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 53 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 54 ASN :FLIP amide:sc= -0.565 F(o=-3.7!,f=-0.56) USER MOD Set 2.1: A 6 ASN : amide:sc= 0.0656 K(o=0.17,f=-4.3!) USER MOD Set 2.2: A 59 TYR OH : rot -43:sc= 0.105 USER MOD Single : A 7 SER OG : rot 75:sc= 1.01 USER MOD Single : A 8 LYS NZ :NH3+ -158:sc= -0.125 (180deg=-1.15) USER MOD Single : A 10 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 159:sc= -0.107 (180deg=-0.907) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 12:sc= 0.459 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 150:sc= -2.17! USER MOD Single : A 29 GLN : amide:sc= -1.12 K(o=-1.1,f=-4.6!) USER MOD Single : A 33 SER OG : rot 62:sc= 0.82 USER MOD Single : A 34 GLN :FLIP amide:sc= -2.62! C(o=-5.6!,f=-2.6!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.175 X(o=-0.17,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -40:sc= 0.319 USER MOD Single : A 51 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.55) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.429 F(o=-1.1,f=-0.43) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 61 GLN :FLIP amide:sc= -11.2! C(o=-16!,f=-11!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 64 THR OG1 : rot 130:sc= -0.619! USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -120: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 97:sc= 1.23 USER MOD Single : A 89 GLN : amide:sc= -4.65! C(o=-4.6!,f=-7.9!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 131:sc= 1.15 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -155:sc= -0.161 (180deg=-0.893) USER MOD Single : A 100 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.1!) USER MOD Single : A 105 GLN :FLIP amide:sc= -0.109 F(o=-2.5!,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 17.733 43.385 0.413 1.00 0.00 N ATOM 31 CA GLU A 3 18.884 42.874 -0.385 1.00 0.00 C ATOM 32 C GLU A 3 19.903 42.235 0.557 1.00 0.00 C ATOM 33 O GLU A 3 20.830 41.574 0.134 1.00 0.00 O ATOM 34 CB GLU A 3 19.544 44.037 -1.134 1.00 0.00 C ATOM 35 CG GLU A 3 18.483 44.804 -1.925 1.00 0.00 C ATOM 36 CD GLU A 3 19.166 45.743 -2.922 1.00 0.00 C ATOM 37 OE1 GLU A 3 20.092 46.429 -2.521 1.00 0.00 O ATOM 38 OE2 GLU A 3 18.752 45.760 -4.069 1.00 0.00 O ATOM 0 HA GLU A 3 18.531 42.134 -1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 3 20.039 44.704 -0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 3 20.313 43.659 -1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 3 17.833 44.106 -2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 3 17.851 45.376 -1.246 1.00 0.00 H new ATOM 45 N PHE A 4 19.737 42.435 1.833 1.00 11.75 N ATOM 46 CA PHE A 4 20.688 41.854 2.815 1.00 10.29 C ATOM 47 C PHE A 4 20.644 40.323 2.768 1.00 10.97 C ATOM 48 O PHE A 4 21.586 39.677 2.359 1.00 7.53 O ATOM 49 CB PHE A 4 20.301 42.329 4.220 1.00 11.72 C ATOM 50 CG PHE A 4 21.224 43.435 4.674 1.00 16.98 C ATOM 51 CD1 PHE A 4 21.541 44.486 3.807 1.00 17.80 C ATOM 52 CD2 PHE A 4 21.761 43.404 5.966 1.00 12.51 C ATOM 53 CE1 PHE A 4 22.399 45.506 4.233 1.00 18.59 C ATOM 54 CE2 PHE A 4 22.617 44.423 6.392 1.00 19.72 C ATOM 55 CZ PHE A 4 22.936 45.476 5.527 1.00 20.03 C ATOM 0 H PHE A 4 18.977 42.980 2.240 1.00 11.75 H new ATOM 0 HA PHE A 4 21.698 42.181 2.568 1.00 10.29 H new ATOM 0 HB2 PHE A 4 19.270 42.684 4.220 1.00 11.72 H new ATOM 0 HB3 PHE A 4 20.351 41.495 4.920 1.00 11.72 H new ATOM 0 HD1 PHE A 4 21.124 44.510 2.811 1.00 17.80 H new ATOM 0 HD2 PHE A 4 21.514 42.592 6.634 1.00 12.51 H new ATOM 0 HE1 PHE A 4 22.647 46.317 3.564 1.00 18.59 H new ATOM 0 HE2 PHE A 4 23.032 44.398 7.389 1.00 19.72 H new ATOM 0 HZ PHE A 4 23.596 46.265 5.857 1.00 20.03 H new ATOM 65 N VAL A 5 19.567 39.741 3.212 1.00 10.96 N ATOM 66 CA VAL A 5 19.478 38.255 3.223 1.00 12.03 C ATOM 67 C VAL A 5 19.283 37.728 1.801 1.00 12.91 C ATOM 68 O VAL A 5 19.839 36.716 1.426 1.00 10.57 O ATOM 69 CB VAL A 5 18.299 37.825 4.105 1.00 12.04 C ATOM 70 CG1 VAL A 5 18.234 38.723 5.345 1.00 5.33 C ATOM 71 CG2 VAL A 5 16.987 37.952 3.324 1.00 9.23 C ATOM 0 H VAL A 5 18.745 40.229 3.568 1.00 10.96 H new ATOM 0 HA VAL A 5 20.404 37.842 3.624 1.00 12.03 H new ATOM 0 HB VAL A 5 18.441 36.787 4.406 1.00 12.04 H new ATOM 0 HG11 VAL A 5 17.396 38.418 5.972 1.00 5.33 H new ATOM 0 HG12 VAL A 5 19.162 38.632 5.910 1.00 5.33 H new ATOM 0 HG13 VAL A 5 18.098 39.760 5.037 1.00 5.33 H new ATOM 0 HG21 VAL A 5 16.155 37.645 3.958 1.00 9.23 H new ATOM 0 HG22 VAL A 5 16.845 38.988 3.017 1.00 9.23 H new ATOM 0 HG23 VAL A 5 17.026 37.314 2.441 1.00 9.23 H new ATOM 81 N ASN A 6 18.500 38.401 1.008 1.00 13.95 N ATOM 82 CA ASN A 6 18.276 37.927 -0.381 1.00 13.93 C ATOM 83 C ASN A 6 19.624 37.781 -1.088 1.00 14.98 C ATOM 84 O ASN A 6 19.838 36.861 -1.852 1.00 13.88 O ATOM 85 CB ASN A 6 17.402 38.938 -1.125 1.00 19.23 C ATOM 86 CG ASN A 6 15.946 38.776 -0.679 1.00 22.04 C ATOM 87 OD1 ASN A 6 15.682 38.411 0.449 1.00 28.33 O ATOM 88 ND2 ASN A 6 14.983 39.032 -1.523 1.00 26.59 N ATOM 0 H ASN A 6 18.007 39.257 1.262 1.00 13.95 H new ATOM 0 HA ASN A 6 17.772 36.960 -0.367 1.00 13.93 H new ATOM 0 HB2 ASN A 6 17.746 39.952 -0.921 1.00 19.23 H new ATOM 0 HB3 ASN A 6 17.484 38.784 -2.201 1.00 19.23 H new ATOM 0 HD21 ASN A 6 14.010 38.925 -1.235 1.00 26.59 H new ATOM 0 HD22 ASN A 6 15.203 39.339 -2.471 1.00 26.59 H new ATOM 95 N SER A 7 20.539 38.677 -0.833 1.00 0.00 N ATOM 96 CA SER A 7 21.874 38.579 -1.486 1.00 0.00 C ATOM 97 C SER A 7 22.685 37.460 -0.827 1.00 0.00 C ATOM 98 O SER A 7 23.722 37.062 -1.319 1.00 0.00 O ATOM 99 CB SER A 7 22.621 39.904 -1.325 1.00 0.00 C ATOM 100 OG SER A 7 21.870 40.944 -1.938 1.00 0.00 O ATOM 0 H SER A 7 20.420 39.470 -0.203 1.00 0.00 H new ATOM 0 HA SER A 7 21.742 38.360 -2.546 1.00 0.00 H new ATOM 0 HB2 SER A 7 22.772 40.123 -0.268 1.00 0.00 H new ATOM 0 HB3 SER A 7 23.609 39.836 -1.781 1.00 0.00 H new ATOM 0 HG SER A 7 21.098 41.165 -1.376 1.00 0.00 H new ATOM 106 N LYS A 8 22.231 36.961 0.292 1.00 13.50 N ATOM 107 CA LYS A 8 22.992 35.883 0.992 1.00 11.83 C ATOM 108 C LYS A 8 22.422 34.503 0.644 1.00 12.94 C ATOM 109 O LYS A 8 23.159 33.577 0.366 1.00 11.22 O ATOM 110 CB LYS A 8 22.900 36.109 2.502 1.00 13.35 C ATOM 111 CG LYS A 8 23.708 37.357 2.873 1.00 9.72 C ATOM 112 CD LYS A 8 23.511 37.683 4.358 1.00 17.72 C ATOM 113 CE LYS A 8 23.772 39.173 4.603 1.00 15.70 C ATOM 114 NZ LYS A 8 24.867 39.639 3.708 1.00 22.87 N ATOM 0 H LYS A 8 21.368 37.252 0.751 1.00 13.50 H new ATOM 0 HA LYS A 8 24.033 35.917 0.670 1.00 11.83 H new ATOM 0 HB2 LYS A 8 21.859 36.233 2.801 1.00 13.35 H new ATOM 0 HB3 LYS A 8 23.284 35.240 3.036 1.00 13.35 H new ATOM 0 HG2 LYS A 8 24.765 37.192 2.665 1.00 9.72 H new ATOM 0 HG3 LYS A 8 23.391 38.201 2.261 1.00 9.72 H new ATOM 0 HD2 LYS A 8 22.497 37.427 4.664 1.00 17.72 H new ATOM 0 HD3 LYS A 8 24.188 37.082 4.964 1.00 17.72 H new ATOM 0 HE2 LYS A 8 22.865 39.748 4.415 1.00 15.70 H new ATOM 0 HE3 LYS A 8 24.044 39.339 5.645 1.00 15.70 H new ATOM 0 HZ1 LYS A 8 25.297 40.499 4.105 1.00 22.87 H new ATOM 0 HZ2 LYS A 8 25.590 38.896 3.628 1.00 22.87 H new ATOM 0 HZ3 LYS A 8 24.480 39.849 2.766 1.00 22.87 H new ATOM 128 N ILE A 9 21.125 34.343 0.664 1.00 11.05 N ATOM 129 CA ILE A 9 20.542 33.007 0.341 1.00 13.61 C ATOM 130 C ILE A 9 20.535 32.791 -1.171 1.00 12.23 C ATOM 131 O ILE A 9 20.237 33.681 -1.943 1.00 12.72 O ATOM 132 CB ILE A 9 19.111 32.903 0.877 1.00 14.29 C ATOM 133 CG1 ILE A 9 18.293 34.100 0.387 1.00 20.74 C ATOM 134 CG2 ILE A 9 19.146 32.864 2.410 1.00 15.26 C ATOM 135 CD1 ILE A 9 17.232 34.477 1.427 1.00 25.19 C ATOM 0 H ILE A 9 20.449 35.073 0.888 1.00 11.05 H new ATOM 0 HA ILE A 9 21.155 32.240 0.815 1.00 13.61 H new ATOM 0 HB ILE A 9 18.643 31.989 0.512 1.00 14.29 H new ATOM 0 HG12 ILE A 9 18.951 34.949 0.204 1.00 20.74 H new ATOM 0 HG13 ILE A 9 17.813 33.858 -0.561 1.00 20.74 H new ATOM 0 HG21 ILE A 9 18.129 32.790 2.795 1.00 15.26 H new ATOM 0 HG22 ILE A 9 19.723 31.999 2.739 1.00 15.26 H new ATOM 0 HG23 ILE A 9 19.611 33.775 2.787 1.00 15.26 H new ATOM 0 HD11 ILE A 9 16.657 35.330 1.067 1.00 25.19 H new ATOM 0 HD12 ILE A 9 16.564 33.631 1.589 1.00 25.19 H new ATOM 0 HD13 ILE A 9 17.720 34.739 2.366 1.00 25.19 H new ATOM 147 N GLN A 10 20.865 31.604 -1.587 1.00 11.13 N ATOM 148 CA GLN A 10 20.896 31.275 -3.035 1.00 10.86 C ATOM 149 C GLN A 10 20.547 29.786 -3.190 1.00 10.00 C ATOM 150 O GLN A 10 21.041 28.975 -2.434 1.00 10.42 O ATOM 151 CB GLN A 10 22.315 31.537 -3.560 1.00 14.27 C ATOM 152 CG GLN A 10 22.366 31.383 -5.082 1.00 22.05 C ATOM 153 CD GLN A 10 23.812 31.542 -5.559 1.00 30.84 C ATOM 154 OE1 GLN A 10 24.711 31.995 -4.729 1.00 32.99 O flip ATOM 155 NE2 GLN A 10 24.126 31.252 -6.697 1.00 34.61 N flip ATOM 0 H GLN A 10 21.120 30.832 -0.971 1.00 11.13 H new ATOM 0 HA GLN A 10 20.184 31.882 -3.595 1.00 10.86 H new ATOM 0 HB2 GLN A 10 22.632 32.542 -3.280 1.00 14.27 H new ATOM 0 HB3 GLN A 10 23.014 30.842 -3.096 1.00 14.27 H new ATOM 0 HG2 GLN A 10 21.980 30.406 -5.373 1.00 22.05 H new ATOM 0 HG3 GLN A 10 21.730 32.131 -5.556 1.00 22.05 H new ATOM 0 HE21 GLN A 10 23.423 30.898 -7.346 1.00 34.61 H new ATOM 0 HE22 GLN A 10 25.093 31.363 -7.003 1.00 34.61 H new ATOM 164 N PRO A 11 19.717 29.447 -4.151 1.00 6.53 N ATOM 165 CA PRO A 11 19.336 28.043 -4.362 1.00 7.75 C ATOM 166 C PRO A 11 20.591 27.171 -4.417 1.00 6.33 C ATOM 167 O PRO A 11 21.546 27.478 -5.101 1.00 9.49 O ATOM 168 CB PRO A 11 18.580 28.035 -5.698 1.00 8.32 C ATOM 169 CG PRO A 11 18.345 29.515 -6.100 1.00 7.94 C ATOM 170 CD PRO A 11 19.099 30.399 -5.093 1.00 11.72 C ATOM 0 HA PRO A 11 18.717 27.643 -3.559 1.00 7.75 H new ATOM 0 HB2 PRO A 11 19.156 27.515 -6.463 1.00 8.32 H new ATOM 0 HB3 PRO A 11 17.631 27.507 -5.600 1.00 8.32 H new ATOM 0 HG2 PRO A 11 18.704 29.698 -7.113 1.00 7.94 H new ATOM 0 HG3 PRO A 11 17.280 29.749 -6.092 1.00 7.94 H new ATOM 0 HD2 PRO A 11 19.852 31.011 -5.589 1.00 11.72 H new ATOM 0 HD3 PRO A 11 18.422 31.081 -4.580 1.00 11.72 H new ATOM 178 N GLY A 12 20.597 26.095 -3.688 1.00 5.64 N ATOM 179 CA GLY A 12 21.790 25.211 -3.684 1.00 8.39 C ATOM 180 C GLY A 12 22.863 25.818 -2.779 1.00 7.67 C ATOM 181 O GLY A 12 24.032 25.505 -2.889 1.00 10.24 O ATOM 0 H GLY A 12 19.826 25.789 -3.094 1.00 5.64 H new ATOM 0 HA2 GLY A 12 21.519 24.216 -3.330 1.00 8.39 H new ATOM 0 HA3 GLY A 12 22.175 25.095 -4.697 1.00 8.39 H new ATOM 185 N LYS A 13 22.472 26.686 -1.884 1.00 9.66 N ATOM 186 CA LYS A 13 23.461 27.319 -0.965 1.00 10.29 C ATOM 187 C LYS A 13 22.870 27.370 0.444 1.00 10.20 C ATOM 188 O LYS A 13 21.737 27.761 0.641 1.00 6.89 O ATOM 189 CB LYS A 13 23.770 28.739 -1.441 1.00 9.77 C ATOM 190 CG LYS A 13 25.045 29.240 -0.759 1.00 10.63 C ATOM 191 CD LYS A 13 25.163 30.753 -0.948 1.00 12.04 C ATOM 192 CE LYS A 13 26.460 31.251 -0.307 1.00 19.12 C ATOM 193 NZ LYS A 13 27.615 30.492 -0.865 1.00 25.36 N ATOM 0 H LYS A 13 21.506 26.985 -1.750 1.00 9.66 H new ATOM 0 HA LYS A 13 24.382 26.735 -0.959 1.00 10.29 H new ATOM 0 HB2 LYS A 13 23.895 28.752 -2.524 1.00 9.77 H new ATOM 0 HB3 LYS A 13 22.936 29.401 -1.208 1.00 9.77 H new ATOM 0 HG2 LYS A 13 25.022 28.996 0.303 1.00 10.63 H new ATOM 0 HG3 LYS A 13 25.917 28.741 -1.182 1.00 10.63 H new ATOM 0 HD2 LYS A 13 25.153 30.999 -2.010 1.00 12.04 H new ATOM 0 HD3 LYS A 13 24.307 31.254 -0.496 1.00 12.04 H new ATOM 0 HE2 LYS A 13 26.586 32.317 -0.497 1.00 19.12 H new ATOM 0 HE3 LYS A 13 26.416 31.123 0.775 1.00 19.12 H new ATOM 0 HZ1 LYS A 13 28.490 31.036 -0.722 1.00 25.36 H new ATOM 0 HZ2 LYS A 13 27.694 29.575 -0.381 1.00 25.36 H new ATOM 0 HZ3 LYS A 13 27.468 30.335 -1.882 1.00 25.36 H new ATOM 207 N VAL A 14 23.629 26.974 1.430 1.00 10.89 N ATOM 208 CA VAL A 14 23.114 26.992 2.824 1.00 9.99 C ATOM 209 C VAL A 14 23.661 28.214 3.561 1.00 5.01 C ATOM 210 O VAL A 14 24.830 28.534 3.479 1.00 6.68 O ATOM 211 CB VAL A 14 23.556 25.717 3.548 1.00 7.84 C ATOM 212 CG1 VAL A 14 23.012 25.724 4.979 1.00 9.33 C ATOM 213 CG2 VAL A 14 23.010 24.497 2.803 1.00 5.86 C ATOM 0 H VAL A 14 24.587 26.638 1.327 1.00 10.89 H new ATOM 0 HA VAL A 14 22.025 27.041 2.805 1.00 9.99 H new ATOM 0 HB VAL A 14 24.645 25.674 3.575 1.00 7.84 H new ATOM 0 HG11 VAL A 14 23.328 24.816 5.493 1.00 9.33 H new ATOM 0 HG12 VAL A 14 23.397 26.594 5.511 1.00 9.33 H new ATOM 0 HG13 VAL A 14 21.923 25.767 4.954 1.00 9.33 H new ATOM 0 HG21 VAL A 14 23.323 23.587 3.316 1.00 5.86 H new ATOM 0 HG22 VAL A 14 21.921 24.543 2.778 1.00 5.86 H new ATOM 0 HG23 VAL A 14 23.396 24.490 1.784 1.00 5.86 H new ATOM 223 N VAL A 15 22.818 28.895 4.285 1.00 3.11 N ATOM 224 CA VAL A 15 23.268 30.097 5.041 1.00 10.10 C ATOM 225 C VAL A 15 22.514 30.136 6.374 1.00 9.35 C ATOM 226 O VAL A 15 21.361 29.761 6.452 1.00 11.00 O ATOM 227 CB VAL A 15 22.997 31.359 4.202 1.00 10.15 C ATOM 228 CG1 VAL A 15 21.824 32.159 4.783 1.00 15.82 C ATOM 229 CG2 VAL A 15 24.251 32.239 4.195 1.00 10.96 C ATOM 0 H VAL A 15 21.829 28.669 4.386 1.00 3.11 H new ATOM 0 HA VAL A 15 24.338 30.055 5.242 1.00 10.10 H new ATOM 0 HB VAL A 15 22.743 31.054 3.187 1.00 10.15 H new ATOM 0 HG11 VAL A 15 21.651 33.046 4.174 1.00 15.82 H new ATOM 0 HG12 VAL A 15 20.927 31.540 4.785 1.00 15.82 H new ATOM 0 HG13 VAL A 15 22.059 32.460 5.804 1.00 15.82 H new ATOM 0 HG21 VAL A 15 24.064 33.134 3.602 1.00 10.96 H new ATOM 0 HG22 VAL A 15 24.500 32.526 5.217 1.00 10.96 H new ATOM 0 HG23 VAL A 15 25.083 31.684 3.761 1.00 10.96 H new ATOM 239 N VAL A 16 23.167 30.551 7.429 1.00 8.87 N ATOM 240 CA VAL A 16 22.504 30.568 8.762 1.00 5.41 C ATOM 241 C VAL A 16 22.568 31.962 9.395 1.00 6.62 C ATOM 242 O VAL A 16 23.620 32.555 9.525 1.00 8.94 O ATOM 243 CB VAL A 16 23.230 29.574 9.669 1.00 7.47 C ATOM 244 CG1 VAL A 16 22.503 29.462 11.009 1.00 5.97 C ATOM 245 CG2 VAL A 16 23.260 28.205 8.989 1.00 5.31 C ATOM 0 H VAL A 16 24.133 30.879 7.422 1.00 8.87 H new ATOM 0 HA VAL A 16 21.455 30.297 8.641 1.00 5.41 H new ATOM 0 HB VAL A 16 24.248 29.922 9.845 1.00 7.47 H new ATOM 0 HG11 VAL A 16 23.027 28.752 11.649 1.00 5.97 H new ATOM 0 HG12 VAL A 16 22.480 30.438 11.493 1.00 5.97 H new ATOM 0 HG13 VAL A 16 21.483 29.116 10.842 1.00 5.97 H new ATOM 0 HG21 VAL A 16 23.777 27.491 9.631 1.00 5.31 H new ATOM 0 HG22 VAL A 16 22.240 27.863 8.814 1.00 5.31 H new ATOM 0 HG23 VAL A 16 23.785 28.283 8.037 1.00 5.31 H new ATOM 255 N PHE A 17 21.441 32.475 9.816 1.00 5.51 N ATOM 256 CA PHE A 17 21.417 33.810 10.474 1.00 5.80 C ATOM 257 C PHE A 17 21.484 33.602 11.988 1.00 7.23 C ATOM 258 O PHE A 17 20.597 33.023 12.583 1.00 5.39 O ATOM 259 CB PHE A 17 20.125 34.531 10.091 1.00 5.73 C ATOM 260 CG PHE A 17 20.218 34.930 8.640 1.00 9.73 C ATOM 261 CD1 PHE A 17 19.934 33.994 7.639 1.00 8.16 C ATOM 262 CD2 PHE A 17 20.601 36.230 8.296 1.00 6.14 C ATOM 263 CE1 PHE A 17 20.042 34.357 6.292 1.00 9.93 C ATOM 264 CE2 PHE A 17 20.713 36.592 6.949 1.00 5.88 C ATOM 265 CZ PHE A 17 20.428 35.658 5.947 1.00 5.73 C ATOM 0 H PHE A 17 20.532 32.021 9.730 1.00 5.51 H new ATOM 0 HA PHE A 17 22.265 34.416 10.153 1.00 5.80 H new ATOM 0 HB2 PHE A 17 19.265 33.881 10.252 1.00 5.73 H new ATOM 0 HB3 PHE A 17 19.981 35.411 10.718 1.00 5.73 H new ATOM 0 HD1 PHE A 17 19.632 32.992 7.906 1.00 8.16 H new ATOM 0 HD2 PHE A 17 20.810 36.954 9.069 1.00 6.14 H new ATOM 0 HE1 PHE A 17 19.828 33.634 5.519 1.00 9.93 H new ATOM 0 HE2 PHE A 17 21.020 37.593 6.683 1.00 5.88 H new ATOM 0 HZ PHE A 17 20.506 35.940 4.908 1.00 5.73 H new ATOM 275 N ILE A 18 22.547 34.038 12.614 1.00 8.64 N ATOM 276 CA ILE A 18 22.692 33.825 14.085 1.00 6.83 C ATOM 277 C ILE A 18 22.951 35.140 14.821 1.00 10.62 C ATOM 278 O ILE A 18 22.921 36.219 14.262 1.00 6.74 O ATOM 279 CB ILE A 18 23.888 32.896 14.337 1.00 6.39 C ATOM 280 CG1 ILE A 18 25.145 33.499 13.698 1.00 3.56 C ATOM 281 CG2 ILE A 18 23.623 31.511 13.730 1.00 2.18 C ATOM 282 CD1 ILE A 18 26.367 32.674 14.103 1.00 8.36 C ATOM 0 H ILE A 18 23.321 34.532 12.170 1.00 8.64 H new ATOM 0 HA ILE A 18 21.763 33.391 14.455 1.00 6.83 H new ATOM 0 HB ILE A 18 24.033 32.790 15.412 1.00 6.39 H new ATOM 0 HG12 ILE A 18 25.044 33.511 12.613 1.00 3.56 H new ATOM 0 HG13 ILE A 18 25.269 34.533 14.018 1.00 3.56 H new ATOM 0 HG21 ILE A 18 24.479 30.862 13.916 1.00 2.18 H new ATOM 0 HG22 ILE A 18 22.733 31.078 14.187 1.00 2.18 H new ATOM 0 HG23 ILE A 18 23.468 31.608 12.655 1.00 2.18 H new ATOM 0 HD11 ILE A 18 27.261 33.102 13.649 1.00 8.36 H new ATOM 0 HD12 ILE A 18 26.470 32.685 15.188 1.00 8.36 H new ATOM 0 HD13 ILE A 18 26.242 31.647 13.761 1.00 8.36 H new ATOM 294 N LYS A 19 23.231 35.018 16.084 1.00 12.12 N ATOM 295 CA LYS A 19 23.539 36.185 16.948 1.00 15.62 C ATOM 296 C LYS A 19 24.577 35.685 17.955 1.00 16.36 C ATOM 297 O LYS A 19 24.212 35.087 18.944 1.00 13.35 O ATOM 298 CB LYS A 19 22.277 36.622 17.711 1.00 18.25 C ATOM 299 CG LYS A 19 21.398 37.531 16.835 1.00 25.24 C ATOM 300 CD LYS A 19 20.679 38.569 17.711 1.00 30.64 C ATOM 301 CE LYS A 19 19.696 37.867 18.652 1.00 31.75 C ATOM 302 NZ LYS A 19 19.210 38.833 19.678 1.00 38.73 N ATOM 0 H LYS A 19 23.260 34.122 16.571 1.00 12.12 H new ATOM 0 HA LYS A 19 23.896 37.032 16.363 1.00 15.62 H new ATOM 0 HB2 LYS A 19 21.709 35.744 18.017 1.00 18.25 H new ATOM 0 HB3 LYS A 19 22.561 37.150 18.621 1.00 18.25 H new ATOM 0 HG2 LYS A 19 22.012 38.035 16.089 1.00 25.24 H new ATOM 0 HG3 LYS A 19 20.667 36.931 16.293 1.00 25.24 H new ATOM 0 HD2 LYS A 19 21.408 39.136 18.290 1.00 30.64 H new ATOM 0 HD3 LYS A 19 20.147 39.282 17.082 1.00 30.64 H new ATOM 0 HE2 LYS A 19 18.854 37.470 18.085 1.00 31.75 H new ATOM 0 HE3 LYS A 19 20.182 37.020 19.136 1.00 31.75 H new ATOM 0 HZ1 LYS A 19 18.543 38.355 20.316 1.00 38.73 H new ATOM 0 HZ2 LYS A 19 20.017 39.192 20.227 1.00 38.73 H new ATOM 0 HZ3 LYS A 19 18.731 39.627 19.208 1.00 38.73 H new ATOM 316 N PRO A 20 25.838 35.888 17.661 1.00 17.46 N ATOM 317 CA PRO A 20 26.918 35.389 18.529 1.00 20.12 C ATOM 318 C PRO A 20 26.668 35.767 19.990 1.00 24.12 C ATOM 319 O PRO A 20 27.241 36.700 20.513 1.00 24.58 O ATOM 320 CB PRO A 20 28.196 36.025 17.963 1.00 20.63 C ATOM 321 CG PRO A 20 27.830 36.658 16.595 1.00 18.08 C ATOM 322 CD PRO A 20 26.295 36.638 16.473 1.00 17.14 C ATOM 0 HA PRO A 20 26.988 34.301 18.532 1.00 20.12 H new ATOM 0 HB2 PRO A 20 28.583 36.782 18.645 1.00 20.63 H new ATOM 0 HB3 PRO A 20 28.978 35.275 17.842 1.00 20.63 H new ATOM 0 HG2 PRO A 20 28.207 37.679 16.532 1.00 18.08 H new ATOM 0 HG3 PRO A 20 28.287 36.098 15.779 1.00 18.08 H new ATOM 0 HD2 PRO A 20 25.885 37.648 16.459 1.00 17.14 H new ATOM 0 HD3 PRO A 20 25.977 36.152 15.551 1.00 17.14 H new ATOM 330 N THR A 21 25.814 35.031 20.652 1.00 24.78 N ATOM 331 CA THR A 21 25.518 35.323 22.081 1.00 27.36 C ATOM 332 C THR A 21 24.536 34.277 22.623 1.00 24.99 C ATOM 333 O THR A 21 24.571 33.929 23.786 1.00 26.49 O ATOM 334 CB THR A 21 24.900 36.720 22.200 1.00 28.64 C ATOM 335 OG1 THR A 21 25.914 37.703 22.042 1.00 30.99 O ATOM 336 CG2 THR A 21 24.245 36.884 23.574 1.00 34.82 C ATOM 0 H THR A 21 25.308 34.237 20.260 1.00 24.78 H new ATOM 0 HA THR A 21 26.441 35.286 22.659 1.00 27.36 H new ATOM 0 HB THR A 21 24.145 36.844 21.424 1.00 28.64 H new ATOM 0 HG1 THR A 21 26.731 37.279 21.705 1.00 30.99 H new ATOM 0 HG21 THR A 21 23.808 37.879 23.652 1.00 34.82 H new ATOM 0 HG22 THR A 21 23.464 36.134 23.697 1.00 34.82 H new ATOM 0 HG23 THR A 21 24.997 36.756 24.353 1.00 34.82 H new ATOM 344 N CYS A 22 23.653 33.782 21.792 1.00 21.46 N ATOM 345 CA CYS A 22 22.661 32.768 22.261 1.00 17.23 C ATOM 346 C CYS A 22 23.147 31.347 21.874 1.00 14.71 C ATOM 347 O CYS A 22 23.417 31.096 20.717 1.00 13.71 O ATOM 348 CB CYS A 22 21.315 33.069 21.592 1.00 15.71 C ATOM 349 SG CYS A 22 19.974 32.889 22.794 1.00 9.78 S ATOM 0 H CYS A 22 23.577 34.037 20.807 1.00 21.46 H new ATOM 0 HA CYS A 22 22.553 32.813 23.345 1.00 17.23 H new ATOM 0 HB2 CYS A 22 21.319 34.081 21.187 1.00 15.71 H new ATOM 0 HB3 CYS A 22 21.156 32.391 20.753 1.00 15.71 H new ATOM 0 HG CYS A 22 18.838 33.148 22.218 1.00 9.78 H new ATOM 354 N PRO A 23 23.259 30.462 22.847 1.00 13.86 N ATOM 355 CA PRO A 23 23.730 29.073 22.609 1.00 13.47 C ATOM 356 C PRO A 23 22.882 28.315 21.568 1.00 8.59 C ATOM 357 O PRO A 23 23.314 27.310 21.040 1.00 10.79 O ATOM 358 CB PRO A 23 23.630 28.388 23.976 1.00 11.94 C ATOM 359 CG PRO A 23 23.257 29.465 25.016 1.00 7.24 C ATOM 360 CD PRO A 23 22.941 30.762 24.256 1.00 12.58 C ATOM 0 HA PRO A 23 24.740 29.077 22.200 1.00 13.47 H new ATOM 0 HB2 PRO A 23 22.877 27.600 23.955 1.00 11.94 H new ATOM 0 HB3 PRO A 23 24.577 27.916 24.237 1.00 11.94 H new ATOM 0 HG2 PRO A 23 22.396 29.147 25.603 1.00 7.24 H new ATOM 0 HG3 PRO A 23 24.079 29.622 25.715 1.00 7.24 H new ATOM 0 HD2 PRO A 23 21.895 31.044 24.374 1.00 12.58 H new ATOM 0 HD3 PRO A 23 23.539 31.594 24.628 1.00 12.58 H new ATOM 368 N TYR A 24 21.695 28.760 21.262 1.00 0.00 N ATOM 369 CA TYR A 24 20.880 28.009 20.255 1.00 0.00 C ATOM 370 C TYR A 24 21.504 28.173 18.876 1.00 0.00 C ATOM 371 O TYR A 24 21.728 27.212 18.167 1.00 0.00 O ATOM 372 CB TYR A 24 19.451 28.550 20.219 1.00 0.00 C ATOM 373 CG TYR A 24 18.625 27.897 21.299 1.00 0.00 C ATOM 374 CD1 TYR A 24 18.684 28.376 22.611 1.00 0.00 C ATOM 375 CD2 TYR A 24 17.794 26.817 20.978 1.00 0.00 C ATOM 376 CE1 TYR A 24 17.908 27.776 23.607 1.00 0.00 C ATOM 377 CE2 TYR A 24 17.019 26.215 21.976 1.00 0.00 C ATOM 378 CZ TYR A 24 17.076 26.694 23.290 1.00 0.00 C ATOM 379 OH TYR A 24 16.312 26.101 24.273 1.00 0.00 O ATOM 0 H TYR A 24 21.257 29.594 21.654 1.00 0.00 H new ATOM 0 HA TYR A 24 20.859 26.956 20.536 1.00 0.00 H new ATOM 0 HB2 TYR A 24 19.459 29.631 20.359 1.00 0.00 H new ATOM 0 HB3 TYR A 24 19.005 28.358 19.243 1.00 0.00 H new ATOM 0 HD1 TYR A 24 19.328 29.208 22.855 1.00 0.00 H new ATOM 0 HD2 TYR A 24 17.751 26.449 19.963 1.00 0.00 H new ATOM 0 HE1 TYR A 24 17.950 28.146 24.621 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.377 25.381 21.732 1.00 0.00 H new ATOM 0 HH TYR A 24 15.792 25.367 23.885 1.00 0.00 H new ATOM 389 N SER A 25 21.795 29.378 18.493 1.00 0.00 N ATOM 390 CA SER A 25 22.410 29.590 17.162 1.00 0.00 C ATOM 391 C SER A 25 23.727 28.829 17.129 1.00 0.00 C ATOM 392 O SER A 25 24.139 28.310 16.112 1.00 0.00 O ATOM 393 CB SER A 25 22.677 31.080 16.966 1.00 0.00 C ATOM 394 OG SER A 25 21.981 31.810 17.964 1.00 0.00 O ATOM 0 H SER A 25 21.634 30.223 19.042 1.00 0.00 H new ATOM 0 HA SER A 25 21.748 29.238 16.370 1.00 0.00 H new ATOM 0 HB2 SER A 25 23.746 31.282 17.029 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.351 31.393 15.974 1.00 0.00 H new ATOM 0 HG SER A 25 22.473 32.632 18.170 1.00 0.00 H new ATOM 400 N ARG A 26 24.379 28.747 18.250 1.00 16.21 N ATOM 401 CA ARG A 26 25.662 28.008 18.308 1.00 15.67 C ATOM 402 C ARG A 26 25.407 26.546 17.933 1.00 13.70 C ATOM 403 O ARG A 26 26.157 25.950 17.187 1.00 12.41 O ATOM 404 CB ARG A 26 26.230 28.093 19.728 1.00 22.04 C ATOM 405 CG ARG A 26 26.464 29.562 20.101 1.00 31.64 C ATOM 406 CD ARG A 26 27.625 30.128 19.277 1.00 43.08 C ATOM 407 NE ARG A 26 28.230 31.288 19.989 1.00 52.93 N ATOM 408 CZ ARG A 26 29.419 31.705 19.652 1.00 57.80 C ATOM 409 NH1 ARG A 26 30.084 31.091 18.712 1.00 58.61 N ATOM 410 NH2 ARG A 26 29.946 32.732 20.258 1.00 59.59 N ATOM 0 H ARG A 26 24.076 29.162 19.131 1.00 16.21 H new ATOM 0 HA ARG A 26 26.379 28.442 17.611 1.00 15.67 H new ATOM 0 HB2 ARG A 26 25.539 27.633 20.435 1.00 22.04 H new ATOM 0 HB3 ARG A 26 27.166 27.538 19.790 1.00 22.04 H new ATOM 0 HG2 ARG A 26 25.559 30.142 19.918 1.00 31.64 H new ATOM 0 HG3 ARG A 26 26.686 29.646 21.165 1.00 31.64 H new ATOM 0 HD2 ARG A 26 28.378 29.357 19.114 1.00 43.08 H new ATOM 0 HD3 ARG A 26 27.269 30.438 18.295 1.00 43.08 H new ATOM 0 HE ARG A 26 27.717 31.754 20.737 1.00 52.93 