.00 C ATOM 1376 CD1 LEU A 88 13.733 20.860 8.676 1.00 0.00 C ATOM 1377 CD2 LEU A 88 12.230 18.883 8.960 1.00 0.00 C ATOM 0 H LEU A 88 14.631 18.970 11.755 1.00 0.00 H new ATOM 0 HA LEU A 88 13.734 16.831 9.966 1.00 0.00 H new ATOM 0 HB2 LEU A 88 15.630 19.185 9.479 1.00 0.00 H new ATOM 0 HB3 LEU A 88 14.753 18.285 8.258 1.00 0.00 H new ATOM 0 HG LEU A 88 13.382 19.813 10.521 1.00 0.00 H new ATOM 0 HD11 LEU A 88 12.877 21.523 8.802 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.633 21.354 9.043 1.00 0.00 H new ATOM 0 HD13 LEU A 88 13.855 20.622 7.619 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.377 19.550 9.089 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.343 18.639 7.904 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.064 17.968 9.528 1.00 0.00 H new ATOM 1389 N GLN A 89 16.901 17.029 10.842 1.00 0.00 N ATOM 1390 CA GLN A 89 18.176 16.247 10.779 1.00 0.00 C ATOM 1391 C GLN A 89 17.959 14.827 11.315 1.00 0.00 C ATOM 1392 O GLN A 89 18.238 13.855 10.641 1.00 0.00 O ATOM 1393 CB GLN A 89 19.251 16.951 11.618 1.00 0.00 C ATOM 1394 CG GLN A 89 20.647 16.541 11.129 1.00 0.00 C ATOM 1395 CD GLN A 89 20.762 15.015 11.089 1.00 0.00 C ATOM 1396 OE1 GLN A 89 20.710 14.364 12.112 1.00 0.00 O ATOM 1397 NE2 GLN A 89 20.920 14.414 9.940 1.00 0.00 N ATOM 0 H GLN A 89 16.937 17.875 11.411 1.00 0.00 H new ATOM 0 HA GLN A 89 18.500 16.186 9.740 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.133 18.032 11.543 1.00 0.00 H new ATOM 0 HB3 GLN A 89 19.133 16.689 12.670 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.829 16.954 10.137 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.409 16.954 11.791 1.00 0.00 H new ATOM 0 HE21 GLN A 89 20.964 14.961 9.080 1.00 0.00 H new ATOM 0 HE22 GLN A 89 21.000 13.398 9.903 1.00 0.00 H new ATOM 1406 N GLN A 90 17.476 14.692 12.519 1.00 0.00 N ATOM 1407 CA GLN A 90 17.265 13.323 13.078 1.00 0.00 C ATOM 1408 C GLN A 90 16.246 12.576 12.222 1.00 0.00 C ATOM 1409 O GLN A 90 16.239 11.363 12.160 1.00 0.00 O ATOM 1410 CB GLN A 90 16.778 13.395 14.538 1.00 0.00 C ATOM 1411 CG GLN A 90 16.439 14.837 14.920 1.00 0.00 C ATOM 1412 CD GLN A 90 16.006 14.887 16.385 1.00 0.00 C ATOM 1413 OE1 GLN A 90 14.830 14.841 16.686 1.00 0.00 O ATOM 1414 NE2 GLN A 90 16.915 14.982 17.316 1.00 0.00 N ATOM 0 H GLN A 90 17.220 15.462 13.137 1.00 0.00 H new ATOM 0 HA GLN A 90 18.215 12.789 13.064 1.00 0.00 H new ATOM 0 HB2 GLN A 90 15.899 12.763 14.666 1.00 0.00 H new ATOM 0 HB3 GLN A 90 17.549 13.008 15.204 1.00 0.00 H new ATOM 0 HG2 GLN A 90 17.306 15.479 14.764 1.00 0.00 H new ATOM 0 HG3 GLN A 90 15.642 15.216 14.281 1.00 0.00 H new ATOM 0 HE21 GLN A 90 17.902 15.021 17.063 1.00 0.00 H new ATOM 0 HE22 GLN A 90 16.638 15.018 18.297 1.00 0.00 H new ATOM 1423 N SER A 91 15.395 13.291 11.557 1.00 0.00 N ATOM 