USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 958 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 28 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 96 GLN :FLIP amide:sc= 0.646 F(o=-0.88!,f=0.65) USER MOD Set 2.1: A 49 SER OG : rot 150:sc= 0 USER MOD Set 2.2: A 89 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.036) USER MOD Single : A 3 MET CE :methyl -144:sc= 0 (180deg=-1.54) USER MOD Single : A 5 MET CE :methyl 155:sc= -0.657 (180deg=-2.07!) USER MOD Single : A 7 MET CE :methyl 168:sc= -1.34 (180deg=-1.77) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -166:sc= 1.17 (180deg=1) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc=-0.00908 (180deg=-0.146) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 22 ASN : amide:sc= -0.0235 X(o=-0.023,f=-0.37) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 24 THR OG1 : rot 33:sc= -0.671 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 29 SER OG : rot 81:sc= 0.903 USER MOD Single : A 41 ASN : amide:sc= -1.85! C(o=-1.9!,f=-6.5!) USER MOD Single : A 44 TYR OH : rot -14:sc= 0.0984 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -24:sc= -0.983! USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -80:sc= -0.614 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=-0.00047) USER MOD Single : A 77 LYS NZ :NH3+ 169:sc= -0.0154 (180deg=-0.184) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0563 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS :FLIP no HD1:sc= -0.226 F(o=-3.1!,f=-0.23) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.15) USER MOD Single : A 98 HIS : no HD1:sc= -1.35 X(o=-1.4,f=-1.7) USER MOD Single : A 99 CYS SG : rot 180:sc= -1.18 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 104 SER OG : rot -14:sc= 0.465 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 160:sc= -0.0799 (180deg=-0.503) USER MOD Single : A 108 SER OG : rot -17:sc= 1.25 USER MOD Single : A 116 CYS SG : rot 51:sc= -2.8! USER MOD Single : A 117 SER OG : rot 180:sc= -0.331 USER MOD ----------------------------------------------------------------- ATOM 20 N MET A 3 9.588 -14.645 6.763 1.00 1.02 N ATOM 21 CA MET A 3 10.318 -13.384 6.748 1.00 0.92 C ATOM 22 C MET A 3 9.604 -12.355 5.874 1.00 0.65 C ATOM 23 O MET A 3 10.154 -11.861 4.888 1.00 0.82 O ATOM 24 CB MET A 3 11.755 -13.607 6.260 1.00 1.21 C ATOM 25 CG MET A 3 12.675 -12.413 6.483 1.00 1.47 C ATOM 26 SD MET A 3 12.843 -11.975 8.227 1.00 1.88 S ATOM 27 CE MET A 3 14.067 -10.669 8.128 1.00 2.83 C ATOM 0 HA MET A 3 10.355 -12.994 7.765 1.00 0.92 H new ATOM 0 HB2 MET A 3 12.171 -14.475 6.772 1.00 1.21 H new ATOM 0 HB3 MET A 3 11.734 -13.844 5.196 1.00 1.21 H new ATOM 0 HG2 MET A 3 13.660 -12.637 6.073 1.00 1.47 H new ATOM 0 HG3 MET A 3 12.289 -11.555 5.933 1.00 1.47 H new ATOM 0 HE1 MET A 3 14.727 -10.722 8.994 1.00 2.83 H new ATOM 0 HE2 MET A 3 14.653 -10.788 7.217 1.00 2.83 H new ATOM 0 HE3 MET A 3 13.566 -9.701 8.113 1.00 2.83 H new ATOM 37 N ALA A 4 8.371 -12.046 6.240 1.00 0.46 N ATOM 38 CA ALA A 4 7.605 -11.026 5.556 1.00 0.37 C ATOM 39 C ALA A 4 8.016 -9.647 6.065 1.00 0.34 C ATOM 40 O ALA A 4 7.724 -9.285 7.204 1.00 0.43 O ATOM 41 CB ALA A 4 6.119 -11.260 5.770 1.00 0.57 C ATOM 0 H ALA A 4 7.879 -12.493 7.014 1.00 0.46 H new ATOM 0 HA ALA A 4 7.808 -11.077 4.486 1.00 0.37 H new ATOM 0 HB1 ALA A 4 5.551 -10.488 5.252 1.00 0.57 H new ATOM 0 HB2 ALA A 4 5.844 -12.239 5.376 1.00 0.57 H new ATOM 0 HB3 ALA A 4 5.894 -11.222 6.836 1.00 0.57 H new ATOM 47 N MET A 5 8.700 -8.892 5.223 1.00 0.30 N ATOM 48 CA MET A 5 9.233 -7.592 5.610 1.00 0.33 C ATOM 49 C MET A 5 8.453 -6.461 4.954 1.00 0.34 C ATOM 50 O MET A 5 8.509 -6.293 3.738 1.00 0.34 O ATOM 51 CB MET A 5 10.704 -7.480 5.208 1.00 0.35 C ATOM 52 CG MET A 5 11.588 -8.559 5.802 1.00 0.63 C ATOM 53 SD MET A 5 13.341 -8.229 5.542 1.00 1.25 S ATOM 54 CE MET A 5 13.517 -6.669 6.406 1.00 0.90 C ATOM 0 H MET A 5 8.902 -9.157 4.259 1.00 0.30 H new ATOM 0 HA MET A 5 9.138 -7.506 6.692 1.00 0.33 H new ATOM 0 HB2 MET A 5 10.777 -7.522 4.121 1.00 0.35 H new ATOM 0 HB3 MET A 5 11.081 -6.505 5.516 1.00 0.35 H new ATOM 0 HG2 MET A 5 11.391 -8.639 6.871 1.00 0.63 H new ATOM 0 HG3 MET A 5 11.332 -9.521 5.357 1.00 0.63 H new ATOM 0 HE1 MET A 5 14.552 -6.545 6.726 1.00 0.90 H new ATOM 0 HE2 MET A 5 13.243 -5.851 5.740 1.00 0.90 H new ATOM 0 HE3 MET A 5 12.864 -6.661 7.278 1.00 0.90 H new ATOM 64 N PRO A 6 7.724 -5.662 5.755 1.00 0.41 N ATOM 65 CA PRO A 6 6.966 -4.507 5.253 1.00 0.46 C ATOM 66 C PRO A 6 7.825 -3.623 4.360 1.00 0.39 C ATOM 67 O PRO A 6 9.003 -3.411 4.630 1.00 0.38 O ATOM 68 CB PRO A 6 6.577 -3.762 6.530 1.00 0.58 C ATOM 69 CG PRO A 6 6.524 -4.817 7.579 1.00 0.61 C ATOM 70 CD PRO A 6 7.589 -5.815 7.215 1.00 0.49 C ATOM 0 HA PRO A 6 6.112 -4.799 4.642 1.00 0.46 H new ATOM 0 HB2 PRO A 6 7.308 -2.993 6.778 1.00 0.58 H new ATOM 0 HB3 PRO A 6 5.614 -3.263 6.420 1.00 0.58 H new ATOM 0 HG2 PRO A 6 6.706 -4.395 8.567 1.00 0.61 H new ATOM 0 HG3 PRO A 6 5.542 -5.288 7.610 1.00 0.61 H new ATOM 0 HD2 PRO A 6 8.527 -5.605 7.728 1.00 0.49 H new ATOM 0 HD3 PRO A 6 7.297 -6.830 7.486 1.00 0.49 H new ATOM 78 N MET A 7 7.221 -3.123 3.288 1.00 0.37 N ATOM 79 CA MET A 7 7.939 -2.360 2.277 1.00 0.32 C ATOM 80 C MET A 7 8.563 -1.109 2.861 1.00 0.29 C ATOM 81 O MET A 7 9.607 -0.671 2.399 1.00 0.28 O ATOM 82 CB MET A 7 7.018 -1.994 1.121 1.00 0.40 C ATOM 83 CG MET A 7 6.432 -3.191 0.399 1.00 0.37 C ATOM 84 SD MET A 7 5.385 -2.726 -0.991 1.00 1.39 S ATOM 85 CE MET A 7 6.592 -2.007 -2.100 1.00 0.77 C ATOM 0 H MET A 7 6.225 -3.235 3.097 1.00 0.37 H new ATOM 0 HA MET A 7 8.742 -2.994 1.902 1.00 0.32 H new ATOM 0 HB2 MET A 7 6.204 -1.376 1.500 1.00 0.40 H new ATOM 0 HB3 MET A 7 7.573 -1.387 0.406 1.00 0.40 H new ATOM 0 HG2 MET A 7 7.243 -3.826 0.041 1.00 0.37 H new ATOM 0 HG3 MET A 7 5.850 -3.785 1.104 1.00 0.37 H new ATOM 0 HE1 MET A 7 6.144 -1.866 -3.084 1.00 0.77 H new ATOM 0 HE2 MET A 7 6.917 -1.043 -1.708 1.00 0.77 H new ATOM 0 HE3 MET A 7 7.451 -2.673 -2.184 1.00 0.77 H new ATOM 95 N ILE A 8 7.928 -0.539 3.876 1.00 0.30 N ATOM 96 CA ILE A 8 8.516 0.585 4.588 1.00 0.27 C ATOM 97 C ILE A 8 9.810 0.133 5.258 1.00 0.30 C ATOM 98 O ILE A 8 10.863 0.723 5.045 1.00 0.34 O ATOM 99 CB ILE A 8 7.545 1.175 5.637 1.00 0.29 C ATOM 100 CG1 ILE A 8 6.267 1.673 4.954 1.00 0.29 C ATOM 101 CG2 ILE A 8 8.205 2.307 6.415 1.00 0.38 C ATOM 102 CD1 ILE A 8 6.501 2.774 3.939 1.00 0.36 C ATOM 0 H ILE A 8 7.015 -0.833 4.222 1.00 0.30 H new ATOM 0 HA ILE A 8 8.727 1.374 3.867 1.00 0.27 H new ATOM 0 HB ILE A 8 7.284 0.386 6.342 1.00 0.29 H new ATOM 0 HG12 ILE A 8 5.781 0.833 4.458 1.00 0.29 H new ATOM 0 HG13 ILE A 8 5.577 2.036 5.716 1.00 0.29 H new ATOM 0 HG21 ILE A 8 7.501 2.705 7.146 1.00 0.38 H new ATOM 0 HG22 ILE A 8 9.088 1.928 6.930 1.00 0.38 H new ATOM 0 HG23 ILE A 8 8.499 3.099 5.726 1.00 0.38 H new ATOM 0 HD11 ILE A 8 5.549 3.072 3.500 1.00 0.36 H new ATOM 0 HD12 ILE A 8 6.958 3.632 4.432 1.00 0.36 H new ATOM 0 HD13 ILE A 8 7.165 2.411 3.154 1.00 0.36 H new ATOM 114 N GLU A 9 9.714 -0.964 6.012 1.00 0.32 N ATOM 115 CA GLU A 9 10.870 -1.588 6.665 1.00 0.39 C ATOM 116 C GLU A 9 11.967 -1.901 5.642 1.00 0.34 C ATOM 117 O GLU A 9 13.154 -1.680 5.891 1.00 0.37 O ATOM 118 CB GLU A 9 10.413 -2.886 7.351 1.00 0.53 C ATOM 119 CG GLU A 9 11.537 -3.724 7.937 1.00 0.66 C ATOM 120 CD GLU A 9 11.910 -3.315 9.345 1.00 0.87 C ATOM 121 OE1 GLU A 9 12.592 -2.279 9.501 1.00 1.67 O ATOM 122 OE2 GLU A 9 11.507 -4.003 10.298 1.00 1.20 O ATOM 0 H GLU A 9 8.833 -1.446 6.188 1.00 0.32 H new ATOM 0 HA GLU A 9 11.279 -0.898 7.403 1.00 0.39 H new ATOM 0 HB2 GLU A 9 9.713 -2.633 8.148 1.00 0.53 H new ATOM 0 HB3 GLU A 9 9.867 -3.491 6.627 1.00 0.53 H new ATOM 0 HG2 GLU A 9 11.239 -4.772 7.937 1.00 0.66 H new ATOM 0 HG3 GLU A 9 12.415 -3.642 7.297 1.00 0.66 H new ATOM 129 N TYR A 10 11.549 -2.404 4.489 1.00 0.33 N ATOM 130 CA TYR A 10 12.459 -2.753 3.408 1.00 0.33 C ATOM 131 C TYR A 10 13.207 -1.510 2.917 1.00 0.33 C ATOM 132 O TYR A 10 14.434 -1.523 2.786 1.00 0.40 O ATOM 133 CB TYR A 10 11.677 -3.398 2.259 1.00 0.37 C ATOM 134 CG TYR A 10 12.545 -4.123 1.251 1.00 0.45 C ATOM 135 CD1 TYR A 10 13.058 -3.451 0.148 1.00 0.50 C ATOM 136 CD2 TYR A 10 12.853 -5.470 1.401 1.00 0.56 C ATOM 137 CE1 TYR A 10 13.853 -4.100 -0.777 1.00 0.60 C ATOM 138 CE2 TYR A 10 13.647 -6.126 0.478 1.00 0.67 C ATOM 139 CZ TYR A 10 14.132 -5.473 -0.592 1.00 0.68 C ATOM 140 OH TYR A 10 14.937 -6.080 -1.530 1.00 0.80 O ATOM 0 H TYR A 10 10.567 -2.582 4.277 1.00 0.33 H new ATOM 0 HA TYR A 10 13.193 -3.468 3.780 1.00 0.33 H new ATOM 0 HB2 TYR A 10 10.956 -4.102 2.675 1.00 0.37 H new ATOM 0 HB3 TYR A 10 11.107 -2.625 1.743 1.00 0.37 H new ATOM 0 HD1 TYR A 10 12.831 -2.404 0.012 1.00 0.50 H new ATOM 0 HD2 TYR A 10 12.466 -6.013 2.251 1.00 0.56 H new ATOM 0 HE1 TYR A 10 14.254 -3.567 -1.627 1.00 0.60 H new ATOM 0 HE2 TYR A 10 13.879 -7.171 0.618 1.00 0.67 H new ATOM 0 HH TYR A 10 15.058 -7.024 -1.295 1.00 0.80 H new ATOM 150 N LEU A 11 12.461 -0.435 2.666 1.00 0.33 N ATOM 151 CA LEU A 11 13.047 0.819 2.196 1.00 0.40 C ATOM 152 C LEU A 11 13.975 1.406 3.249 1.00 0.41 C ATOM 153 O LEU A 11 15.065 1.883 2.929 1.00 0.51 O ATOM 154 CB LEU A 11 11.962 1.839 1.829 1.00 0.47 C ATOM 155 CG LEU A 11 10.911 1.360 0.823 1.00 0.82 C ATOM 156 CD1 LEU A 11 10.023 2.513 0.390 1.00 1.30 C ATOM 157 CD2 LEU A 11 11.563 0.704 -0.388 1.00 1.45 C ATOM 0 H LEU A 11 11.448 -0.408 2.781 1.00 0.33 H new ATOM 0 HA LEU A 11 13.624 0.595 1.299 1.00 0.40 H new ATOM 0 HB2 LEU A 11 11.451 2.143 2.743 1.00 0.47 H new ATOM 0 HB3 LEU A 11 12.447 2.727 1.424 1.00 0.47 H new ATOM 0 HG LEU A 11 10.293 0.611 1.317 1.00 0.82 H new ATOM 0 HD11 LEU A 11 9.283 2.154 -0.325 1.00 1.30 H new ATOM 0 HD12 LEU A 11 9.515 2.928 1.261 1.00 1.30 H new ATOM 0 HD13 LEU A 11 10.633 3.286 -0.077 1.00 1.30 H new ATOM 0 HD21 LEU A 11 10.791 0.375 -1.083 1.00 1.45 H new ATOM 0 HD22 LEU A 11 12.215 1.423 -0.884 1.00 1.45 H new ATOM 0 HD23 LEU A 11 12.150 -0.156 -0.064 1.00 1.45 H new ATOM 169 N GLU A 12 13.547 1.350 4.501 1.00 0.39 N ATOM 170 CA GLU A 12 14.333 1.883 5.604 1.00 0.50 C ATOM 171 C GLU A 12 15.672 1.161 5.722 1.00 0.53 C ATOM 172 O GLU A 12 16.731 1.786 5.711 1.00 0.61 O ATOM 173 CB GLU A 12 13.556 1.758 6.917 1.00 0.59 C ATOM 174 CG GLU A 12 12.222 2.485 6.900 1.00 0.65 C ATOM 175 CD GLU A 12 11.452 2.332 8.192 1.00 0.74 C ATOM 176 OE1 GLU A 12 10.998 1.208 8.485 1.00 0.90 O ATOM 177 OE2 GLU A 12 11.302 3.330 8.928 1.00 1.41 O ATOM 0 H GLU A 12 12.656 0.939 4.780 1.00 0.39 H new ATOM 0 HA GLU A 12 14.527 2.936 5.401 1.00 0.50 H new ATOM 0 HB2 GLU A 12 13.384 0.703 7.130 1.00 0.59 H new ATOM 0 HB3 GLU A 12 14.166 2.152 7.730 1.00 0.59 H new ATOM 0 HG2 GLU A 12 12.394 3.544 6.709 1.00 0.65 H new ATOM 0 HG3 GLU A 12 11.618 2.106 6.076 1.00 0.65 H new ATOM 184 N ARG A 13 15.623 -0.159 5.805 1.00 0.50 N ATOM 185 CA ARG A 13 16.823 -0.948 6.050 1.00 0.57 C ATOM 186 C ARG A 13 17.715 -1.050 4.816 1.00 0.60 C ATOM 187 O ARG A 13 18.916 -0.779 4.885 1.00 0.69 O ATOM 188 CB ARG A 13 16.442 -2.348 6.524 1.00 0.58 C ATOM 189 CG ARG A 13 15.698 -2.354 7.846 1.00 0.61 C ATOM 190 CD ARG A 13 15.298 -3.760 8.255 1.00 0.65 C ATOM 191 NE ARG A 13 16.451 -4.638 8.442 1.00 1.36 N ATOM 192 CZ ARG A 13 16.692 -5.319 9.564 1.00 1.54 C ATOM 193 NH1 ARG A 13 15.925 -5.144 10.630 1.00 1.16 N ATOM 194 NH2 ARG A 13 17.713 -6.160 9.627 1.00 2.57 N ATOM 0 H ARG A 13 14.768 -0.707 5.707 1.00 0.50 H new ATOM 0 HA ARG A 13 17.391 -0.433 6.825 1.00 0.57 H new ATOM 0 HB2 ARG A 13 15.822 -2.825 5.765 1.00 0.58 H new ATOM 0 HB3 ARG A 13 17.346 -2.949 6.621 1.00 0.58 H new ATOM 0 HG2 ARG A 13 16.327 -1.914 8.620 1.00 0.61 H new ATOM 0 HG3 ARG A 13 14.808 -1.730 7.766 1.00 0.61 H new ATOM 0 HD2 ARG A 13 14.725 -3.716 9.181 1.00 0.65 H new ATOM 0 HD3 ARG A 13 14.642 -4.184 7.494 1.00 0.65 H new ATOM 0 HE ARG A 13 17.110 -4.736 7.670 1.00 1.36 H new ATOM 0 HH11 ARG A 13 15.146 -4.486 10.595 1.00 1.16 H new ATOM 0 HH12 ARG A 13 16.113 -5.667 11.485 1.00 1.16 H new ATOM 0 HH21 ARG A 13 18.318 -6.289 8.816 1.00 2.57 H new ATOM 0 HH22 ARG A 13 17.894 -6.679 10.486 1.00 2.57 H new ATOM 208 N PHE A 14 17.134 -1.421 3.688 1.00 0.58 N ATOM 209 CA PHE A 14 17.925 -1.779 2.519 1.00 0.68 C ATOM 210 C PHE A 14 18.113 -0.610 1.561 1.00 0.75 C ATOM 211 O PHE A 14 19.236 -0.322 1.147 1.00 0.96 O ATOM 212 CB PHE A 14 17.276 -2.956 1.787 1.00 0.68 C ATOM 213 CG PHE A 14 17.137 -4.185 2.644 1.00 0.72 C ATOM 214 CD1 PHE A 14 18.232 -4.995 2.899 1.00 0.88 C ATOM 215 CD2 PHE A 14 15.915 -4.528 3.198 1.00 0.69 C ATOM 216 CE1 PHE A 14 18.111 -6.120 3.692 1.00 0.98 C ATOM 217 CE2 PHE A 14 15.787 -5.653 3.989 1.00 0.79 C ATOM 218 CZ PHE A 14 16.886 -6.450 4.237 1.00 0.93 C ATOM 0 H PHE A 14 16.125 -1.483 3.555 1.00 0.58 H new ATOM 0 HA PHE A 14 18.914 -2.065 2.876 1.00 0.68 H new ATOM 0 HB2 PHE A 14 16.290 -2.655 1.432 1.00 0.68 H new ATOM 0 HB3 PHE A 14 17.871 -3.200 0.907 1.00 0.68 H new ATOM 0 HD1 PHE A 14 19.192 -4.744 2.473 1.00 0.88 H new ATOM 0 HD2 PHE A 14 15.051 -3.908 3.009 1.00 0.69 H new ATOM 0 HE1 PHE A 14 18.974 -6.740 3.885 1.00 0.98 H new ATOM 0 HE2 PHE A 14 14.827 -5.909 4.413 1.00 0.79 H new ATOM 0 HZ PHE A 14 16.788 -7.330 4.856 1.00 0.93 H new ATOM 228 N SER A 