H new ATOM 0 HH11 ARG A 26 29.674 30.285 18.241 1.00 58.61 H new ATOM 0 HH12 ARG A 26 31.014 31.417 18.449 1.00 58.61 H new ATOM 0 HH21 ARG A 26 29.428 33.210 20.996 1.00 59.59 H new ATOM 0 HH22 ARG A 26 30.876 33.058 19.994 1.00 59.59 H new ATOM 424 N ARG A 27 24.348 25.963 18.430 1.00 0.00 N ATOM 425 CA ARG A 27 24.057 24.545 18.077 1.00 0.00 C ATOM 426 C ARG A 27 24.017 24.416 16.556 1.00 0.00 C ATOM 427 O ARG A 27 24.614 23.530 15.979 1.00 0.00 O ATOM 428 CB ARG A 27 22.698 24.125 18.653 1.00 0.00 C ATOM 429 CG ARG A 27 22.875 23.601 20.082 1.00 0.00 C ATOM 430 CD ARG A 27 21.553 23.727 20.849 1.00 0.00 C ATOM 431 NE ARG A 27 21.428 22.612 21.843 1.00 0.00 N ATOM 432 CZ ARG A 27 21.493 21.361 21.475 1.00 0.00 C ATOM 433 NH1 ARG A 27 21.559 21.050 20.210 1.00 0.00 N ATOM 434 NH2 ARG A 27 21.460 20.421 22.376 1.00 0.00 N ATOM 0 H ARG A 27 23.678 26.404 19.060 1.00 0.00 H new ATOM 0 HA ARG A 27 24.833 23.902 18.493 1.00 0.00 H new ATOM 0 HB2 ARG A 27 22.014 24.974 18.650 1.00 0.00 H new ATOM 0 HB3 ARG A 27 22.251 23.353 18.026 1.00 0.00 H new ATOM 0 HG2 ARG A 27 23.195 22.559 20.060 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.657 24.164 20.591 1.00 0.00 H new ATOM 0 HD2 ARG A 27 21.511 24.688 21.361 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.715 23.700 20.152 1.00 0.00 H new ATOM 0 HE ARG A 27 21.289 22.835 22.828 1.00 0.00 H new ATOM 0 HH11 ARG A 27 21.560 21.786 19.503 1.00 0.00 H new ATOM 0 HH12 ARG A 27 21.610 20.071 19.927 1.00 0.00 H new ATOM 0 HH21 ARG A 27 21.384 20.664 23.364 1.00 0.00 H new ATOM 0 HH22 ARG A 27 21.510 19.442 22.094 1.00 0.00 H new ATOM 448 N ALA A 28 23.313 25.297 15.902 1.00 0.00 N ATOM 449 CA ALA A 28 23.231 25.225 14.422 1.00 0.00 C ATOM 450 C ALA A 28 24.641 25.330 13.840 1.00 0.00 C ATOM 451 O ALA A 28 24.967 24.698 12.858 1.00 0.00 O ATOM 452 CB ALA A 28 22.369 26.378 13.899 1.00 0.00 C ATOM 0 H ALA A 28 22.792 26.062 16.330 1.00 0.00 H new ATOM 0 HA ALA A 28 22.780 24.279 14.123 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.310 26.324 12.812 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.367 26.304 14.321 1.00 0.00 H new ATOM 0 HB3 ALA A 28 22.816 27.328 14.191 1.00 0.00 H new ATOM 458 N GLN A 29 25.480 26.120 14.447 1.00 19.83 N ATOM 459 CA GLN A 29 26.870 26.264 13.939 1.00 20.83 C ATOM 460 C GLN A 29 27.642 24.968 14.194 1.00 20.95 C ATOM 461 O GLN A 29 28.407 24.509 13.370 1.00 22.85 O ATOM 462 CB GLN A 29 27.566 27.415 14.678 1.00 21.33 C ATOM 463 CG GLN A 29 27.017 28.769 14.203 1.00 34.02 C ATOM 464 CD GLN A 29 28.131 29.820 14.244 1.00 40.49 C ATOM 465 OE1 GLN A 29 28.355 30.525 13.279 1.00 42.72 O ATOM 466 NE2 GLN A 29 28.841 29.955 15.329 1.00 45.49 N ATOM 0 H GLN A 29 25.262 26.674 15.275 1.00 19.83 H new ATOM 0 HA GLN A 29 26.845 26.474 12.870 1.00 20.83 H new ATOM 0 HB2 GLN A 29 27.413 27.311 15.752 1.00 21.33 H new ATOM 0 HB3 GLN A 29 28.641 27.370 14.503 1.00 21.33 H new ATOM 0 HG2 GLN A 29 26.626 28.679 13.190 1.00 34.02 H new ATOM 0 HG3 GLN A 29 26.187 29.079 14.838 1.00 34.02 H new ATOM 0 HE21 GLN A 29 28.653 29.364 16.138 1.00 45.49 H new ATOM 0 HE22 GLN A 29 29.585 30.652 15.368 1.00 45.49 H new ATOM 475 N GLU A 30 27.458 24.394 15.346 1.00 22.87 N ATOM 476 CA GLU A 30 28.187 23.142 15.699 1.00 23.32 C ATOM 477 C GLU A 30 27.649 21.939 14.914 1.00 22.32 C ATOM 478 O GLU A 30 28.397 21.071 14.515 1.00 25.42 O ATOM 479 CB GLU A 30 28.023 22.881 17.196 1.00 24.18 C ATOM 480 CG GLU A 30 28.900 23.858 17.985 1.00 32.27 C ATOM 481 CD GLU A 30 28.876 23.482 19.468 1.00 34.97 C ATOM 482 OE1 GLU A 30 29.208 22.349 19.777 1.00 32.92 O ATOM 483 OE2 GLU A 30 28.526 24.332 20.269 1.00 34.69 O ATOM 0 H GLU A 30 26.827 24.741 16.069 1.00 22.87 H new ATOM 0 HA GLU A 30 29.239 23.270 15.443 1.00 23.32 H new ATOM 0 HB2 GLU A 30 26.978 22.999 17.484 1.00 24.18 H new ATOM 0 HB3 GLU A 30 28.304 21.854 17.430 1.00 24.18 H new ATOM 0 HG2 GLU A 30 29.923 23.831 17.609 1.00 32.27 H new ATOM 0 HG3 GLU A 30 28.538 24.877 17.851 1.00 32.27 H new ATOM 490 N ILE A 31 26.363 21.857 14.713 1.00 0.00 N ATOM 491 CA ILE A 31 25.805 20.682 13.983 1.00 0.00 C ATOM 492 C ILE A 31 26.114 20.797 12.485 1.00 0.00 C ATOM 493 O ILE A 31 26.710 19.912 11.904 1.00 0.00 O ATOM 494 CB ILE A 31 24.288 20.610 14.234 1.00 0.00 C ATOM 495 CG1 ILE A 31 23.721 19.264 13.748 1.00 0.00 C ATOM 496 CG2 ILE A 31 23.577 21.766 13.531 1.00 0.00 C ATOM 497 CD1 ILE A 31 23.856 19.124 12.226 1.00 0.00 C ATOM 0 H ILE A 31 25.678 22.547 15.020 1.00 0.00 H new ATOM 0 HA ILE A 31 26.266 19.764 14.348 1.00 0.00 H new ATOM 0 HB ILE A 31 24.114 20.692 15.307 1.00 0.00 H new ATOM 0 HG12 ILE A 31 24.247 18.446 14.239 1.00 0.00 H new ATOM 0 HG13 ILE A 31 22.672 19.184 14.032 1.00 0.00 H new ATOM 0 HG21 ILE A 31 22.505 21.701 13.718 1.00 0.00 H new ATOM 0 HG22 ILE A 31 23.956 22.713 13.915 1.00 0.00 H new ATOM 0 HG23 ILE A 31 23.762 21.709 12.458 1.00 0.00 H new ATOM 0 HD11 ILE A 31 23.447 18.164 11.911 1.00 0.00 H new ATOM 0 HD12 ILE A 31 23.308 19.929 11.737 1.00 0.00 H new ATOM 0 HD13 ILE A 31 24.908 19.179 11.947 1.00 0.00 H new ATOM 509 N LEU A 32 25.734 21.868 11.848 1.00 16.72 N ATOM 510 CA LEU A 32 26.031 22.000 10.396 1.00 15.05 C ATOM 511 C LEU A 32 27.542 21.950 10.174 1.00 15.55 C ATOM 512 O LEU A 32 28.012 21.679 9.087 1.00 17.28 O ATOM 513 CB LEU A 32 25.471 23.332 9.884 1.00 12.57 C ATOM 514 CG LEU A 32 24.059 23.125 9.308 1.00 8.75 C ATOM 515 CD1 LEU A 32 23.203 24.369 9.572 1.00 10.68 C ATOM 516 CD2 LEU A 32 24.152 22.882 7.793 1.00 12.45 C ATOM 0 H LEU A 32 25.234 22.653 12.266 1.00 16.72 H new ATOM 0 HA LEU A 32 25.565 21.179 9.851 1.00 15.05 H new ATOM 0 HB2 LEU A 32 25.438 24.058 10.696 1.00 12.57 H new ATOM 0 HB3 LEU A 32 26.129 23.741 9.117 1.00 12.57 H new ATOM 0 HG LEU A 32 23.599 22.262 9.789 1.00 8.75 H new ATOM 0 HD11 LEU A 32 22.204 24.217 9.162 1.00 10.68 H new ATOM 0 HD12 LEU A 32 23.132 24.541 10.646 1.00 10.68 H new ATOM 0 HD13 LEU A 32 23.663 25.235 9.096 1.00 10.68 H new ATOM 0 HD21 LEU A 32 23.152 22.735 7.386 1.00 12.45 H new ATOM 0 HD22 LEU A 32 24.616 23.744 7.314 1.00 12.45 H new ATOM 0 HD23 LEU A 32 24.755 21.994 7.603 1.00 12.45 H new ATOM 528 N SER A 33 28.309 22.209 11.192 1.00 16.31 N ATOM 529 CA SER A 33 29.784 22.173 11.027 1.00 18.98 C ATOM 530 C SER A 33 30.231 20.738 10.719 1.00 18.49 C ATOM 531 O SER A 33 31.223 20.518 10.053 1.00 21.34 O ATOM 532 CB SER A 33 30.452 22.649 12.319 1.00 19.20 C ATOM 533 OG SER A 33 30.475 24.071 12.342 1.00 24.11 O ATOM 0 H SER A 33 27.979 22.443 12.128 1.00 16.31 H new ATOM 0 HA SER A 33 30.074 22.827 10.204 1.00 18.98 H new ATOM 0 HB2 SER A 33 29.908 22.269 13.184 1.00 19.20 H new ATOM 0 HB3 SER A 33 31.467 22.257 12.383 1.00 19.20 H new ATOM 0 HG SER A 33 29.557 24.413 12.333 1.00 24.11 H new ATOM 539 N GLN A 34 29.516 19.761 11.215 1.00 20.00 N ATOM 540 CA GLN A 34 29.909 18.342 10.971 1.00 24.71 C ATOM 541 C GLN A 34 29.178 17.774 9.746 1.00 23.33 C ATOM 542 O GLN A 34 29.305 16.608 9.432 1.00 26.27 O ATOM 543 CB GLN A 34 29.567 17.512 12.209 1.00 28.15 C ATOM 544 CG GLN A 34 30.653 17.705 13.273 1.00 37.01 C ATOM 545 CD GLN A 34 30.446 19.046 13.981 1.00 41.74 C ATOM 546 OE1 GLN A 34 31.117 20.091 13.582 1.00 44.07 O flip ATOM 547 NE2 GLN A 34 29.664 19.143 14.905 1.00 41.20 N flip ATOM 0 H GLN A 34 28.676 19.886 11.779 1.00 20.00 H new ATOM 0 HA GLN A 34 30.981 18.300 10.776 1.00 24.71 H new ATOM 0 HB2 GLN A 34 28.598 17.814 12.605 1.00 28.15 H new ATOM 0 HB3 GLN A 34 29.488 16.458 11.942 1.00 28.15 H new ATOM 0 HG2 GLN A 34 30.616 16.891 13.997 1.00 37.01 H new ATOM 0 HG3 GLN A 34 31.639 17.675 12.810 1.00 37.01 H new ATOM 0 HE21 GLN A 34 29.139 18.326 15.217 1.00 41.20 H new ATOM 0 HE22 GLN A 34 29.532 20.042 15.369 1.00 41.20 H new ATOM 556 N LEU A 35 28.426 18.576 9.044 1.00 19.63 N ATOM 557 CA LEU A 35 27.714 18.055 7.842 1.00 15.93 C ATOM 558 C LEU A 35 28.644 18.194 6.621 1.00 13.36 C ATOM 559 O LEU A 35 29.225 19.242 6.426 1.00 16.12 O ATOM 560 CB LEU A 35 26.444 18.883 7.606 1.00 13.69 C ATOM 561 CG LEU A 35 25.309 18.403 8.528 1.00 11.57 C ATOM 562 CD1 LEU A 35 24.062 19.263 8.288 1.00 11.03 C ATOM 563 CD2 LEU A 35 24.968 16.931 8.238 1.00 16.28 C ATOM 0 H LEU A 35 28.274 19.564 9.248 1.00 19.63 H new ATOM 0 HA LEU A 35 27.444 17.010 7.991 1.00 15.93 H new ATOM 0 HB2 LEU A 35 26.650 19.937 7.792 1.00 13.69 H new ATOM 0 HB3 LEU A 35 26.135 18.797 6.564 1.00 13.69 H new ATOM 0 HG LEU A 35 25.635 18.495 9.564 1.00 11.57 H new ATOM 0 HD11 LEU A 35 23.256 18.925 8.940 1.00 11.03 H new ATOM 0 HD12 LEU A 35 24.292 20.306 8.506 1.00 11.03 H new ATOM 0 HD13 LEU A 35 23.750 19.170 7.248 1.00 11.03 H new ATOM 0 HD21 LEU A 35 24.164 16.607 8.898 1.00 16.28 H new ATOM 0 HD22 LEU A 35 24.649 16.829 7.201 1.00 16.28 H new ATOM 0 HD23 LEU A 35 25.849 16.313 8.409 1.00 16.28 H new ATOM 575 N PRO A 36 28.773 17.142 5.836 1.00 16.38 N ATOM 576 CA PRO A 36 29.645 17.168 4.647 1.00 17.59 C ATOM 577 C PRO A 36 29.086 18.135 3.601 1.00 19.11 C ATOM 578 O PRO A 36 28.740 17.756 2.500 1.00 21.54 O ATOM 579 CB PRO A 36 29.634 15.726 4.121 1.00 16.71 C ATOM 580 CG PRO A 36 28.497 14.985 4.858 1.00 16.59 C ATOM 581 CD PRO A 36 28.079 15.857 6.053 1.00 15.74 C ATOM 0 HA PRO A 36 30.654 17.509 4.877 1.00 17.59 H new ATOM 0 HB2 PRO A 36 29.470 15.710 3.044 1.00 16.71 H new ATOM 0 HB3 PRO A 36 30.593 15.241 4.305 1.00 16.71 H new ATOM 0 HG2 PRO A 36 27.652 14.818 4.190 1.00 16.59 H new ATOM 0 HG3 PRO A 36 28.834 14.005 5.197 1.00 16.59 H new ATOM 0 HD2 PRO A 36 26.998 15.991 6.087 1.00 15.74 H new ATOM 0 HD3 PRO A 36 28.374 15.402 6.998 1.00 15.74 H new ATOM 589 N ILE A 37 29.005 19.384 3.933 1.00 0.00 N ATOM 590 CA ILE A 37 28.483 20.373 2.958 1.00 0.00 C ATOM 591 C ILE A 37 29.594 20.692 1.960 1.00 0.00 C ATOM 592 O ILE A 37 30.761 20.678 2.293 1.00 0.00 O ATOM 593 CB ILE A 37 28.071 21.653 3.690 1.00 0.00 C ATOM 594 CG1 ILE A 37 26.866 21.358 4.607 1.00 0.00 C ATOM 595 CG2 ILE A 37 27.717 22.737 2.656 1.00 0.00 C ATOM 596 CD1 ILE A 37 25.562 21.680 3.875 1.00 0.00 C ATOM 0 H ILE A 37 29.278 19.766 4.838 1.00 0.00 H new ATOM 0 HA ILE A 37 27.614 19.967 2.441 1.00 0.00 H new ATOM 0 HB ILE A 37 28.895 22.012 4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 37 26.875 20.310 4.908 1.00 0.00 H new ATOM 0 HG13 ILE A 37 26.938 21.952 5.518 1.00 0.00 H new ATOM 0 HG21 ILE A 37 27.423 23.651 3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 37 28.585 22.939 2.028 1.00 0.00 H new ATOM 0 HG23 ILE A 37 26.892 22.391 2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 37 24.716 21.469 4.529 1.00 0.00 H new ATOM 0 HD12 ILE A 37 25.552 22.734 3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 37 25.488 21.067 2.977 1.00 0.00 H new ATOM 608 N LYS A 38 29.249 20.961 0.736 1.00 12.68 N ATOM 609 CA LYS A 38 30.295 21.259 -0.275 1.00 12.78 C ATOM 610 C LYS A 38 31.205 22.388 0.230 1.00 14.66 C ATOM 611 O LYS A 38 31.118 22.805 1.367 1.00 13.94 O ATOM 612 CB LYS A 38 29.628 21.649 -1.590 1.00 11.68 C ATOM 613 CG LYS A 38 28.551 20.611 -1.931 1.00 12.28 C ATOM 614 CD LYS A 38 28.176 20.711 -3.415 1.00 13.74 C ATOM 615 CE LYS A 38 29.101 19.818 -4.245 1.00 20.88 C ATOM 616 NZ LYS A 38 28.999 20.197 -5.683 1.00 29.41 N ATOM 0 H LYS A 38 28.289 20.987 0.392 1.00 12.68 H new ATOM 0 HA LYS A 38 30.910 20.374 -0.440 1.00 12.78 H new ATOM 0 HB2 LYS A 38 29.182 22.640 -1.507 1.00 11.68 H new ATOM 0 HB3 LYS A 38 30.369 21.699 -2.388 1.00 11.68 H new ATOM 0 HG2 LYS A 38 28.916 19.609 -1.707 1.00 12.28 H new ATOM 0 HG3 LYS A 38 27.668 20.774 -1.313 1.00 12.28 H new ATOM 0 HD2 LYS A 38 27.139 20.409 -3.559 1.00 13.74 H new ATOM 0 HD3 LYS A 38 28.256 21.745 -3.751 1.00 13.74 H new ATOM 0 HE2 LYS A 38 30.130 19.924 -3.902 1.00 20.88 H new ATOM 0 HE3 LYS A 38 28.827 18.771 -4.114 1.00 20.88 H new ATOM 0 HZ1 LYS