1424 CA SER A 91 14.380 12.628 10.693 1.00 0.00 C ATOM 1425 C SER A 91 15.046 12.188 9.390 1.00 0.00 C ATOM 1426 O SER A 91 15.115 11.015 9.080 1.00 0.00 O ATOM 1427 CB SER A 91 13.247 13.607 10.390 1.00 0.00 C ATOM 1428 OG SER A 91 12.406 13.718 11.531 1.00 0.00 O ATOM 0 H SER A 91 15.354 14.310 11.571 1.00 0.00 H new ATOM 0 HA SER A 91 13.970 11.758 11.206 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.655 14.583 10.128 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.671 13.261 9.532 1.00 0.00 H new ATOM 0 HG SER A 91 12.602 14.555 12.002 1.00 0.00 H new ATOM 1434 N GLY A 92 15.546 13.124 8.631 1.00 19.34 N ATOM 1435 CA GLY A 92 16.226 12.776 7.343 1.00 19.37 C ATOM 1436 C GLY A 92 15.697 13.661 6.214 1.00 22.29 C ATOM 1437 O GLY A 92 16.230 13.671 5.122 1.00 25.64 O ATOM 0 H GLY A 92 15.515 14.121 8.845 1.00 19.34 H new ATOM 0 HA2 GLY A 92 17.303 12.908 7.444 1.00 19.37 H new ATOM 0 HA3 GLY A 92 16.054 11.727 7.104 1.00 19.37 H new ATOM 1441 N GLU A 93 14.662 14.409 6.464 1.00 22.54 N ATOM 1442 CA GLU A 93 14.116 15.295 5.406 1.00 24.53 C ATOM 1443 C GLU A 93 15.126 16.414 5.153 1.00 23.48 C ATOM 1444 O GLU A 93 15.174 17.009 4.095 1.00 22.85 O ATOM 1445 CB GLU A 93 12.789 15.887 5.883 1.00 27.50 C ATOM 1446 CG GLU A 93 12.120 16.644 4.739 1.00 36.43 C ATOM 1447 CD GLU A 93 11.615 15.650 3.691 1.00 44.30 C ATOM 1448 OE1 GLU A 93 10.881 14.749 4.063 1.00 42.86 O ATOM 1449 OE2 GLU A 93 11.971 15.806 2.534 1.00 50.26 O ATOM 0 H GLU A 93 14.171 14.444 7.357 1.00 22.54 H new ATOM 0 HA GLU A 93 13.944 14.736 4.486 1.00 24.53 H new ATOM 0 HB2 GLU A 93 12.133 15.093 6.239 1.00 27.50 H new ATOM 0 HB3 GLU A 93 12.961 16.559 6.724 1.00 27.50 H new ATOM 0 HG2 GLU A 93 11.290 17.239 5.120 1.00 36.43 H new ATOM 0 HG3 GLU A 93 12.828 17.338 4.285 1.00 36.43 H new ATOM 1456 N LEU A 94 15.938 16.696 6.134 1.00 24.17 N ATOM 1457 CA LEU A 94 16.967 17.765 5.994 1.00 22.19 C ATOM 1458 C LEU A 94 17.943 17.422 4.875 1.00 22.62 C ATOM 1459 O LEU A 94 18.005 18.088 3.862 1.00 21.76 O ATOM 1460 CB LEU A 94 17.747 17.872 7.295 1.00 23.15 C ATOM 1461 CG LEU A 94 18.651 19.109 7.259 1.00 23.80 C ATOM 1462 CD1 LEU A 94 17.815 20.390 7.395 1.00 18.74 C ATOM 1463 CD2 LEU A 94 19.653 19.021 8.408 1.00 21.18 C ATOM 0 H LEU A 94 15.932 16.225 7.039 1.00 24.17 H new ATOM 0 HA LEU A 94 16.468 18.706 5.762 1.00 22.19 H new ATOM 0 HB2 LEU A 94 17.059 17.938 8.138 1.00 23.15 H new ATOM 0 HB3 LEU A 94 18.348 16.975 7.444 1.00 23.15 H new ATOM 0 HG LEU A 94 19.178 19.143 6.306 1.00 23.80 H new ATOM 0 HD11 LEU A 94 18.473 21.259 7.367 1.00 18.74 H new ATOM 0 HD12 LEU A 94 17.102 20.448 6.572 1.00 18.74 H new ATOM 0 HD13 LEU A 94 17.275 20.374 8.342 1.00 18.74 H new ATOM 0 HD21 LEU A 94 20.302 19.896 8.393 1.00 21.18 H new ATOM 0 HD22 LEU A 94 19.117 18.984 9.356 1.00 