15 17.028 0.059 1.216 1.00 0.69 N ATOM 229 CA SER A 15 17.068 1.088 0.183 1.00 0.83 C ATOM 230 C SER A 15 17.744 2.377 0.656 1.00 0.91 C ATOM 231 O SER A 15 18.656 2.879 -0.003 1.00 1.07 O ATOM 232 CB SER A 15 15.653 1.383 -0.312 1.00 0.81 C ATOM 233 OG SER A 15 15.060 0.220 -0.862 1.00 1.37 O ATOM 0 H SER A 15 16.109 -0.088 1.632 1.00 0.69 H new ATOM 0 HA SER A 15 17.673 0.698 -0.636 1.00 0.83 H new ATOM 0 HB2 SER A 15 15.044 1.752 0.513 1.00 0.81 H new ATOM 0 HB3 SER A 15 15.683 2.172 -1.064 1.00 0.81 H new ATOM 0 HG SER A 15 14.154 0.430 -1.171 1.00 1.37 H new ATOM 239 N LEU A 16 17.312 2.902 1.793 1.00 0.84 N ATOM 240 CA LEU A 16 17.756 4.220 2.238 1.00 0.95 C ATOM 241 C LEU A 16 18.822 4.140 3.321 1.00 0.98 C ATOM 242 O LEU A 16 19.567 5.100 3.536 1.00 1.12 O ATOM 243 CB LEU A 16 16.567 5.010 2.772 1.00 0.94 C ATOM 244 CG LEU A 16 15.424 5.192 1.784 1.00 0.99 C ATOM 245 CD1 LEU A 16 14.228 5.811 2.481 1.00 0.95 C ATOM 246 CD2 LEU A 16 15.872 6.047 0.610 1.00 1.22 C ATOM 0 H LEU A 16 16.657 2.440 2.424 1.00 0.84 H new ATOM 0 HA LEU A 16 18.194 4.719 1.373 1.00 0.95 H new ATOM 0 HB2 LEU A 16 16.184 4.507 3.660 1.00 0.94 H new ATOM 0 HB3 LEU A 16 16.915 5.993 3.088 1.00 0.94 H new ATOM 0 HG LEU A 16 15.129 4.216 1.398 1.00 0.99 H new ATOM 0 HD11 LEU A 16 13.415 5.937 1.766 1.00 0.95 H new ATOM 0 HD12 LEU A 16 13.901 5.159 3.291 1.00 0.95 H new ATOM 0 HD13 LEU A 16 14.507 6.783 2.888 1.00 0.95 H new ATOM 0 HD21 LEU A 16 15.044 6.169 -0.088 1.00 1.22 H new ATOM 0 HD22 LEU A 16 16.188 7.025 0.972 1.00 1.22 H new ATOM 0 HD23 LEU A 16 16.706 5.561 0.103 1.00 1.22 H new ATOM 258 N LYS A 17 18.870 2.997 4.007 1.00 0.88 N ATOM 259 CA LYS A 17 19.755 2.786 5.158 1.00 0.96 C ATOM 260 C LYS A 17 19.304 3.651 6.333 1.00 1.01 C ATOM 261 O LYS A 17 19.991 3.756 7.348 1.00 1.13 O ATOM 262 CB LYS A 17 21.224 3.092 4.823 1.00 1.12 C ATOM 263 CG LYS A 17 21.740 2.426 3.554 1.00 1.09 C ATOM 264 CD LYS A 17 21.513 0.925 3.559 1.00 1.00 C ATOM 265 CE LYS A 17 22.181 0.272 2.361 1.00 1.08 C ATOM 266 NZ LYS A 17 21.706 -1.116 2.149 1.00 1.20 N ATOM 0 H LYS A 17 18.294 2.186 3.780 1.00 0.88 H new ATOM 0 HA LYS A 17 19.689 1.732 5.428 1.00 0.96 H new ATOM 0 HB2 LYS A 17 21.343 4.171 4.725 1.00 1.12 H new ATOM 0 HB3 LYS A 17 21.846 2.778 5.661 1.00 1.12 H new ATOM 0 HG2 LYS A 17 21.243 2.864 2.688 1.00 1.09 H new ATOM 0 HG3 LYS A 17 22.805 2.630 3.446 1.00 1.09 H new ATOM 0 HD2 LYS A 17 21.909 0.496 4.480 1.00 1.00 H new ATOM 0 HD3 LYS A 17 20.444 0.715 3.544 1.00 1.00 H new ATOM 0 HE2 LYS A 17 21.982 0.864 1.468 1.00 1.08 H new ATOM 0 HE3 LYS A 17 23.261 0.267 2.506 1.00 1.08 H new ATOM 0 HZ1 LYS A 17 22.342 -1.603 1.486 1.00 1.20 H new ATOM 0 HZ2 LYS A 17 21.698 -1.623 3.057 1.00 1.20 H new ATOM 0 HZ3 LYS A 17 20.744 -1.097 1.755 1.00 1.20 H new ATOM 280 N ALA A 18 18.127 4.242 6.190 1.00 0.97 N ATOM 281 CA ALA A 18 17.576 5.143 7.183 1.00 1.05 C ATOM 282 C ALA A 18 16.067 4.982 7.229 1.00 0.85 C ATOM 283 O ALA A 18 15.447 4.649 6.221 1.00 0.93 O ATOM 284 CB ALA A 18 17.949 6.582 6.851 1.00 1.21 C ATOM 0 H ALA A 18 17.527 4.107 5.376 1.00 0.97 H new ATOM 0 HA ALA A 18 17.990 4.899 8.162 1.00 1.05 H new ATOM 0 HB1 ALA A 18 17.530 7.250 7.604 1.00 1.21 H new ATOM 0 HB2 ALA A 18 19.034 6.683 6.840 1.00 1.21 H new ATOM 0 HB3 ALA A 18 17.550 6.844 5.871 1.00 1.21 H new ATOM 290 N LYS A 19 15.490 5.215 8.399 1.00 0.94 N ATOM 291 CA LYS A 19 14.069 5.033 8.617 1.00 0.87 C ATOM 292 C LYS A 19 13.242 6.035 7.813 1.00 0.66 C ATOM 293 O LYS A 19 13.677 7.163 7.568 1.00 0.72 O ATOM 294 CB LYS A 19 13.755 5.159 10.113 1.00 1.18 C ATOM 295 CG LYS A 19 14.055 6.524 10.728 1.00 1.36 C ATOM 296 CD LYS A 19 15.537 6.710 11.025 1.00 1.62 C ATOM 297 CE LYS A 19 16.043 5.703 12.049 1.00 1.96 C ATOM 298 NZ LYS A 19 15.356 5.838 13.360 1.00 2.32 N ATOM 0 H LYS A 19 15.998 5.536 9.223 1.00 0.94 H new ATOM 0 HA LYS A 19 13.798 4.035 8.272 1.00 0.87 H new ATOM 0 HB2 LYS A 19 12.700 4.933 10.267 1.00 1.18 H new ATOM 0 HB3 LYS A 19 14.325 4.402 10.652 1.00 1.18 H new ATOM 0 HG2 LYS A 19 13.722 7.308 10.048 1.00 1.36 H new ATOM 0 HG3 LYS A 19 13.485 6.638 11.650 1.00 1.36 H new ATOM 0 HD2 LYS A 19 16.108 6.607 10.102 1.00 1.62 H new ATOM 0 HD3 LYS A 19 15.709 7.721 11.395 1.00 1.62 H new ATOM 0 HE2 LYS A 19 15.895 4.693 11.666 1.00 1.96 H new ATOM 0 HE3 LYS A 19 17.116 5.837 12.188 1.00 1.96 H new ATOM 0 HZ1 LYS A 19 15.854 5.268 14.073 1.00 2.32 H new ATOM 0 HZ2 LYS A 19 15.358 6.836 13.652 1.00 2.32 H new ATOM 0 HZ3 LYS A 19 14.375 5.504 13.274 1.00 2.32 H new ATOM 312 N ILE A 20 12.050 5.610 7.410 1.00 0.55 N ATOM 313 CA ILE A 20 11.154 6.453 6.637 1.00 0.46 C ATOM 314 C ILE A 20 10.190 7.188 7.558 1.00 0.53 C ATOM 315 O ILE A 20 9.453 6.569 8.328 1.00 0.66 O ATOM 316 CB ILE A 20 10.330 5.653 5.600 1.00 0.51 C ATOM 317 CG1 ILE A 20 11.229 5.089 4.489 1.00 0.43 C ATOM 318 CG2 ILE A 20 9.221 6.520 5.010 1.00 0.70 C ATOM 319 CD1 ILE A 20 10.481 4.818 3.202 1.00 0.77 C ATOM 0 H ILE A 20 11.682 4.680 7.609 1.00 0.55 H new ATOM 0 HA ILE A 20 11.786 7.160 6.100 1.00 0.46 H new ATOM 0 HB ILE A 20 9.871 4.810 6.116 1.00 0.51 H new ATOM 0 HG12 ILE A 20 12.037 5.793 4.291 1.00 0.43 H new ATOM 0 HG13 ILE A 20 11.689 4.164 4.837 1.00 0.43 H new ATOM 0 HG21 ILE A 20 8.653 5.939 4.283 1.00 0.70 H new ATOM 0 HG22 ILE A 20 8.557 6.853 5.807 1.00 0.70 H new ATOM 0 HG23 ILE A 20 9.660 7.388 4.518 1.00 0.70 H new ATOM 0 HD11 ILE A 20 11.171 4.421 2.457 1.00 0.77 H new ATOM 0 HD12 ILE A 20 9.690 4.092 3.387 1.00 0.77 H new ATOM 0 HD13 ILE A 20 10.043 5.746 2.833 1.00 0.77 H new ATOM 331 N ASN A 21 10.197 8.504 7.463 1.00 0.51 N ATOM 332 CA ASN A 21 9.302 9.341 8.246 1.00 0.59 C ATOM 333 C ASN A 21 8.727 10.440 7.373 1.00 0.67 C ATOM 334 O ASN A 21 8.839 10.388 6.148 1.00 0.69 O ATOM 335 CB ASN A 21 10.033 9.967 9.442 1.00 0.63 C ATOM 336 CG ASN A 21 10.305 8.978 10.558 1.00 1.26 C ATOM 337 OD1 ASN A 21 11.337 8.314 10.579 1.00 2.19 O ATOM 338 ND2 ASN A 21 9.381 8.884 11.503 1.00 1.85 N ATOM 0 H ASN A 21 10.820 9.023 6.844 1.00 0.51 H new ATOM 0 HA ASN A 21 8.497 8.712 8.625 1.00 0.59 H new ATOM 0 HB2 ASN A 21 10.978 10.390 9.101 1.00 0.63 H new ATOM 0 HB3 ASN A 21 9.437 10.792 9.833 1.00 0.63 H new ATOM 0 HD21 ASN A 21 9.514 8.242 12.284 1.00 1.85 H new ATOM 0 HD22 ASN A 21 8.537 9.454 11.449 1.00 1.85 H new ATOM 345 N ASN A 22 8.133 11.445 7.997 1.00 0.78 N ATOM 346 CA ASN A 22 7.631 12.607 7.269 1.00 0.97 C ATOM 347 C ASN A 22 8.795 13.441 6.725 1.00 0.99 C ATOM 348 O ASN A 22 8.601 14.389 5.965 1.00 1.18 O ATOM 349 CB ASN A 22 6.743 13.461 8.185 1.00 1.13 C ATOM 350 CG ASN A 22 7.489 13.998 9.395 1.00 1.38 C ATOM 351 OD1 ASN A 22 7.596 13.326 10.421 1.00 1.80 O ATOM 352 ND2 ASN A 22 7.988 15.220 9.293 1.00 2.01 N ATOM 0 H ASN A 22 7.985 11.483 9.006 1.00 0.78 H new ATOM 0 HA ASN A 22 7.033 12.260 6.426 1.00 0.97 H new ATOM 0 HB2 ASN A 22 6.337 14.296 7.614 1.00 1.13 H new ATOM 0 HB3 ASN A 22 5.896 12.864 8.522 1.00 1.13 H new ATOM 0 HD21 ASN A 22 8.482 15.637 10.082 1.00 2.01 H new ATOM 0 HD22 ASN A 22 7.878 15.745 8.425 1.00 2.01 H new ATOM 359 N THR A 23 10.005 13.066 7.115 1.00 0.90 N ATOM 360 CA THR A 23 11.206 13.765 6.697 1.00 1.04 C ATOM 361 C THR A 23 11.745 13.222 5.371 1.00 0.91 C ATOM 362 O THR A 23 12.442 13.925 4.642 1.00 0.91 O ATOM 363 CB THR A 23 12.292 13.643 7.779 1.00 1.27 C ATOM 364 OG1 THR A 23 12.382 12.279 8.216 1.00 1.39 O ATOM 365 CG2 THR A 23 11.984 14.541 8.969 1.00 1.78 C ATOM 0 H THR A 23 10.179 12.270 7.729 1.00 0.90 H new ATOM 0 HA THR A 23 10.942 14.813 6.553 1.00 1.04 H new ATOM 0 HB THR A 23 13.242 13.959 7.349 1.00 1.27 H new ATOM 0 HG1 THR A 23 13.075 12.201 8.904 1.00 1.39 H new ATOM 0 HG21 THR A 23 12.769 14.434 9.718 1.00 1.78 H new ATOM 0 HG22 THR A 23 11.936 15.579 8.639 1.00 1.78 H new ATOM 0 HG23 THR A 23 11.026 14.254 9.403 1.00 1.78 H new ATOM 373 N THR A 24 11.415 11.975 5.056 1.00 0.92 N ATOM 374 CA THR A 24 11.929 11.341 3.852 1.00 0.90 C ATOM 375 C THR A 24 11.047 11.643 2.640 1.00 0.80 C ATOM 376 O THR A 24 9.873 11.276 2.614 1.00 1.03 O ATOM 377 CB THR A 24 12.045 9.816 4.043 1.00 1.18 C ATOM 378 OG1 THR A 24 10.843 9.303 4.628 1.00 1.68 O ATOM 379 CG2 THR A 24 13.232 9.469 4.927 1.00 1.42 C ATOM 0 H THR A 24 10.797 11.387 5.615 1.00 0.92 H new ATOM 0 HA THR A 24 12.921 11.754 3.668 1.00 0.90 H new ATOM 0 HB THR A 24 12.196 9.361 3.064 1.00 1.18 H new ATOM 0 HG1 THR A 24 10.078 9.832 4.320 1.00 1.68 H new ATOM 0 HG21 THR A 24 13.293 8.387 5.047 1.00 1.42 H new ATOM 0 HG22 THR A 24 14.149 9.835 4.465 1.00 1.42 H new ATOM 0 HG23 THR A 24 13.107 9.936 5.904 1.00 1.42 H new ATOM 387 N ASN A 25 11.629 12.288 1.628 1.00 0.71 N ATOM 388 CA ASN A 25 10.904 12.612 0.396 1.00 0.76 C ATOM 389 C ASN A 25 10.930 11.441 -0.574 1.00 0.77 C ATOM 390 O ASN A 25 11.211 11.594 -1.763 1.00 0.87 O ATOM 391 CB ASN A 25 11.492 13.853 -0.288 1.00 0.90 C ATOM 392 CG ASN A 25 10.938 15.154 0.263 1.00 1.23 C ATOM 393 OD1 ASN A 25 10.623 15.262 1.450 1.00 1.82 O ATOM 394 ND2 ASN A 25 10.800 16.146 -0.603 1.00 1.98 N ATOM 0 H ASN A 25 12.601 12.597 1.636 1.00 0.71 H new ATOM 0 HA ASN A 25 9.872 12.822 0.676 1.00 0.76 H new ATOM 0 HB2 ASN A 25 12.576 13.847 -0.169 1.00 0.90 H new ATOM 0 HB3 ASN A 25 11.288 13.802 -1.358 1.00 0.90 H new ATOM 0 HD21 ASN A 25 10.421 17.042 -0.296 1.00 1.98 H new ATOM 0 HD22 ASN A 25 11.073 16.015 -1.577 1.00 1.98 H new ATOM 401 N LEU A 26 10.629 10.264 -0.062 1.00 0.79 N ATOM 402 CA LEU A 26 10.611 9.067 -0.882 1.00 0.82 C ATOM 403 C LEU A 26 9.239 8.878 -1.505 1.00 0.74 C ATOM 404 O LEU A 26 8.985 7.890 -2.193 1.00 0.74 O ATOM 405 CB LEU A 26 11.010 7.839 -0.065 1.00 1.09 C ATOM 406 CG LEU A 26 12.519 7.600 0.065 1.00 1.55 C ATOM 407 CD1 LEU A 26 13.142 7.355 -1.301 1.00 2.31 C ATOM 408 CD2 LEU A 26 13.207 8.770 0.755 1.00 2.48 C ATOM 0 H LEU A 26 10.393 10.110 0.918 1.00 0.79 H new ATOM 0 HA LEU A 26 11.342 9.187 -1.682 1.00 0.82 H new ATOM 0 HB2 LEU A 26 10.587 7.935 0.935 1.00 1.09 H new ATOM 0 HB3 LEU A 26 10.557 6.958 -0.520 1.00 1.09 H new ATOM 0 HG LEU A 26 12.662 6.712 0.681 1.00 1.55 H new ATOM 0 HD11 LEU A 26 14.213 7.188 -1.188 1.00 2.31 H new ATOM 0 HD12 LEU A 26 12.684 6.478 -1.758 1.00 2.31 H new ATOM 0 HD13 LEU A 26 12.976 8.224 -1.938 1.00 2.31 H new ATOM 0 HD21 LEU A 26 14.276 8.570 0.832 1.00 2.48 H new ATOM 0 HD22 LEU A 26 13.049 9.679 0.174 1.00 2.48 H new ATOM 0 HD23 LEU A 26 12.790 8.900 1.753 1.00 2.48 H new ATOM 420 N ASP A 27 8.357 9.822 -1.231 1.00 0.78 N ATOM 421 CA ASP A 27 7.055 9.876 -1.870 1.00 0.89 C ATOM 422 C ASP A 27 7.217 10.201 -3.348 1.00 0.81 C ATOM 423 O ASP A 27 6.885 9.387 -4.202 1.00 0.99 O ATOM 424 CB ASP A 27 6.164 10.912 -1.178 1.00 1.04 C ATOM 425 CG ASP A 27 6.916 12.174 -0.807 1.00 1.41 C ATOM 426 OD1 ASP A 27 7.659 12.155 0.186 1.00 1.43 O ATOM 427 OD2 ASP A 27 6.748 13.194 -1.509 1.00 2.18 O ATOM 0 H ASP A 27 8.523 10.572 -0.560 1.00 0.78 H new ATOM 0 HA ASP A 27 6.573 8.902 -1.780 1.00 0.89 H new ATOM 0 HB2 ASP A 27 5.334 11.169 -1.836 1.00 1.04 H new ATOM 0 HB3 ASP A 27 5.734 10.472 -0.278 1.00 1.04 H new ATOM 432 N TYR A 28 7.780 11.366 -3.646 1.00 0.70 N ATOM 433 CA TYR A 28 8.049 11.754 -5.027 1.00 0.82 C ATOM 434 C TYR A 28 9.082 10.830 -5.663 1.00 0.69 C ATOM 435 O TYR A 28 9.195 10.757 -6.886 1.00 0.83 O ATOM 436 CB TYR A 28 8.529 13.206 -5.099 1.00 1.02 C ATOM 437 CG TYR A 28 7.547 14.189 -4.505 1.00 1.16 C ATOM 438 CD1 TYR A 28 6.199 14.146 -4.840 1.00 1.32 C ATOM 439 CD2 TYR A 28 7.971 15.166 -3.611 1.00 1.24 C ATOM 440 CE1 TYR A 28 5.304 15.050 -4.299 1.00 1.48 C ATOM 441 CE2 TYR A 28 7.082 16.071 -3.070 1.00 1.38 C ATOM 442 CZ TYR A 28 5.731 15.984 -3.408 1.00 1.47 C ATOM 443 OH TYR A 28 4.866 16.916 -2.877 1.00 1.64 O ATOM 0 H TYR A 28 8.059 12.059 -2.951 1.00 0.70 H new ATOM 0 HA TYR A 28 7.116 11.665 -5.584 1.00 0.82 H new ATOM 0 HB2 TYR A 28 9.481 13.293 -4.576 1.00 1.02 H new ATOM 0 HB3 TYR A 28 8.712 13.470 -6.141 1.00 1.02 H new ATOM 0 HD1 TYR A 28 5.846 13.396 -5.532 1.00 1.32 H new ATOM 0 HD2 TYR A 28 9.014 15.217 -3.336 1.00 1.24 H new ATOM 0 HE1 TYR A 28 4.263 15.014 -4.585 1.00 1.48 H new ATOM 0 HE2 TYR A 28 7.427 16.838 -2.393 1.00 1.38 H new ATOM 0 HH TYR A 28 5.353 17.499 -2.258 1.00 1.64 H new ATOM 453 N SER A 29 9.819 10.106 -4.830 1.00 0.52 N ATOM 454 CA SER A 29 10.833 9.186 -5.321 1.00 0.50 C ATOM 455 C SER A 29 10.196 7.864 -5.705 1.00 0.43 C ATOM 456 O SER A 29 10.792 7.061 -6.419 1.00 0.43 O ATOM 457 CB SER A 29 11.904 8.943 -4.261 1.00 0.53 C ATOM 458 OG SER A 29 12.495 10.165 -3.840 1.00 0.61 O ATOM 0 H SER A 29 9.733 10.139 -3.814 1.00 0.52 H new ATOM 0 HA SER A 29 11.301 9.634 -6.198 1.00 0.50 H new ATOM 0 HB2 SER A 29 11.463 8.435 -3.404 1.00 0.53 H new ATOM 0 HB3 SER A 29 12.673 8.283 -4.662 1.00 0.53 H new ATOM 0 HG SER A 29 11.915 10.598 -3.179 1.00 0.61 H new ATOM 464 N ARG A 30 8.971 7.656 -5.238 1.00 0.42 N ATOM 465 CA ARG A 30 8.262 6.398 -5.452 1.00 0.40 C ATOM 466 C ARG A 30 8.108 6.085 -6.933 1.00 0.38 C ATOM 467 O ARG A 30 8.116 4.925 -7.327 1.00 0.39 O ATOM 468 CB ARG A 30 6.897 6.419 -4.766 1.00 0.43 C ATOM 469 CG ARG A 30 6.790 5.414 -3.639 1.00 0.49 C ATOM 470 CD ARG A 30 6.277 6.058 -2.364 1.00 0.73 C ATOM 471 NE ARG A 30 6.282 5.125 -1.237 1.00 1.07 N ATOM 472 CZ ARG A 30 7.109 5.221 -0.196 1.00 1.18 C ATOM 473 NH1 ARG A 30 8.031 6.177 -0.164 1.00 1.25 N ATOM 474 NH2 ARG A 30 7.027 4.352 0.806 1.00 1.86 N ATOM 0 H ARG A 30 8.444 8.347 -4.705 1.00 0.42 H new ATOM 0 HA ARG A 30 8.864 5.606 -5.005 1.00 0.40 H new ATOM 0 HB2 ARG A 30 6.708 7.418 -4.374 1.00 0.43 H new ATOM 0 HB3 ARG A 30 6.122 6.214 -5.504 1.00 0.43 H new ATOM 0 HG2 ARG A 30 6.121 4.606 -3.934 1.00 0.49 H new ATOM 0 HG3 ARG A 30 7.767 4.968 -3.454 1.00 0.49 H new ATOM 0 HD2 ARG A 30 6.894 6.923 -2.121 1.00 0.73 H new ATOM 0 HD3 ARG A 30 5.264 6.425 -2.526 1.00 0.73 H new ATOM 0 HE ARG A 30 5.613 4.355 -1.249 1.00 1.07 H new ATOM 0 HH11 ARG A 30 8.107 6.839 -0.937 1.00 1.25 H new ATOM 0 HH12 ARG A 30 8.663 6.249 0.633 1.00 1.25 H new ATOM 0 HH21 ARG A 30 6.329 3.608 0.780 1.00 1.86 H new ATOM 0 HH22 ARG A 30 7.662 4.429 1.601 1.00 1.86 H new ATOM 488 N ARG A 31 7.997 7.119 -7.752 1.00 0.39 N ATOM 489 CA ARG A 31 7.847 6.929 -9.187 1.00 0.43 C ATOM 490 C ARG A 31 9.129 6.347 -9.799 1.00 0.42 C ATOM 491 O ARG A 31 9.096 5.704 -10.848 1.00 0.51 O ATOM 492 CB ARG A 31 7.490 8.254 -9.860 1.00 0.55 C ATOM 493 CG ARG A 31 7.073 8.110 -11.313 1.00 1.16 C ATOM 494 CD ARG A 31 6.741 9.455 -11.928 1.00 1.92 C ATOM 495 NE ARG A 31 6.126 9.321 -13.246 1.00 2.67 N ATOM 496 CZ ARG A 31 5.812 10.356 -14.022 1.00 3.57 C ATOM 497 NH1 ARG A 31 6.180 11.580 -13.670 1.00 3.96 N ATOM 498 NH2 ARG A 31 5.155 10.168 -15.159 1.00 4.35 N ATOM 0 H ARG A 31 8.008 8.093 -7.450 1.00 0.39 H new ATOM 0 HA ARG A 31 7.038 6.219 -9.356 1.00 0.43 H new ATOM 0 HB2 ARG A 31 6.680 8.727 -9.304 1.00 0.55 H new ATOM 0 HB3 ARG A 31 8.349 8.923 -9.803 1.00 0.55 H new ATOM 0 HG2 ARG A 31 7.876 7.638 -11.879 1.00 1.16 H new ATOM 0 HG3 ARG A 31 6.206 7.453 -11.381 1.00 1.16 H new ATOM 0 HD2 ARG A 31 6.066 9.998 -11.267 1.00 1.92 H new ATOM 0 HD3 ARG A 31 7.651 10.049 -12.012 1.00 1.92 H new ATOM 0 HE ARG A 31 5.926 8.382 -13.591 1.00 2.67 H new ATOM 0 HH11 ARG A 31 6.702 11.727 -12.806 1.00 3.96 H new ATOM 0 HH12 ARG A 31 5.941 12.375 -14.263 1.00 3.96 H new ATOM 0 HH21 ARG A 31 4.887 9.226 -15.443 1.00 4.35 H new ATOM 0 HH22 ARG A 31 4.918 10.966 -15.749 1.00 4.35 H new ATOM 512 N PHE A 32 10.263 6.569 -9.141 1.00 0.39 N ATOM 513 CA PHE A 32 11.528 5.987 -9.590 1.00 0.42 C ATOM 514 C PHE A 32 11.810 4.726 -8.794 1.00 0.40 C ATOM 515 O PHE A 32 12.726 3.963 -9.105 1.00 0.47 O ATOM 516 CB PHE A 32 12.696 6.969 -9.420 1.00 0.53 C ATOM 517 CG PHE A 32 12.308 8.419 -9.478 1.00 1.08 C ATOM 518 CD1 PHE A 32 11.926 9.013 -10.670 1.00 2.08 C ATOM 519 CD2 PHE A 32 12.337 9.190 -8.330 1.00 1.15 C ATOM 520 CE1 PHE A 32 11.575 10.349 -10.710 1.00 3.15 C ATOM 521 CE2 PHE A 32 11.988 10.523 -8.361 1.00 2.18 C ATOM 522 CZ PHE A 32 11.605 11.107 -9.552 1.00 3.19 C ATOM 0 H PHE A 32 10.334 7.143 -8.301 1.00 0.39 H new ATOM 0 HA PHE A 32 11.436 5.754 -10.651 1.00 0.42 H new ATOM 0 HB2 PHE A 32 13.181 6.774 -8.463 1.00 0.53 H new ATOM 0 HB3 PHE A 32 13.434 6.773 -10.197 1.00 0.53 H new ATOM 0 HD1 PHE A 32 11.902 8.426 -11.576 1.00 2.08 H new ATOM 0 HD2 PHE A 32 12.638 8.741 -7.395 1.00 1.15 H new ATOM 0 HE1 PHE A 32 11.277 10.802 -11.644 1.00 3.15 H new ATOM 0 HE2 PHE A 32 12.014 11.110 -7.455 1.00 2.18 H new ATOM 0 HZ PHE A 32 11.330 12.151 -9.580 1.00 3.19 H new ATOM 532 N LEU A 33 11.016 4.522 -7.759 1.00 0.34 N ATOM 533 CA LEU A 33 11.057 3.291 -6.994 1.00 0.34 C ATOM 534 C LEU A 33 10.176 2.255 -7.688 1.00 0.32 C ATOM 535 O LEU A 33 10.296 1.055 -7.446 1.00 0.37 O ATOM 536 CB LEU A 33 10.590 3.543 -5.554 1.00 0.34 C ATOM 537 CG LEU A 33 11.398 4.586 -4.778 1.00 0.39 C ATOM 538 CD1 LEU A 33 10.854 4.739 -3.367 1.00 0.39 C ATOM 539 CD2 LEU A 33 12.872 4.207 -4.746 1.00 0.47 C ATOM 0 H LEU A 33 10.330 5.200 -7.427 1.00 0.34 H new ATOM 0 HA LEU A 33 12.079 2.915 -6.945 1.00 0.34 H new ATOM 0 HB2 LEU A 33 9.547 3.859 -5.578 1.00 0.34 H new ATOM 0 HB3 LEU A 33 10.625 2.600 -5.008 1.00 0.34 H new ATOM 0 HG LEU A 33 11.303 5.544 -5.289 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.440 5.484 -2.830 1.00 0.39 H new ATOM 0 HD12 LEU A 33 9.813 5.059 -3.411 1.00 0.39 H new ATOM 0 HD13 LEU A 33 10.918 3.783 -2.847 1.00 0.39 H new ATOM 0 HD21 LEU A 33 13.429 4.961 -4.190 1.00 0.47 H new ATOM 0 HD22 LEU A 33 12.988 3.238 -4.260 1.00 0.47 H new ATOM 0 HD23 LEU A 33 13.255 4.150 -5.765 1.00 0.47 H new ATOM 551 N GLU A 34 9.299 2.747 -8.570 1.00 0.30 N ATOM 552 CA GLU A 34 8.453 1.895 -9.408 1.00 0.29 C ATOM 553 C GLU A 34 9.264 0.836 -10.155 1.00 0.32 C ATOM 554 O GLU A 34 8.950 -0.349 -10.066 1.00 0.32 O ATOM 555 CB GLU A 34 7.668 2.730 -10.428 1.00 0.31 C ATOM 556 CG GLU A 34 6.366 3.279 -9.896 1.00 0.35 C ATOM 557 CD GLU A 34 5.577 4.040 -10.949 1.00 0.52 C ATOM 558 OE1 GLU A 34 4.807 3.409 -11.695 1.00 0.82 O ATOM 559 OE2 GLU A 34 5.717 5.280 -11.029 1.00 0.67 O ATOM 0 H GLU A 34 9.157 3.746 -8.722 1.00 0.30 H new ATOM 0 HA GLU A 34 7.760 1.392 -8.733 1.00 0.29 H new ATOM 0 HB2 GLU A 34 8.292 3.560 -10.761 1.00 0.31 H new ATOM 0 HB3 GLU A 34 7.461 2.115 -11.304 1.00 0.31 H new ATOM 0 HG2 GLU A 34 5.759 2.458 -9.516 1.00 0.35 H new ATOM 0 HG3 GLU A 34 6.572 3.940 -9.054 1.00 0.35 H new ATOM 566 N PRO A 35 10.317 1.233 -10.908 1.00 0.35 N ATOM 567 CA PRO A 35 11.132 0.284 -11.661 1.00 0.37 C ATOM 568 C PRO A 35 11.700 -0.840 -10.793 1.00 0.36 C ATOM 569 O PRO A 35 11.931 -1.950 -11.272 1.00 0.38 O ATOM 570 CB PRO A 35 12.263 1.141 -12.231 1.00 0.45 C ATOM 571 CG PRO A 35 11.680 2.501 -12.322 1.00 0.51 C ATOM 572 CD PRO A 35 10.765 2.623 -11.139 1.00 0.38 C ATOM 0 HA PRO A 35 10.540 -0.225 -12.422 1.00 0.37 H new ATOM 0 HB2 PRO A 35 13.139 1.126 -11.583 1.00 0.45 H new ATOM 0 HB3 PRO A 35 12.583 0.779 -13.208 1.00 0.45 H new ATOM 0 HG2 PRO A 35 12.458 3.264 -12.297 1.00 0.51 H new ATOM 0 HG3 PRO A 35 11.134 2.633 -13.256 1.00 0.51 H new ATOM 0 HD2 PRO A 35 11.284 3.028 -10.270 1.00 0.38 H new ATOM 0 HD3 PRO A 35 9.926 3.287 -11.347 1.00 0.38 H new ATOM 580 N PHE A 36 11.916 -0.549 -9.514 1.00 0.35 N ATOM 581 CA PHE A 36 12.467 -1.530 -8.583 1.00 0.38 C ATOM 582 C PHE A 36 11.363 -2.420 -8.020 1.00 0.34 C ATOM 583 O PHE A 36 11.560 -3.612 -7.792 1.00 0.43 O ATOM 584 CB PHE A 36 13.216 -0.817 -7.448 1.00 0.46 C ATOM 585 CG PHE A 36 13.873 -1.746 -6.460 1.00 0.52 C ATOM 586 CD1 PHE A 36 14.650 -2.810 -6.896 1.00 0.62 C ATOM 587 CD2 PHE A 36 13.705 -1.562 -5.097 1.00 0.64 C ATOM 588 CE1 PHE A 36 15.249 -3.666 -5.990 1.00 0.69 C ATOM 589 CE2 PHE A 36 14.302 -2.414 -4.188 1.00 0.72 C ATOM 590 CZ PHE A 36 15.095 -3.455 -4.637 1.00 0.70 C ATOM 0 H PHE A 36 11.718 0.360 -9.097 1.00 0.35 H new ATOM 0 HA PHE A 36 13.170 -2.164 -9.123 1.00 0.38 H new ATOM 0 HB2 PHE A 36 13.978 -0.169 -7.882 1.00 0.46 H new ATOM 0 HB3 PHE A 36 12.516 -0.174 -6.914 1.00 0.46 H new ATOM 0 HD1 PHE A 36 14.788 -2.971 -7.955 1.00 0.62 H new ATOM 0 HD2 PHE A 36 13.099 -0.742 -4.741 1.00 0.64 H new ATOM 0 HE1 PHE A 36 15.838 -4.500 -6.343 1.00 0.69 H new ATOM 0 HE2 PHE A 36 14.150 -2.268 -3.129 1.00 0.72 H new ATOM 0 HZ PHE A 36 15.592 -4.101 -3.929 1.00 0.70 H new ATOM 600 N LEU A 37 10.193 -1.832 -7.828 1.00 0.27 N ATOM 601 CA LEU A 37 9.065 -2.527 -7.218 1.00 0.26 C ATOM 602 C LEU A 37 8.265 -3.307 -8.258 1.00 0.25 C ATOM 603 O LEU A 37 7.317 -4.016 -7.925 1.00 0.30 O ATOM 604 CB LEU A 37 8.161 -1.515 -6.507 1.00 0.30 C ATOM 605 CG LEU A 37 8.577 -1.115 -5.081 1.00 0.39 C ATOM 606 CD1 LEU A 37 10.090 -1.109 -4.907 1.00 0.68 C ATOM 607 CD2 LEU A 37 8.021 0.256 -4.748 1.00 0.99 C ATOM 0 H LEU A 37 9.997 -0.865 -8.088 1.00 0.27 H new ATOM 0 HA LEU A 37 9.454 -3.242 -6.493 1.00 0.26 H new ATOM 0 HB2 LEU A 37 8.113 -0.612 -7.116 1.00 0.30 H new ATOM 0 HB3 LEU A 37 7.152 -1.926 -6.467 1.00 0.30 H new ATOM 0 HG LEU A 37 8.167 -1.860 -4.399 1.00 0.39 H new ATOM 0 HD11 LEU A 37 10.338 -0.821 -3.885 1.00 0.68 H new ATOM 0 HD12 LEU A 37 10.483 -2.105 -5.109 1.00 0.68 H new ATOM 0 HD13 LEU A 37 10.533 -0.396 -5.602 1.00 0.68 H new ATOM 0 HD21 LEU A 37 8.319 0.534 -3.737 1.00 0.99 H new ATOM 0 HD22 LEU A 37 8.411 0.988 -5.455 1.00 0.99 H new ATOM 0 HD23 LEU A 37 6.933 0.233 -4.812 1.00 0.99 H new ATOM 619 N ARG A 38 8.651 -3.170 -9.518 1.00 0.24 N ATOM 620 CA ARG A 38 7.973 -3.858 -10.606 1.00 0.27 C ATOM 621 C ARG A 38 8.213 -5.363 -10.523 1.00 0.25 C ATOM 622 O ARG A 38 9.305 -5.843 -10.830 1.00 0.36 O ATOM 623 CB ARG A 38 8.472 -3.337 -11.955 1.00 0.33 C ATOM 624 CG ARG A 38 7.586 -3.733 -13.126 1.00 1.01 C ATOM 625 CD ARG A 38 8.327 -3.633 -14.448 1.00 1.12 C ATOM 626 NE ARG A 38 9.281 -4.730 -14.614 1.00 1.86 N ATOM 627 CZ ARG A 38 10.131 -4.844 -15.635 1.00 2.37 C ATOM 628 NH1 ARG A 38 10.228 -3.878 -16.544 1.00 2.26 N ATOM 629 NH2 ARG A 38 10.901 -5.919 -15.726 1.00 3.39 N ATOM 0 H ARG A 38 9.434 -2.586 -9.813 1.00 0.24 H new ATOM 0 HA ARG A 38 6.904 -3.664 -10.516 1.00 0.27 H new ATOM 0 HB2 ARG A 38 8.540 -2.250 -11.913 1.00 0.33 H new ATOM 0 HB3 ARG A 38 9.480 -3.713 -12.130 1.00 0.33 H new ATOM 0 HG2 ARG A 38 7.230 -4.753 -12.984 1.00 1.01 H new ATOM 0 HG3 ARG A 38 6.707 -3.089 -13.152 1.00 1.01 H new ATOM 0 HD2 ARG A 38 7.611 -3.645 -15.269 1.00 1.12 H new ATOM 0 HD3 ARG A 38 8.854 -2.680 -14.499 1.00 1.12 H new ATOM 0 HE ARG A 38 9.297 -5.458 -13.899 1.00 1.86 H new ATOM 0 HH11 ARG A 38 9.650 -3.042 -16.463 1.00 2.26 H new ATOM 0 HH12 ARG A 38 10.881 -3.973 -17.322 1.00 2.26 H new ATOM 0 HH21 ARG A 38 10.841 -6.651 -15.018 1.00 3.39 H new ATOM 0 HH22 ARG A 38 11.554 -6.014 -16.504 1.00 3.39 H new ATOM 643 N GLY A 39 7.201 -6.098 -10.089 1.00 0.19 N ATOM 644 CA GLY A 39 7.294 -7.544 -10.066 1.00 0.23 C ATOM 645 C GLY A 39 7.683 -8.093 -8.712 1.00 0.22 C ATOM 646 O GLY A 39 8.396 -9.092 -8.628 1.00 0.30 O ATOM 0 H GLY A 39 6.316 -5.720 -9.752 1.00 0.19 H new ATOM 0 HA2 GLY A 39 6.334 -7.968 -10.361 1.00 0.23 H new ATOM 0 HA3 GLY A 39 8.026 -7.867 -10.806 1.00 0.23 H new ATOM 650 N ILE A 40 7.204 -7.461 -7.651 1.00 0.18 N ATOM 651 CA ILE A 40 7.502 -7.932 -6.298 1.00 0.19 C ATOM 652 C ILE A 40 6.263 -8.578 -5.694 1.00 0.20 C ATOM 653 O ILE A 40 5.182 -8.498 -6.272 1.00 0.23 O ATOM 654 CB ILE A 40 7.992 -6.797 -5.366 1.00 0.21 C ATOM 655 CG1 ILE A 40 6.895 -5.745 -5.162 1.00 0.20 C ATOM 656 CG2 ILE A 40 9.251 -6.157 -5.931 1.00 0.23 C ATOM 657 CD1 ILE A 40 7.273 -4.633 -4.201 1.00 0.20 C ATOM 0 H ILE A 40 6.614 -6.630 -7.694 1.00 0.18 H new ATOM 0 HA ILE A 40 8.310 -8.659 -6.383 1.00 0.19 H new ATOM 0 HB ILE A 40 8.228 -7.229 -4.394 1.00 0.21 H new ATOM 0 HG12 ILE A 40 6.644 -5.306 -6.128 1.00 0.20 H new ATOM 0 HG13 ILE A 40 5.997 -6.240 -4.793 1.00 0.20 H new ATOM 0 HG21 ILE A 40 9.584 -5.361 -5.266 1.00 0.23 H new ATOM 0 HG22 ILE A 40 10.035 -6.910 -6.017 1.00 0.23 H new ATOM 0 HG23 ILE A 40 9.037 -5.741 -6.916 1.00 0.23 H new ATOM 0 HD11 ILE A 40 6.444 -3.931 -4.112 1.00 0.20 H new ATOM 0 HD12 ILE A 40 7.495 -5.058 -3.222 1.00 0.20 H new ATOM 0 HD13 ILE A 40 8.152 -4.110 -4.577 1.00 0.20 H new ATOM 669 N ASN A 41 6.401 -9.218 -4.545 1.00 0.25 N ATOM 670 CA ASN A 41 5.256 -9.831 -3.900 1.00 0.25 C ATOM 671 C ASN A 41 5.073 -9.220 -2.526 1.00 0.25 C ATOM 672 O ASN A 41 6.038 -9.057 -1.774 1.00 0.38 O ATOM 673 CB ASN A 41 5.434 -11.354 -3.802 1.00 0.39 C ATOM 674 CG ASN A 41 6.206 -11.789 -2.568 1.00 1.43 C ATOM 675 OD1 ASN A 41 5.618 -12.099 -1.537 1.00 2.29 O ATOM 676 ND2 ASN A 41 7.524 -11.801 -2.663 1.00 2.16 N ATOM 0 H ASN A 41 7.284 -9.325 -4.046 1.00 0.25 H new ATOM 0 HA ASN A 41 4.364 -9.643 -4.498 1.00 0.25 H new ATOM 0 HB2 ASN A 41 4.453 -11.828 -3.794 1.00 0.39 H new ATOM 0 HB3 ASN A 41 5.953 -11.710 -4.692 1.00 0.39 H new ATOM 0 HD21 ASN A 41 8.091 -12.075 -1.860 1.00 2.16 H new ATOM 0 HD22 ASN A 41 7.975 -11.536 -3.539 1.00 2.16 H new ATOM 683 N VAL A 42 3.855 -8.833 -2.208 1.00 0.19 N ATOM 684 CA VAL A 42 3.586 -8.271 -0.905 1.00 0.20 C ATOM 685 C VAL A 42 2.375 -8.928 -0.278 1.00 0.18 C ATOM 686 O VAL A 42 1.339 -9.089 -0.916 1.00 0.19 O ATOM 687 CB VAL A 42 3.367 -6.741 -0.965 1.00 0.25 C ATOM 688 CG1 VAL A 42 4.641 -6.032 -1.390 1.00 0.31 C ATOM 689 CG2 VAL A 42 2.221 -6.386 -1.906 1.00 0.27 C ATOM 0 H VAL A 42 3.046 -8.897 -2.826 1.00 0.19 H new ATOM 0 HA VAL A 42 4.466 -8.464 -0.291 1.00 0.20 H new ATOM 0 HB VAL A 42 3.100 -6.403 0.036 1.00 0.25 H new ATOM 0 HG11 VAL A 42 4.465 -4.957 -1.426 1.00 0.31 H new ATOM 0 HG12 VAL A 42 5.433 -6.246 -0.673 1.00 0.31 H new ATOM 0 HG13 VAL A 42 4.941 -6.383 -2.377 1.00 0.31 H new ATOM 0 HG21 VAL A 42 2.090 -5.304 -1.928 1.00 0.27 H new ATOM 0 HG22 VAL A 42 2.450 -6.744 -2.910 1.00 0.27 H new ATOM 0 HG23 VAL A 42 1.302 -6.855 -1.554 1.00 0.27 H new ATOM 699 N VAL A 43 2.519 -9.314 0.970 1.00 0.18 N ATOM 700 CA VAL A 43 1.409 -9.799 1.749 1.00 0.18 C ATOM 701 C VAL A 43 0.752 -8.618 2.427 1.00 0.19 C ATOM 702 O VAL A 43 1.306 -8.038 3.367 1.00 0.29 O ATOM 703 CB VAL A 43 1.850 -10.829 2.813 1.00 0.23 C ATOM 704 CG1 VAL A 43 0.646 -11.369 3.573 1.00 0.79 C ATOM 705 CG2 VAL A 43 2.632 -11.962 2.166 1.00 0.70 C ATOM 0 H VAL A 43 3.408 -9.300 1.470 1.00 0.18 H new ATOM 0 HA VAL A 43 0.712 -10.305 1.081 1.00 0.18 H new ATOM 0 HB VAL A 43 2.503 -10.326 3.527 1.00 0.23 H new ATOM 0 HG11 VAL A 43 0.980 -12.092 4.317 1.00 0.79 H new ATOM 0 HG12 VAL A 43 0.132 -10.547 4.071 1.00 0.79 H new ATOM 0 HG13 VAL A 43 -0.037 -11.855 2.876 1.00 0.79 H new ATOM 0 HG21 VAL A 43 2.935 -12.678 2.930 1.00 0.70 H new ATOM 0 HG22 VAL A 43 2.005 -12.462 1.428 1.00 0.70 H new ATOM 0 HG23 VAL A 43 3.518 -11.559 1.675 1.00 0.70 H new ATOM 715 N TYR A 44 -0.401 -8.237 1.925 1.00 0.15 N ATOM 716 CA TYR A 44 -1.121 -7.110 2.466 1.00 0.19 C ATOM 717 C TYR A 44 -1.830 -7.534 3.739 1.00 0.21 C ATOM 718 O TYR A 44 -2.757 -8.347 3.706 1.00 0.29 O ATOM 719 CB TYR A 44 -2.122 -6.574 1.438 1.00 0.24 C ATOM 720 CG TYR A 44 -3.006 -5.473 1.970 1.00 0.29 C ATOM 721 CD1 TYR A 44 -2.547 -4.165 2.032 1.00 0.35 C ATOM 722 CD2 TYR A 44 -4.299 -5.738 2.398 1.00 0.38 C ATOM 723 CE1 TYR A 44 -3.352 -3.149 2.507 1.00 0.41 C ATOM 724 CE2 TYR A 44 -5.113 -4.728 2.872 1.00 0.44 C ATOM 725 CZ TYR A 44 -4.632 -3.460 2.977 1.00 0.42 C ATOM 726 OH TYR A 44 -5.443 -2.425 3.386 1.00 0.50 O ATOM 0 H TYR A 44 -0.861 -8.695 1.138 1.00 0.15 H new ATOM 0 HA TYR A 44 -0.420 -6.309 2.700 1.00 0.19 H new ATOM 0 HB2 TYR A 44 -1.575 -6.202 0.571 1.00 0.24 H new ATOM 0 HB3 TYR A 44 -2.749 -7.396 1.091 1.00 0.24 H new ATOM 0 HD1 TYR A 44 -1.544 -3.938 1.703 1.00 0.35 H new ATOM 0 HD2 TYR A 44 -4.675 -6.750 2.360 1.00 0.38 H new ATOM 0 HE1 TYR A 44 -2.998 -2.129 2.516 1.00 0.41 H new ATOM 0 HE2 TYR A 44 -6.131 -4.945 3.159 1.00 0.44 H new ATOM 0 HH TYR A 44 -4.907 -1.612 3.493 1.00 0.50 H new ATOM 736 N THR A 45 -1.361 -7.014 4.858 1.00 0.23 N ATOM 737 CA THR A 45 -1.932 -7.346 6.145 1.00 0.29 C ATOM 738 C THR A 45 -2.859 -6.228 6.606 1.00 0.27 C ATOM 739 O THR A 45 -2.403 -5.156 7.007 1.00 0.30 O ATOM 740 CB THR A 45 -0.829 -7.577 7.192 1.00 0.39 C ATOM 741 OG1 THR A 45 0.147 -8.486 6.663 1.00 1.25 O ATOM 742 CG2 THR A 45 -1.407 -8.146 8.478 1.00 1.13 C ATOM 0 H THR A 45 -0.582 -6.357 4.899 1.00 0.23 H new ATOM 0 HA THR A 45 -2.503 -8.268 6.039 1.00 0.29 H new ATOM 0 HB THR A 45 -0.363 -6.618 7.419 1.00 0.39 H new ATOM 0 HG1 THR A 45 0.852 -8.633 7.328 1.00 1.25 H new ATOM 0 HG21 THR A 45 -0.605 -8.299 9.201 1.00 1.13 H new ATOM 0 HG22 THR A 45 -2.137 -7.449 8.889 1.00 1.13 H new ATOM 0 HG23 THR A 45 -1.893 -9.099 8.268 1.00 1.13 H new ATOM 750 N PRO A 46 -4.175 -6.454 6.517 1.00 0.30 N ATOM 751 CA PRO A 46 -5.172 -5.471 6.925 1.00 0.33 C ATOM 752 C PRO A 46 -5.176 -5.263 8.434 1.00 0.32 C ATOM 753 O PRO A 46 -5.229 -6.225 9.206 1.00 0.35 O ATOM 754 CB PRO A 46 -6.502 -6.080 6.466 1.00 0.40 C ATOM 755 CG PRO A 46 -6.129 -7.179 5.531 1.00 0.43 C ATOM 756 CD PRO A 46 -4.800 -7.676 6.007 1.00 0.38 C ATOM 0 HA PRO A 46 -4.976 -4.490 6.493 1.00 0.33 H new ATOM 0 HB2 PRO A 46 -7.073 -6.461 7.313 1.00 0.40 H new ATOM 0 HB3 PRO A 46 -7.125 -5.336 5.970 1.00 0.40 H new ATOM 0 HG2 PRO A 46 -6.873 -7.975 5.545 1.00 0.43 H new ATOM 0 HG3 PRO A 46 -6.068 -6.817 4.505 1.00 0.43 H new ATOM 0 HD2 PRO A 46 -4.903 -8.434 6.783 1.00 0.38 H new ATOM 0 HD3 PRO A 46 -4.220 -8.123 5.200 1.00 0.38 H new ATOM 764 N PRO A 47 -5.096 -3.995 8.860 1.00 0.33 N ATOM 765 CA PRO A 47 -5.157 -3.607 10.274 1.00 0.37 C ATOM 766 C PRO A 47 -6.376 -4.200 10.978 1.00 0.40 C ATOM 767 O PRO A 47 -7.412 -4.447 10.359 1.00 0.41 O ATOM 768 CB PRO A 47 -5.269 -2.081 10.210 1.00 0.37 C ATOM 769 CG PRO A 47 -4.629 -1.707 8.921 1.00 0.48 C ATOM 770 CD PRO A 47 -4.926 -2.832 7.974 1.00 0.35 C ATOM 0 HA PRO A 47 -4.296 -3.964 10.839 1.00 0.37 H new ATOM 0 HB2 PRO A 47 -6.310 -1.759 10.243 1.00 0.37 H new ATOM 0 HB3 PRO A 47 -4.763 -1.611 11.054 1.00 0.37 H new ATOM 0 HG2 PRO A 47 -5.028 -0.765 8.546 1.00 0.48 H new ATOM 0 HG3 PRO A 47 -3.554 -1.572 9.043 1.00 0.48 H new ATOM 0 HD2 PRO A 47 -5.826 -2.638 7.390 1.00 0.35 H new ATOM 0 HD3 PRO A 47 -4.113 -2.984 7.264 1.00 0.35 H new ATOM 778 N GLN A 48 -6.240 -4.403 12.284 1.00 0.52 N ATOM 779 CA GLN A 48 -7.263 -5.071 13.090 1.00 0.63 C ATOM 780 C GLN A 48 -8.598 -4.334 13.050 1.00 0.57 C ATOM 781 O GLN A 48 -9.648 -4.916 13.320 1.00 0.68 O ATOM 782 CB GLN A 48 -6.790 -5.198 14.538 1.00 0.83 C ATOM 783 CG GLN A 48 -6.398 -3.872 15.165 1.00 0.89 C ATOM 784 CD GLN A 48 -6.028 -4.009 16.625 1.00 1.22 C ATOM 785 OE1 GLN A 48 -4.867 -4.242 16.964 1.00 1.54 O ATOM 786 NE2 GLN A 48 -7.007 -3.865 17.500 1.00 1.92 N ATOM 0 H GLN A 48 -5.420 -4.111 12.816 1.00 0.52 H new ATOM 0 HA GLN A 48 -7.417 -6.061 12.662 1.00 0.63 H new ATOM 0 HB2 GLN A 48 -7.583 -5.652 15.133 1.00 0.83 H new ATOM 0 HB3 GLN A 48 -5.937 -5.875 14.575 1.00 0.83 H new ATOM 0 HG2 GLN A 48 -5.555 -3.450 14.618 1.00 0.89 H new ATOM 0 HG3 GLN A 48 -7.225 -3.169 15.068 1.00 0.89 H new ATOM 0 HE21 GLN A 48 -7.955 -3.673 17.177 1.00 1.92 H new ATOM 0 HE22 GLN A 48 -6.815 -3.946 18.498 1.00 1.92 H new ATOM 795 N SER A 49 -8.553 -3.054 12.712 1.00 0.49 N ATOM 796 CA SER A 49 -9.756 -2.245 12.614 1.00 0.51 C ATOM 797 C SER A 49 -10.492 -2.493 11.291 1.00 0.51 C ATOM 798 O SER A 49 -11.600 -1.998 11.079 1.00 0.59 O ATOM 799 CB SER A 49 -9.385 -0.773 12.759 1.00 0.56 C ATOM 800 OG SER A 49 -8.746 -0.533 14.002 1.00 1.58 O ATOM 0 H SER A 49 -7.691 -2.552 12.500 1.00 0.49 H new ATOM 0 HA SER A 49 -10.435 -2.529 13.418 1.00 0.51 H new ATOM 0 HB2 SER A 49 -8.725 -0.478 11.943 1.00 0.56 H new ATOM 0 HB3 SER A 49 -10.282 -0.158 12.682 1.00 0.56 H new ATOM 0 HG SER A 49 -8.116 0.212 13.908 1.00 1.58 H new ATOM 806 N PHE A 50 -9.866 -3.265 10.407 1.00 0.47 N ATOM 807 CA PHE A 50 -10.470 -3.631 9.129 1.00 0.51 C ATOM 808 C PHE A 50 -11.235 -4.938 9.241 1.00 0.58 C ATOM 809 O PHE A 50 -12.318 -5.073 8.669 1.00 0.67 O ATOM 810 CB PHE A 50 -9.395 -3.794 8.054 1.00 0.49 C ATOM 811 CG PHE A 50 -8.930 -2.510 7.444 1.00 0.50 C ATOM 812 CD1 PHE A 50 -8.208 -1.603 8.200 1.00 0.50 C ATOM 813 CD2 PHE A 50 -9.214 -2.206 6.125 1.00 0.69 C ATOM 814 CE1 PHE A 50 -7.778 -0.413 7.650 1.00 0.57 C ATOM 815 CE2 PHE A 50 -8.786 -1.018 5.569 1.00 0.76 C ATOM 816 CZ PHE A 50 -8.069 -0.139 6.293 1.00 0.65 C ATOM 0 H PHE A 50 -8.934 -3.652 10.554 1.00 0.47 H new ATOM 0 HA PHE A 50 -11.156 -2.829 8.854 1.00 0.51 H new ATOM 0 HB2 PHE A 50 -8.537 -4.306 8.490 1.00 0.49 H new ATOM 0 HB3 PHE A 50 -9.783 -4.437 7.264 1.00 0.49 H new ATOM 0 HD1 PHE A 50 -7.979 -1.829 9.231 1.00 0.50 H new ATOM 0 HD2 PHE A 50 -9.776 -2.905 5.524 1.00 0.69 H new ATOM 0 HE1 PHE A 50 -7.227 0.299 8.247 1.00 0.57 H new ATOM 0 HE2 PHE A 50 -9.029 -0.791 4.541 1.00 0.76 H new ATOM 0 HZ PHE A 50 -7.716 0.775 5.838 1.00 0.65 H new ATOM 826 N GLN A 51 -10.671 -5.889 9.979 1.00 0.58 N ATOM 827 CA GLN A 51 -11.194 -7.251 10.019 1.00 0.67 C ATOM 828 C GLN A 51 -11.224 -7.833 8.611 1.00 0.65 C ATOM 829 O GLN A 51 -12.290 -8.086 8.040 1.00 0.88 O ATOM 830 CB GLN A 51 -12.588 -7.305 10.647 1.00 0.82 C ATOM 831 CG GLN A 51 -12.641 -6.772 12.064 1.00 0.94 C ATOM 832 CD GLN A 51 -14.003 -6.959 12.692 1.00 1.28 C ATOM 833 OE1 GLN A 51 -14.265 -7.972 13.341 1.00 1.77 O ATOM 834 NE2 GLN A 51 -14.884 -5.992 12.502 1.00 1.99 N ATOM 0 H GLN A 51 -9.847 -5.740 10.561 1.00 0.58 H new ATOM 0 HA GLN A 51 -10.531 -7.848 10.645 1.00 0.67 H new ATOM 0 HB2 GLN A 51 -13.278 -6.732 10.027 1.00 0.82 H new ATOM 0 HB3 GLN A 51 -12.938 -8.337 10.644 1.00 0.82 H new ATOM 0 HG2 GLN A 51 -11.890 -7.279 12.670 1.00 0.94 H new ATOM 0 HG3 GLN A 51 -12.386 -5.712 12.062 1.00 0.94 H new ATOM 0 HE21 GLN A 51 -14.628 -5.168 11.958 1.00 1.99 H new ATOM 0 HE22 GLN A 51 -15.820 -6.070 12.900 1.00 1.99 H new ATOM 843 N SER A 52 -10.040 -8.000 8.044 1.00 0.51 N ATOM 844 CA SER A 52 -9.891 -8.541 6.709 1.00 0.51 C ATOM 845 C SER A 52 -8.749 -9.550 6.695 1.00 0.43 C ATOM 846 O SER A 52 -7.817 -9.449 7.498 1.00 0.44 O ATOM 847 CB SER A 52 -9.622 -7.409 5.718 1.00 0.53 C ATOM 848 OG SER A 52 -10.613 -6.399 5.823 1.00 1.35 O ATOM 0 H SER A 52 -9.158 -7.764 8.498 1.00 0.51 H new ATOM 0 HA SER A 52 -10.810 -9.046 6.414 1.00 0.51 H new ATOM 0 HB2 SER A 52 -8.638 -6.980 5.908 1.00 0.53 H new ATOM 0 HB3 SER A 52 -9.607 -7.805 4.703 1.00 0.53 H new ATOM 0 HG SER A 52 -10.421 -5.684 5.181 1.00 1.35 H new ATOM 854 N ALA A 53 -8.828 -10.522 5.799 1.00 0.46 N ATOM 855 CA ALA A 53 -7.828 -11.576 5.726 1.00 0.43 C ATOM 856 C ALA A 53 -6.593 -11.097 4.978 1.00 0.36 C ATOM 857 O ALA A 53 -6.704 -10.521 3.894 1.00 0.38 O ATOM 858 CB ALA A 53 -8.411 -12.805 5.045 1.00 0.50 C ATOM 0 H ALA A 53 -9.576 -10.603 5.111 1.00 0.46 H new ATOM 0 HA ALA A 53 -7.532 -11.840 6.741 1.00 0.43 H new ATOM 0 HB1 ALA A 53 -7.654 -13.587 4.996 1.00 0.50 H new ATOM 0 HB2 ALA A 53 -9.268 -13.165 5.615 1.00 0.50 H new ATOM 0 HB3 ALA A 53 -8.730 -12.545 4.036 1.00 0.50 H new ATOM 864 N PRO A 54 -5.397 -11.311 5.560 1.00 0.33 N ATOM 865 CA PRO A 54 -4.132 -10.967 4.909 1.00 0.30 C ATOM 866 C PRO A 54 -3.998 -11.685 3.576 1.00 0.28 C ATOM 867 O PRO A 54 -4.203 -12.896 3.490 1.00 0.29 O ATOM 868 CB PRO A 54 -3.064 -11.453 5.894 1.00 0.35 C ATOM 869 CG PRO A 54 -3.763 -11.535 7.207 1.00 0.56 C ATOM 870 CD PRO A 54 -5.185 -11.901 6.893 1.00 0.39 C ATOM 0 HA PRO A 54 -4.050 -9.902 4.690 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -2.665 -12.423 5.597 1.00 0.35 H new ATOM 0 HB3 PRO A 54 -2.222 -10.762 5.937 1.00 0.35 H new ATOM 0 HG2 PRO A 54 -3.300 -12.283 7.850 1.00 0.56 H new ATOM 0 HG3 PRO A 54 -3.712 -10.584 7.737 1.00 0.56 H new ATOM 0 HD2 PRO A 54 -5.330 -12.981 6.883 1.00 0.39 H new ATOM 0 HD3 PRO A 54 -5.878 -11.493 7.629 1.00 0.39 H new ATOM 878 N ARG A 55 -3.648 -10.943 2.542 1.00 0.27 N ATOM 879 CA ARG A 55 -3.652 -11.484 1.196 1.00 0.30 C ATOM 880 C ARG A 55 -2.462 -10.955 0.412 1.00 0.24 C ATOM 881 O ARG A 55 -2.175 -9.760 0.440 1.00 0.20 O ATOM 882 CB ARG A 55 -4.963 -11.095 0.512 1.00 0.41 C ATOM 883 CG ARG A 55 -5.229 -11.805 -0.802 1.00 0.52 C ATOM 884 CD ARG A 55 -6.597 -11.427 -1.354 1.00 0.82 C ATOM 885 NE ARG A 55 -7.678 -11.782 -0.431 1.00 1.64 N ATOM 886 CZ ARG A 55 -8.316 -10.906 0.357 1.00 2.46 C ATOM 887 NH1 ARG A 55 -7.991 -9.616 0.326 1.00 2.66 N ATOM 888 NH2 ARG A 55 -9.281 -11.322 1.169 1.00 3.34 N ATOM 0 H ARG A 55 -3.358 -9.967 2.608 1.00 0.27 H new ATOM 0 HA ARG A 55 -3.572 -12.570 1.235 1.00 0.30 H new ATOM 0 HB2 ARG A 55 -5.788 -11.302 1.194 1.00 0.41 H new ATOM 0 HB3 ARG A 55 -4.959 -10.020 0.334 1.00 0.41 H new ATOM 0 HG2 ARG A 55 -4.456 -11.544 -1.524 1.00 0.52 H new ATOM 0 HG3 ARG A 55 -5.177 -12.884 -0.655 1.00 0.52 H new ATOM 0 HD2 ARG A 55 -6.625 -10.355 -1.550 1.00 0.82 H new ATOM 0 HD3 ARG A 55 -6.755 -11.930 -2.308 1.00 0.82 H new ATOM 0 HE ARG A 55 -7.964 -12.760 -0.385 1.00 1.64 H new ATOM 0 HH11 ARG A 55 -7.254 -9.291 -0.299 1.00 2.66 H new ATOM 0 HH12 ARG A 55 -8.479 -8.952 0.927 1.00 2.66 H new ATOM 0 HH21 ARG A 55 -9.537 -12.309 1.193 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -9.766 -10.654 1.769 1.00 3.34 H new ATOM 902 N VAL A 56 -1.773 -11.842 -0.281 1.00 0.27 N ATOM 903 CA VAL A 56 -0.594 -11.460 -1.036 1.00 0.25 C ATOM 904 C VAL A 56 -0.974 -11.016 -2.449 1.00 0.25 C ATOM 905 O VAL A 56 -1.861 -11.594 -3.078 1.00 0.31 O ATOM 906 CB VAL A 56 0.432 -12.622 -1.092 1.00 0.32 C ATOM 907 CG1 VAL A 56 -0.191 -13.870 -1.702 1.00 1.22 C ATOM 908 CG2 VAL A 56 1.684 -12.217 -1.860 1.00 1.18 C ATOM 0 H VAL A 56 -2.009 -12.833 -0.337 1.00 0.27 H new ATOM 0 HA VAL A 56 -0.128 -10.618 -0.523 1.00 0.25 H new ATOM 0 HB VAL A 56 0.726 -12.852 -0.068 1.00 0.32 H new ATOM 0 HG11 VAL A 56 0.549 -14.670 -1.730 1.00 1.22 H new ATOM 0 HG12 VAL A 56 -1.042 -14.184 -1.098 1.00 1.22 H new ATOM 0 HG13 VAL A 56 -0.527 -13.651 -2.716 1.00 1.22 H new ATOM 0 HG21 VAL A 56 2.384 -13.052 -1.882 1.00 1.18 H new ATOM 0 HG22 VAL A 56 1.413 -11.944 -2.880 1.00 1.18 H new ATOM 0 HG23 VAL A 56 2.152 -11.364 -1.369 1.00 1.18 H new ATOM 918 N TYR A 57 -0.315 -9.970 -2.925 1.00 0.20 N ATOM 919 CA TYR A 57 -0.556 -9.448 -4.256 1.00 0.20 C ATOM 920 C TYR A 57 0.769 -9.297 -4.990 1.00 0.19 C ATOM 921 O TYR A 57 1.781 -8.929 -4.384 1.00 0.21 O ATOM 922 CB TYR A 57 -1.271 -8.092 -4.186 1.00 0.20 C ATOM 923 CG TYR A 57 -2.623 -8.129 -3.500 1.00 0.27 C ATOM 924 CD1 TYR A 57 -3.706 -8.772 -4.090 1.00 0.36 C ATOM 925 CD2 TYR A 57 -2.814 -7.533 -2.259 1.00 0.36 C ATOM 926 CE1 TYR A 57 -4.939 -8.817 -3.465 1.00 0.45 C ATOM 927 CE2 TYR A 57 -4.044 -7.574 -1.627 1.00 0.45 C ATOM 928 CZ TYR A 57 -5.109 -8.176 -2.243 1.00 0.46 C ATOM 929 OH TYR A 57 -6.330 -8.263 -1.605 1.00 0.57 O ATOM 0 H TYR A 57 0.398 -9.463 -2.400 1.00 0.20 H new ATOM 0 HA TYR A 57 -1.196 -10.146 -4.796 1.00 0.20 H new ATOM 0 HB2 TYR A 57 -0.630 -7.384 -3.660 1.00 0.20 H new ATOM 0 HB3 TYR A 57 -1.402 -7.712 -5.199 1.00 0.20 H new ATOM 0 HD1 TYR A 57 -3.582 -9.245 -5.053 1.00 0.36 H new ATOM 0 HD2 TYR A 57 -1.988 -7.029 -1.780 1.00 0.36 H new ATOM 0 HE1 TYR A 57 -5.763 -9.345 -3.922 1.00 0.45 H new ATOM 0 HE2 TYR A 57 -4.164 -7.132 -0.649 1.00 0.45 H new ATOM 0 HH TYR A 57 -7.031 -8.447 -2.264 1.00 0.57 H new ATOM 939 N ARG A 58 0.776 -9.596 -6.280 1.00 0.23 N ATOM 940 CA ARG A 58 1.980 -9.449 -7.077 1.00 0.27 C ATOM 941 C ARG A 58 2.047 -8.035 -7.638 1.00 0.25 C ATOM 942 O ARG A 58 1.330 -7.697 -8.579 1.00 0.37 O ATOM 943 CB ARG A 58 2.017 -10.478 -8.213 1.00 0.40 C ATOM 944 CG ARG A 58 3.399 -10.662 -8.826 1.00 0.57 C ATOM 945 CD ARG A 58 4.390 -11.177 -7.792 1.00 1.11 C ATOM 946 NE ARG A 58 5.734 -11.366 -8.338 1.00 1.96 N ATOM 947 CZ ARG A 58 6.618 -12.238 -7.848 1.00 2.71 C ATOM 948 NH1 ARG A 58 6.274 -13.048 -6.855 1.00 2.90 N ATOM 949 NH2 ARG A 58 7.839 -12.306 -8.358 1.00 3.71 N ATOM 0 H ARG A 58 -0.035 -9.940 -6.794 1.00 0.23 H new ATOM 0 HA ARG A 58 2.846 -9.627 -6.440 1.00 0.27 H new ATOM 0 HB2 ARG A 58 1.667 -11.438 -7.834 1.00 0.40 H new ATOM 0 HB3 ARG A 58 1.321 -10.170 -8.993 1.00 0.40 H new ATOM 0 HG2 ARG A 58 3.341 -11.362 -9.659 1.00 0.57 H new ATOM 0 HG3 ARG A 58 3.751 -9.713 -9.231 1.00 0.57 H new ATOM 0 HD2 ARG A 58 4.437 -10.475 -6.959 1.00 1.11 H new ATOM 0 HD3 ARG A 58 4.030 -12.124 -7.391 1.00 1.11 H new ATOM 0 HE ARG A 58 6.012 -10.799 -9.139 1.00 1.96 H new ATOM 0 HH11 ARG A 58 5.333 -13.005 -6.465 1.00 2.90 H new ATOM 0 HH12 ARG A 58 6.951 -13.714 -6.482 1.00 2.90 H new ATOM 0 HH21 ARG A 58 8.105 -11.691 -9.127 1.00 3.71 H new ATOM 0 HH22 ARG A 58 8.512 -12.973 -7.982 1.00 3.71 H new ATOM 963 N VAL A 59 2.895 -7.215 -7.039 1.00 0.19 N ATOM 964 CA VAL A 59 3.019 -5.818 -7.415 1.00 0.17 C ATOM 965 C VAL A 59 3.516 -5.671 -8.837 1.00 0.17 C ATOM 966 O VAL A 59 4.621 -6.112 -9.168 1.00 0.18 O ATOM 967 CB VAL A 59 3.979 -5.063 -6.478 1.00 0.18 C ATOM 968 CG1 VAL A 59 4.219 -3.643 -6.965 1.00 0.20 C ATOM 969 CG2 VAL A 59 3.434 -5.044 -5.069 1.00 0.20 C ATOM 0 H VAL A 59 3.515 -7.499 -6.280 1.00 0.19 H new ATOM 0 HA VAL A 59 2.021 -5.387 -7.332 1.00 0.17 H new ATOM 0 HB VAL A 59 4.933 -5.590 -6.482 1.00 0.18 H new ATOM 0 HG11 VAL A 59 4.901 -3.135 -6.283 1.00 0.20 H new ATOM 0 HG12 VAL A 59 4.657 -3.670 -7.963 1.00 0.20 H new ATOM 0 HG13 VAL A 59 3.272 -3.105 -6.999 1.00 0.20 H new ATOM 0 HG21 VAL A 59 4.124 -4.507 -4.419 1.00 0.20 H new ATOM 0 HG22 VAL A 59 2.465 -4.545 -5.060 1.00 0.20 H new ATOM 0 HG23 VAL A 59 3.319 -6.067 -4.710 1.00 0.20 H new ATOM 979 N ASN A 60 2.685 -5.061 -9.670 1.00 0.17 N ATOM 980 CA ASN A 60 3.086 -4.700 -11.014 1.00 0.18 C ATOM 981 C ASN A 60 3.772 -3.347 -10.982 1.00 0.18 C ATOM 982 O ASN A 60 4.645 -3.065 -11.801 1.00 0.21 O ATOM 983 CB ASN A 60 1.883 -4.666 -11.961 1.00 0.23 C ATOM 984 CG ASN A 60 1.213 -6.019 -12.103 1.00 1.14 C ATOM 985 OD1 ASN A 60 0.267 -6.337 -11.384 1.00 2.02 O ATOM 986 ND2 ASN A 60 1.706 -6.833 -13.024 1.00 1.61 N ATOM 0 H ASN A 60 1.726 -4.807 -9.433 1.00 0.17 H new ATOM 0 HA ASN A 60 3.778 -5.454 -11.389 1.00 0.18 H new ATOM 0 HB2 ASN A 60 1.156 -3.942 -11.593 1.00 0.23 H new ATOM 0 HB3 ASN A 60 2.208 -4.321 -12.943 1.00 0.23 H new ATOM 0 HD21 ASN A 60 1.300 -7.759 -13.156 1.00 1.61 H new ATOM 0 HD22 ASN A 60 2.492 -6.534 -13.601 1.00 1.61 H new ATOM 993 N GLY A 61 3.376 -2.508 -10.022 1.00 0.18 N ATOM 994 CA GLY A 61 4.053 -1.241 -9.838 1.00 0.23 C ATOM 995 C GLY A 61 3.366 -0.333 -8.841 1.00 0.21 C ATOM 996 O GLY A 61 2.800 -0.796 -7.850 1.00 0.21 O ATOM 0 H GLY A 61 2.606 -2.685 -9.377 1.00 0.18 H new ATOM 0 HA2 GLY A 61 5.074 -1.428 -9.505 1.00 0.23 H new ATOM 0 HA3 GLY A 61 4.119 -0.730 -10.798 1.00 0.23 H new ATOM 1000 N LEU A 62 3.408 0.964 -9.110 1.00 0.25 N ATOM 1001 CA LEU A 62 2.864 1.961 -8.200 1.00 0.28 C ATOM 1002 C LEU A 62 1.934 2.912 -8.917 1.00 0.32 C ATOM 1003 O LEU A 62 1.914 2.985 -10.142 1.00 0.33 O ATOM 1004 CB LEU A 62 3.965 2.784 -7.543 1.00 0.32 C ATOM 1005 CG LEU A 62 4.867 2.044 -6.567 1.00 0.34 C ATOM 1006 CD1 LEU A 62 5.800 3.035 -5.914 1.00 0.42 C ATOM 1007 CD2 LEU A 62 4.047 1.328 -5.514 1.00 0.35 C ATOM 0 H LEU A 62 3.817 1.353 -9.960 1.00 0.25 H new ATOM 0 HA LEU A 62 2.315 1.408 -7.437 1.00 0.28 H new ATOM 0 HB2 LEU A 62 4.588 3.211 -8.329 1.00 0.32 H new ATOM 0 HB3 LEU A 62 3.501 3.618 -7.016 1.00 0.32 H new ATOM 0 HG LEU A 62 5.444 1.295 -7.110 1.00 0.34 H new ATOM 0 HD11 LEU A 62 6.451 2.514 -5.212 1.00 0.42 H new ATOM 0 HD12 LEU A 62 6.406 3.522 -6.678 1.00 0.42 H new ATOM 0 HD13 LEU A 62 5.218 3.786 -5.380 1.00 0.42 H new ATOM 0 HD21 LEU A 62 4.713 0.806 -4.827 1.00 0.35 H new ATOM 0 HD22 LEU A 62 3.452 2.054 -4.960 1.00 0.35 H new ATOM 0 HD23 LEU A 62 3.385 0.608 -5.996 1.00 0.35 H new ATOM 1019 N SER A 63 1.152 3.619 -8.133 1.00 0.39 N ATOM 1020 CA SER A 63 0.267 4.638 -8.638 1.00 0.48 C ATOM 1021 C SER A 63 0.938 5.997 -8.499 1.00 0.49 C ATOM 1022 O SER A 63 1.446 6.334 -7.433 1.00 0.60 O ATOM 1023 CB SER A 63 -1.029 4.604 -7.840 1.00 0.66 C ATOM 1024 OG SER A 63 -2.090 5.246 -8.535 1.00 1.57 O ATOM 0 H SER A 63 1.114 3.501 -7.121 1.00 0.39 H new ATOM 0 HA SER A 63 0.045 4.460 -9.690 1.00 0.48 H new ATOM 0 HB2 SER A 63 -1.302 3.569 -7.634 1.00 0.66 H new ATOM 0 HB3 SER A 63 -0.877 5.092 -6.877 1.00 0.66 H new ATOM 0 HG SER A 63 -2.907 5.204 -7.995 1.00 1.57 H new ATOM 1030 N ARG A 64 0.939 6.770 -9.575 1.00 0.66 N ATOM 1031 CA ARG A 64 1.593 8.077 -9.589 1.00 0.78 C ATOM 1032 C ARG A 64 0.832 9.099 -8.743 1.00 0.61 C ATOM 1033 O ARG A 64 1.289 10.227 -8.555 1.00 0.71 O ATOM 1034 CB ARG A 64 1.744 8.592 -11.026 1.00 1.08 C ATOM 1035 CG ARG A 64 2.924 8.003 -11.793 1.00 1.53 C ATOM 1036 CD ARG A 64 2.827 6.493 -11.958 1.00 2.14 C ATOM 1037 NE ARG A 64 1.617 6.087 -12.674 1.00 2.62 N ATOM 1038 CZ ARG A 64 1.348 4.829 -13.028 1.00 3.27 C ATOM 1039 NH1 ARG A 64 2.227 3.860 -12.792 1.00 3.51 N ATOM 1040 NH2 ARG A 64 0.197 4.542 -13.621 1.00 4.02 N ATOM 0 H ARG A 64 0.492 6.516 -10.456 1.00 0.66 H new ATOM 0 HA ARG A 64 2.583 7.949 -9.152 1.00 0.78 H new ATOM 0 HB2 ARG A 64 0.827 8.375 -11.574 1.00 1.08 H new ATOM 0 HB3 ARG A 64 1.850 9.677 -11.000 1.00 1.08 H new ATOM 0 HG2 ARG A 64 2.980 8.468 -12.777 1.00 1.53 H new ATOM 0 HG3 ARG A 64 3.849 8.248 -11.271 1.00 1.53 H new ATOM 0 HD2 ARG A 64 3.703 6.132 -12.497 1.00 2.14 H new ATOM 0 HD3 ARG A 64 2.840 6.021 -10.975 1.00 2.14 H new ATOM 0 HE ARG A 64 0.939 6.809 -12.917 1.00 2.62 H new ATOM 0 HH11 ARG A 64 3.114 4.076 -12.337 1.00 3.51 H new ATOM 0 HH12 ARG A 64 2.014 2.901 -13.066 1.00 3.51 H new ATOM 0 HH21 ARG A 64 -0.480 5.282 -13.805 1.00 4.02 H new ATOM 0 HH22 ARG A 64 -0.011 3.581 -13.893 1.00 4.02 H new ATOM 1054 N ALA A 65 -0.332 8.707 -8.246 1.00 0.44 N ATOM 1055 CA ALA A 65 -1.136 9.584 -7.413 1.00 0.36 C ATOM 1056 C ALA A 65 -1.162 9.094 -5.966 1.00 0.33 C ATOM 1057 O ALA A 65 -1.527 7.946 -5.696 1.00 0.33 O ATOM 1058 CB ALA A 65 -2.545 9.689 -7.971 1.00 0.47 C ATOM 0 H ALA A 65 -0.740 7.786 -8.406 1.00 0.44 H new ATOM 0 HA ALA A 65 -0.683 10.575 -7.420 1.00 0.36 H new ATOM 0 HB1 ALA A 65 -3.139 10.349 -7.338 1.00 0.47 H new ATOM 0 HB2 ALA A 65 -2.507 10.094 -8.982 1.00 0.47 H new ATOM 0 HB3 ALA A 65 -3.002 8.700 -7.993 1.00 0.47 H new ATOM 1064 N PRO A 66 -0.733 9.955 -5.027 1.00 0.36 N ATOM 1065 CA PRO A 66 -0.749 9.663 -3.583 1.00 0.37 C ATOM 1066 C PRO A 66 -2.158 9.412 -3.040 1.00 0.33 C ATOM 1067 O PRO A 66 -3.162 9.793 -3.650 1.00 0.34 O ATOM 1068 CB PRO A 66 -0.166 10.934 -2.953 1.00 0.45 C ATOM 1069 CG PRO A 66 0.594 11.595 -4.049 1.00 0.52 C ATOM 1070 CD PRO A 66 -0.161 11.283 -5.305 1.00 0.41 C ATOM 0 HA PRO A 66 -0.191 8.754 -3.357 1.00 0.37 H new ATOM 0 HB2 PRO A 66 -0.955 11.583 -2.573 1.00 0.45 H new ATOM 0 HB3 PRO A 66 0.484 10.695 -2.111 1.00 0.45 H new ATOM 0 HG2 PRO A 66 0.659 12.671 -3.888 1.00 0.52 H new ATOM 0 HG3 PRO A 66 1.615 11.218 -4.101 1.00 0.52 H new ATOM 0 HD2 PRO A 66 -0.936 12.023 -5.504 1.00 0.41 H new ATOM 0 HD3 PRO A 66 0.494 11.266 -6.176 1.00 0.41 H new ATOM 1078 N ALA A 67 -2.210 8.804 -1.855 1.00 0.35 N ATOM 1079 CA ALA A 67 -3.464 8.348 -1.259 1.00 0.35 C ATOM 1080 C ALA A 67 -4.363 9.506 -0.842 1.00 0.32 C ATOM 1081 O ALA A 67 -5.553 9.313 -0.588 1.00 0.34 O ATOM 1082 CB ALA A 67 -3.176 7.456 -0.060 1.00 0.40 C ATOM 0 H ALA A 67 -1.387 8.615 -1.283 1.00 0.35 H new ATOM 0 HA ALA A 67 -3.998 7.781 -2.022 1.00 0.35 H new ATOM 0 HB1 ALA A 67 -4.116 7.121 0.378 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -2.596 6.591 -0.381 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -2.609 8.017 0.683 1.00 0.40 H new ATOM 1088 N SER A 68 -3.794 10.698 -0.757 1.00 0.36 N ATOM 1089 CA SER A 68 -4.561 11.884 -0.403 1.00 0.39 C ATOM 1090 C SER A 68 -5.178 12.531 -1.641 1.00 0.39 C ATOM 1091 O SER A 68 -5.989 13.451 -1.530 1.00 0.47 O ATOM 1092 CB SER A 68 -3.663 12.894 0.315 1.00 0.46 C ATOM 1093 OG SER A 68 -3.041 12.308 1.446 1.00 1.08 O ATOM 0 H SER A 68 -2.803 10.871 -0.928 1.00 0.36 H new ATOM 0 HA SER A 68 -5.368 11.578 0.262 1.00 0.39 H new ATOM 0 HB2 SER A 68 -2.902 13.262 -0.373 1.00 0.46 H new ATOM 0 HB3 SER A 68 -4.255 13.755 0.626 1.00 0.46 H new ATOM 0 HG SER A 68 -3.673 12.291 2.195 1.00 1.08 H new ATOM 1099 N SER A 69 -4.791 12.056 -2.818 1.00 0.37 N ATOM 1100 CA SER A 69 -5.262 12.648 -4.062 1.00 0.41 C ATOM 1101 C SER A 69 -6.369 11.810 -4.700 1.00 0.43 C ATOM 1102 O SER A 69 -7.385 12.349 -5.139 1.00 0.58 O ATOM 1103 CB SER A 69 -4.092 12.818 -5.033 1.00 0.48 C ATOM 1104 OG SER A 69 -3.061 13.610 -4.455 1.00 1.15 O ATOM 0 H SER A 69 -4.156 11.267 -2.937 1.00 0.37 H new ATOM 0 HA SER A 69 -5.684 13.627 -3.833 1.00 0.41 H new ATOM 0 HB2 SER A 69 -3.695 11.840 -5.305 1.00 0.48 H new ATOM 0 HB3 SER A 69 -4.443 13.286 -5.953 1.00 0.48 H new ATOM 0 HG SER A 69 -2.323 13.703 -5.093 1.00 1.15 H new ATOM 1110 N GLU A 70 -6.183 10.496 -4.739 1.00 0.40 N ATOM 1111 CA GLU A 70 -7.159 9.616 -5.368 1.00 0.47 C ATOM 1112 C GLU A 70 -8.403 9.456 -4.503 1.00 0.45 C ATOM 1113 O GLU A 70 -8.310 9.207 -3.299 1.00 0.40 O ATOM 1114 CB GLU A 70 -6.547 8.247 -5.670 1.00 0.53 C ATOM 1115 CG GLU A 70 -5.506 8.286 -6.773 1.00 0.69 C ATOM 1116 CD GLU A 70 -6.059 8.850 -8.069 1.00 0.71 C ATOM 1117 OE1 GLU A 70 -6.055 10.086 -8.235 1.00 0.79 O ATOM 1118 OE2 GLU A 70 -6.494 8.060 -8.930 1.00 1.09 O ATOM 0 H GLU A 70 -5.371 10.020 -4.346 1.00 0.40 H new ATOM 0 HA GLU A 70 -7.456 10.080 -6.308 1.00 0.47 H new ATOM 0 HB2 GLU A 70 -6.090 7.853 -4.762 1.00 0.53 H new ATOM 0 HB3 GLU A 70 -7.341 7.556 -5.953 1.00 0.53 H new ATOM 0 HG2 GLU A 70 -4.659 8.891 -6.449 1.00 0.69 H new ATOM 0 HG3 GLU A 70 -5.129 7.278 -6.950 1.00 0.69 H new ATOM 1125 N THR A 71 -9.562 9.603 -5.130 1.00 0.57 N ATOM 1126 CA THR A 71 -10.834 9.497 -4.438 1.00 0.59 C ATOM 1127 C THR A 71 -11.691 8.395 -5.049 1.00 0.67 C ATOM 1128 O THR A 71 -11.537 8.062 -6.225 1.00 0.75 O ATOM 1129 CB THR A 71 -11.621 10.821 -4.512 1.00 0.67 C ATOM 1130 OG1 THR A 71 -11.743 11.243 -5.877 1.00 0.93 O ATOM 1131 CG2 THR A 71 -10.943 11.911 -3.699 1.00 0.67 C ATOM 0 H THR A 71 -9.645 9.798 -6.128 1.00 0.57 H new ATOM 0 HA THR A 71 -10.613 9.262 -3.397 1.00 0.59 H new ATOM 0 HB THR A 71 -12.612 10.647 -4.093 1.00 0.67 H new ATOM 0 HG1 THR A 71 -12.245 12.084 -5.916 1.00 0.93 H new ATOM 0 HG21 THR A 71 -11.522 12.832 -3.771 1.00 0.67 H new ATOM 0 HG22 THR A 71 -10.882 11.602 -2.656 1.00 0.67 H new ATOM 0 HG23 THR A 71 -9.939 12.082 -4.086 1.00 0.67 H new ATOM 1139 N PHE A 72 -12.589 7.836 -4.255 1.00 0.67 N ATOM 1140 CA PHE A 72 -13.545 6.862 -4.755 1.00 0.74 C ATOM 1141 C PHE A 72 -14.886 7.049 -4.061 1.00 0.76 C ATOM 1142 O PHE A 72 -14.947 7.523 -2.925 1.00 0.74 O ATOM 1143 CB PHE A 72 -13.027 5.427 -4.573 1.00 0.75 C ATOM 1144 CG PHE A 72 -12.762 5.031 -3.147 1.00 0.67 C ATOM 1145 CD1 PHE A 72 -11.560 5.353 -2.535 1.00 0.56 C ATOM 1146 CD2 PHE A 72 -13.710 4.326 -2.424 1.00 0.74 C ATOM 1147 CE1 PHE A 72 -11.313 4.981 -1.228 1.00 0.51 C ATOM 1148 CE2 PHE A 72 -13.467 3.951 -1.118 1.00 0.69 C ATOM 1149 CZ PHE A 72 -12.267 4.279 -0.520 1.00 0.57 C ATOM 0 H PHE A 72 -12.676 8.040 -3.260 1.00 0.67 H new ATOM 0 HA PHE A 72 -13.677 7.026 -5.824 1.00 0.74 H new ATOM 0 HB2 PHE A 72 -13.755 4.736 -4.999 1.00 0.75 H new ATOM 0 HB3 PHE A 72 -12.106 5.312 -5.145 1.00 0.75 H new ATOM 0 HD1 PHE A 72 -10.809 5.900 -3.086 1.00 0.56 H new ATOM 0 HD2 PHE A 72 -14.650 4.067 -2.888 1.00 0.74 H new ATOM 0 HE1 PHE A 72 -10.374 5.239 -0.761 1.00 0.51 H new ATOM 0 HE2 PHE A 72 -14.215 3.402 -0.565 1.00 0.69 H new ATOM 0 HZ PHE A 72 -12.075 3.986 0.502 1.00 0.57 H new ATOM 1159 N GLU A 73 -15.955 6.698 -4.756 1.00 0.83 N ATOM 1160 CA GLU A 73 -17.301 6.905 -4.246 1.00 0.86 C ATOM 1161 C GLU A 73 -17.748 5.716 -3.405 1.00 0.87 C ATOM 1162 O GLU A 73 -18.022 4.635 -3.931 1.00 0.89 O ATOM 1163 CB GLU A 73 -18.265 7.134 -5.411 1.00 0.97 C ATOM 1164 CG GLU A 73 -19.685 7.470 -4.985 1.00 1.02 C ATOM 1165 CD GLU A 73 -20.605 7.688 -6.169 1.00 1.29 C ATOM 1166 OE1 GLU A 73 -21.158 6.696 -6.687 1.00 1.34 O ATOM 1167 OE2 GLU A 73 -20.774 8.852 -6.586 1.00 1.68 O ATOM 0 H GLU A 73 -15.917 6.266 -5.679 1.00 0.83 H new ATOM 0 HA GLU A 73 -17.303 7.788 -3.606 1.00 0.86 H new ATOM 0 HB2 GLU A 73 -17.882 7.944 -6.032 1.00 0.97 H new ATOM 0 HB3 GLU A 73 -18.286 6.239 -6.033 1.00 0.97 H new ATOM 0 HG2 GLU A 73 -20.077 6.662 -4.367 1.00 1.02 H new ATOM 0 HG3 GLU A 73 -19.674 8.368 -4.367 1.00 1.02 H new ATOM 1174 N HIS A 74 -17.810 5.926 -2.101 1.00 0.90 N ATOM 1175 CA HIS A 74 -18.237 4.897 -1.168 1.00 0.97 C ATOM 1176 C HIS A 74 -19.436 5.408 -0.376 1.00 1.09 C ATOM 1177 O HIS A 74 -19.328 6.408 0.340 1.00 1.06 O ATOM 1178 CB HIS A 74 -17.084 4.536 -0.221 1.00 0.90 C ATOM 1179 CG HIS A 74 -17.313 3.296 0.592 1.00 1.06 C ATOM 1180 ND1 HIS A 74 -16.667 2.119 0.297 1.00 1.78 N ATOM 1181 CD2 HIS A 74 -18.101 3.105 1.677 1.00 1.09 C ATOM 1182 CE1 HIS A 74 -17.073 1.246 1.201 1.00 1.77 C ATOM 1183 NE2 HIS A 74 -17.943 1.797 2.058 1.00 1.20 N ATOM 0 H HIS A 74 -17.566 6.813 -1.660 1.00 0.90 H new ATOM 0 HA HIS A 74 -18.524 4.000 -1.717 1.00 0.97 H new ATOM 0 HB2 HIS A 74 -16.175 4.408 -0.808 1.00 0.90 H new ATOM 0 