A 38 29.628 19.590 -6.247 1.00 29.41 H new ATOM 0 HZ2 LYS A 38 28.018 20.074 -6.006 1.00 29.41 H new ATOM 0 HZ3 LYS A 38 29.280 21.191 -5.801 1.00 29.41 H new ATOM 630 N GLN A 39 32.097 22.853 -0.603 1.00 0.00 N ATOM 631 CA GLN A 39 33.054 23.926 -0.189 1.00 0.00 C ATOM 632 C GLN A 39 32.340 25.143 0.421 1.00 0.00 C ATOM 633 O GLN A 39 31.583 25.032 1.364 1.00 0.00 O ATOM 634 CB GLN A 39 33.866 24.369 -1.407 1.00 0.00 C ATOM 635 CG GLN A 39 34.693 23.189 -1.920 1.00 0.00 C ATOM 636 CD GLN A 39 35.304 23.548 -3.275 1.00 0.00 C ATOM 637 OE1 GLN A 39 36.500 23.450 -3.461 1.00 0.00 O ATOM 638 NE2 GLN A 39 34.526 23.965 -4.237 1.00 0.00 N ATOM 0 H GLN A 39 32.206 22.532 -1.565 1.00 0.00 H new ATOM 0 HA GLN A 39 33.706 23.512 0.580 1.00 0.00 H new ATOM 0 HB2 GLN A 39 33.200 24.729 -2.191 1.00 0.00 H new ATOM 0 HB3 GLN A 39 34.521 25.198 -1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 39 35.480 22.945 -1.207 1.00 0.00 H new ATOM 0 HG3 GLN A 39 34.064 22.304 -2.015 1.00 0.00 H new ATOM 0 HE21 GLN A 39 33.521 24.047 -4.081 1.00 0.00 H new ATOM 0 HE22 GLN A 39 34.923 24.208 -5.145 1.00 0.00 H new ATOM 647 N GLY A 40 32.623 26.312 -0.097 1.00 11.96 N ATOM 648 CA GLY A 40 32.020 27.561 0.450 1.00 8.67 C ATOM 649 C GLY A 40 30.503 27.563 0.272 1.00 10.51 C ATOM 650 O GLY A 40 29.925 28.531 -0.183 1.00 15.27 O ATOM 0 H GLY A 40 33.254 26.453 -0.886 1.00 11.96 H new ATOM 0 HA2 GLY A 40 32.265 27.654 1.508 1.00 8.67 H new ATOM 0 HA3 GLY A 40 32.450 28.427 -0.054 1.00 8.67 H new ATOM 654 N LEU A 41 29.853 26.501 0.638 1.00 8.78 N ATOM 655 CA LEU A 41 28.368 26.449 0.502 1.00 6.78 C ATOM 656 C LEU A 41 27.740 26.744 1.858 1.00 7.45 C ATOM 657 O LEU A 41 26.672 27.319 1.960 1.00 2.18 O ATOM 658 CB LEU A 41 27.946 25.041 0.061 1.00 6.98 C ATOM 659 CG LEU A 41 27.105 25.114 -1.217 1.00 7.77 C ATOM 660 CD1 LEU A 41 28.020 25.323 -2.426 1.00 7.97 C ATOM 661 CD2 LEU A 41 26.321 23.808 -1.375 1.00 6.68 C ATOM 0 H LEU A 41 30.282 25.662 1.027 1.00 8.78 H new ATOM 0 HA LEU A 41 28.041 27.181 -0.236 1.00 6.78 H new ATOM 0 HB2 LEU A 41 28.830 24.427 -0.112 1.00 6.98 H new ATOM 0 HB3 LEU A 41 27.373 24.560 0.854 1.00 6.98 H new ATOM 0 HG LEU A 41 26.409 25.951 -1.153 1.00 7.77 H new ATOM 0 HD11 LEU A 41 27.418 25.374 -3.333 1.00 7.97 H new ATOM 0 HD12 LEU A 41 28.575 26.253 -2.306 1.00 7.97 H new ATOM 0 HD13 LEU A 41 28.719 24.490 -2.501 1.00 7.97 H new ATOM 0 HD21 LEU A 41 25.720 23.852 -2.283 1.00 6.68 H new ATOM 0 HD22 LEU A 41 27.017 22.972 -1.441 1.00 6.68 H new ATOM 0 HD23 LEU A 41 25.668 23.669 -0.514 1.00 6.68 H new ATOM 673 N LEU A 42 28.400 26.337 2.898 1.00 7.13 N ATOM 674 CA LEU A 42 27.868 26.557 4.267 1.00 6.20 C ATOM 675 C LEU A 42 28.456 27.844 4.840 1.00 5.03 C ATOM 676 O LEU A 42 29.645 28.087 4.765 1.00 5.38 O ATOM 677 CB LEU A 42 28.276 25.364 5.136 1.00 3.82 C ATOM 678 CG LEU A 42 27.835 25.578 6.586 1.00 3.80 C ATOM 679 CD1 LEU A 42 26.315 25.763 6.646 1.00 3.57 C ATOM 680 CD2 LEU A 42 28.230 24.351 7.413 1.00 2.48 C ATOM 0 H LEU A 42 29.298 25.855 2.859 1.00 7.13 H new ATOM 0 HA LEU A 42 26.782 26.647 4.244 1.00 6.20 H new ATOM 0 HB2 LEU A 42 27.827 24.451 4.744 1.00 3.82 H new ATOM 0 HB3 LEU A 42 29.357 25.230 5.095 1.00 3.82 H new ATOM 0 HG LEU A 42 28.319 26.469 6.986 1.00 3.80 H new ATOM 0 HD11 LEU A 42 26.008 25.915 7.681 1.00 3.57 H new ATOM 0 HD12 LEU A 42 26.030 26.631 6.052 1.00 3.57 H new ATOM 0 HD13 LEU A 42 25.824 24.875 6.248 1.00 3.57 H new ATOM 0 HD21 LEU A 42 27.920 24.495 8.448 1.00 2.48 H new ATOM 0 HD22 LEU A 42 27.741 23.466 7.007 1.00 2.48 H new ATOM 0 HD23 LEU A 42 29.311 24.218 7.374 1.00 2.48 H new ATOM 692 N GLU A 43 27.629 28.680 5.407 1.00 5.92 N ATOM 693 CA GLU A 43 28.132 29.958 5.980 1.00 7.54 C ATOM 694 C GLU A 43 27.377 30.270 7.276 1.00 6.00 C ATOM 695 O GLU A 43 26.429 29.602 7.635 1.00 4.97 O ATOM 696 CB GLU A 43 27.898 31.089 4.967 1.00 8.77 C ATOM 697 CG GLU A 43 28.970 32.175 5.129 1.00 16.17 C ATOM 698 CD GLU A 43 30.207 31.797 4.314 1.00 21.65 C ATOM 699 OE1 GLU A 43 30.166 31.951 3.104 1.00 22.03 O ATOM 700 OE2 GLU A 43 31.175 31.357 4.912 1.00 19.19 O ATOM 0 H GLU A 43 26.624 28.531 5.498 1.00 5.92 H new ATOM 0 HA GLU A 43 29.197 29.870 6.195 1.00 7.54 H new ATOM 0 HB2 GLU A 43 27.924 30.690 3.953 1.00 8.77 H new ATOM 0 HB3 GLU A 43 26.908 31.520 5.114 1.00 8.77 H new ATOM 0 HG2 GLU A 43 28.581 33.137 4.795 1.00 16.17 H new ATOM 0 HG3 GLU A 43 29.234 32.286 6.181 1.00 16.17 H new ATOM 707 N PHE A 44 27.785 31.299 7.964 1.00 7.78 N ATOM 708 CA PHE A 44 27.098 31.697 9.224 1.00 9.60 C ATOM 709 C PHE A 44 26.954 33.218 9.199 1.00 6.71 C ATOM 710 O PHE A 44 27.927 33.944 9.228 1.00 6.85 O ATOM 711 CB PHE A 44 27.934 31.261 10.427 1.00 12.09 C ATOM 712 CG PHE A 44 28.300 29.804 10.268 1.00 13.87 C ATOM 713 CD1 PHE A 44 27.351 28.808 10.533 1.00 15.74 C ATOM 714 CD2 PHE A 44 29.590 29.448 9.857 1.00 15.90 C ATOM 715 CE1 PHE A 44 27.690 27.458 10.381 1.00 13.82 C ATOM 716 CE2 PHE A 44 29.929 28.098 9.705 1.00 16.33 C ATOM 717 CZ PHE A 44 28.981 27.104 9.971 1.00 10.85 C ATOM 0 H PHE A 44 28.575 31.889 7.703 1.00 7.78 H new ATOM 0 HA PHE A 44 26.120 31.223 9.305 1.00 9.60 H new ATOM 0 HB2 PHE A 44 28.835 31.870 10.500 1.00 12.09 H new ATOM 0 HB3 PHE A 44 27.373 31.410 11.350 1.00 12.09 H new ATOM 0 HD1 PHE A 44 26.357 29.082 10.855 1.00 15.74 H new ATOM 0 HD2 PHE A 44 30.324 30.215 9.657 1.00 15.90 H new ATOM 0 HE1 PHE A 44 26.956 26.691 10.580 1.00 13.82 H new ATOM 0 HE2 PHE A 44 30.923 27.824 9.382 1.00 16.33 H new ATOM 0 HZ PHE A 44 29.245 26.063 9.860 1.00 10.85 H new ATOM 727 N VAL A 45 25.748 33.705 9.088 1.00 6.10 N ATOM 728 CA VAL A 45 25.543 35.180 8.995 1.00 6.58 C ATOM 729 C VAL A 45 25.211 35.795 10.359 1.00 6.12 C ATOM 730 O VAL A 45 24.100 35.702 10.844 1.00 5.14 O ATOM 731 CB VAL A 45 24.394 35.443 8.021 1.00 5.25 C ATOM 732 CG1 VAL A 45 24.028 36.928 8.041 1.00 2.00 C ATOM 733 CG2 VAL A 45 24.835 35.044 6.611 1.00 2.33 C ATOM 0 H VAL A 45 24.895 33.146 9.058 1.00 6.10 H new ATOM 0 HA VAL A 45 26.466 35.642 8.645 1.00 6.58 H new ATOM 0 HB VAL A 45 23.523 34.858 8.316 1.00 5.25 H new ATOM 0 HG11 VAL A 45 23.209 37.110 7.345 1.00 2.00 H new ATOM 0 HG12 VAL A 45 23.720 37.213 9.047 1.00 2.00 H new ATOM 0 HG13 VAL A 45 24.894 37.520 7.745 1.00 2.00 H new ATOM 0 HG21 VAL A 45 24.021 35.228 5.909 1.00 2.33 H new ATOM 0 HG22 VAL A 45 25.705 35.634 6.321 1.00 2.33 H new ATOM 0 HG23 VAL A 45 25.094 33.985 6.597 1.00 2.33 H new ATOM 743 N ASP A 46 26.169 36.453 10.959 1.00 6.79 N ATOM 744 CA ASP A 46 25.934 37.116 12.271 1.00 6.49 C ATOM 745 C ASP A 46 25.281 38.478 12.020 1.00 9.11 C ATOM 746 O ASP A 46 25.946 39.446 11.709 1.00 7.52 O ATOM 747 CB ASP A 46 27.276 37.305 12.979 1.00 7.84 C ATOM 748 CG ASP A 46 28.047 35.984 12.953 1.00 10.03 C ATOM 749 OD1 ASP A 46 27.539 35.038 12.375 1.00 15.32 O ATOM 750 OD2 ASP A 46 29.131 35.941 13.512 1.00 10.50 O ATOM 0 H ASP A 46 27.114 36.559 10.589 1.00 6.79 H new ATOM 0 HA ASP A 46 25.281 36.507 12.896 1.00 6.49 H new ATOM 0 HB2 ASP A 46 27.854 38.087 12.487 1.00 7.84 H new ATOM 0 HB3 ASP A 46 27.116 37.627 14.008 1.00 7.84 H new ATOM 755 N ILE A 47 23.984 38.559 12.131 1.00 8.21 N ATOM 756 CA ILE A 47 23.295 39.857 11.873 1.00 8.33 C ATOM 757 C ILE A 47 23.773 40.923 12.861 1.00 10.92 C ATOM 758 O ILE A 47 23.315 42.049 12.838 1.00 9.40 O ATOM 759 CB ILE A 47 21.782 39.671 11.997 1.00 6.42 C ATOM 760 CG1 ILE A 47 21.434 39.115 13.381 1.00 6.34 C ATOM 761 CG2 ILE A 47 21.307 38.690 10.926 1.00 3.40 C ATOM 762 CD1 ILE A 47 19.948 39.348 13.661 1.00 7.93 C ATOM 0 H ILE A 47 23.372 37.785 12.389 1.00 8.21 H new ATOM 0 HA ILE A 47 23.536 40.188 10.863 1.00 8.33 H new ATOM 0 HB ILE A 47 21.290 40.634 11.864 1.00 6.42 H new ATOM 0 HG12 ILE A 47 21.661 38.050 13.425 1.00 6.34 H new ATOM 0 HG13 ILE A 47 22.040 39.602 14.144 1.00 6.34 H new ATOM 0 HG21 ILE A 47 20.229 38.554 11.010 1.00 3.40 H new ATOM 0 HG22 ILE A 47 21.547 39.085 9.939 1.00 3.40 H new ATOM 0 HG23 ILE A 47 21.806 37.731 11.064 1.00 3.40 H new ATOM 0 HD11 ILE A 47 19.697 38.953 14.646 1.00 7.93 H new ATOM 0 HD12 ILE A 47 19.736 40.417 13.634 1.00 7.93 H new ATOM 0 HD13 ILE A 47 19.351 38.840 12.904 1.00 7.93 H new ATOM 774 N THR A 48 24.696 40.589 13.723 1.00 13.41 N ATOM 775 CA THR A 48 25.203 41.597 14.698 1.00 16.67 C ATOM 776 C THR A 48 26.448 42.261 14.111 1.00 16.58 C ATOM 777 O THR A 48 26.871 43.316 14.543 1.00 18.03 O ATOM 778 CB THR A 48 25.570 40.905 16.015 1.00 15.80 C ATOM 779 OG1 THR A 48 26.785 40.186 15.847 1.00 21.06 O ATOM 780 CG2 THR A 48 24.455 39.939 16.415 1.00 21.72 C ATOM 0 H THR A 48 25.120 39.664 13.794 1.00 13.41 H new ATOM 0 HA THR A 48 24.433 42.344 14.890 1.00 16.67 H new ATOM 0 HB THR A 48 25.695 41.654 16.797 1.00 15.80 H new ATOM 0 HG1 THR A 48 27.023 39.744 16.689 1.00 21.06 H new ATOM 0 HG21 THR A 48 24.718 39.448 17.352 1.00 21.72 H new ATOM 0 HG22 THR A 48 23.524 40.491 16.543 1.00 21.72 H new ATOM 0 HG23 THR A 48 24.327 39.188 15.635 1.00 21.72 H new ATOM 788 N ALA A 49 27.034 41.646 13.120 1.00 15.36 N ATOM 789 CA ALA A 49 28.249 42.229 12.486 1.00 18.08 C ATOM 790 C ALA A 49 27.841 43.367 11.548 1.00 20.63 C ATOM 791 O ALA A 49 28.652 43.899 10.814 1.00 22.45 O ATOM 792 CB ALA A 49 28.972 41.147 11.682 1.00 18.76 C ATOM 0 H ALA A 49 26.721 40.761 12.721 1.00 15.36 H new ATOM 0 HA ALA A 49 28.912 42.615 13.261 1.00 18.08 H new ATOM 0 HB1 ALA A 49 29.862 41.572 11.217 1.00 18.76 H new ATOM 0 HB2 ALA A 49 29.263 40.334 12.346 1.00 18.76 H new ATOM 0 HB3 ALA A 49 28.307 40.763 10.908 1.00 18.76 H new ATOM 798 N THR A 50 26.589 43.739 11.556 1.00 22.30 N ATOM 799 CA THR A 50 26.131 44.838 10.655 1.00 25.27 C ATOM 800 C THR A 50 25.093 45.702 11.370 1.00 24.34 C ATOM 801 O THR A 50 24.623 46.687 10.836 1.00 25.49 O ATOM 802 CB THR A 50 25.490 44.231 9.403 1.00 22.85 C ATOM 803 OG1 THR A 50 25.264 45.256 8.447 1.00 23.28 O ATOM 804 CG2 THR A 50 24.155 43.575 9.774 1.00 25.63 C ATOM 0 H THR A 50 25.864 43.331 12.146 1.00 22.30 H new ATOM 0 HA THR A 50 26.988 45.452 10.380 1.00 25.27 H new ATOM 0 HB THR A 50 26.157 43.478 8.982 1.00 22.85 H new ATOM 0 HG1 THR A 50 24.945 46.063 8.902 1.00 23.28 H new ATOM 0 HG21 THR A 50 23.701 43.144 8.882 1.00 25.63 H new ATOM 0 HG22 THR A 50 24.328 42.789 10.509 1.00 25.63 H new ATOM 0 HG23 THR A 50 23.486 44.325 10.195 1.00 25.63 H new ATOM 812 N ASN A 51 24.709 45.339 12.561 1.00 0.00 N ATOM 813 CA ASN A 51 23.684 46.146 13.271 1.00 0.00 C ATOM 814 C ASN A 51 22.373 46.005 12.496 1.00 0.00 C ATOM 815 O ASN A 51 22.146 45.010 11.836 1.00 0.00 O ATOM 816 CB ASN A 51 24.123 47.617 13.315 1.00 0.00 C ATOM 817 CG ASN A 51 23.586 48.274 14.589 1.00 0.00 C ATOM 818 OD1 ASN A 51 23.855 47.816 15.681 1.00 0.00 O ATOM 819 ND2 ASN A 51 22.834 49.334 14.494 1.00 0.00 N ATOM 0 H ASN A 51 25.058 44.526 13.068 1.00 0.00 H new ATOM 0 HA ASN A 51 23.557 45.800 14.297 1.00 0.00 H new ATOM 0 HB2 ASN A 51 25.211 47.684 13.290 1.00 0.00 H new ATOM 0 HB3 ASN A 51 23.751 48.145 12.437 1.00 0.00 H new ATOM 0 HD21 ASN A 51 22.471 49.779 15.337 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.608 49.719 13.577 1.00 0.00 H new ATOM 826 N HIS A 52 21.512 46.981 12.544 1.00 0.00 N ATOM 827 CA HIS A 52 20.241 46.857 11.775 1.00 0.00 C ATOM 828 C HIS A 52 19.587 45.515 12.123 1.00 0.00 C ATOM 829 O HIS A 52 18.687 45.056 11.452 1.00 0.00 O ATOM 830 CB HIS A 52 20.569 46.895 10.272 1.00 0.00 C ATOM 831 CG HIS A 52 19.865 48.045 9.608 1.00 0.00 C ATOM 832 ND1 HIS A 52 19.660 49.344 9.997 1.00 0.00 N flip ATOM 833 CD2 HIS A 52 19.276 47.923 8.361 1.00 0.00 C flip ATOM 834 CE1 HIS A 52 18.956 50.022 9.006 1.00 0.00 C flip ATOM 835 NE2 HIS A 52 18.749 49.119 8.043 1.00 0.00 N flip ATOM 0 H HIS A 52 21.628 47.846 13.072 1.00 0.00 H new ATOM 0 HA HIS A 52 19.562 47.673 12.023 1.00 0.00 H new ATOM 0 HB2 