21.18 H new ATOM 0 HD23 LEU A 94 20.256 18.120 8.296 1.00 21.18 H new ATOM 1475 N LEU A 95 18.725 16.394 5.068 1.00 0.00 N ATOM 1476 CA LEU A 95 19.723 16.017 4.034 1.00 0.00 C ATOM 1477 C LEU A 95 19.016 15.904 2.695 1.00 0.00 C ATOM 1478 O LEU A 95 19.583 16.152 1.649 1.00 0.00 O ATOM 1479 CB LEU A 95 20.387 14.688 4.433 1.00 0.00 C ATOM 1480 CG LEU A 95 19.630 13.473 3.869 1.00 0.00 C ATOM 1481 CD1 LEU A 95 20.220 13.067 2.511 1.00 0.00 C ATOM 1482 CD2 LEU A 95 19.777 12.304 4.841 1.00 0.00 C ATOM 0 H LEU A 95 18.714 15.801 5.898 1.00 0.00 H new ATOM 0 HA LEU A 95 20.503 16.774 3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.415 14.674 4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.430 14.616 5.520 1.00 0.00 H new ATOM 0 HG LEU A 95 18.579 13.732 3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 95 19.677 12.206 2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 95 20.131 13.899 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.271 12.807 2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 95 19.244 11.437 4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 95 20.833 12.059 4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 95 19.360 12.581 5.809 1.00 0.00 H new ATOM 1494 N THR A 96 17.768 15.564 2.727 1.00 15.75 N ATOM 1495 CA THR A 96 17.002 15.473 1.458 1.00 17.89 C ATOM 1496 C THR A 96 16.912 16.875 0.857 1.00 14.96 C ATOM 1497 O THR A 96 17.208 17.085 -0.300 1.00 17.84 O ATOM 1498 CB THR A 96 15.595 14.923 1.727 1.00 19.42 C ATOM 1499 OG1 THR A 96 15.618 13.508 1.617 1.00 21.98 O ATOM 1500 CG2 THR A 96 14.597 15.495 0.712 1.00 28.03 C ATOM 0 H THR A 96 17.242 15.345 3.573 1.00 15.75 H new ATOM 0 HA THR A 96 17.503 14.797 0.765 1.00 17.89 H new ATOM 0 HB THR A 96 15.285 15.214 2.730 1.00 19.42 H new ATOM 0 HG1 THR A 96 14.722 13.152 1.790 1.00 21.98 H new ATOM 0 HG21 THR A 96 13.603 15.096 0.915 1.00 28.03 H new ATOM 0 HG22 THR A 96 14.576 16.582 0.795 1.00 28.03 H new ATOM 0 HG23 THR A 96 14.902 15.214 -0.296 1.00 28.03 H new ATOM 1508 N ARG A 97 16.526 17.843 1.650 1.00 12.39 N ATOM 1509 CA ARG A 97 16.433 19.233 1.129 1.00 13.82 C ATOM 1510 C ARG A 97 17.800 19.617 0.568 1.00 14.98 C ATOM 1511 O ARG A 97 17.911 20.315 -0.420 1.00 16.48 O ATOM 1512 CB ARG A 97 16.054 20.183 2.276 1.00 18.70 C ATOM 1513 CG ARG A 97 14.528 20.228 2.437 1.00 27.27 C ATOM 1514 CD ARG A 97 13.904 21.097 1.330 1.00 36.05 C ATOM 1515 NE ARG A 97 13.294 22.331 1.930 1.00 38.76 N ATOM 1516 CZ ARG A 97 12.447 22.257 2.925 1.00 40.02 C ATOM 1517 NH1 ARG A 97 12.039 21.093 3.355 1.00 39.86 N ATOM 1518 NH2 ARG A 97 11.987 23.352 3.471 1.00 40.96 N ATOM 0 H ARG A 97 16.273 17.728 2.631 1.00 12.39 H new ATOM 0 HA ARG A 97 15.673 19.302 0.350 1.00 13.82 H new ATOM 0 HB2 ARG A 97 16.516 19.848 3.205 1.00 18.70 H new ATOM 0 HB3 ARG