HB3 HIS A 74 -16.911 5.373 0.456 1.00 0.90 H new ATOM 0 HD2 HIS A 74 -18.733 3.842 2.151 1.00 1.09 H new ATOM 0 HE1 HIS A 74 -16.745 0.218 1.244 1.00 1.77 H new ATOM 0 HE2 HIS A 74 -18.400 1.333 2.843 1.00 1.20 H new ATOM 1191 N ASP A 75 -20.575 4.735 -0.530 1.00 1.29 N ATOM 1192 CA ASP A 75 -21.823 5.128 0.132 1.00 1.48 C ATOM 1193 C ASP A 75 -22.283 6.498 -0.375 1.00 1.39 C ATOM 1194 O ASP A 75 -22.887 7.287 0.349 1.00 1.46 O ATOM 1195 CB ASP A 75 -21.648 5.128 1.663 1.00 1.61 C ATOM 1196 CG ASP A 75 -22.947 5.332 2.420 1.00 2.16 C ATOM 1197 OD1 ASP A 75 -23.837 4.460 2.341 1.00 2.30 O ATOM 1198 OD2 ASP A 75 -23.084 6.360 3.117 1.00 2.80 O ATOM 0 H ASP A 75 -20.661 3.904 -1.115 1.00 1.29 H new ATOM 0 HA ASP A 75 -22.596 4.399 -0.113 1.00 1.48 H new ATOM 0 HB2 ASP A 75 -21.202 4.182 1.970 1.00 1.61 H new ATOM 0 HB3 ASP A 75 -20.947 5.915 1.941 1.00 1.61 H new ATOM 1203 N GLY A 76 -21.980 6.776 -1.639 1.00 1.28 N ATOM 1204 CA GLY A 76 -22.372 8.038 -2.243 1.00 1.24 C ATOM 1205 C GLY A 76 -21.434 9.176 -1.884 1.00 1.14 C ATOM 1206 O GLY A 76 -21.593 10.299 -2.367 1.00 1.18 O ATOM 0 H GLY A 76 -21.468 6.148 -2.258 1.00 1.28 H new ATOM 0 HA2 GLY A 76 -22.400 7.924 -3.327 1.00 1.24 H new ATOM 0 HA3 GLY A 76 -23.383 8.291 -1.923 1.00 1.24 H new ATOM 1210 N LYS A 77 -20.458 8.888 -1.035 1.00 1.07 N ATOM 1211 CA LYS A 77 -19.495 9.886 -0.599 1.00 1.00 C ATOM 1212 C LYS A 77 -18.125 9.571 -1.177 1.00 0.89 C ATOM 1213 O LYS A 77 -17.639 8.447 -1.058 1.00 0.88 O ATOM 1214 CB LYS A 77 -19.416 9.917 0.932 1.00 1.04 C ATOM 1215 CG LYS A 77 -20.754 10.169 1.611 1.00 1.37 C ATOM 1216 CD LYS A 77 -21.284 11.559 1.306 1.00 1.58 C ATOM 1217 CE LYS A 77 -22.652 11.789 1.926 1.00 1.77 C ATOM 1218 NZ LYS A 77 -22.635 11.598 3.401 1.00 2.07 N ATOM 0 H LYS A 77 -20.313 7.962 -0.632 1.00 1.07 H new ATOM 0 HA LYS A 77 -19.820 10.864 -0.955 1.00 1.00 H new ATOM 0 HB2 LYS A 77 -19.013 8.968 1.285 1.00 1.04 H new ATOM 0 HB3 LYS A 77 -18.714 10.694 1.235 1.00 1.04 H new ATOM 0 HG2 LYS A 77 -21.477 9.423 1.280 1.00 1.37 H new ATOM 0 HG3 LYS A 77 -20.644 10.050 2.689 1.00 1.37 H new ATOM 0 HD2 LYS A 77 -20.584 12.306 1.682 1.00 1.58 H new ATOM 0 HD3 LYS A 77 -21.346 11.696 0.226 1.00 1.58 H new ATOM 0 HE2 LYS A 77 -22.989 12.800 1.695 1.00 1.77 H new ATOM 0 HE3 LYS A 77 -23.372 11.103 1.480 1.00 1.77 H new ATOM 0 HZ1 LYS A 77 -23.529 11.942 3.806 1.00 2.07 H new ATOM 0 HZ2 LYS A 77 -22.522 10.587 3.619 1.00 2.07 H new ATOM 0 HZ3 LYS A 77 -21.842 12.131 3.811 1.00 2.07 H new ATOM 1232 N LYS A 78 -17.504 10.550 -1.815 1.00 0.90 N ATOM 1233 CA LYS A 78 -16.192 10.334 -2.400 1.00 0.83 C ATOM 1234 C LYS A 78 -15.096 10.675 -1.407 1.00 0.73 C ATOM 1235 O LYS A 78 -14.831 11.845 -1.120 1.00 0.81 O ATOM 1236 CB LYS A 78 -16.015 11.136 -3.686 1.00 0.92 C ATOM 1237 CG LYS A 78 -16.988 10.733 -4.779 1.00 1.01 C ATOM 1238 CD LYS A 78 -16.590 11.314 -6.125 1.00 1.23 C ATOM 1239 CE LYS A 78 -15.379 10.602 -6.706 1.00 1.77 C ATOM 1240 NZ LYS A 78 -15.009 11.130 -8.046 1.00 2.36 N ATOM 0 H LYS A 78 -17.881 11.489 -1.940 1.00 0.90 H new ATOM 0 HA LYS A 78 -16.115 9.276 -2.652 1.00 0.83 H new ATOM 0 HB2 LYS A 78 -16.143 12.196 -3.466 1.00 0.92 H new ATOM 0 HB3 LYS A 78 -14.996 11.007 -4.050 1.00 0.92 H new ATOM 0 HG2 LYS A 78 -17.028 9.646 -4.849 1.00 1.01 H new ATOM 0 HG3 LYS A 78 -17.990 11.072 -4.518 1.00 1.01 H new ATOM 0 HD2 LYS A 78 -17.427 11.234 -6.818 1.00 1.23 H new ATOM 0 HD3 LYS A 78 -16.369 12.376 -6.013 1.00 1.23 H new ATOM 0 HE2 LYS A 78 -14.534 10.713 -6.027 1.00 1.77 H new ATOM 0 HE3 LYS A 78 -15.588 9.535 -6.782 1.00 1.77 H new ATOM 0 HZ1 LYS A 78 -14.179 10.616 -8.404 1.00 2.36 H new ATOM 0 HZ2 LYS A 78 -15.806 11.001 -8.702 1.00 2.36 H new ATOM 0 HZ3 LYS A 78 -14.783 12.142 -7.970 1.00 2.36 H new ATOM 1254 N VAL A 79 -14.485 9.636 -0.870 1.00 0.63 N ATOM 1255 CA VAL A 79 -13.387 9.781 0.065 1.00 0.54 C ATOM 1256 C VAL A 79 -12.082 9.389 -0.611 1.00 0.48 C ATOM 1257 O VAL A 79 -12.086 8.670 -1.613 1.00 0.51 O ATOM 1258 CB VAL A 79 -13.599 8.910 1.324 1.00 0.53 C ATOM 1259 CG1 VAL A 79 -14.820 9.379 2.102 1.00 0.63 C ATOM 1260 CG2 VAL A 79 -13.734 7.438 0.953 1.00 0.56 C ATOM 0 H VAL A 79 -14.736 8.668 -1.070 1.00 0.63 H new ATOM 0 HA VAL A 79 -13.345 10.825 0.376 1.00 0.54 H new ATOM 0 HB VAL A 79 -12.721 9.020 1.961 1.00 0.53 H new ATOM 0 HG11 VAL A 79 -14.952 8.753 2.984 1.00 0.63 H new ATOM 0 HG12 VAL A 79 -14.679 10.415 2.410 1.00 0.63 H new ATOM 0 HG13 VAL A 79 -15.705 9.305 1.470 1.00 0.63 H new ATOM 0 HG21 VAL A 79 -13.882 6.847 1.857 1.00 0.56 H new ATOM 0 HG22 VAL A 79 -14.589 7.307 0.289 1.00 0.56 H new ATOM 0 HG23 VAL A 79 -12.828 7.106 0.447 1.00 0.56 H new ATOM 1270 N THR A 80 -10.973 9.877 -0.084 1.00 0.42 N ATOM 1271 CA THR A 80 -9.672 9.510 -0.611 1.00 0.37 C ATOM 1272 C THR A 80 -9.254 8.158 -0.052 1.00 0.33 C ATOM 1273 O THR A 80 -9.862 7.673 0.907 1.00 0.32 O ATOM 1274 CB THR A 80 -8.599 10.559 -0.260 1.00 0.34 C ATOM 1275 OG1 THR A 80 -8.519 10.723 1.162 1.00 0.35 O ATOM 1276 CG2 THR A 80 -8.911 11.898 -0.907 1.00 0.46 C ATOM 0 H THR A 80 -10.947 10.524 0.704 1.00 0.42 H new ATOM 0 HA THR A 80 -9.756 9.459 -1.697 1.00 0.37 H new ATOM 0 HB THR A 80 -7.642 10.203 -0.643 1.00 0.34 H new ATOM 0 HG1 THR A 80 -7.834 11.390 1.376 1.00 0.35 H new ATOM 0 HG21 THR A 80 -8.138 12.619 -0.642 1.00 0.46 H new ATOM 0 HG22 THR A 80 -8.942 11.780 -1.990 1.00 0.46 H new ATOM 0 HG23 THR A 80 -9.878 12.257 -0.553 1.00 0.46 H new ATOM 1284 N ILE A 81 -8.235 7.549 -0.638 1.00 0.32 N ATOM 1285 CA ILE A 81 -7.724 6.277 -0.137 1.00 0.31 C ATOM 1286 C ILE A 81 -7.351 6.421 1.339 1.00 0.27 C ATOM 1287 O ILE A 81 -7.712 5.592 2.181 1.00 0.29 O ATOM 1288 CB ILE A 81 -6.488 5.808 -0.939 1.00 0.34 C ATOM 1289 CG1 ILE A 81 -6.751 5.928 -2.446 1.00 0.38 C ATOM 1290 CG2 ILE A 81 -6.126 4.372 -0.576 1.00 0.34 C ATOM 1291 CD1 ILE A 81 -7.906 5.081 -2.944 1.00 0.40 C ATOM 0 H ILE A 81 -7.746 7.910 -1.457 1.00 0.32 H new ATOM 0 HA ILE A 81 -8.508 5.528 -0.254 1.00 0.31 H new ATOM 0 HB ILE A 81 -5.647 6.451 -0.680 1.00 0.34 H new ATOM 0 HG12 ILE A 81 -6.950 6.972 -2.687 1.00 0.38 H new ATOM 0 HG13 ILE A 81 -5.847 5.644 -2.985 1.00 0.38 H new ATOM 0 HG21 ILE A 81 -5.254 4.060 -1.151 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -5.900 4.312 0.489 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -6.966 3.716 -0.806 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -8.025 5.223 -4.018 1.00 0.40 H new ATOM 0 HD12 ILE A 81 -7.702 4.030 -2.738 1.00 0.40 H new ATOM 0 HD13 ILE A 81 -8.822 5.380 -2.435 1.00 0.40 H new ATOM 1303 N ALA A 82 -6.667 7.518 1.646 1.00 0.26 N ATOM 1304 CA ALA A 82 -6.256 7.819 3.010 1.00 0.25 C ATOM 1305 C ALA A 82 -7.463 8.067 3.910 1.00 0.24 C ATOM 1306 O ALA A 82 -7.483 7.636 5.061 1.00 0.26 O ATOM 1307 CB ALA A 82 -5.331 9.027 3.027 1.00 0.26 C ATOM 0 H ALA A 82 -6.384 8.218 0.961 1.00 0.26 H new ATOM 0 HA ALA A 82 -5.719 6.953 3.398 1.00 0.25 H new ATOM 0 HB1 ALA A 82 -5.031 9.241 4.053 1.00 0.26 H new ATOM 0 HB2 ALA A 82 -4.446 8.816 2.427 1.00 0.26 H new ATOM 0 HB3 ALA A 82 -5.852 9.890 2.614 1.00 0.26 H new ATOM 1313 N SER A 83 -8.466 8.759 3.376 1.00 0.26 N ATOM 1314 CA SER A 83 -9.674 9.078 4.128 1.00 0.28 C ATOM 1315 C SER A 83 -10.406 7.803 4.552 1.00 0.26 C ATOM 1316 O SER A 83 -10.937 7.722 5.664 1.00 0.27 O ATOM 1317 CB SER A 83 -10.594 9.971 3.287 1.00 0.34 C ATOM 1318 OG SER A 83 -11.758 10.349 4.001 1.00 1.16 O ATOM 0 H SER A 83 -8.464 9.111 2.419 1.00 0.26 H new ATOM 0 HA SER A 83 -9.387 9.617 5.031 1.00 0.28 H new ATOM 0 HB2 SER A 83 -10.051 10.864 2.979 1.00 0.34 H new ATOM 0 HB3 SER A 83 -10.881 9.443 2.378 1.00 0.34 H new ATOM 0 HG SER A 83 -12.319 10.918 3.434 1.00 1.16 H new ATOM 1324 N TYR A 84 -10.413 6.805 3.672 1.00 0.27 N ATOM 1325 CA TYR A 84 -11.053 5.531 3.971 1.00 0.29 C ATOM 1326 C TYR A 84 -10.363 4.857 5.150 1.00 0.27 C ATOM 1327 O TYR A 84 -11.017 4.415 6.093 1.00 0.29 O ATOM 1328 CB TYR A 84 -11.016 4.613 2.744 1.00 0.34 C ATOM 1329 CG TYR A 84 -11.634 3.250 2.977 1.00 0.46 C ATOM 1330 CD1 TYR A 84 -12.996 3.039 2.777 1.00 0.60 C ATOM 1331 CD2 TYR A 84 -10.860 2.172 3.393 1.00 0.56 C ATOM 1332 CE1 TYR A 84 -13.565 1.798 2.985 1.00 0.74 C ATOM 1333 CE2 TYR A 84 -11.425 0.927 3.602 1.00 0.71 C ATOM 1334 CZ TYR A 84 -12.764 0.744 3.413 1.00 0.78 C ATOM 1335 OH TYR A 84 -13.341 -0.494 3.594 1.00 0.95 O ATOM 0 H TYR A 84 -9.983 6.856 2.748 1.00 0.27 H new ATOM 0 HA TYR A 84 -12.094 5.720 4.234 1.00 0.29 H new ATOM 0 HB2 TYR A 84 -11.538 5.102 1.921 1.00 0.34 H new ATOM 0 HB3 TYR A 84 -9.980 4.482 2.431 1.00 0.34 H new ATOM 0 HD1 TYR A 84 -13.618 3.860 2.454 1.00 0.60 H new ATOM 0 HD2 TYR A 84 -9.801 2.309 3.555 1.00 0.56 H new ATOM 0 HE1 TYR A 84 -14.621 1.647 2.817 1.00 0.74 H new ATOM 0 HE2 TYR A 84 -10.806 0.099 3.915 1.00 0.71 H new ATOM 0 HH TYR A 84 -12.660 -1.132 3.893 1.00 0.95 H new ATOM 1345 N PHE A 85 -9.039 4.800 5.097 1.00 0.27 N ATOM 1346 CA PHE A 85 -8.259 4.193 6.168 1.00 0.27 C ATOM 1347 C PHE A 85 -8.392 4.991 7.456 1.00 0.28 C ATOM 1348 O PHE A 85 -8.497 4.421 8.538 1.00 0.31 O ATOM 1349 CB PHE A 85 -6.790 4.082 5.761 1.00 0.29 C ATOM 1350 CG PHE A 85 -6.511 2.917 4.858 1.00 0.27 C ATOM 1351 CD1 PHE A 85 -7.060 2.867 3.591 1.00 0.27 C ATOM 1352 CD2 PHE A 85 -5.685 1.882 5.267 1.00 0.36 C ATOM 1353 CE1 PHE A 85 -6.793 1.808 2.747 1.00 0.29 C ATOM 1354 CE2 PHE A 85 -5.417 0.818 4.428 1.00 0.37 C ATOM 1355 CZ PHE A 85 -6.015 0.740 3.208 1.00 0.29 C ATOM 0 H PHE A 85 -8.483 5.166 4.325 1.00 0.27 H new ATOM 0 HA PHE A 85 -8.649 3.191 6.346 1.00 0.27 H new ATOM 0 HB2 PHE A 85 -6.489 5.002 5.260 1.00 0.29 H new ATOM 0 HB3 PHE A 85 -6.177 3.992 6.658 1.00 0.29 H new ATOM 0 HD1 PHE A 85 -7.706 3.666 3.257 1.00 0.27 H new ATOM 0 HD2 PHE A 85 -5.246 1.908 6.253 1.00 0.36 H new ATOM 0 HE1 PHE A 85 -7.181 1.804 1.739 1.00 0.29 H new ATOM 0 HE2 PHE A 85 -4.731 0.045 4.741 1.00 0.37 H new ATOM 0 HZ PHE A 85 -5.890 -0.142 2.598 1.00 0.29 H new ATOM 1365 N HIS A 86 -8.407 6.310 7.329 1.00 0.27 N ATOM 1366 CA HIS A 86 -8.576 7.195 8.473 1.00 0.29 C ATOM 1367 C HIS A 86 -9.918 6.930 9.163 1.00 0.31 C ATOM 1368 O HIS A 86 -9.985 6.817 10.386 1.00 0.36 O ATOM 1369 CB HIS A 86 -8.467 8.655 8.017 1.00 0.30 C ATOM 1370 CG HIS A 86 -8.659 9.662 9.110 1.00 0.46 C ATOM 1371 ND1 HIS A 86 -7.834 9.990 10.133 1.00 0.56 N flip ATOM 1372 CD2 HIS A 86 -9.792 10.437 9.178 1.00 0.74 C flip ATOM 1373 CE1 HIS A 86 -8.460 10.981 10.845 1.00 0.75 C flip ATOM 1374 NE2 HIS A 86 -9.631 11.215 10.236 1.00 0.85 N flip ATOM 0 H HIS A 86 -8.303 6.794 6.437 1.00 0.27 H new ATOM 0 HA HIS A 86 -7.786 6.999 9.198 1.00 0.29 H new ATOM 0 HB2 HIS A 86 -7.487 8.809 7.566 1.00 0.30 H new ATOM 0 HB3 HIS A 86 -9.208 8.836 7.239 1.00 0.30 H new ATOM 0 HD2 HIS A 86 -10.638 10.415 8.507 1.00 0.74 H new ATOM 0 HE1 HIS A 86 -8.082 11.477 11.727 1.00 0.75 H new ATOM 0 HE2 HIS A 86 -10.313 11.906 10.549 1.00 0.85 H new ATOM 1382 N SER A 87 -10.976 6.802 8.367 1.00 0.29 N ATOM 1383 CA SER A 87 -12.304 6.505 8.896 1.00 0.35 C ATOM 1384 C SER A 87 -12.334 5.099 9.490 1.00 0.41 C ATOM 1385 O SER A 87 -13.053 4.828 10.452 1.00 0.48 O ATOM 1386 CB SER A 87 -13.356 6.629 7.787 1.00 0.36 C ATOM 1387 OG SER A 87 -14.673 6.443 8.288 1.00 1.31 O ATOM 0 H SER A 87 -10.939 6.899 7.352 1.00 0.29 H new ATOM 0 HA SER A 87 -12.534 7.224 9.682 1.00 0.35 H new ATOM 0 HB2 SER A 87 -13.279 7.611 7.321 1.00 0.36 H new ATOM 0 HB3 SER A 87 -13.155 5.891 7.010 1.00 0.36 H new ATOM 0 HG SER A 87 -15.317 6.530 7.555 1.00 1.31 H new ATOM 1393 N ARG A 88 -11.526 4.212 8.915 1.00 0.40 N ATOM 1394 CA ARG A 88 -11.457 2.824 9.352 1.00 0.46 C ATOM 1395 C ARG A 88 -10.618 2.694 10.628 1.00 0.48 C ATOM 1396 O ARG A 88 -10.403 1.592 11.129 1.00 0.57 O ATOM 1397 CB ARG A 88 -10.868 1.959 8.228 1.00 0.49 C ATOM 1398 CG ARG A 88 -10.998 0.457 8.442 1.00 1.05 C ATOM 1399 CD ARG A 88 -12.444 -0.011 8.379 1.00 1.21 C ATOM 1400 NE ARG A 88 -13.210 0.402 9.555 1.00 1.92 N ATOM 1401 CZ ARG A 88 -14.535 0.522 9.580 1.00 2.62 C ATOM 1402 NH1 ARG A 88 -15.265 0.206 8.520 1.00 2.84 N ATOM 1403 NH2 ARG A 88 -15.138 0.951 10.677 1.00 3.55 N ATOM 0 H ARG A 88 -10.905 4.435 8.137 1.00 0.40 H new ATOM 0 HA ARG A 88 -12.465 2.476 9.579 1.00 0.46 H new ATOM 0 HB2 ARG A 88 -11.359 2.222 7.291 1.00 0.49 H new ATOM 0 HB3 ARG A 88 -9.812 2.205 8.115 1.00 0.49 H new ATOM 0 HG2 ARG A 88 -10.415 -0.068 7.685 1.00 1.05 H new ATOM 0 HG3 ARG A 88 -10.574 0.192 9.411 1.00 1.05 H new ATOM 0 HD2 ARG A 88 -12.915 0.390 7.481 1.00 1.21 H new ATOM 0 HD3 ARG A 88 -12.469 -1.097 8.294 1.00 1.21 H new ATOM 0 HE ARG A 88 -12.695 0.611 10.410 1.00 1.92 H new ATOM 0 HH11 ARG A 88 -14.812 -0.134 7.672 1.00 2.84 H new ATOM 0 HH12 ARG A 88 -16.280 0.303 8.553 1.00 2.84 H new ATOM 0 HH21 ARG A 88 -14.587 1.189 11.502 1.00 3.55 H new ATOM 0 HH22 ARG A 88 -16.154 1.044 10.698 1.00 3.55 H new ATOM 1417 N ASN A 89 -10.169 3.841 11.140 1.00 0.45 N ATOM 1418 CA ASN A 89 -9.369 3.927 12.367 1.00 0.47 C ATOM 1419 C ASN A 89 -7.938 3.458 12.115 1.00 0.48 C ATOM 1420 O ASN A 89 -7.368 2.674 12.874 1.00 0.67 O ATOM 1421 CB ASN A 89 -10.010 3.144 13.526 1.00 0.55 C ATOM 1422 CG ASN A 89 -9.477 3.565 14.888 1.00 0.99 C ATOM 1423 OD1 ASN A 89 -9.969 4.520 15.489 1.00 1.45 O ATOM 