HIS A 52 21.646 46.990 10.131 1.00 0.00 H new ATOM 0 HB3 HIS A 52 20.268 45.958 9.804 1.00 0.00 H new ATOM 0 HD2 HIS A 52 19.245 47.030 7.754 1.00 0.00 H new ATOM 0 HE1 HIS A 52 18.644 51.056 9.014 1.00 0.00 H new ATOM 0 HE2 HIS A 52 18.252 49.313 7.173 1.00 0.00 H new ATOM 843 N THR A 53 20.058 44.876 13.158 1.00 18.27 N ATOM 844 CA THR A 53 19.497 43.550 13.550 1.00 16.01 C ATOM 845 C THR A 53 17.971 43.550 13.429 1.00 16.57 C ATOM 846 O THR A 53 17.395 42.717 12.761 1.00 18.87 O ATOM 847 CB THR A 53 19.883 43.245 15.000 1.00 15.02 C ATOM 848 OG1 THR A 53 19.755 44.427 15.778 1.00 13.32 O ATOM 849 CG2 THR A 53 21.329 42.749 15.060 1.00 9.59 C ATOM 0 H THR A 53 20.813 45.217 13.754 1.00 18.27 H new ATOM 0 HA THR A 53 19.904 42.790 12.883 1.00 16.01 H new ATOM 0 HB THR A 53 19.223 42.472 15.394 1.00 15.02 H new ATOM 0 HG1 THR A 53 20.000 44.235 16.707 1.00 13.32 H new ATOM 0 HG21 THR A 53 21.597 42.534 16.094 1.00 9.59 H new ATOM 0 HG22 THR A 53 21.428 41.842 14.463 1.00 9.59 H new ATOM 0 HG23 THR A 53 21.994 43.517 14.665 1.00 9.59 H new ATOM 857 N ASN A 54 17.314 44.463 14.087 1.00 13.94 N ATOM 858 CA ASN A 54 15.824 44.496 14.037 1.00 18.93 C ATOM 859 C ASN A 54 15.337 44.493 12.589 1.00 16.34 C ATOM 860 O ASN A 54 14.333 43.890 12.273 1.00 15.61 O ATOM 861 CB ASN A 54 15.321 45.755 14.743 1.00 24.12 C ATOM 862 CG ASN A 54 15.861 45.788 16.173 1.00 35.27 C ATOM 863 OD1 ASN A 54 16.627 44.818 16.589 1.00 45.21 O flip ATOM 864 ND2 ASN A 54 15.583 46.705 16.920 1.00 37.58 N flip ATOM 0 H ASN A 54 17.744 45.190 14.659 1.00 13.94 H new ATOM 0 HA ASN A 54 15.435 43.610 14.538 1.00 18.93 H new ATOM 0 HB2 ASN A 54 15.645 46.643 14.200 1.00 24.12 H new ATOM 0 HB3 ASN A 54 14.231 45.768 14.754 1.00 24.12 H new ATOM 0 HD21 ASN A 54 14.984 47.464 16.595 1.00 37.58 H new ATOM 0 HD22 ASN A 54 15.949 46.716 17.872 1.00 37.58 H new ATOM 871 N GLU A 55 16.026 45.156 11.707 1.00 16.09 N ATOM 872 CA GLU A 55 15.573 45.173 10.290 1.00 15.04 C ATOM 873 C GLU A 55 15.681 43.763 9.702 1.00 15.56 C ATOM 874 O GLU A 55 14.777 43.292 9.043 1.00 18.95 O ATOM 875 CB GLU A 55 16.437 46.145 9.485 1.00 18.55 C ATOM 876 CG GLU A 55 16.040 47.579 9.837 1.00 23.55 C ATOM 877 CD GLU A 55 14.664 47.891 9.242 1.00 30.41 C ATOM 878 OE1 GLU A 55 14.439 47.532 8.099 1.00 31.49 O ATOM 879 OE2 GLU A 55 13.860 48.485 9.942 1.00 33.02 O ATOM 0 H GLU A 55 16.877 45.683 11.902 1.00 16.09 H new ATOM 0 HA GLU A 55 14.534 45.501 10.243 1.00 15.04 H new ATOM 0 HB2 GLU A 55 17.492 45.982 9.706 1.00 18.55 H new ATOM 0 HB3 GLU A 55 16.305 45.970 8.417 1.00 18.55 H new ATOM 0 HG2 GLU A 55 16.017 47.705 10.919 1.00 23.55 H new ATOM 0 HG3 GLU A 55 16.782 48.278 9.450 1.00 23.55 H new ATOM 886 N ILE A 56 16.769 43.078 9.935 1.00 9.56 N ATOM 887 CA ILE A 56 16.895 41.701 9.377 1.00 8.91 C ATOM 888 C ILE A 56 15.884 40.776 10.061 1.00 7.70 C ATOM 889 O ILE A 56 15.110 40.111 9.405 1.00 9.84 O ATOM 890 CB ILE A 56 18.317 41.170 9.582 1.00 5.82 C ATOM 891 CG1 ILE A 56 19.278 41.893 8.622 1.00 6.47 C ATOM 892 CG2 ILE A 56 18.345 39.664 9.284 1.00 2.31 C ATOM 893 CD1 ILE A 56 19.839 43.148 9.294 1.00 8.03 C ATOM 0 H ILE A 56 17.566 43.407 10.480 1.00 9.56 H new ATOM 0 HA ILE A 56 16.689 41.731 8.307 1.00 8.91 H new ATOM 0 HB ILE A 56 18.626 41.348 10.612 1.00 5.82 H new ATOM 0 HG12 ILE A 56 20.093 41.227 8.339 1.00 6.47 H new ATOM 0 HG13 ILE A 56 18.754 42.164 7.705 1.00 6.47 H new ATOM 0 HG21 ILE A 56 19.356 39.283 9.429 1.00 2.31 H new ATOM 0 HG22 ILE A 56 17.662 39.147 9.958 1.00 2.31 H new ATOM 0 HG23 ILE A 56 18.037 39.491 8.253 1.00 2.31 H new ATOM 0 HD11 ILE A 56 20.518 43.655 8.609 1.00 8.03 H new ATOM 0 HD12 ILE A 56 19.020 43.818 9.555 1.00 8.03 H new ATOM 0 HD13 ILE A 56 20.379 42.866 10.198 1.00 8.03 H new ATOM 905 N GLN A 57 15.861 40.729 11.369 1.00 7.49 N ATOM 906 CA GLN A 57 14.871 39.837 12.036 1.00 6.88 C ATOM 907 C GLN A 57 13.497 40.237 11.535 1.00 9.50 C ATOM 908 O GLN A 57 12.677 39.412 11.185 1.00 11.03 O ATOM 909 CB GLN A 57 14.913 40.020 13.554 1.00 11.02 C ATOM 910 CG GLN A 57 16.358 40.245 14.013 1.00 12.13 C ATOM 911 CD GLN A 57 16.595 39.524 15.342 1.00 16.77 C ATOM 912 OE1 GLN A 57 17.184 38.461 15.375 1.00 17.49 O ATOM 913 NE2 GLN A 57 16.159 40.062 16.448 1.00 17.84 N ATOM 0 H GLN A 57 16.472 41.258 11.991 1.00 7.49 H new ATOM 0 HA GLN A 57 15.098 38.796 11.809 1.00 6.88 H new ATOM 0 HB2 GLN A 57 14.294 40.869 13.844 1.00 11.02 H new ATOM 0 HB3 GLN A 57 14.499 39.140 14.047 1.00 11.02 H new ATOM 0 HG2 GLN A 57 17.051 39.874 13.258 1.00 12.13 H new ATOM 0 HG3 GLN A 57 16.552 41.312 14.127 1.00 12.13 H new ATOM 0 HE21 GLN A 57 15.665 40.954 16.421 1.00 17.84 H new ATOM 0 HE22 GLN A 57 16.312 39.591 17.339 1.00 17.84 H new ATOM 922 N ASP A 58 13.256 41.513 11.469 1.00 13.48 N ATOM 923 CA ASP A 58 11.954 41.986 10.959 1.00 13.94 C ATOM 924 C ASP A 58 11.772 41.373 9.579 1.00 13.32 C ATOM 925 O ASP A 58 10.682 41.023 9.172 1.00 14.28 O ATOM 926 CB ASP A 58 11.975 43.513 10.847 1.00 12.80 C ATOM 927 CG ASP A 58 11.742 44.139 12.224 1.00 17.19 C ATOM 928 OD1 ASP A 58 11.013 43.551 13.005 1.00 18.84 O ATOM 929 OD2 ASP A 58 12.297 45.197 12.473 1.00 15.13 O ATOM 0 H ASP A 58 13.908 42.246 11.748 1.00 13.48 H new ATOM 0 HA ASP A 58 11.140 41.699 11.625 1.00 13.94 H new ATOM 0 HB2 ASP A 58 12.933 43.844 10.445 1.00 12.80 H new ATOM 0 HB3 ASP A 58 11.205 43.846 10.151 1.00 12.80 H new ATOM 934 N TYR A 59 12.855 41.225 8.864 1.00 12.69 N ATOM 935 CA TYR A 59 12.781 40.615 7.510 1.00 10.10 C ATOM 936 C TYR A 59 12.675 39.093 7.640 1.00 7.75 C ATOM 937 O TYR A 59 11.826 38.471 7.033 1.00 5.81 O ATOM 938 CB TYR A 59 14.028 40.977 6.703 1.00 12.40 C ATOM 939 CG TYR A 59 13.761 40.703 5.245 1.00 12.76 C ATOM 940 CD1 TYR A 59 14.042 39.443 4.708 1.00 6.81 C ATOM 941 CD2 TYR A 59 13.225 41.708 4.431 1.00 11.52 C ATOM 942 CE1 TYR A 59 13.786 39.185 3.356 1.00 10.94 C ATOM 943 CE2 TYR A 59 12.966 41.450 3.081 1.00 8.47 C ATOM 944 CZ TYR A 59 13.249 40.190 2.542 1.00 9.37 C ATOM 945 OH TYR A 59 12.994 39.936 1.210 1.00 12.99 O ATOM 0 H TYR A 59 13.790 41.502 9.163 1.00 12.69 H new ATOM 0 HA TYR A 59 11.901 40.998 6.993 1.00 10.10 H new ATOM 0 HB2 TYR A 59 14.280 42.027 6.849 1.00 12.40 H new ATOM 0 HB3 TYR A 59 14.882 40.393 7.046 1.00 12.40 H new ATOM 0 HD1 TYR A 59 14.457 38.669 5.336 1.00 6.81 H new ATOM 0 HD2 TYR A 59 13.012 42.682 4.845 1.00 11.52 H new ATOM 0 HE1 TYR A 59 14.002 38.212 2.941 1.00 10.94 H new ATOM 0 HE2 TYR A 59 12.547 42.224 2.454 1.00 8.47 H new ATOM 0 HH TYR A 59 13.746 39.442 0.821 1.00 12.99 H new ATOM 955 N LEU A 60 13.522 38.480 8.432 1.00 10.71 N ATOM 956 CA LEU A 60 13.438 36.998 8.584 1.00 11.04 C ATOM 957 C LEU A 60 12.000 36.644 8.938 1.00 10.32 C ATOM 958 O LEU A 60 11.475 35.623 8.542 1.00 14.61 O ATOM 959 CB LEU A 60 14.361 36.523 9.713 1.00 7.24 C ATOM 960 CG LEU A 60 15.811 36.929 9.426 1.00 7.73 C ATOM 961 CD1 LEU A 60 16.715 36.406 10.547 1.00 9.54 C ATOM 962 CD2 LEU A 60 16.262 36.333 8.087 1.00 7.23 C ATOM 0 H LEU A 60 14.257 38.936 8.972 1.00 10.71 H new ATOM 0 HA LEU A 60 13.744 36.515 7.656 1.00 11.04 H new ATOM 0 HB2 LEU A 60 14.037 36.953 10.661 1.00 7.24 H new ATOM 0 HB3 LEU A 60 14.294 35.440 9.815 1.00 7.24 H new ATOM 0 HG LEU A 60 15.879 38.016 9.376 1.00 7.73 H new ATOM 0 HD11 LEU A 60 17.747 36.693 10.346 1.00 9.54 H new ATOM 0 HD12 LEU A 60 16.398 36.833 11.499 1.00 9.54 H new ATOM 0 HD13 LEU A 60 16.643 35.319 10.595 1.00 9.54 H new ATOM 0 HD21 LEU A 60 17.293 36.625 7.888 1.00 7.23 H new ATOM 0 HD22 LEU A 60 16.194 35.246 8.131 1.00 7.23 H new ATOM 0 HD23 LEU A 60 15.619 36.704 7.289 1.00 7.23 H new ATOM 974 N GLN A 61 11.364 37.498 9.679 1.00 10.78 N ATOM 975 CA GLN A 61 9.956 37.254 10.076 1.00 11.72 C ATOM 976 C GLN A 61 9.070 37.172 8.824 1.00 14.05 C ATOM 977 O GLN A 61 8.393 36.192 8.594 1.00 14.24 O ATOM 978 CB GLN A 61 9.501 38.422 10.956 1.00 17.47 C ATOM 979 CG GLN A 61 8.051 38.218 11.398 1.00 25.06 C ATOM 980 CD GLN A 61 8.010 37.331 12.643 1.00 31.26 C ATOM 981 OE1 GLN A 61 9.102 36.742 13.044 1.00 40.45 O flip ATOM 982 NE2 GLN A 61 6.973 37.171 13.256 1.00 30.05 N flip ATOM 0 H GLN A 61 11.765 38.367 10.032 1.00 10.78 H new ATOM 0 HA GLN A 61 9.875 36.314 10.623 1.00 11.72 H new ATOM 0 HB2 GLN A 61 10.147 38.501 11.830 1.00 17.47 H new ATOM 0 HB3 GLN A 61 9.593 39.358 10.406 1.00 17.47 H new ATOM 0 HG2 GLN A 61 7.587 39.181 11.611 1.00 25.06 H new ATOM 0 HG3 GLN A 61 7.477 37.758 10.593 1.00 25.06 H new ATOM 0 HE21 GLN A 61 6.119 37.632 12.942 1.00 30.05 H new ATOM 0 HE22 GLN A 61 6.957 36.576 14.084 1.00 30.05 H new ATOM 991 N GLN A 62 9.056 38.206 8.026 1.00 15.71 N ATOM 992 CA GLN A 62 8.199 38.205 6.802 1.00 18.54 C ATOM 993 C GLN A 62 8.718 37.194 5.773 1.00 19.36 C ATOM 994 O GLN A 62 7.952 36.575 5.062 1.00 19.52 O ATOM 995 CB GLN A 62 8.215 39.606 6.183 1.00 25.59 C ATOM 996 CG GLN A 62 7.176 39.686 5.062 1.00 34.08 C ATOM 997 CD GLN A 62 7.015 41.143 4.620 1.00 38.28 C ATOM 998 OE1 GLN A 62 7.804 41.991 4.986 1.00 41.81 O ATOM 999 NE2 GLN A 62 6.019 41.469 3.843 1.00 36.81 N ATOM 0 H GLN A 62 9.603 39.055 8.169 1.00 15.71 H new ATOM 0 HA GLN A 62 7.184 37.924 7.084 1.00 18.54 H new ATOM 0 HB2 GLN A 62 7.999 40.354 6.946 1.00 25.59 H new ATOM 0 HB3 GLN A 62 9.207 39.829 5.790 1.00 25.59 H new ATOM 0 HG2 GLN A 62 7.488 39.071 4.218 1.00 34.08 H new ATOM 0 HG3 GLN A 62 6.221 39.292 5.408 1.00 34.08 H new ATOM 0 HE21 GLN A 62 5.357 40.756 3.536 1.00 36.81 H new ATOM 0 HE22 GLN A 62 5.902 42.437 3.542 1.00 36.81 H new ATOM 1008 N LEU A 63 10.009 37.033 5.673 1.00 17.09 N ATOM 1009 CA LEU A 63 10.563 36.074 4.669 1.00 16.00 C ATOM 1010 C LEU A 63 10.123 34.651 5.004 1.00 11.34 C ATOM 1011 O LEU A 63 9.662 33.914 4.153 1.00 10.68 O ATOM 1012 CB LEU A 63 12.096 36.151 4.672 1.00 19.91 C ATOM 1013 CG LEU A 63 12.674 35.182 3.630 1.00 21.77 C ATOM 1014 CD1 LEU A 63 12.329 35.664 2.216 1.00 21.25 C ATOM 1015 CD2 LEU A 63 14.197 35.116 3.787 1.00 19.51 C ATOM 0 H LEU A 63 10.703 37.520 6.239 1.00 17.09 H new ATOM 0 HA LEU A 63 10.187 36.340 3.681 1.00 16.00 H new ATOM 0 HB2 LEU A 63 12.417 37.169 4.451 1.00 19.91 H new ATOM 0 HB3 LEU A 63 12.479 35.903 5.662 1.00 19.91 H new ATOM 0 HG LEU A 63 12.244 34.193 3.785 1.00 21.77 H new ATOM 0 HD11 LEU A 63 12.743 34.971 1.484 1.00 21.25 H new ATOM 0 HD12 LEU A 63 11.246 35.709 2.101 1.00 21.25 H new ATOM 0 HD13 LEU A 63 12.752 36.656 2.056 1.00 21.25 H new ATOM 0 HD21 LEU A 63 14.609 34.429 3.048 1.00 19.51 H new ATOM 0 HD22 LEU A 63 14.622 36.108 3.636 1.00 19.51 H new ATOM 0 HD23 LEU A 63 14.445 34.764 4.788 1.00 19.51 H new ATOM 1027 N THR A 64 10.271 34.257 6.235 1.00 10.04 N ATOM 1028 CA THR A 64 9.877 32.876 6.639 1.00 8.87 C ATOM 1029 C THR A 64 8.685 32.946 7.591 1.00 10.75 C ATOM 1030 O THR A 64 7.615 32.441 7.306 1.00 11.38 O ATOM 1031 CB THR A 64 11.058 32.200 7.347 1.00 7.78 C ATOM 1032 OG1 THR A 64 10.930 32.368 8.753 1.00 6.36 O ATOM 1033 CG2 THR A 64 12.369 32.834 6.876 1.00 6.96 C ATOM 0 H THR A 64 10.650 34.834 6.986 1.00 10.04 H new ATOM 0 HA THR A 64 9.602 32.300 5.755 1.00 8.87 H new ATOM 0 HB THR A 64 11.062 31.137 7.107 1.00 7.78 H new ATOM 0 HG1 THR A 64 11.035 31.501 9.197 1.00 6.36 H new ATOM 0 HG21 THR A 64 13.207 32.353 7.380 1.00 6.96 H new ATOM 0 HG22 THR A 64 12.470 32.704 5.799 1.00 6.96 H new ATOM 0 HG23 THR A 64 12.365 33.898 7.114 1.00 6.96 H new ATOM 1041 N GLY A 65 8.858 33.569 8.720 1.00 10.19 N ATOM 1042 CA GLY A 65 7.735 33.670 9.690 1.00 13.28 C ATOM 1043 C GLY A 65 8.283 34.000 11.078 1.00 14.66 C ATOM 1044 O GLY A 65 7.906 34.980 11.685 1.00 14.79 O ATOM 0 H GLY A 65 9.728 34.013 9.014 1.00 10.19 H new ATOM 0 HA2 GLY A 65 7.035 34.442 9.372 1.00 13.28 H new ATOM 0 HA3 GLY A 65 7.182 32.731 9.720 1.00 13.28 H new ATOM 1048 N ALA A 66 9.171 33.188 11.585 1.00 12.02 N ATOM 1049 CA