A 97 16.436 21.183 2.072 1.00 18.70 H new ATOM 0 HG2 ARG A 97 14.120 19.218 2.391 1.00 27.27 H new ATOM 0 HG3 ARG A 97 14.270 20.632 3.416 1.00 27.27 H new ATOM 0 HD2 ARG A 97 14.666 21.375 0.601 1.00 36.05 H new ATOM 0 HD3 ARG A 97 13.143 20.528 0.795 1.00 36.05 H new ATOM 0 HE ARG A 97 13.545 23.246 1.554 1.00 38.76 H new ATOM 0 HH11 ARG A 97 12.381 20.238 2.915 1.00 39.86 H new ATOM 0 HH12 ARG A 97 11.379 21.039 4.131 1.00 39.86 H new ATOM 0 HH21 ARG A 97 12.288 24.262 3.121 1.00 40.96 H new ATOM 0 HH22 ARG A 97 11.327 23.297 4.247 1.00 40.96 H new ATOM 1532 N LEU A 98 18.844 19.139 1.180 1.00 12.44 N ATOM 1533 CA LEU A 98 20.204 19.434 0.679 1.00 12.45 C ATOM 1534 C LEU A 98 20.434 18.629 -0.605 1.00 14.25 C ATOM 1535 O LEU A 98 21.057 19.086 -1.542 1.00 12.19 O ATOM 1536 CB LEU A 98 21.222 19.004 1.737 1.00 13.23 C ATOM 1537 CG LEU A 98 21.346 20.071 2.831 1.00 11.83 C ATOM 1538 CD1 LEU A 98 20.121 20.031 3.744 1.00 8.88 C ATOM 1539 CD2 LEU A 98 22.589 19.786 3.671 1.00 15.05 C ATOM 0 H LEU A 98 18.809 18.552 2.013 1.00 12.44 H new ATOM 0 HA LEU A 98 20.314 20.499 0.475 1.00 12.45 H new ATOM 0 HB2 LEU A 98 20.917 18.056 2.179 1.00 13.23 H new ATOM 0 HB3 LEU A 98 22.193 18.840 1.270 1.00 13.23 H new ATOM 0 HG LEU A 98 21.420 21.052 2.362 1.00 11.83 H new ATOM 0 HD11 LEU A 98 20.219 20.793 4.518 1.00 8.88 H new ATOM 0 HD12 LEU A 98 19.223 20.223 3.157 1.00 8.88 H new ATOM 0 HD13 LEU A 98 20.046 19.048 4.210 1.00 8.88 H new ATOM 0 HD21 LEU A 98 22.682 20.542 4.451 1.00 15.05 H new ATOM 0 HD22 LEU A 98 22.501 18.801 4.129 1.00 15.05 H new ATOM 0 HD23 LEU A 98 23.473 19.812 3.033 1.00 15.05 H new ATOM 1551 N LYS A 99 19.945 17.417 -0.629 1.00 0.00 N ATOM 1552 CA LYS A 99 20.132 16.536 -1.819 1.00 0.00 C ATOM 1553 C LYS A 99 19.422 17.102 -3.057 1.00 0.00 C ATOM 1554 O LYS A 99 20.020 17.244 -4.105 1.00 0.00 O ATOM 1555 CB LYS A 99 19.568 15.149 -1.504 1.00 0.00 C ATOM 1556 CG LYS A 99 20.071 14.144 -2.541 1.00 0.00 C ATOM 1557 CD LYS A 99 19.216 12.877 -2.479 1.00 0.00 C ATOM 1558 CE LYS A 99 19.691 11.886 -3.543 1.00 0.00 C ATOM 1559 NZ LYS A 99 21.035 11.361 -3.170 1.00 0.00 N ATOM 0 H LYS A 99 19.417 16.995 0.135 1.00 0.00 H new ATOM 0 HA LYS A 99 21.198 16.477 -2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 99 19.873 14.839 -0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.478 15.178 -1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 99 20.023 14.580 -3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 99 21.116 13.900 -2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.287 12.426 -1.489 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.167 13.125 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.980 11.064 -3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.737 12.375 -4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 21.248 10.516 -3.