1424 ND2 ASN A 89 -8.483 2.847 15.389 1.00 1.98 N ATOM 0 H ASN A 89 -10.352 4.748 10.711 1.00 0.45 H new ATOM 0 HA ASN A 89 -9.340 4.975 12.664 1.00 0.47 H new ATOM 0 HB2 ASN A 89 -11.090 3.289 13.503 1.00 0.55 H new ATOM 0 HB3 ASN A 89 -9.828 2.079 13.383 1.00 0.55 H new ATOM 0 HD21 ASN A 89 -8.098 3.078 16.305 1.00 1.98 H new ATOM 0 HD22 ASN A 89 -8.103 2.063 14.859 1.00 1.98 H new ATOM 1431 N TYR A 90 -7.375 3.926 11.016 1.00 0.39 N ATOM 1432 CA TYR A 90 -5.964 3.730 10.728 1.00 0.38 C ATOM 1433 C TYR A 90 -5.447 4.920 9.924 1.00 0.32 C ATOM 1434 O TYR A 90 -5.279 4.837 8.707 1.00 0.36 O ATOM 1435 CB TYR A 90 -5.731 2.419 9.963 1.00 0.41 C ATOM 1436 CG TYR A 90 -4.278 1.986 9.929 1.00 0.40 C ATOM 1437 CD1 TYR A 90 -3.708 1.334 11.015 1.00 0.45 C ATOM 1438 CD2 TYR A 90 -3.479 2.226 8.817 1.00 0.44 C ATOM 1439 CE1 TYR A 90 -2.387 0.936 10.996 1.00 0.49 C ATOM 1440 CE2 TYR A 90 -2.155 1.829 8.791 1.00 0.46 C ATOM 1441 CZ TYR A 90 -1.613 1.184 9.884 1.00 0.45 C ATOM 1442 OH TYR A 90 -0.295 0.783 9.863 1.00 0.52 O ATOM 0 H TYR A 90 -7.879 4.450 10.301 1.00 0.39 H new ATOM 0 HA TYR A 90 -5.417 3.661 11.669 1.00 0.38 H new ATOM 0 HB2 TYR A 90 -6.326 1.630 10.422 1.00 0.41 H new ATOM 0 HB3 TYR A 90 -6.091 2.536 8.941 1.00 0.41 H new ATOM 0 HD1 TYR A 90 -4.309 1.135 11.890 1.00 0.45 H new ATOM 0 HD2 TYR A 90 -3.899 2.731 7.960 1.00 0.44 H new ATOM 0 HE1 TYR A 90 -1.961 0.431 11.851 1.00 0.49 H new ATOM 0 HE2 TYR A 90 -1.548 2.023 7.919 1.00 0.46 H new ATOM 0 HH TYR A 90 0.109 1.033 9.006 1.00 0.52 H new ATOM 1452 N PRO A 91 -5.221 6.061 10.595 1.00 0.32 N ATOM 1453 CA PRO A 91 -4.731 7.275 9.940 1.00 0.33 C ATOM 1454 C PRO A 91 -3.317 7.100 9.400 1.00 0.33 C ATOM 1455 O PRO A 91 -2.369 6.887 10.162 1.00 0.37 O ATOM 1456 CB PRO A 91 -4.761 8.328 11.052 1.00 0.40 C ATOM 1457 CG PRO A 91 -4.705 7.548 12.320 1.00 0.44 C ATOM 1458 CD PRO A 91 -5.418 6.256 12.043 1.00 0.41 C ATOM 0 HA PRO A 91 -5.337 7.546 9.075 1.00 0.33 H new ATOM 0 HB2 PRO A 91 -3.916 9.012 10.971 1.00 0.40 H new ATOM 0 HB3 PRO A 91 -5.667 8.932 11.000 1.00 0.40 H new ATOM 0 HG2 PRO A 91 -3.673 7.367 12.622 1.00 0.44 H new ATOM 0 HG3 PRO A 91 -5.185 8.092 13.134 1.00 0.44 H new ATOM 0 HD2 PRO A 91 -4.997 5.433 12.620 1.00 0.41 H new ATOM 0 HD3 PRO A 91 -6.475 6.317 12.300 1.00 0.41 H new ATOM 1466 N LEU A 92 -3.187 7.173 8.083 1.00 0.33 N ATOM 1467 CA LEU A 92 -1.894 7.023 7.434 1.00 0.35 C ATOM 1468 C LEU A 92 -0.931 8.120 7.880 1.00 0.38 C ATOM 1469 O LEU A 92 -1.238 9.307 7.787 1.00 0.40 O ATOM 1470 CB LEU A 92 -2.055 7.055 5.912 1.00 0.36 C ATOM 1471 CG LEU A 92 -2.882 5.912 5.317 1.00 0.36 C ATOM 1472 CD1 LEU A 92 -2.971 6.056 3.804 1.00 0.37 C ATOM 1473 CD2 LEU A 92 -2.282 4.564 5.691 1.00 0.45 C ATOM 0 H LEU A 92 -3.964 7.336 7.442 1.00 0.33 H new ATOM 0 HA LEU A 92 -1.478 6.059 7.727 1.00 0.35 H new ATOM 0 HB2 LEU A 92 -2.519 8.001 5.632 1.00 0.36 H new ATOM 0 HB3 LEU A 92 -1.064 7.039 5.458 1.00 0.36 H new ATOM 0 HG LEU A 92 -3.889 5.963 5.730 1.00 0.36 H new ATOM 0 HD11 LEU A 92 -3.562 5.237 3.395 1.00 0.37 H new ATOM 0 HD12 LEU A 92 -3.446 7.005 3.556 1.00 0.37 H new ATOM 0 HD13 LEU A 92 -1.969 6.030 3.376 1.00 0.37 H new ATOM 0 HD21 LEU A 92 -2.884 3.765 5.259 1.00 0.45 H new ATOM 0 HD22 LEU A 92 -1.264 4.500 5.307 1.00 0.45 H new ATOM 0 HD23 LEU A 92 -2.267 4.461 6.776 1.00 0.45 H new ATOM 1485 N LYS A 93 0.229 7.699 8.373 1.00 0.41 N ATOM 1486 CA LYS A 93 1.265 8.620 8.836 1.00 0.46 C ATOM 1487 C LYS A 93 1.886 9.370 7.664 1.00 0.44 C ATOM 1488 O LYS A 93 2.363 10.492 7.812 1.00 0.47 O ATOM 1489 CB LYS A 93 2.352 7.844 9.586 1.00 0.54 C ATOM 1490 CG LYS A 93 1.868 7.214 10.882 1.00 0.73 C ATOM 1491 CD LYS A 93 2.776 6.079 11.327 1.00 0.75 C ATOM 1492 CE LYS A 93 2.658 4.886 10.393 1.00 1.45 C ATOM 1493 NZ LYS A 93 3.463 3.727 10.855 1.00 1.99 N ATOM 0 H LYS A 93 0.478 6.714 8.463 1.00 0.41 H new ATOM 0 HA LYS A 93 0.805 9.346 9.507 1.00 0.46 H new ATOM 0 HB2 LYS A 93 2.742 7.061 8.935 1.00 0.54 H new ATOM 0 HB3 LYS A 93 3.180 8.517 9.807 1.00 0.54 H new ATOM 0 HG2 LYS A 93 1.825 7.974 11.663 1.00 0.73 H new ATOM 0 HG3 LYS A 93 0.854 6.838 10.748 1.00 0.73 H new ATOM 0 HD2 LYS A 93 3.810 6.424 11.352 1.00 0.75 H new ATOM 0 HD3 LYS A 93 2.516 5.778 12.342 1.00 0.75 H new ATOM 0 HE2 LYS A 93 1.612 4.591 10.315 1.00 1.45 H new ATOM 0 HE3 LYS A 93 2.983 5.176 9.394 1.00 1.45 H new ATOM 0 HZ1 LYS A 93 3.378 2.950 10.169 1.00 1.99 H new ATOM 0 HZ2 LYS A 93 4.461 4.008 10.938 1.00 1.99 H new ATOM 0 HZ3 LYS A 93 3.115 3.410 11.782 1.00 1.99 H new ATOM 1507 N PHE A 94 1.869 8.735 6.503 1.00 0.42 N ATOM 1508 CA PHE A 94 2.433 9.317 5.293 1.00 0.43 C ATOM 1509 C PHE A 94 1.498 9.072 4.109 1.00 0.42 C ATOM 1510 O PHE A 94 1.824 8.322 3.191 1.00 0.45 O ATOM 1511 CB PHE A 94 3.827 8.733 5.005 1.00 0.49 C ATOM 1512 CG PHE A 94 4.208 7.566 5.877 1.00 0.44 C ATOM 1513 CD1 PHE A 94 3.581 6.334 5.734 1.00 0.53 C ATOM 1514 CD2 PHE A 94 5.204 7.702 6.829 1.00 0.46 C ATOM 1515 CE1 PHE A 94 3.943 5.264 6.530 1.00 0.62 C ATOM 1516 CE2 PHE A 94 5.568 6.636 7.628 1.00 0.49 C ATOM 1517 CZ PHE A 94 4.937 5.415 7.478 1.00 0.56 C ATOM 0 H PHE A 94 1.467 7.807 6.372 1.00 0.42 H new ATOM 0 HA PHE A 94 2.539 10.391 5.443 1.00 0.43 H new ATOM 0 HB2 PHE A 94 3.867 8.419 3.962 1.00 0.49 H new ATOM 0 HB3 PHE A 94 4.570 9.521 5.129 1.00 0.49 H new ATOM 0 HD1 PHE A 94 2.804 6.212 4.994 1.00 0.53 H new ATOM 0 HD2 PHE A 94 5.702 8.653 6.948 1.00 0.46 H new ATOM 0 HE1 PHE A 94 3.450 4.311 6.411 1.00 0.62 H new ATOM 0 HE2 PHE A 94 6.344 6.756 8.369 1.00 0.49 H new ATOM 0 HZ PHE A 94 5.221 4.580 8.101 1.00 0.56 H new ATOM 1527 N PRO A 95 0.309 9.696 4.120 1.00 0.47 N ATOM 1528 CA PRO A 95 -0.698 9.516 3.068 1.00 0.53 C ATOM 1529 C PRO A 95 -0.302 10.184 1.753 1.00 0.52 C ATOM 1530 O PRO A 95 -0.945 9.987 0.719 1.00 0.58 O ATOM 1531 CB PRO A 95 -1.930 10.179 3.676 1.00 0.63 C ATOM 1532 CG PRO A 95 -1.376 11.256 4.526 1.00 0.63 C ATOM 1533 CD PRO A 95 -0.152 10.654 5.147 1.00 0.54 C ATOM 0 HA PRO A 95 -0.843 8.469 2.800 1.00 0.53 H new ATOM 0 HB2 PRO A 95 -2.589 10.578 2.905 1.00 0.63 H new ATOM 0 HB3 PRO A 95 -2.516 9.471 4.261 1.00 0.63 H new ATOM 0 HG2 PRO A 95 -1.128 12.139 3.937 1.00 0.63 H new ATOM 0 HG3 PRO A 95 -2.092 11.570 5.285 1.00 0.63 H new ATOM 0 HD2 PRO A 95 0.604 11.409 5.362 1.00 0.54 H new ATOM 0 HD3 PRO A 95 -0.381 10.156 6.089 1.00 0.54 H new ATOM 1541 N GLN A 96 0.767 10.971 1.804 1.00 0.48 N ATOM 1542 CA GLN A 96 1.253 11.692 0.636 1.00 0.50 C ATOM 1543 C GLN A 96 2.150 10.779 -0.203 1.00 0.54 C ATOM 1544 O GLN A 96 2.676 11.179 -1.237 1.00 0.62 O ATOM 1545 CB GLN A 96 2.005 12.954 1.088 1.00 0.53 C ATOM 1546 CG GLN A 96 1.924 14.117 0.104 1.00 1.09 C ATOM 1547 CD GLN A 96 3.121 14.209 -0.825 1.00 1.86 C ATOM 1548 OE1 GLN A 96 4.286 13.819 -0.333 1.00 2.61 O flip ATOM 1549 NE2 GLN A 96 3.000 14.661 -1.965 1.00 2.52 N flip ATOM 0 H GLN A 96 1.316 11.126 2.649 1.00 0.48 H new ATOM 0 HA GLN A 96 0.412 11.999 0.014 1.00 0.50 H new ATOM 0 HB2 GLN A 96 1.605 13.277 2.049 1.00 0.53 H new ATOM 0 HB3 GLN A 96 3.053 12.701 1.248 1.00 0.53 H new ATOM 0 HG2 GLN A 96 1.018 14.015 -0.493 1.00 1.09 H new ATOM 0 HG3 GLN A 96 1.835 15.049 0.662 1.00 1.09 H new ATOM 0 HE21 GLN A 96 2.083 14.950 -2.304 1.00 2.52 H new ATOM 0 HE22 GLN A 96 3.817 14.746 -2.569 1.00 2.52 H new ATOM 1558 N LEU A 97 2.303 9.541 0.250 1.00 0.54 N ATOM 1559 CA LEU A 97 3.067 8.547 -0.489 1.00 0.67 C ATOM 1560 C LEU A 97 2.238 7.980 -1.632 1.00 0.73 C ATOM 1561 O LEU A 97 1.021 7.794 -1.506 1.00 1.41 O ATOM 1562 CB LEU A 97 3.504 7.399 0.428 1.00 0.84 C ATOM 1563 CG LEU A 97 4.423 7.774 1.590 1.00 1.07 C ATOM 1564 CD1 LEU A 97 4.752 6.540 2.414 1.00 1.56 C ATOM 1565 CD2 LEU A 97 5.701 8.422 1.086 1.00 1.50 C ATOM 0 H LEU A 97 1.907 9.202 1.127 1.00 0.54 H new ATOM 0 HA LEU A 97 3.952 9.042 -0.889 1.00 0.67 H new ATOM 0 HB2 LEU A 97 2.610 6.928 0.837 1.00 0.84 H new ATOM 0 HB3 LEU A 97 4.010 6.649 -0.180 1.00 0.84 H new ATOM 0 HG LEU A 97 3.901 8.495 2.219 1.00 1.07 H new ATOM 0 HD11 LEU A 97 5.407 6.818 3.239 1.00 1.56 H new ATOM 0 HD12 LEU A 97 3.832 6.111 2.810 1.00 1.56 H new ATOM 0 HD13 LEU A 97 5.253 5.805 1.784 1.00 1.56 H new ATOM 0 HD21 LEU A 97 6.337 8.679 1.933 1.00 1.50 H new ATOM 0 HD22 LEU A 97 6.229 7.726 0.434 1.00 1.50 H new ATOM 0 HD23 LEU A 97 5.455 9.326 0.529 1.00 1.50 H new ATOM 1577 N HIS A 98 2.907 7.727 -2.747 1.00 0.47 N ATOM 1578 CA HIS A 98 2.297 7.076 -3.897 1.00 0.43 C ATOM 1579 C HIS A 98 1.803 5.684 -3.518 1.00 0.49 C ATOM 1580 O HIS A 98 2.530 4.902 -2.896 1.00 0.89 O ATOM 1581 CB HIS A 98 3.309 6.985 -5.045 1.00 0.49 C ATOM 1582 CG HIS A 98 3.696 8.316 -5.624 1.00 0.44 C ATOM 1583 ND1 HIS A 98 3.912 9.413 -4.826 1.00 0.45 N ATOM 1584 CD2 HIS A 98 3.879 8.672 -6.919 1.00 0.56 C ATOM 1585 CE1 HIS A 98 4.217 10.404 -5.644 1.00 0.45 C ATOM 1586 NE2 HIS A 98 4.210 10.003 -6.922 1.00 0.51 N ATOM 0 H HIS A 98 3.889 7.968 -2.880 1.00 0.47 H new ATOM 0 HA HIS A 98 1.443 7.669 -4.225 1.00 0.43 H new ATOM 0 HB2 HIS A 98 4.207 6.482 -4.686 1.00 0.49 H new ATOM 0 HB3 HIS A 98 2.890 6.364 -5.837 1.00 0.49 H new ATOM 0 HD2 HIS A 98 3.783 8.031 -7.783 1.00 0.56 H new ATOM 0 HE1 HIS A 98 4.443 11.410 -5.323 1.00 0.45 H new ATOM 0 HE2 HIS A 98 4.412 10.577 -7.740 1.00 0.51 H new ATOM 1594 N CYS A 99 0.564 5.391 -3.885 1.00 0.34 N ATOM 1595 CA CYS A 99 -0.078 4.135 -3.520 1.00 0.36 C ATOM 1596 C CYS A 99 0.468 2.971 -4.334 1.00 0.34 C ATOM 1597 O CYS A 99 1.022 3.158 -5.417 1.00 0.43 O ATOM 1598 CB CYS A 99 -1.584 4.246 -3.743 1.00 0.44 C ATOM 1599 SG CYS A 99 -2.349 5.638 -2.888 1.00 0.55 S ATOM 0 H CYS A 99 -0.023 6.013 -4.441 1.00 0.34 H new ATOM 0 HA CYS A 99 0.133 3.943 -2.468 1.00 0.36 H new ATOM 0 HB2 CYS A 99 -1.777 4.338 -4.812 1.00 0.44 H new ATOM 0 HB3 CYS A 99 -2.059 3.323 -3.411 1.00 0.44 H new ATOM 0 HG CYS A 99 -3.625 5.652 -3.137 1.00 0.55 H new ATOM 1605 N LEU A 100 0.305 1.770 -3.800 1.00 0.25 N ATOM 1606 CA LEU A 100 0.716 0.556 -4.484 1.00 0.24 C ATOM 1607 C LEU A 100 -0.268 0.233 -5.598 1.00 0.23 C ATOM 1608 O LEU A 100 -1.476 0.363 -5.410 1.00 0.31 O ATOM 1609 CB LEU A 100 0.772 -0.610 -3.496 1.00 0.30 C ATOM 1610 CG LEU A 100 1.350 -1.906 -4.053 1.00 0.31 C ATOM 1611 CD1 LEU A 100 2.846 -1.763 -4.265 1.00 0.32 C ATOM 1612 CD2 LEU A 100 1.046 -3.068 -3.123 1.00 0.47 C ATOM 0 H LEU A 100 -0.114 1.611 -2.884 1.00 0.25 H new ATOM 0 HA LEU A 100 1.707 0.710 -4.911 1.00 0.24 H new ATOM 0 HB2 LEU A 100 1.366 -0.307 -2.634 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -0.237 -0.807 -3.134 1.00 0.30 H new ATOM 0 HG LEU A 100 0.883 -2.112 -5.016 1.00 0.31 H new ATOM 0 HD11 LEU A 100 3.248 -2.695 -4.663 1.00 0.32 H new ATOM 0 HD12 LEU A 100 3.038 -0.954 -4.970 1.00 0.32 H new ATOM 0 HD13 LEU A 100 3.328 -1.537 -3.314 1.00 0.32 H new ATOM 0 HD21 LEU A 100 1.466 -3.985 -3.537 1.00 0.47 H new ATOM 0 HD22 LEU A 100 1.487 -2.876 -2.145 1.00 0.47 H new ATOM 0 HD23 LEU A 100 -0.033 -3.178 -3.019 1.00 0.47 H new ATOM 1624 N ASN A 101 0.243 -0.182 -6.748 1.00 0.21 N ATOM 1625 CA ASN A 101 -0.611 -0.532 -7.875 1.00 0.22 C ATOM 1626 C ASN A 101 -0.604 -2.040 -8.089 1.00 0.22 C ATOM 1627 O ASN A 101 0.350 -2.602 -8.650 1.00 0.22 O ATOM 1628 CB ASN A 101 -0.152 0.185 -9.148 1.00 0.26 C ATOM 1629 CG ASN A 101 -1.048 -0.095 -10.340 1.00 0.30 C ATOM 1630 OD1 ASN A 101 -2.250 -0.309 -10.195 1.00 1.04 O ATOM 1631 ND2 ASN A 101 -0.466 -0.094 -11.530 1.00 1.06 N ATOM 0 H ASN A 101 1.242 -0.285 -6.926 1.00 0.21 H new ATOM 0 HA ASN A 101 -1.628 -0.211 -7.649 1.00 0.22 H new ATOM 0 HB2 ASN A 101 -0.126 1.259 -8.964 1.00 0.26 H new ATOM 0 HB3 ASN A 101 0.866 -0.123 -9.385 1.00 0.26 H new ATOM 0 HD21 ASN A 101 -1.018 -0.275 -12.368 1.00 1.06 H new ATOM 0 HD22 ASN A 101 0.535 0.088 -11.608 1.00 1.06 H new ATOM 1638 N VAL A 102 -1.660 -2.688 -7.616 1.00 0.25 N ATOM 1639 CA VAL A 102 -1.807 -4.129 -7.733 1.00 0.32 C ATOM 1640 C VAL A 102 -3.226 -4.488 -8.151 1.00 0.38 C ATOM 1641 O VAL A 102 -4.049 -3.608 -8.415 1.00 0.37 O ATOM 1642 CB VAL A 102 -1.466 -4.850 -6.408 1.00 0.35 C ATOM 1643 CG1 VAL A 102 0.035 -4.905 -6.197 1.00 0.36 C ATOM 1644 CG2 VAL A 102 -2.132 -4.159 -5.228 1.00 0.32 C ATOM 0 H VAL A 102 -2.437 -2.228 -7.141 1.00 0.25 H new ATOM 0 HA VAL A 102 -1.104 -4.462 -8.496 1.00 0.32 H new ATOM 0 HB VAL A 102 -1.848 -5.869 -6.475 1.00 0.35 H new ATOM 0 HG11 VAL A 102 0.252 -5.416 -5.259 1.00 0.36 H new ATOM 0 HG12 VAL A 102 0.499 -5.447 -7.021 1.00 0.36 H new ATOM 0 HG13 VAL A 102 0.434 -3.892 -6.159 1.00 0.36 H new ATOM 0 HG21 VAL A 102 -1.877 -4.684 -4.308 1.00 0.32 H new ATOM 0 HG22 VAL A 102 -1.783 -3.128 -5.166 1.00 0.32 H new ATOM 0 HG23 VAL A 102 -3.213 -4.169 -5.364 1.00 0.32 H new ATOM 1654 N GLY A 103 -3.506 -5.782 -8.209 1.00 0.50 N ATOM 1655 CA GLY A 103 -4.827 -6.238 -8.578 1.00 0.60 C ATOM 1656 C GLY A 103 -4.879 -6.703 -10.016 1.00 0.69 C ATOM 1657 O GLY A 103 -4.358 -7.767 -10.353 1.00 0.82 O ATOM 0 H GLY A 103 -2.838 -6.525 -8.006 1.00 0.50 H new ATOM 0 HA2 GLY A 103 -5.126 -7.054 -7.921 1.00 0.60 H new ATOM 0 HA3 GLY A 103 -5.545 -5.431 -8.431 1.00 0.60 H new ATOM 1661 N SER A 104 -5.504 -5.902 -10.862 1.00 0.69 N ATOM 1662 CA SER A 104 -5.603 -6.202 -12.278 1.00 0.79 C ATOM 1663 C SER A 104 -5.729 -4.909 -13.077 1.00 0.82 