ALA A 66 9.746 33.451 12.933 1.00 9.85 C ATOM 1050 C ALA A 66 11.110 34.121 12.778 1.00 14.04 C ATOM 1051 O ALA A 66 11.865 33.809 11.880 1.00 17.81 O ATOM 1052 CB ALA A 66 9.913 32.125 13.680 1.00 13.74 C ATOM 0 H ALA A 66 9.523 32.351 11.121 1.00 12.02 H new ATOM 0 HA ALA A 66 9.079 34.105 13.495 1.00 9.85 H new ATOM 0 HB1 ALA A 66 10.334 32.314 14.667 1.00 13.74 H new ATOM 0 HB2 ALA A 66 8.941 31.642 13.786 1.00 13.74 H new ATOM 0 HB3 ALA A 66 10.583 31.473 13.119 1.00 13.74 H new ATOM 1058 N ARG A 67 11.438 35.035 13.652 1.00 15.81 N ATOM 1059 CA ARG A 67 12.758 35.715 13.560 1.00 16.07 C ATOM 1060 C ARG A 67 13.627 35.220 14.717 1.00 14.37 C ATOM 1061 O ARG A 67 14.578 35.859 15.121 1.00 14.43 O ATOM 1062 CB ARG A 67 12.544 37.235 13.662 1.00 15.97 C ATOM 1063 CG ARG A 67 12.603 37.722 15.117 1.00 17.12 C ATOM 1064 CD ARG A 67 11.386 37.226 15.874 1.00 22.31 C ATOM 1065 NE ARG A 67 10.206 37.916 15.302 1.00 23.80 N ATOM 1066 CZ ARG A 67 8.998 37.589 15.683 1.00 23.98 C ATOM 1067 NH1 ARG A 67 8.829 36.646 16.568 1.00 29.76 N ATOM 1068 NH2 ARG A 67 7.960 38.200 15.182 1.00 21.50 N ATOM 0 H ARG A 67 10.847 35.339 14.426 1.00 15.81 H new ATOM 0 HA ARG A 67 13.249 35.493 12.612 1.00 16.07 H new ATOM 0 HB2 ARG A 67 13.305 37.750 13.075 1.00 15.97 H new ATOM 0 HB3 ARG A 67 11.578 37.496 13.230 1.00 15.97 H new ATOM 0 HG2 ARG A 67 13.513 37.359 15.595 1.00 17.12 H new ATOM 0 HG3 ARG A 67 12.641 38.811 15.144 1.00 17.12 H new ATOM 0 HD2 ARG A 67 11.285 36.145 15.776 1.00 22.31 H new ATOM 0 HD3 ARG A 67 11.480 37.442 16.938 1.00 22.31 H new ATOM 0 HE ARG A 67 10.336 38.651 14.607 1.00 23.80 H new ATOM 0 HH11 ARG A 67 9.638 36.165 16.962 1.00 29.76 H new ATOM 0 HH12 ARG A 67 7.888 36.389 16.867 1.00 29.76 H new ATOM 0 HH21 ARG A 67 8.088 38.937 14.489 1.00 21.50 H new ATOM 0 HH22 ARG A 67 7.021 37.940 15.483 1.00 21.50 H new ATOM 1082 N THR A 68 13.292 34.088 15.262 1.00 13.52 N ATOM 1083 CA THR A 68 14.066 33.551 16.414 1.00 14.97 C ATOM 1084 C THR A 68 15.469 33.150 15.946 1.00 12.85 C ATOM 1085 O THR A 68 15.731 33.039 14.766 1.00 10.80 O ATOM 1086 CB THR A 68 13.338 32.307 16.943 1.00 13.06 C ATOM 1087 OG1 THR A 68 12.085 32.192 16.286 1.00 18.26 O ATOM 1088 CG2 THR A 68 13.108 32.402 18.454 1.00 14.06 C ATOM 0 H THR A 68 12.511 33.507 14.958 1.00 13.52 H new ATOM 0 HA THR A 68 14.150 34.307 17.195 1.00 14.97 H new ATOM 0 HB THR A 68 13.956 31.432 16.745 1.00 13.06 H new ATOM 0 HG1 THR A 68 11.614 31.399 16.617 1.00 18.26 H new ATOM 0 HG21 THR A 68 12.591 31.507 18.800 1.00 14.06 H new ATOM 0 HG22 THR A 68 14.068 32.486 18.964 1.00 14.06 H new ATOM 0 HG23 THR A 68 12.501 33.280 18.675 1.00 14.06 H new ATOM 1096 N VAL A 69 16.373 32.931 16.864 1.00 8.20 N ATOM 1097 CA VAL A 69 17.762 32.538 16.477 1.00 5.92 C ATOM 1098 C VAL A 69 17.954 31.043 16.768 1.00 5.25 C ATOM 1099 O VAL A 69 17.659 30.604 17.854 1.00 5.78 O ATOM 1100 CB VAL A 69 18.766 33.326 17.331 1.00 4.36 C ATOM 1101 CG1 VAL A 69 20.134 33.339 16.652 1.00 2.07 C ATOM 1102 CG2 VAL A 69 18.291 34.764 17.518 1.00 4.08 C ATOM 0 H VAL A 69 16.210 33.007 17.868 1.00 8.20 H new ATOM 0 HA VAL A 69 17.921 32.746 15.419 1.00 5.92 H new ATOM 0 HB VAL A 69 18.843 32.841 18.304 1.00 4.36 H new ATOM 0 HG11 VAL A 69 20.839 33.900 17.265 1.00 2.07 H new ATOM 0 HG12 VAL A 69 20.491 32.316 16.533 1.00 2.07 H new ATOM 0 HG13 VAL A 69 20.050 33.810 15.673 1.00 2.07 H new ATOM 0 HG21 VAL A 69 19.013 35.310 18.125 1.00 4.08 H new ATOM 0 HG22 VAL A 69 18.198 35.246 16.545 1.00 4.08 H new ATOM 0 HG23 VAL A 69 17.322 34.765 18.018 1.00 4.08 H new ATOM 1112 N PRO A 70 18.466 30.294 15.825 1.00 5.33 N ATOM 1113 CA PRO A 70 18.853 30.767 14.476 1.00 6.04 C ATOM 1114 C PRO A 70 17.657 30.779 13.515 1.00 7.79 C ATOM 1115 O PRO A 70 16.513 30.625 13.894 1.00 7.15 O ATOM 1116 CB PRO A 70 19.835 29.684 13.998 1.00 3.22 C ATOM 1117 CG PRO A 70 19.528 28.414 14.827 1.00 6.88 C ATOM 1118 CD PRO A 70 18.742 28.873 16.063 1.00 6.17 C ATOM 0 HA PRO A 70 19.254 31.780 14.502 1.00 6.04 H new ATOM 0 HB2 PRO A 70 19.711 29.491 12.932 1.00 3.22 H new ATOM 0 HB3 PRO A 70 20.867 30.004 14.146 1.00 3.22 H new ATOM 0 HG2 PRO A 70 18.947 27.701 14.242 1.00 6.88 H new ATOM 0 HG3 PRO A 70 20.450 27.911 15.119 1.00 6.88 H new ATOM 0 HD2 PRO A 70 17.819 28.305 16.178 1.00 6.17 H new ATOM 0 HD3 PRO A 70 19.321 28.730 16.976 1.00 6.17 H new ATOM 1126 N ARG A 71 17.966 30.904 12.257 1.00 6.15 N ATOM 1127 CA ARG A 71 16.946 30.869 11.174 1.00 7.10 C ATOM 1128 C ARG A 71 17.700 30.357 9.943 1.00 4.23 C ATOM 1129 O ARG A 71 18.358 31.099 9.241 1.00 6.47 O ATOM 1130 CB ARG A 71 16.355 32.267 10.931 1.00 10.23 C ATOM 1131 CG ARG A 71 15.262 32.200 9.850 1.00 15.67 C ATOM 1132 CD ARG A 71 14.150 31.213 10.243 1.00 20.29 C ATOM 1133 NE ARG A 71 13.871 31.297 11.707 1.00 26.05 N ATOM 1134 CZ ARG A 71 12.794 30.748 12.199 1.00 19.78 C ATOM 1135 NH1 ARG A 71 11.939 30.160 11.406 1.00 22.60 N ATOM 1136 NH2 ARG A 71 12.566 30.792 13.484 1.00 23.53 N ATOM 0 H ARG A 71 18.921 31.034 11.923 1.00 6.15 H new ATOM 0 HA ARG A 71 16.099 30.230 11.424 1.00 7.10 H new ATOM 0 HB2 ARG A 71 15.937 32.659 11.858 1.00 10.23 H new ATOM 0 HB3 ARG A 71 17.142 32.954 10.621 1.00 10.23 H new ATOM 0 HG2 ARG A 71 14.835 33.191 9.699 1.00 15.67 H new ATOM 0 HG3 ARG A 71 15.704 31.895 8.901 1.00 15.67 H new ATOM 0 HD2 ARG A 71 13.243 31.435 9.681 1.00 20.29 H new ATOM 0 HD3 ARG A 71 14.447 30.198 9.981 1.00 20.29 H new ATOM 0 HE ARG A 71 14.522 31.784 12.323 1.00 26.05 H new ATOM 0 HH11 ARG A 71 12.113 30.130 10.401 1.00 22.60 H new ATOM 0 HH12 ARG A 71 11.098 29.731 11.791 1.00 22.60 H new ATOM 0 HH21 ARG A 71 13.230 31.256 14.104 1.00 23.53 H new ATOM 0 HH22 ARG A 71 11.724 30.363 13.868 1.00 23.53 H new ATOM 1150 N VAL A 72 17.672 29.067 9.740 1.00 4.55 N ATOM 1151 CA VAL A 72 18.453 28.443 8.628 1.00 6.53 C ATOM 1152 C VAL A 72 17.726 28.549 7.287 1.00 8.68 C ATOM 1153 O VAL A 72 16.524 28.718 7.222 1.00 6.48 O ATOM 1154 CB VAL A 72 18.670 26.974 8.988 1.00 5.42 C ATOM 1155 CG1 VAL A 72 19.378 26.249 7.842 1.00 3.69 C ATOM 1156 CG2 VAL A 72 19.526 26.895 10.255 1.00 3.35 C ATOM 0 H VAL A 72 17.134 28.409 10.304 1.00 4.55 H new ATOM 0 HA VAL A 72 19.401 28.969 8.515 1.00 6.53 H new ATOM 0 HB VAL A 72 17.706 26.496 9.160 1.00 5.42 H new ATOM 0 HG11 VAL A 72 19.527 25.203 8.110 1.00 3.69 H new ATOM 0 HG12 VAL A 72 18.767 26.309 6.941 1.00 3.69 H new ATOM 0 HG13 VAL A 72 20.345 26.718 7.657 1.00 3.69 H new ATOM 0 HG21 VAL A 72 19.687 25.850 10.521 1.00 3.35 H new ATOM 0 HG22 VAL A 72 20.487 27.376 10.075 1.00 3.35 H new ATOM 0 HG23 VAL A 72 19.014 27.403 11.072 1.00 3.35 H new ATOM 1166 N PHE A 73 18.472 28.466 6.207 1.00 5.39 N ATOM 1167 CA PHE A 73 17.860 28.582 4.854 1.00 6.90 C ATOM 1168 C PHE A 73 18.483 27.585 3.875 1.00 7.16 C ATOM 1169 O PHE A 73 19.397 27.923 3.150 1.00 14.07 O ATOM 1170 CB PHE A 73 18.122 29.981 4.296 1.00 6.44 C ATOM 1171 CG PHE A 73 17.243 30.995 4.973 1.00 9.57 C ATOM 1172 CD1 PHE A 73 17.673 31.615 6.149 1.00 3.78 C ATOM 1173 CD2 PHE A 73 16.005 31.326 4.416 1.00 12.42 C ATOM 1174 CE1 PHE A 73 16.864 32.572 6.770 1.00 6.98 C ATOM 1175 CE2 PHE A 73 15.193 32.281 5.037 1.00 11.45 C ATOM 1176 CZ PHE A 73 15.622 32.904 6.215 1.00 7.54 C ATOM 0 H PHE A 73 19.482 28.322 6.211 1.00 5.39 H new ATOM 0 HA PHE A 73 16.794 28.382 4.958 1.00 6.90 H new ATOM 0 HB2 PHE A 73 19.169 30.246 4.441 1.00 6.44 H new ATOM 0 HB3 PHE A 73 17.936 29.990 3.222 1.00 6.44 H new ATOM 0 HD1 PHE A 73 18.629 31.355 6.578 1.00 3.78 H new ATOM 0 HD2 PHE A 73 15.675 30.845 3.507 1.00 12.42 H new ATOM 0 HE1 PHE A 73 17.197 33.055 7.677 1.00 6.98 H new ATOM 0 HE2 PHE A 73 14.236 32.538 4.608 1.00 11.45 H new ATOM 0 HZ PHE A 73 14.995 33.641 6.696 1.00 7.54 H new ATOM 1186 N ILE A 74 17.973 26.392 3.784 1.00 5.91 N ATOM 1187 CA ILE A 74 18.537 25.459 2.773 1.00 7.08 C ATOM 1188 C ILE A 74 18.060 26.001 1.429 1.00 8.52 C ATOM 1189 O ILE A 74 16.875 26.060 1.174 1.00 6.64 O ATOM 1190 CB ILE A 74 18.003 24.038 2.986 1.00 6.37 C ATOM 1191 CG1 ILE A 74 17.754 23.792 4.478 1.00 6.27 C ATOM 1192 CG2 ILE A 74 19.022 23.020 2.462 1.00 4.80 C ATOM 1193 CD1 ILE A 74 19.047 24.015 5.266 1.00 9.34 C ATOM 0 H ILE A 74 17.208 26.027 4.351 1.00 5.91 H new ATOM 0 HA ILE A 74 19.624 25.401 2.838 1.00 7.08 H new ATOM 0 HB ILE A 74 17.065 23.925 2.443 1.00 6.37 H new ATOM 0 HG12 ILE A 74 16.976 24.464 4.841 1.00 6.27 H new ATOM 0 HG13 ILE A 74 17.395 22.775 4.633 1.00 6.27 H new ATOM 0 HG21 ILE A 74 18.640 22.011 2.615 1.00 4.80 H new ATOM 0 HG22 ILE A 74 19.189 23.187 1.398 1.00 4.80 H new ATOM 0 HG23 ILE A 74 19.963 23.137 3.000 1.00 4.80 H new ATOM 0 HD11 ILE A 74 18.862 23.838 6.326 1.00 9.34 H new ATOM 0 HD12 ILE A 74 19.813 23.325 4.911 1.00 9.34 H new ATOM 0 HD13 ILE A 74 19.388 25.040 5.123 1.00 9.34 H new ATOM 1205 N GLY A 75 18.942 26.470 0.595 1.00 9.27 N ATOM 1206 CA GLY A 75 18.457 27.073 -0.674 1.00 9.68 C ATOM 1207 C GLY A 75 17.541 28.228 -0.263 1.00 12.42 C ATOM 1208 O GLY A 75 17.670 28.752 0.824 1.00 11.15 O ATOM 0 H GLY A 75 19.953 26.464 0.731 1.00 9.27 H new ATOM 0 HA2 GLY A 75 19.289 27.431 -1.280 1.00 9.68 H new ATOM 0 HA3 GLY A 75 17.917 26.340 -1.274 1.00 9.68 H new ATOM 1212 N LYS A 76 16.603 28.622 -1.072 1.00 14.40 N ATOM 1213 CA LYS A 76 15.702 29.725 -0.630 1.00 16.68 C ATOM 1214 C LYS A 76 14.592 29.130 0.243 1.00 16.27 C ATOM 1215 O LYS A 76 13.718 29.827 0.717 1.00 14.00 O ATOM 1216 CB LYS A 76 15.077 30.424 -1.838 1.00 23.46 C ATOM 1217 CG LYS A 76 16.155 30.724 -2.881 1.00 30.10 C ATOM 1218 CD LYS A 76 15.561 31.594 -3.996 1.00 38.66 C ATOM 1219 CE LYS A 76 15.702 33.074 -3.629 1.00 42.17 C ATOM 1220 NZ LYS A 76 15.031 33.909 -4.665 1.00 44.86 N ATOM 0 H LYS A 76 16.420 28.241 -2.000 1.00 14.40 H new ATOM 0 HA LYS A 76 16.279 30.457 -0.066 1.00 16.68 H new ATOM 0 HB2 LYS A 76 14.303 29.793 -2.274 1.00 23.46 H new ATOM 0 HB3 LYS A 76 14.595 31.350 -1.524 1.00 23.46 H new ATOM 0 HG2 LYS A 76 16.995 31.237 -2.414 1.00 30.10 H new ATOM 0 HG3 LYS A 76 16.541 29.794 -3.298 1.00 30.10 H new ATOM 0 HD2 LYS A 76 16.072 31.393 -4.938 1.00 38.66 H new ATOM 0 HD3 LYS A 76 14.510 31.345 -4.144 1.00 38.66 H new ATOM 0 HE2 LYS A 76 15.257 33.261 -2.652 1.00 42.17 H new ATOM 0 HE3 LYS A 76 16.756 33.343 -3.556 1.00 42.17 H new ATOM 0 HZ1 LYS A 76 15.127 34.914 -4.416 1.00 44.86 H new ATOM 0 HZ2 LYS A 76 15.475 33.738 -5.590 1.00 44.86 H new ATOM 0 HZ3 LYS A 76 14.023 33.659 -4.713 1.00 44.86 H new ATOM 1234 N ASP A 77 14.623 27.838 0.447 1.00 0.00 N ATOM 1235 CA ASP A 77 13.574 27.175 1.276 1.00 0.00 C ATOM 1236 C ASP A 77 13.962 27.223 2.759 1.00 0.00 C ATOM 1237 O ASP A 77 14.881 26.558 3.194 1.00 0.00 O ATOM 1238 CB ASP A 77 13.437 25.718 0.833 1.00 0.00 C ATOM 1239 CG ASP A 77 12.944 25.672 -0.615 1.00 0.00 C ATOM 1240 OD1 ASP A 77 13.720 26.011 -1.494 1.00 0.00 O ATOM 1241 OD2 ASP A 77 11.801 25.300 -0.820 1.00 0.00 O ATOM 0 H ASP A 77 15.335 27.211 0.072 1.00 0.00 H new ATOM 0 HA ASP A 77 12.626 27.697 1.143 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.397 25.208 0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.738 25.193 1.484 1.00 0.00 H new ATOM 1246 N SER A 78 13.259 28.003 3.537 1.00 0.00 N ATOM 1247 CA SER A 78 13.566 28.097 4.993 1.00 0.00 C ATOM 1248 C SER A 78 13.083 26.829 5.705 1.00 0.00 C ATOM 1249 O SER A 78 12.038 26.295 5.391 1.00 0.00 O ATOM 1250 CB SER A 78 12.845 29.312 5.579 1.00 0.00 C ATOM 1251 OG SER A 78 13.147 29.421 6.964 1.00 0.00 O ATOM 0 H SER A 78 12.480 28.582 3.223 1.00 0.00 H new ATOM 0 HA SER A 78 14.642 28.201 5.133 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.153 30.218 5.057 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.769 29.213 5.437 1.00 0.00 H new ATOM 0 HG SER A 78 12.319 29.366 7.485 1.00 0.00 H new ATOM 1257 N ILE A 79 13.822 26.348 6.677 