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 21.755 12.090 -3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 21.042 11.110 -2.161 1.00 0.00 H new ATOM 1573 N GLN A 100 18.150 17.396 -2.966 1.00 18.17 N ATOM 1574 CA GLN A 100 17.428 17.912 -4.165 1.00 18.02 C ATOM 1575 C GLN A 100 18.199 19.074 -4.806 1.00 18.05 C ATOM 1576 O GLN A 100 18.204 19.214 -6.014 1.00 19.19 O ATOM 1577 CB GLN A 100 16.004 18.354 -3.785 1.00 20.45 C ATOM 1578 CG GLN A 100 15.951 18.770 -2.312 1.00 29.25 C ATOM 1579 CD GLN A 100 14.828 19.788 -2.098 1.00 34.17 C ATOM 1580 OE1 GLN A 100 14.944 20.932 -2.491 1.00 34.86 O ATOM 1581 NE2 GLN A 100 13.737 19.416 -1.485 1.00 38.64 N ATOM 0 H GLN A 100 17.586 17.302 -2.122 1.00 18.17 H new ATOM 0 HA GLN A 100 17.358 17.106 -4.896 1.00 18.02 H new ATOM 0 HB2 GLN A 100 15.694 19.187 -4.416 1.00 20.45 H new ATOM 0 HB3 GLN A 100 15.303 17.539 -3.965 1.00 20.45 H new ATOM 0 HG2 GLN A 100 15.785 17.895 -1.684 1.00 29.25 H new ATOM 0 HG3 GLN A 100 16.906 19.201 -2.012 1.00 29.25 H new ATOM 0 HE21 GLN A 100 13.639 18.456 -1.155 1.00 38.64 H new ATOM 0 HE22 GLN A 100 12.982 20.086 -1.336 1.00 38.64 H new ATOM 1590 N ILE A 101 18.859 19.902 -4.034 1.00 0.00 N ATOM 1591 CA ILE A 101 19.624 21.026 -4.648 1.00 0.00 C ATOM 1592 C ILE A 101 21.103 20.639 -4.725 1.00 0.00 C ATOM 1593 O ILE A 101 21.880 21.245 -5.436 1.00 0.00 O ATOM 1594 CB ILE A 101 19.463 22.293 -3.808 1.00 0.00 C ATOM 1595 CG1 ILE A 101 19.970 22.045 -2.387 1.00 0.00 C ATOM 1596 CG2 ILE A 101 17.987 22.691 -3.760 1.00 0.00 C ATOM 1597 CD1 ILE A 101 19.738 23.297 -1.535 1.00 0.00 C ATOM 0 H ILE A 101 18.900 19.848 -3.016 1.00 0.00 H new ATOM 0 HA ILE A 101 19.241 21.221 -5.650 1.00 0.00 H new ATOM 0 HB ILE A 101 20.044 23.097 -4.260 1.00 0.00 H new ATOM 0 HG12 ILE A 101 19.451 21.193 -1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 101 21.031 21.797 -2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 101 17.873 23.594 -3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 101 17.628 22.879 -4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 101 17.407 21.884 -3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 101 20.099 23.120 -0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 101 20.277 24.139 -1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 101 18.672 23.525 -1.505 1.00 0.00 H new ATOM 1609 N GLY A 102 21.489 19.618 -4.008 1.00 11.15 N ATOM 1610 CA GLY A 102 22.910 19.164 -4.047 1.00 12.21 C ATOM 1611 C GLY A 102 23.778 20.037 -3.142 1.00 14.73 C ATOM 1612 O GLY A 102 24.863 20.441 -3.512 1.00 18.54 O ATOM 0 H GLY A 102 20.880 19.077 -3.395 1.00 11.15 H new ATOM 0 HA2 GLY A 102 22.974 18.124 -3.728 1.00 12.21 H new ATOM 0 HA3 GLY A 102 23.283 19.207 -5.070 1.00 12.21 H new ATOM 1616 N