1.00 14.84 N ATOM 1258 CA ILE A 79 13.379 25.123 7.410 1.00 16.24 C ATOM 1259 C ILE A 79 12.900 25.520 8.809 1.00 13.64 C ATOM 1260 O ILE A 79 12.130 24.817 9.430 1.00 15.36 O ATOM 1261 CB ILE A 79 14.543 24.136 7.554 1.00 18.04 C ATOM 1262 CG1 ILE A 79 15.809 24.882 7.998 1.00 18.59 C ATOM 1263 CG2 ILE A 79 14.798 23.433 6.218 1.00 15.93 C ATOM 1264 CD1 ILE A 79 16.623 23.997 8.950 1.00 20.45 C ATOM 0 H ILE A 79 14.706 26.748 6.991 1.00 14.84 H new ATOM 0 HA ILE A 79 12.573 24.651 6.849 1.00 16.24 H new ATOM 0 HB ILE A 79 14.285 23.391 8.307 1.00 18.04 H new ATOM 0 HG12 ILE A 79 16.411 25.147 7.128 1.00 18.59 H new ATOM 0 HG13 ILE A 79 15.538 25.814 8.494 1.00 18.59 H new ATOM 0 HG21 ILE A 79 15.626 22.733 6.327 1.00 15.93 H new ATOM 0 HG22 ILE A 79 13.902 22.891 5.915 1.00 15.93 H new ATOM 0 HG23 ILE A 79 15.047 24.174 5.459 1.00 15.93 H new ATOM 0 HD11 ILE A 79 17.521 24.529 9.263 1.00 20.45 H new ATOM 0 HD12 ILE A 79 16.021 23.755 9.826 1.00 20.45 H new ATOM 0 HD13 ILE A 79 16.906 23.077 8.439 1.00 20.45 H new ATOM 1276 N GLY A 80 13.345 26.646 9.310 1.00 12.42 N ATOM 1277 CA GLY A 80 12.904 27.086 10.668 1.00 13.73 C ATOM 1278 C GLY A 80 14.106 27.568 11.484 1.00 12.94 C ATOM 1279 O GLY A 80 15.050 28.122 10.956 1.00 13.82 O ATOM 0 H GLY A 80 13.993 27.277 8.838 1.00 12.42 H new ATOM 0 HA2 GLY A 80 12.171 27.888 10.578 1.00 13.73 H new ATOM 0 HA3 GLY A 80 12.412 26.261 11.184 1.00 13.73 H new ATOM 1283 N GLY A 81 14.069 27.365 12.776 1.00 12.24 N ATOM 1284 CA GLY A 81 15.195 27.813 13.647 1.00 10.24 C ATOM 1285 C GLY A 81 16.069 26.622 14.033 1.00 11.98 C ATOM 1286 O GLY A 81 16.268 25.704 13.262 1.00 12.42 O ATOM 0 H GLY A 81 13.302 26.905 13.267 1.00 12.24 H new ATOM 0 HA2 GLY A 81 15.794 28.559 13.125 1.00 10.24 H new ATOM 0 HA3 GLY A 81 14.802 28.291 14.544 1.00 10.24 H new ATOM 1290 N SER A 82 16.599 26.639 15.224 1.00 0.00 N ATOM 1291 CA SER A 82 17.472 25.522 15.673 1.00 0.00 C ATOM 1292 C SER A 82 16.625 24.283 15.926 1.00 0.00 C ATOM 1293 O SER A 82 16.807 23.253 15.310 1.00 0.00 O ATOM 1294 CB SER A 82 18.188 25.919 16.964 1.00 0.00 C ATOM 1295 OG SER A 82 18.480 24.752 17.721 1.00 0.00 O ATOM 0 H SER A 82 16.463 27.383 15.908 1.00 0.00 H new ATOM 0 HA SER A 82 18.209 25.307 14.899 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.108 26.455 16.732 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.563 26.596 17.546 1.00 0.00 H new ATOM 0 HG SER A 82 18.940 25.005 18.548 1.00 0.00 H new ATOM 1301 N SER A 83 15.703 24.382 16.833 1.00 0.00 N ATOM 1302 CA SER A 83 14.836 23.218 17.150 1.00 0.00 C ATOM 1303 C SER A 83 14.238 22.663 15.861 1.00 0.00 C ATOM 1304 O SER A 83 13.875 21.509 15.778 1.00 0.00 O ATOM 1305 CB SER A 83 13.719 23.666 18.093 1.00 0.00 C ATOM 1306 OG SER A 83 12.714 22.663 18.147 1.00 0.00 O ATOM 0 H SER A 83 15.510 25.225 17.374 1.00 0.00 H new ATOM 0 HA SER A 83 15.425 22.439 17.633 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.121 23.847 19.090 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.291 24.606 17.746 1.00 0.00 H new ATOM 0 HG SER A 83 11.999 22.949 18.753 1.00 0.00 H new ATOM 1312 N ASP A 84 14.140 23.479 14.852 1.00 12.98 N ATOM 1313 CA ASP A 84 13.573 22.998 13.562 1.00 14.53 C ATOM 1314 C ASP A 84 14.623 22.159 12.826 1.00 11.28 C ATOM 1315 O ASP A 84 14.364 21.052 12.404 1.00 12.09 O ATOM 1316 CB ASP A 84 13.163 24.196 12.698 1.00 17.72 C ATOM 1317 CG ASP A 84 12.000 23.792 11.788 1.00 19.35 C ATOM 1318 OD1 ASP A 84 12.225 22.992 10.894 1.00 21.94 O ATOM 1319 OD2 ASP A 84 10.906 24.286 12.003 1.00 27.06 O ATOM 0 H ASP A 84 14.427 24.458 14.863 1.00 12.98 H new ATOM 0 HA ASP A 84 12.694 22.385 13.758 1.00 14.53 H new ATOM 0 HB2 ASP A 84 12.869 25.032 13.332 1.00 17.72 H new ATOM 0 HB3 ASP A 84 14.009 24.532 12.098 1.00 17.72 H new ATOM 1324 N LEU A 85 15.806 22.686 12.668 1.00 11.34 N ATOM 1325 CA LEU A 85 16.879 21.933 11.954 1.00 11.04 C ATOM 1326 C LEU A 85 17.019 20.532 12.550 1.00 12.09 C ATOM 1327 O LEU A 85 16.881 19.537 11.866 1.00 11.43 O ATOM 1328 CB LEU A 85 18.209 22.680 12.110 1.00 9.45 C ATOM 1329 CG LEU A 85 19.232 22.156 11.088 1.00 11.01 C ATOM 1330 CD1 LEU A 85 20.486 23.037 11.114 1.00 12.34 C ATOM 1331 CD2 LEU A 85 19.623 20.710 11.425 1.00 15.31 C ATOM 0 H LEU A 85 16.078 23.610 13.004 1.00 11.34 H new ATOM 0 HA LEU A 85 16.618 21.851 10.899 1.00 11.04 H new ATOM 0 HB2 LEU A 85 18.054 23.749 11.965 1.00 9.45 H new ATOM 0 HB3 LEU A 85 18.593 22.548 13.121 1.00 9.45 H new ATOM 0 HG LEU A 85 18.783 22.185 10.095 1.00 11.01 H new ATOM 0 HD11 LEU A 85 21.209 22.663 10.389 1.00 12.34 H new ATOM 0 HD12 LEU A 85 20.216 24.062 10.861 1.00 12.34 H new ATOM 0 HD13 LEU A 85 20.927 23.013 12.111 1.00 12.34 H new ATOM 0 HD21 LEU A 85 20.348 20.349 10.695 1.00 15.31 H new ATOM 0 HD22 LEU A 85 20.064 20.675 12.421 1.00 15.31 H new ATOM 0 HD23 LEU A 85 18.736 20.078 11.398 1.00 15.31 H new ATOM 1343 N VAL A 86 17.306 20.453 13.817 1.00 0.00 N ATOM 1344 CA VAL A 86 17.480 19.119 14.464 1.00 0.00 C ATOM 1345 C VAL A 86 16.293 18.221 14.128 1.00 0.00 C ATOM 1346 O VAL A 86 16.460 17.123 13.641 1.00 0.00 O ATOM 1347 CB VAL A 86 17.562 19.279 15.990 1.00 0.00 C ATOM 1348 CG1 VAL A 86 19.020 19.182 16.448 1.00 0.00 C ATOM 1349 CG2 VAL A 86 16.994 20.638 16.394 1.00 0.00 C ATOM 0 H VAL A 86 17.428 21.254 14.436 1.00 0.00 H new ATOM 0 HA VAL A 86 18.401 18.671 14.092 1.00 0.00 H new ATOM 0 HB VAL A 86 16.983 18.485 16.462 1.00 0.00 H new ATOM 0 HG11 VAL A 86 19.070 19.296 17.531 1.00 0.00 H new ATOM 0 HG12 VAL A 86 19.426 18.210 16.167 1.00 0.00 H new ATOM 0 HG13 VAL A 86 19.604 19.970 15.973 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.053 20.750 17.477 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.570 21.430 15.916 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.953 20.706 16.078 1.00 0.00 H new ATOM 1359 N SER A 87 15.100 18.671 14.390 1.00 14.12 N ATOM 1360 CA SER A 87 13.912 17.826 14.096 1.00 14.37 C ATOM 1361 C SER A 87 14.074 17.198 12.708 1.00 13.29 C ATOM 1362 O SER A 87 13.687 16.071 12.474 1.00 11.18 O ATOM 1363 CB SER A 87 12.651 18.694 14.131 1.00 13.30 C ATOM 1364 OG SER A 87 12.453 19.182 15.453 1.00 21.79 O ATOM 0 H SER A 87 14.896 19.585 14.794 1.00 14.12 H new ATOM 0 HA SER A 87 13.824 17.036 14.842 1.00 14.37 H new ATOM 0 HB2 SER A 87 12.749 19.527 13.434 1.00 13.30 H new ATOM 0 HB3 SER A 87 11.786 18.112 13.812 1.00 13.30 H new ATOM 0 HG SER A 87 12.825 20.086 15.527 1.00 21.79 H new ATOM 1370 N LEU A 88 14.639 17.928 11.789 1.00 0.00 N ATOM 1371 CA LEU A 88 14.834 17.393 10.413 1.00 0.00 C ATOM 1372 C LEU A 88 16.075 16.489 10.333 1.00 0.00 C ATOM 1373 O LEU A 88 16.049 15.451 9.705 1.00 0.00 O ATOM 1374 CB LEU A 88 14.977 18.568 9.444 1.00 0.00 C ATOM 1375 CG LEU A 88 13.783 19.511 9.619 1.00 0.00 C ATOM 1376 CD1 LEU A 88 14.045 20.820 8.871 1.00 0.00 C ATOM 1377 CD2 LEU A 88 12.517 18.850 9.066 1.00 0.00 C ATOM 0 H LEU A 88 14.977 18.880 11.933 1.00 0.00 H new ATOM 0 HA LEU A 88 13.969 16.787 10.145 1.00 0.00 H new ATOM 0 HB2 LEU A 88 15.908 19.101 9.635 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.022 18.205 8.417 1.00 0.00 H new ATOM 0 HG LEU A 88 13.646 19.722 10.680 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.193 21.488 8.998 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.941 21.294 9.271 1.00 0.00 H new ATOM 0 HD13 LEU A 88 14.187 20.611 7.811 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.670 19.524 9.192 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.653 18.633 8.007 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.326 17.922 9.605 1.00 0.00 H new ATOM 1389 N GLN A 89 17.169 16.884 10.932 1.00 0.00 N ATOM 1390 CA GLN A 89 18.409 16.053 10.846 1.00 0.00 C ATOM 1391 C GLN A 89 18.185 14.668 11.457 1.00 0.00 C ATOM 1392 O GLN A 89 18.399 13.660 10.813 1.00 0.00 O ATOM 1393 CB GLN A 89 19.543 16.755 11.594 1.00 0.00 C ATOM 1394 CG GLN A 89 20.887 16.146 11.184 1.00 0.00 C ATOM 1395 CD GLN A 89 21.186 16.485 9.721 1.00 0.00 C ATOM 1396 OE1 GLN A 89 21.759 17.517 9.429 1.00 0.00 O ATOM 1397 NE2 GLN A 89 20.823 15.653 8.783 1.00 0.00 N ATOM 0 H GLN A 89 17.258 17.743 11.475 1.00 0.00 H new ATOM 0 HA GLN A 89 18.669 15.931 9.795 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.533 17.822 11.371 1.00 0.00 H new ATOM 0 HB3 GLN A 89 19.400 16.653 12.670 1.00 0.00 H new ATOM 0 HG2 GLN A 89 21.681 16.529 11.825 1.00 0.00 H new ATOM 0 HG3 GLN A 89 20.863 15.065 11.319 1.00 0.00 H new ATOM 0 HE21 GLN A 89 20.342 14.787 9.027 1.00 0.00 H new ATOM 0 HE22 GLN A 89 21.020 15.869 7.806 1.00 0.00 H new ATOM 1406 N GLN A 90 17.771 14.595 12.692 1.00 0.00 N ATOM 1407 CA GLN A 90 17.564 13.253 13.307 1.00 0.00 C ATOM 1408 C GLN A 90 16.526 12.491 12.492 1.00 0.00 C ATOM 1409 O GLN A 90 16.513 11.278 12.455 1.00 0.00 O ATOM 1410 CB GLN A 90 17.104 13.373 14.772 1.00 0.00 C ATOM 1411 CG GLN A 90 16.796 14.826 15.129 1.00 0.00 C ATOM 1412 CD GLN A 90 16.433 14.912 16.613 1.00 0.00 C ATOM 1413 OE1 GLN A 90 15.282 14.775 16.979 1.00 0.00 O ATOM 1414 NE2 GLN A 90 17.375 15.132 17.489 1.00 0.00 N ATOM 0 H GLN A 90 17.570 15.393 13.295 1.00 0.00 H new ATOM 0 HA GLN A 90 18.512 12.714 13.303 1.00 0.00 H new ATOM 0 HB2 GLN A 90 16.217 12.760 14.930 1.00 0.00 H new ATOM 0 HB3 GLN A 90 17.880 12.988 15.434 1.00 0.00 H new ATOM 0 HG2 GLN A 90 17.659 15.456 14.916 1.00 0.00 H new ATOM 0 HG3 GLN A 90 15.972 15.197 14.519 1.00 0.00 H new ATOM 0 HE21 GLN A 90 18.341 15.247 17.181 1.00 0.00 H new ATOM 0 HE22 GLN A 90 17.146 15.189 18.481 1.00 0.00 H new ATOM 1423 N SER A 91 15.668 13.200 11.826 1.00 0.00 N ATOM 1424 CA SER A 91 14.636 12.527 10.993 1.00 0.00 C ATOM 1425 C SER A 91 15.276 12.086 9.679 1.00 0.00 C ATOM 1426 O SER A 91 15.328 10.913 9.362 1.00 0.00 O ATOM 1427 CB SER A 91 13.486 13.493 10.710 1.00 0.00 C ATOM 1428 OG SER A 91 12.841 13.825 11.933 1.00 0.00 O ATOM 0 H SER A 91 15.634 14.219 11.820 1.00 0.00 H new ATOM 0 HA SER A 91 14.243 11.659 11.523 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.863 14.395 10.228 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.774 13.038 10.022 1.00 0.00 H new ATOM 0 HG SER A 91 12.735 14.797 11.993 1.00 0.00 H new ATOM 1434 N GLY A 92 15.776 13.021 8.921 1.00 19.34 N ATOM 1435 CA GLY A 92 16.434 12.676 7.625 1.00 19.37 C ATOM 1436 C GLY A 92 15.873 13.550 6.503 1.00 22.29 C ATOM 1437 O GLY A 92 16.368 13.544 5.393 1.00 25.64 O ATOM 0 H GLY A 92 15.758 14.016 9.143 1.00 19.34 H new ATOM 0 HA2 GLY A 92 17.511 12.821 7.705 1.00 19.37 H new ATOM 0 HA3 GLY A 92 16.270 11.624 7.394 1.00 19.37 H new ATOM 1441 N GLU A 93 14.851 14.306 6.778 1.00 22.54 N ATOM 1442 CA GLU A 93 14.270 15.182 5.725 1.00 24.53 C ATOM 1443 C GLU A 93 15.256 16.315 5.424 1.00 23.48 C ATOM 1444 O GLU A 93 15.274 16.876 4.347 1.00 22.85 O ATOM 1445 CB GLU A 93 12.943 15.756 6.233 1.00 27.50 C ATOM 1446 CG GLU A 93 12.349 16.705 5.192 1.00 36.43 C ATOM 1447 CD GLU A 93 12.117 15.951 3.883 1.00 44.30 C ATOM 1448 OE1 GLU A 93 11.618 14.839 3.944 1.00 42.86 O ATOM 1449 OE2 GLU A 93 12.441 16.497 2.842 1.00 50.26 O ATOM 0 H GLU A 93 14.391 14.356 7.687 1.00 22.54 H new ATOM 0 HA GLU A 93 14.088 14.613 4.813 1.00 24.53 H new ATOM 0 HB2 GLU A 93 12.243 14.946 6.440 1.00 27.50 H new ATOM 0 HB3 GLU A 93 13.103 16.287 7.171 1.00 27.50 H new ATOM 0 HG2 GLU A 93 11.409 17.118 5.557 1.00 36.43 H new ATOM 0 HG3 GLU A 93 13.023 17.545 5.025 1.00 36.43 H new ATOM 1456 N LEU A 94 16.075 16.654 6.380 1.00 24.17 N ATOM 1457 CA LEU A 94 17.072 17.747 6.183 1.00 22.19 C ATOM 1458 C LEU A 94 18.019 17.413 5.035 1.00 22.62 C ATOM 1459 O LEU A 94 18.089 18.116 4.048 1.00 21.76 O ATOM 1460 CB LEU A 94 17.892 17.914 7.462 1.00 23.15 C ATOM 1461 CG LEU A 94 18.576 19.291 7.466 1.00 23.80 C ATOM 1462 CD1 LEU A 94 17.601 20.363 7.972 1.00 18.74 C ATOM 1463 CD2 LEU A 94 19.810 19.249 8.379 1.00 21.18 C ATOM 0 H LEU A 94 16.097 16.216 7.301 1.00 24.17 H new ATOM 0 HA LEU A 94 16.537 18.667 5.947 1.00 22.19 H new ATOM 0 HB2 LEU A 94 17.246 17.816 8.334 1.00 23.15 H new ATOM 0 HB3 LEU A 94 18.641 17.125 7.530 1.00 23.15 H new ATOM 0 HG LEU A 94 18.881 19.539 6.449 1.00 23.80 H new ATOM 0 HD11 LEU A 94 18.096 21.334 7.971 1.00 18.74 H new ATOM 0 HD12 LEU A 94 16.729 20.399 7.319 1.00 18.74 H new ATOM 0 HD13 LEU A 94 17.285 20.118 8.986 1.00 18.74 H new ATOM 0 HD21 LEU A 94 20.294 20.225 8.381 1.00 21.18 H new ATOM 0 HD22 LEU A 94 19.504 18.994 9.393 1.00 21.18 H new ATOM 0 HD23 LEU A 94 20.509 18.498 8.011 1.00 21.18 H new ATOM 1475 N LEU A 95 18.766 16.356 5.170 1.00 0.00 N ATOM 1476 CA LEU A 95 19.730 16.000 4.098 1.00 0.00 C ATOM 1477 C LEU A 95 18.979 15.911 2.780 1.00 0.00 C ATOM 1478 O LEU A 95 19.514 16.176 1.723 1.00 0.00 O ATOM 1479 CB LEU A 95 20.409 14.665 4.446 1.00 0.00 C ATOM 1480 CG LEU A 95 19.635 13.463 3.877 1.00 0.00 C ATOM 1481 CD1 LEU A 95 20.143 13.137 2.467 1.00 0.00 C ATOM 1482 CD2 LEU A 95 19.857 12.242 4.784 1.00 0.00 C ATOM 0 H LEU A 95 18.751 15.726 5.972 1.00 0.00 H new ATOM 0 HA LEU A 95 20.506 16.760 4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.426 14.661 4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.486 14.568 5.529 1.00 0.00 H new ATOM 0 HG LEU A 95 18.574 13.708 3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 95 19.591 12.285 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 95 19.995 14.000 1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.205 12.894 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 95 19.310 11.388 4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 95 20.920 12.006 4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 95 19.498 12.465 5.789 1.00 0.00 H new ATOM 1494 N THR A 96 17.730 15.572 2.845 1.00 15.75 N ATOM 1495 CA THR A 96 16.925 15.500 1.600 1.00 17.89 C ATOM 1496 C THR A 96 16.803 16.912 1.024 1.00 14.96 C ATOM 1497 O THR A 96 17.063 17.138 -0.140 1.00 17.84 O ATOM 1498 CB THR A 96 15.535 14.923 1.895 1.00 19.42 C ATOM 1499 OG1 THR A 96 15.558 13.516 1.687 1.00 21.98 O ATOM 1500 CG2 THR A 96 14.493 15.558 0.966 1.00 28.03 C ATOM 0 H THR A 96 17.230 15.341 3.704 1.00 15.75 H new ATOM 0 HA THR A 96 17.414 14.845 0.879 1.00 17.89 H new ATOM 0 HB THR A 96 15.269 15.141 2.929 1.00 19.42 H new ATOM 0 HG1 THR A 96 14.672 13.143 1.876 1.00 21.98 H new ATOM 0 HG21 THR A 96 13.510 15.141 1.184 1.00 28.03 H new ATOM 0 HG22 THR A 96 14.473 16.636 1.124 1.00 28.03 H new ATOM 0 HG23 THR A 96 14.754 15.348 -0.071 1.00 28.03 H new ATOM 1508 N ARG A 97 16.429 17.869 1.836 1.00 12.39 N ATOM 1509 CA ARG A 97 16.310 19.260 1.321 1.00 13.82 C ATOM 1510 C ARG A 97 17.660 19.641 0.718 1.00 14.98 C ATOM 1511 O ARG A 97 17.743 20.355 -0.259 1.00 16.48 O ATOM 1512 CB ARG A 97 15.961 20.218 2.472 1.00 18.70 C ATOM 1513 CG ARG A 97 14.437 20.287 2.662 1.00 27.27 C ATOM 1514 CD ARG A 97 13.816 21.198 1.592 1.00 36.05 C ATOM 1515 NE ARG A 97 13.414 22.509 2.202 1.00 38.76 N ATOM 1516 CZ ARG A 97 12.624 22.566 3.241 1.00 40.02 C ATOM 1517 NH1 ARG A 97 12.084 21.478 3.720 1.00 39.86 N ATOM 1518 NH2 ARG A 97 12.353 23.719 3.784 1.00 40.96 N ATOM 0 H ARG A 97 16.204 17.746 2.823 1.00 12.39 H new ATOM 0 HA ARG A 97 15.521 19.327 0.572 1.00 13.82 H new ATOM 0 HB2 ARG A 97 16.435 19.879 3.393 1.00 18.70 H new ATOM 0 HB3 ARG A 97 16.354 21.212 2.259 1.00 18.70 H new ATOM 0 HG2 ARG A 97 14.008 19.287 2.594 1.00 27.27 H new ATOM 0 HG3 ARG A 97 14.203 20.668 3.656 1.00 27.27 H new ATOM 0 HD2 ARG A 97 14.531 21.367 0.787 1.00 36.05 H new ATOM 0 HD3 ARG A 97 12.947 20.712 1.149 1.00 36.05 H new ATOM 0 HE ARG A 97 13.766 23.376 1.796 1.00 38.76 H new ATOM 0 HH11 ARG A 97 12.278 20.577 3.283 1.00 39.86 H new ATOM 0 HH12 ARG A 97 11.468 21.529 4.531 1.00 39.86 H new ATOM 0 HH21 ARG A 97 12.757 24.572 3.398 1.00 40.96 H new ATOM 0 HH22 ARG A 97 11.737 23.768 4.595 1.00 40.96 H new ATOM 1532 N LEU A 98 18.718 19.137 1.288 1.00 12.44 N ATOM 1533 CA LEU A 98 20.071 19.419 0.749 1.00 12.45 C ATOM 1534 C LEU A 98 20.255 18.643 -0.561 1.00 14.25 C ATOM 1535 O LEU A 98 20.825 19.132 -1.515 1.00 12.19 O ATOM 1536 CB LEU A 98 21.121 18.951 1.764 1.00 13.23 C ATOM 1537 CG LEU A 98 21.321 20.008 2.856 1.00 11.83 C ATOM 1538 CD1 LEU A 98 20.149 19.967 3.837 1.00 8.88 C ATOM 1539 CD2 LEU A 98 22.619 19.715 3.613 1.00 15.05 C ATOM 0 H LEU A 98 18.700 18.536 2.112 1.00 12.44 H new ATOM 0 HA LEU A 98 20.186 20.487 0.566 1.00 12.45 H new ATOM 0 HB2 LEU A 98 20.806 18.010 2.214 1.00 13.23 H new ATOM 0 HB3 LEU A 98 22.067 18.761 1.256 1.00 13.23 H new ATOM 0 HG LEU A 98 21.374 20.995 2.396 1.00 11.83 H new ATOM 0 HD11 LEU A 98 20.296 20.720 4.611 1.00 8.88 H new ATOM 0 HD12 LEU A 98 19.221 20.171 3.304 1.00 8.88 H new ATOM 0 HD13 LEU A 98 20.094 18.980 4.297 1.00 8.88 H new ATOM 0 HD21 LEU A 98 22.764 20.465 4.390 1.00 15.05 H new ATOM 0 HD22 LEU A 98 22.559 18.727 4.069 1.00 15.05 H new ATOM 0 HD23 LEU A 98 23.459 19.744 2.919 1.00 15.05 H new ATOM 1551 N LYS A 99 19.792 17.420 -0.589 1.00 0.00 N ATOM 1552 CA LYS A 99 19.948 16.569 -1.808 1.00 0.00 C ATOM 1553 C LYS A 99 19.169 17.138 -3.000 1.00 0.00 C ATOM 1554 O LYS A 99 19.705 17.287 -4.080 1.00 0.00 O ATOM 1555 CB LYS A 99 19.434 15.158 -1.504 1.00 0.00 C ATOM 1556 CG LYS A 99 19.943 14.184 -2.572 1.00 0.00 C ATOM 1557 CD LYS A 99 19.242 12.831 -2.416 1.00 0.00 C ATOM 1558 CE LYS A 99 19.645 11.909 -3.571 1.00 0.00 C ATOM 1559 NZ LYS A 99 19.274 12.543 -4.868 1.00 0.00 N ATOM 0 H LYS A 99 19.308 16.970 0.188 1.00 0.00 H new ATOM 0 HA LYS A 99 21.005 16.547 -2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 99 19.773 14.841 -0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.344 15.154 -1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 99 19.755 14.589 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 99 21.022 14.058 -2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.513 12.377 -1.463 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.161 12.969 -2.407 1.00 0.00 H new ATOM 0 HE2 LYS A 99 20.718 11.719 -3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.148 10.944 -3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.143 11.806 -5.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.389 13.076 -4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 20.031 13.190 -5.167 1.00 0.00 H new ATOM 1573 N GLN A 100 17.903 17.422 -2.835 1.00 18.17 N ATOM 1574 CA GLN A 100 17.107 17.935 -3.990 1.00 18.02 C ATOM 1575 C GLN A 100 17.815 19.117 -4.664 1.00 18.05 C ATOM 1576 O GLN A 100 17.737 19.279 -5.866 1.00 19.19 O ATOM 1577 CB GLN A 100 15.702 18.359 -3.535 1.00 20.45 C ATOM 1578 CG GLN A 100 15.713 18.776 -2.063 1.00 29.25 C ATOM 1579 CD GLN A 100 14.642 19.842 -1.830 1.00 34.17 C ATOM 1580 OE1 GLN A 100 14.726 20.931 -2.362 1.00 34.86 O ATOM 1581 NE2 GLN A 100 13.631 19.571 -1.051 1.00 38.64 N ATOM 0 H GLN A 100 17.390 17.322 -1.959 1.00 18.17 H new ATOM 0 HA GLN A 100 17.015 17.126 -4.715 1.00 18.02 H new ATOM 0 HB2 GLN A 100 15.350 19.187 -4.150 1.00 20.45 H new ATOM 0 HB3 GLN A 100 15.003 17.535 -3.679 1.00 20.45 H new ATOM 0 HG2 GLN A 100 15.525 17.911 -1.427 1.00 29.25 H new ATOM 0 HG3 GLN A 100 16.694 19.165 -1.791 1.00 29.25 H new ATOM 0 HE21 GLN A 100 13.562 18.656 -0.605 1.00 38.64 H new ATOM 0 HE22 GLN A 100 12.910 20.274 -0.888 1.00 38.64 H new ATOM 1590 N ILE A 101 18.510 19.942 -3.924 1.00 0.00 N ATOM 1591 CA ILE A 101 19.211 21.092 -4.573 1.00 0.00 C ATOM 1592 C ILE A 101 20.686 20.737 -4.761 1.00 0.00 C ATOM 1593 O ILE A 101 21.382 21.333 -5.561 1.00 0.00 O ATOM 1594 CB ILE A 101 19.092 22.346 -3.703 1.00 0.00 C ATOM 1595 CG1 ILE A 101 19.682 22.071 -2.319 1.00 0.00 C ATOM 1596 CG2 ILE A 101 17.622 22.746 -3.562 1.00 0.00 C ATOM 1597 CD1 ILE A 101 19.490 23.301 -1.427 1.00 0.00 C ATOM 0 H ILE A 101 18.622 19.872 -2.913 1.00 0.00 H new ATOM 0 HA ILE A 101 18.751 21.293 -5.541 1.00 0.00 H new ATOM 0 HB ILE A 101 19.641 23.160 -4.176 1.00 0.00 H new ATOM 0 HG12 ILE A 101 19.196 21.204 -1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 101 20.742 21.833 -2.405 1.00 0.00 H new ATOM 0 HG21 ILE A 101 17.546 23.639 -2.942 1.00 0.00 H new ATOM 0 HG22 ILE A 101 17.205 22.952 -4.548 1.00 0.00 H new ATOM 0 HG23 ILE A 101 17.067 21.932 -3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 101 19.911 23.104 -0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 101 19.996 24.157 -1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 101 18.426 23.518 -1.331 1.00 0.00 H new ATOM 1609 N GLY A 102 21.163 19.756 -4.047 1.00 11.15 N ATOM 1610 CA GLY A 102 22.589 19.342 -4.197 1.00 12.21 C ATOM 1611 C GLY A 102 23.493 20.195 -3.308 1.00 14.73 C ATOM 1612 O GLY A 102 24.571 20.591 -3.705 1.00 18.54 O ATOM 0 H GLY A 102 20.627 19.221 -3.364 1.00 11.15 H new ATOM 0 HA2 GLY A 102 22.698 18.290 -3.933 1.00 12.21 H new ATOM 0 HA3 GLY A 102 22.895 19.442 -5.238 1.00 12.21 H new ATOM 1616 N ALA A 103 23.073 20.478 -2.109 1.00 10.84 N ATOM 1617 CA ALA A 103 23.925 21.301 -1.203 1.00 9.88 C ATOM 1618 C ALA A 103 24.929 20.397 -0.489 1.00 9.21 C ATOM 1619 O ALA A 103 25.856 20.859 0.149 1.00 7.47 O ATOM 1620 CB ALA A 103 23.050 22.006 -0.165 1.00 4.30 C ATOM 0 H ALA A 103 22.181 20.178 -1.716 1.00 10.84 H new ATOM 0 HA ALA A 103 24.457 22.048 -1.792 1.00 9.88 H new ATOM 0 HB1 ALA A 103 23.678 22.605 0.494 1.00 4.30 H new ATOM 0 HB2 ALA A 103 22.334 22.653 -0.672 1.00 4.30 H new ATOM 0 HB3 ALA A 103 22.513 21.262 0.424 1.00 4.30 H new ATOM 1626 N LEU A 104 24.752 19.109 -0.591 1.00 0.00 N ATOM 1627 CA LEU A 104 25.691 18.161 0.075 1.00 0.00 C ATOM 1628 C LEU A 104 26.758 17.706 -0.921 1.00 0.00 C ATOM 1629 O LEU A 104 26.746 18.081 -2.076 1.00 0.00 O ATOM 1630 CB LEU A 104 24.914 16.944 0.601 1.00 0.00 C ATOM 1631 CG LEU A 104 24.538 15.992 -0.546 1.00 0.00 C ATOM 1632 CD1 LEU A 104 23.652 14.869 -0.001 1.00 0.00 C ATOM 1633 CD2 LEU A 104 23.769 16.752 -1.629 1.00 0.00 C ATOM 0 H LEU A 104 23.992 18.669 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 104 26.175 18.664 0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 104 25.518 16.412 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 104 24.011 17.278 1.112 1.00 0.00 H new ATOM 0 HG LEU A 104 25.449 15.576 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 104 23.383 14.192 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 104 24.194 14.318 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 104 22.747 15.296 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 104 23.507 16.069 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 104 22.859 17.174 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 104 24.392 17.556 -2.021 1.00 0.00 H new ATOM 1645 N GLN A 105 27.681 16.898 -0.478 1.00 0.00 N ATOM 1646 CA GLN A 105 28.753 16.416 -1.394 1.00 0.00 C ATOM 1647 C GLN A 105 28.212 15.280 -2.266 1.00 0.00 C ATOM 1648 O GLN A 105 28.065 15.494 -3.458 1.00 0.00 O ATOM 1649 CB GLN A 105 29.937 15.907 -0.567 1.00 0.00 C ATOM 1650 CG GLN A 105 30.754 17.097 -0.050 1.00 0.00 C ATOM 1651 CD GLN A 105 31.722 17.566 -1.138 1.00 0.00 C ATOM 1652 OE1 GLN A 105 31.287 18.341 -2.093 1.00 0.00 O flip ATOM 1653 NE2 GLN A 105 32.888 17.221 -1.119 1.00 0.00 N flip ATOM 1654 OXT GLN A 105 27.954 14.216 -1.727 1.00 0.00 O ATOM 0 H GLN A 105 27.739 16.550 0.479 1.00 0.00 H new ATOM 0 HA GLN A 105 29.080 17.236 -2.033 1.00 0.00 H new ATOM 0 HB2 GLN A 105 29.578 15.308 0.270 1.00 0.00 H new ATOM 0 HB3 GLN A 105 30.566 15.258 -1.176 1.00 0.00 H new ATOM 0 HG2 GLN A 105 30.088 17.912 0.235 1.00 0.00 H new ATOM 0 HG3 GLN A 105 31.307 16.810 0.844 1.00 0.00 H new ATOM 0 HE21 GLN A 105 33.228 16.615 -0.372 1.00 0.00 H new ATOM 0 HE22 GLN A 105 33.525 17.538 -1.850 1.00 0.00 H new