ALA A 103 23.319 20.329 -1.961 1.00 10.84 N ATOM 1617 CA ALA A 103 24.132 21.173 -1.037 1.00 9.88 C ATOM 1618 C ALA A 103 25.110 20.293 -0.253 1.00 9.21 C ATOM 1619 O ALA A 103 25.994 20.782 0.422 1.00 7.47 O ATOM 1620 CB ALA A 103 23.210 21.901 -0.061 1.00 4.30 C ATOM 0 H ALA A 103 22.419 20.022 -1.593 1.00 10.84 H new ATOM 0 HA ALA A 103 24.693 21.902 -1.622 1.00 9.88 H new ATOM 0 HB1 ALA A 103 23.806 22.517 0.613 1.00 4.30 H new ATOM 0 HB2 ALA A 103 22.520 22.535 -0.617 1.00 4.30 H new ATOM 0 HB3 ALA A 103 22.645 21.171 0.519 1.00 4.30 H new ATOM 1626 N LEU A 104 24.955 18.999 -0.332 1.00 0.00 N ATOM 1627 CA LEU A 104 25.873 18.086 0.410 1.00 0.00 C ATOM 1628 C LEU A 104 26.998 17.618 -0.516 1.00 0.00 C ATOM 1629 O LEU A 104 27.084 18.020 -1.660 1.00 0.00 O ATOM 1630 CB LEU A 104 25.085 16.878 0.939 1.00 0.00 C ATOM 1631 CG LEU A 104 24.810 15.861 -0.179 1.00 0.00 C ATOM 1632 CD1 LEU A 104 23.872 14.775 0.350 1.00 0.00 C ATOM 1633 CD2 LEU A 104 24.145 16.550 -1.373 1.00 0.00 C ATOM 0 H LEU A 104 24.231 18.533 -0.879 1.00 0.00 H new ATOM 0 HA LEU A 104 26.310 18.620 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 104 25.646 16.398 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 104 24.141 17.215 1.367 1.00 0.00 H new ATOM 0 HG LEU A 104 25.756 15.423 -0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 104 23.673 14.050 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 104 24.339 14.271 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 104 22.934 15.229 0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 104 23.956 15.817 -2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 104 23.201 16.995 -1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 104 24.803 17.330 -1.756 1.00 0.00 H new ATOM 1645 N GLN A 105 27.862 16.771 -0.030 1.00 0.00 N ATOM 1646 CA GLN A 105 28.984 16.277 -0.879 1.00 0.00 C ATOM 1647 C GLN A 105 28.470 15.184 -1.820 1.00 0.00 C ATOM 1648 O GLN A 105 28.796 15.239 -2.994 1.00 0.00 O ATOM 1649 CB GLN A 105 30.084 15.704 0.019 1.00 0.00 C ATOM 1650 CG GLN A 105 30.920 16.846 0.606 1.00 0.00 C ATOM 1651 CD GLN A 105 31.892 17.373 -0.452 1.00 0.00 C ATOM 1652 OE1 GLN A 105 32.675 18.263 -0.184 1.00 0.00 O ATOM 1653 NE2 GLN A 105 31.875 16.861 -1.652 1.00 0.00 N ATOM 1654 OXT GLN A 105 27.761 14.309 -1.350 1.00 0.00 O ATOM 0 H GLN A 105 27.840 16.399 0.919 1.00 0.00 H new ATOM 0 HA GLN A 105 29.387 17.101 -1.468 1.00 0.00 H new ATOM 0 HB2 GLN A 105 29.641 15.115 0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 105 30.722 15.032 -0.555 1.00 0.00 H new ATOM 0 HG2 GLN A 105 30.267 17.650 0.946 1.00 0.00 H new ATOM 0 HG3 GLN A 105 31.472 16.494 1.477 1.00 0.00 H new ATOM 0 HE21 GLN A 105 31.218 16.114 -1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 105 32.518 17.208 -2.364 1.00 0.00 H new