C ATOM 1664 O SER A 104 -5.702 -3.818 -12.501 1.00 0.75 O ATOM 1665 CB SER A 104 -6.801 -7.118 -12.542 1.00 0.95 C ATOM 1666 OG SER A 104 -7.986 -6.569 -11.992 1.00 1.63 O ATOM 0 H SER A 104 -5.955 -5.029 -10.587 1.00 0.69 H new ATOM 0 HA SER A 104 -4.698 -6.720 -12.596 1.00 0.79 H new ATOM 0 HB2 SER A 104 -6.925 -7.261 -13.615 1.00 0.95 H new ATOM 0 HB3 SER A 104 -6.615 -8.101 -12.109 1.00 0.95 H new ATOM 0 HG SER A 104 -7.755 -5.845 -11.374 1.00 1.63 H new ATOM 1672 N SER A 105 -5.867 -5.022 -14.385 1.00 0.99 N ATOM 1673 CA SER A 105 -6.044 -3.851 -15.227 1.00 1.12 C ATOM 1674 C SER A 105 -7.474 -3.331 -15.115 1.00 1.19 C ATOM 1675 O SER A 105 -7.705 -2.123 -15.041 1.00 1.31 O ATOM 1676 CB SER A 105 -5.716 -4.191 -16.680 1.00 1.36 C ATOM 1677 OG SER A 105 -4.438 -4.795 -16.778 1.00 1.63 O ATOM 0 H SER A 105 -5.860 -5.910 -14.887 1.00 0.99 H new ATOM 0 HA SER A 105 -5.362 -3.071 -14.889 1.00 1.12 H new ATOM 0 HB2 SER A 105 -6.473 -4.865 -17.081 1.00 1.36 H new ATOM 0 HB3 SER A 105 -5.743 -3.285 -17.285 1.00 1.36 H new ATOM 0 HG SER A 105 -4.247 -5.007 -17.716 1.00 1.63 H new ATOM 1683 N ILE A 106 -8.431 -4.255 -15.087 1.00 1.22 N ATOM 1684 CA ILE A 106 -9.838 -3.892 -14.971 1.00 1.35 C ATOM 1685 C ILE A 106 -10.180 -3.489 -13.541 1.00 1.21 C ATOM 1686 O ILE A 106 -11.079 -2.680 -13.310 1.00 1.38 O ATOM 1687 CB ILE A 106 -10.767 -5.038 -15.421 1.00 1.52 C ATOM 1688 CG1 ILE A 106 -10.527 -6.297 -14.579 1.00 1.94 C ATOM 1689 CG2 ILE A 106 -10.548 -5.328 -16.899 1.00 1.92 C ATOM 1690 CD1 ILE A 106 -11.477 -7.433 -14.888 1.00 2.18 C ATOM 0 H ILE A 106 -8.257 -5.258 -15.143 1.00 1.22 H new ATOM 0 HA ILE A 106 -10.000 -3.042 -15.633 1.00 1.35 H new ATOM 0 HB ILE A 106 -11.802 -4.730 -15.272 1.00 1.52 H new ATOM 0 HG12 ILE A 106 -9.504 -6.639 -14.738 1.00 1.94 H new ATOM 0 HG13 ILE A 106 -10.616 -6.039 -13.524 1.00 1.94 H new ATOM 0 HG21 ILE A 106 -11.206 -6.138 -17.212 1.00 1.92 H new ATOM 0 HG22 ILE A 106 -10.770 -4.434 -17.482 1.00 1.92 H new ATOM 0 HG23 ILE A 106 -9.511 -5.620 -17.063 1.00 1.92 H new ATOM 0 HD11 ILE A 106 -11.243 -8.286 -14.252 1.00 2.18 H new ATOM 0 HD12 ILE A 106 -12.502 -7.111 -14.701 1.00 2.18 H new ATOM 0 HD13 ILE A 106 -11.372 -7.721 -15.934 1.00 2.18 H new ATOM 1702 N LYS A 107 -9.460 -4.057 -12.583 1.00 0.98 N ATOM 1703 CA LYS A 107 -9.636 -3.699 -11.188 1.00 0.86 C ATOM 1704 C LYS A 107 -8.284 -3.448 -10.537 1.00 0.69 C ATOM 1705 O LYS A 107 -7.677 -4.355 -9.960 1.00 0.64 O ATOM 1706 CB LYS A 107 -10.389 -4.799 -10.428 1.00 0.93 C ATOM 1707 CG LYS A 107 -10.717 -4.424 -8.988 1.00 0.89 C ATOM 1708 CD LYS A 107 -11.415 -5.557 -8.250 1.00 1.01 C ATOM 1709 CE LYS A 107 -11.870 -5.121 -6.864 1.00 1.00 C ATOM 1710 NZ LYS A 107 -12.829 -3.985 -6.932 1.00 1.41 N ATOM 0 H LYS A 107 -8.748 -4.768 -12.750 1.00 0.98 H new ATOM 0 HA LYS A 107 -10.230 -2.786 -11.144 1.00 0.86 H new ATOM 0 HB2 LYS A 107 -11.315 -5.027 -10.956 1.00 0.93 H new ATOM 0 HB3 LYS A 107 -9.788 -5.709 -10.431 1.00 0.93 H new ATOM 0 HG2 LYS A 107 -9.798 -4.161 -8.463 1.00 0.89 H new ATOM 0 HG3 LYS A 107 -11.353 -3.539 -8.980 1.00 0.89 H new ATOM 0 HD2 LYS A 107 -12.276 -5.894 -8.828 1.00 1.01 H new ATOM 0 HD3 LYS A 107 -10.738 -6.407 -8.162 1.00 1.01 H new ATOM 0 HE2 LYS A 107 -12.338 -5.962 -6.353 1.00 1.00 H new ATOM 0 HE3 LYS A 107 -11.003 -4.830 -6.271 1.00 1.00 H new ATOM 0 HZ1 LYS A 107 -13.368 -3.932 -6.044 1.00 1.41 H new ATOM 0 HZ2 LYS A 107 -12.306 -3.097 -7.073 1.00 1.41 H new ATOM 0 HZ3 LYS A 107 -13.484 -4.131 -7.727 1.00 1.41 H new ATOM 1724 N SER A 108 -7.800 -2.224 -10.660 1.00 0.64 N ATOM 1725 CA SER A 108 -6.575 -1.827 -9.997 1.00 0.52 C ATOM 1726 C SER A 108 -6.894 -1.386 -8.577 1.00 0.44 C ATOM 1727 O SER A 108 -7.840 -0.633 -8.351 1.00 0.46 O ATOM 1728 CB SER A 108 -5.896 -0.694 -10.772 1.00 0.55 C ATOM 1729 OG SER A 108 -5.619 -1.089 -12.106 1.00 1.25 O ATOM 0 H SER A 108 -8.239 -1.489 -11.214 1.00 0.64 H new ATOM 0 HA SER A 108 -5.889 -2.674 -9.963 1.00 0.52 H new ATOM 0 HB2 SER A 108 -6.539 0.186 -10.775 1.00 0.55 H new ATOM 0 HB3 SER A 108 -4.970 -0.410 -10.273 1.00 0.55 H new ATOM 0 HG SER A 108 -5.664 -2.066 -12.174 1.00 1.25 H new ATOM 1735 N ILE A 109 -6.126 -1.875 -7.625 1.00 0.37 N ATOM 1736 CA ILE A 109 -6.337 -1.525 -6.234 1.00 0.33 C ATOM 1737 C ILE A 109 -5.125 -0.786 -5.696 1.00 0.30 C ATOM 1738 O ILE A 109 -3.985 -1.228 -5.869 1.00 0.28 O ATOM 1739 CB ILE A 109 -6.618 -2.770 -5.361 1.00 0.34 C ATOM 1740 CG1 ILE A 109 -5.544 -3.840 -5.585 1.00 0.39 C ATOM 1741 CG2 ILE A 109 -8.003 -3.324 -5.662 1.00 0.37 C ATOM 1742 CD1 ILE A 109 -5.669 -5.043 -4.676 1.00 0.44 C ATOM 0 H ILE A 109 -5.350 -2.516 -7.788 1.00 0.37 H new ATOM 0 HA ILE A 109 -7.215 -0.880 -6.187 1.00 0.33 H new ATOM 0 HB ILE A 109 -6.586 -2.473 -4.313 1.00 0.34 H new ATOM 0 HG12 ILE A 109 -5.591 -4.175 -6.621 1.00 0.39 H new ATOM 0 HG13 ILE A 109 -4.562 -3.389 -5.440 1.00 0.39 H new ATOM 0 HG21 ILE A 109 -8.187 -4.200 -5.040 1.00 0.37 H new ATOM 0 HG22 ILE A 109 -8.754 -2.563 -5.448 1.00 0.37 H new ATOM 0 HG23 ILE A 109 -8.061 -3.606 -6.713 1.00 0.37 H new ATOM 0 HD11 ILE A 109 -4.872 -5.752 -4.899 1.00 0.44 H new ATOM 0 HD12 ILE A 109 -5.590 -4.724 -3.637 1.00 0.44 H new ATOM 0 HD13 ILE A 109 -6.635 -5.521 -4.836 1.00 0.44 H new ATOM 1754 N LEU A 110 -5.371 0.354 -5.076 1.00 0.30 N ATOM 1755 CA LEU A 110 -4.299 1.167 -4.536 1.00 0.29 C ATOM 1756 C LEU A 110 -4.186 0.933 -3.038 1.00 0.25 C ATOM 1757 O LEU A 110 -5.136 1.161 -2.291 1.00 0.26 O ATOM 1758 CB LEU A 110 -4.556 2.645 -4.827 1.00 0.35 C ATOM 1759 CG LEU A 110 -4.871 2.976 -6.291 1.00 0.45 C ATOM 1760 CD1 LEU A 110 -5.027 4.478 -6.477 1.00 0.96 C ATOM 1761 CD2 LEU A 110 -3.787 2.432 -7.208 1.00 1.32 C ATOM 0 H LEU A 110 -6.306 0.737 -4.934 1.00 0.30 H new ATOM 0 HA LEU A 110 -3.360 0.883 -5.012 1.00 0.29 H new ATOM 0 HB2 LEU A 110 -5.387 2.982 -4.208 1.00 0.35 H new ATOM 0 HB3 LEU A 110 -3.680 3.217 -4.522 1.00 0.35 H new ATOM 0 HG LEU A 110 -5.814 2.498 -6.556 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -5.250 4.694 -7.522 1.00 0.96 H new ATOM 0 HD12 LEU A 110 -5.842 4.840 -5.850 1.00 0.96 H new ATOM 0 HD13 LEU A 110 -4.101 4.978 -6.193 1.00 0.96 H new ATOM 0 HD21 LEU A 110 -4.029 2.677 -8.242 1.00 1.32 H new ATOM 0 HD22 LEU A 110 -2.829 2.879 -6.944 1.00 1.32 H new ATOM 0 HD23 LEU A 110 -3.726 1.349 -7.096 1.00 1.32 H new ATOM 1773 N LEU A 111 -3.021 0.491 -2.602 1.00 0.23 N ATOM 1774 CA LEU A 111 -2.834 0.104 -1.213 1.00 0.23 C ATOM 1775 C LEU A 111 -1.657 0.842 -0.592 1.00 0.24 C ATOM 1776 O LEU A 111 -0.700 1.195 -1.280 1.00 0.22 O ATOM 1777 CB LEU A 111 -2.610 -1.409 -1.118 1.00 0.22 C ATOM 1778 CG LEU A 111 -3.781 -2.274 -1.596 1.00 0.23 C ATOM 1779 CD1 LEU A 111 -3.412 -3.747 -1.541 1.00 0.23 C ATOM 1780 CD2 LEU A 111 -5.024 -2.006 -0.759 1.00 0.28 C ATOM 0 H LEU A 111 -2.191 0.391 -3.186 1.00 0.23 H new ATOM 0 HA LEU A 111 -3.734 0.373 -0.661 1.00 0.23 H new ATOM 0 HB2 LEU A 111 -1.727 -1.667 -1.702 1.00 0.22 H new ATOM 0 HB3 LEU A 111 -2.391 -1.663 -0.081 1.00 0.22 H new ATOM 0 HG LEU A 111 -4.001 -2.010 -2.631 1.00 0.23 H new ATOM 0 HD11 LEU A 111 -4.255 -4.346 -1.884 1.00 0.23 H new ATOM 0 HD12 LEU A 111 -2.551 -3.931 -2.184 1.00 0.23 H new ATOM 0 HD13 LEU A 111 -3.165 -4.022 -0.516 1.00 0.23 H new ATOM 0 HD21 LEU A 111 -5.844 -2.630 -1.115 1.00 0.28 H new ATOM 0 HD22 LEU A 111 -4.817 -2.240 0.285 1.00 0.28 H new ATOM 0 HD23 LEU A 111 -5.303 -0.956 -0.847 1.00 0.28 H new ATOM 1792 N PRO A 112 -1.729 1.114 0.718 1.00 0.29 N ATOM 1793 CA PRO A 112 -0.617 1.693 1.465 1.00 0.32 C ATOM 1794 C PRO A 112 0.572 0.749 1.491 1.00 0.28 C ATOM 1795 O PRO A 112 0.482 -0.354 2.031 1.00 0.29 O ATOM 1796 CB PRO A 112 -1.178 1.885 2.880 1.00 0.41 C ATOM 1797 CG PRO A 112 -2.656 1.836 2.716 1.00 0.36 C ATOM 1798 CD PRO A 112 -2.904 0.897 1.573 1.00 0.36 C ATOM 0 HA PRO A 112 -0.259 2.622 1.021 1.00 0.32 H new ATOM 0 HB2 PRO A 112 -0.829 1.102 3.553 1.00 0.41 H new ATOM 0 HB3 PRO A 112 -0.859 2.836 3.306 1.00 0.41 H new ATOM 0 HG2 PRO A 112 -3.140 1.482 3.626 1.00 0.36 H new ATOM 0 HG3 PRO A 112 -3.060 2.826 2.505 1.00 0.36 H new ATOM 0 HD2 PRO A 112 -2.976 -0.138 1.907 1.00 0.36 H new ATOM 0 HD3 PRO A 112 -3.833 1.129 1.052 1.00 0.36 H new ATOM 1806 N ILE A 113 1.675 1.184 0.888 1.00 0.27 N ATOM 1807 CA ILE A 113 2.938 0.443 0.919 1.00 0.28 C ATOM 1808 C ILE A 113 3.342 0.147 2.373 1.00 0.26 C ATOM 1809 O ILE A 113 4.095 -0.781 2.657 1.00 0.29 O ATOM 1810 CB ILE A 113 4.044 1.244 0.181 1.00 0.35 C ATOM 1811 CG1 ILE A 113 5.379 0.511 0.202 1.00 0.47 C ATOM 1812 CG2 ILE A 113 4.207 2.624 0.795 1.00 0.36 C ATOM 1813 CD1 ILE A 113 6.483 1.232 -0.547 1.00 0.69 C ATOM 0 H ILE A 113 1.721 2.058 0.364 1.00 0.27 H new ATOM 0 HA ILE A 113 2.808 -0.509 0.404 1.00 0.28 H new ATOM 0 HB ILE A 113 3.729 1.347 -0.857 1.00 0.35 H new ATOM 0 HG12 ILE A 113 5.688 0.368 1.237 1.00 0.47 H new ATOM 0 HG13 ILE A 113 5.246 -0.480 -0.231 1.00 0.47 H new ATOM 0 HG21 ILE A 113 4.987 3.169 0.263 1.00 0.36 H new ATOM 0 HG22 ILE A 113 3.266 3.170 0.719 1.00 0.36 H new ATOM 0 HG23 ILE A 113 4.485 2.525 1.844 1.00 0.36 H new ATOM 0 HD11 ILE A 113 7.403 0.650 -0.488 1.00 0.69 H new ATOM 0 HD12 ILE A 113 6.196 1.352 -1.592 1.00 0.69 H new ATOM 0 HD13 ILE A 113 6.645 2.213 -0.100 1.00 0.69 H new ATOM 1825 N GLU A 114 2.806 0.963 3.272 1.00 0.27 N ATOM 1826 CA GLU A 114 2.932 0.783 4.714 1.00 0.34 C ATOM 1827 C GLU A 114 2.411 -0.589 5.172 1.00 0.33 C ATOM 1828 O GLU A 114 2.983 -1.216 6.065 1.00 0.42 O ATOM 1829 CB GLU A 114 2.135 1.909 5.384 1.00 0.38 C ATOM 1830 CG GLU A 114 1.717 1.639 6.819 1.00 0.45 C ATOM 1831 CD GLU A 114 2.847 1.795 7.819 1.00 1.16 C ATOM 1832 OE1 GLU A 114 4.023 1.666 7.429 1.00 1.74 O ATOM 1833 OE2 GLU A 114 2.555 2.042 9.007 1.00 1.77 O ATOM 0 H GLU A 114 2.260 1.785 3.014 1.00 0.27 H new ATOM 0 HA GLU A 114 3.984 0.822 4.997 1.00 0.34 H new ATOM 0 HB2 GLU A 114 2.734 2.819 5.362 1.00 0.38 H new ATOM 0 HB3 GLU A 114 1.240 2.102 4.792 1.00 0.38 H new ATOM 0 HG2 GLU A 114 0.909 2.319 7.087 1.00 0.45 H new ATOM 0 HG3 GLU A 114 1.318 0.627 6.888 1.00 0.45 H new ATOM 1840 N LEU A 115 1.333 -1.052 4.550 1.00 0.27 N ATOM 1841 CA LEU A 115 0.682 -2.300 4.953 1.00 0.31 C ATOM 1842 C LEU A 115 1.037 -3.426 4.001 1.00 0.26 C ATOM 1843 O LEU A 115 0.508 -4.535 4.101 1.00 0.30 O ATOM 1844 CB LEU A 115 -0.836 -2.118 4.994 1.00 0.44 C ATOM 1845 CG LEU A 115 -1.339 -1.078 5.992 1.00 0.50 C ATOM 1846 CD1 LEU A 115 -2.815 -0.808 5.775 1.00 0.95 C ATOM 1847 CD2 LEU A 115 -1.092 -1.542 7.417 1.00 0.80 C ATOM 0 H LEU A 115 0.888 -0.583 3.762 1.00 0.27 H new ATOM 0 HA LEU A 115 1.039 -2.560 5.949 1.00 0.31 H new ATOM 0 HB2 LEU A 115 -1.179 -1.838 3.998 1.00 0.44 H new ATOM 0 HB3 LEU A 115 -1.295 -3.078 5.232 1.00 0.44 H new ATOM 0 HG LEU A 115 -0.788 -0.152 5.830 1.00 0.50 H new ATOM 0 HD11 LEU A 115 -3.158 -0.064 6.494 1.00 0.95 H new ATOM 0 HD12 LEU A 115 -2.972 -0.434 4.763 1.00 0.95 H new ATOM 0 HD13 LEU A 115 -3.378 -1.732 5.911 1.00 0.95 H new ATOM 0 HD21 LEU A 115 -1.457 -0.788 8.114 1.00 0.80 H new ATOM 0 HD22 LEU A 115 -1.618 -2.481 7.590 1.00 0.80 H new ATOM 0 HD23 LEU A 115 -0.023 -1.691 7.571 1.00 0.80 H new ATOM 1859 N CYS A 116 1.935 -3.139 3.083 1.00 0.23 N ATOM 1860 CA CYS A 116 2.400 -4.138 2.147 1.00 0.24 C ATOM 1861 C CYS A 116 3.689 -4.738 2.672 1.00 0.24 C ATOM 1862 O CYS A 116 4.650 -4.020 2.940 1.00 0.37 O ATOM 1863 CB CYS A 116 2.607 -3.501 0.775 1.00 0.25 C ATOM 1864 SG CYS A 116 1.157 -2.606 0.171 1.00 0.28 S ATOM 0 H CYS A 116 2.358 -2.219 2.965 1.00 0.23 H new ATOM 0 HA CYS A 116 1.660 -4.931 2.041 1.00 0.24 H new ATOM 0 HB2 CYS A 116 3.453 -2.815 0.825 1.00 0.25 H new ATOM 0 HB3 CYS A 116 2.869 -4.279 0.058 1.00 0.25 H new ATOM 0 HG CYS A 116 0.747 -1.777 1.084 1.00 0.28 H new ATOM 1870 N SER A 117 3.704 -6.043 2.851 1.00 0.22 N ATOM 1871 CA SER A 117 4.839 -6.702 3.462 1.00 0.25 C ATOM 1872 C SER A 117 5.466 -7.720 2.509 1.00 0.27 C ATOM 1873 O SER A 117 4.859 -8.726 2.171 1.00 0.35 O ATOM 1874 CB SER A 117 4.387 -7.348 4.775 1.00 0.27 C ATOM 1875 OG SER A 117 5.415 -8.116 5.367 1.00 0.34 O ATOM 0 H SER A 117 2.944 -6.667 2.582 1.00 0.22 H new ATOM 0 HA SER A 117 5.615 -5.968 3.680 1.00 0.25 H new ATOM 0 HB2 SER A 117 4.068 -6.572 5.470 1.00 0.27 H new ATOM 0 HB3 SER A 117 3.521 -7.983 4.588 1.00 0.27 H new ATOM 0 HG SER A 117 5.089 -8.510 6.203 1.00 0.34 H new ATOM 1881 N ILE A 118 6.698 -7.451 2.110 1.00 0.23 N ATOM 1882 CA ILE A 118 7.410 -8.270 1.135 1.00 0.22 C ATOM 1883 C ILE A 118 7.781 -9.618 1.736 1.00 0.24 C ATOM 1884 O ILE A 118 8.535 -9.689 2.704 1.00 0.28 O ATOM 1885 CB ILE A 118 8.698 -7.549 0.669 1.00 0.24 C ATOM 1886 CG1 ILE A 118 8.340 -6.268 -0.083 1.00 0.41 C ATOM 1887 CG2 ILE A 118 9.571 -8.460 -0.187 1.00 0.25 C ATOM 1888 CD1 ILE A 118 9.541 -5.480 -0.560 1.00 0.50 C ATOM 0 H ILE A 118 7.237 -6.656 2.453 1.00 0.23 H new ATOM 0 HA ILE A 118 6.751 -8.428 0.281 1.00 0.22 H new ATOM 0 HB ILE A 118 9.278 -7.285 1.553 1.00 0.24 H new ATOM 0 HG12 ILE A 118 7.721 -6.524 -0.943 1.00 0.41 H new ATOM 0 HG13 ILE A 118 7.736 -5.634 0.566 1.00 0.41 H new ATOM 0 HG21 ILE A 118 10.466 -7.921 -0.496 1.00 0.25 H new ATOM 0 HG22 ILE A 118 9.858 -9.338 0.392 1.00 0.25 H new ATOM 0 HG23 ILE A 118 9.014 -8.774 -1.070 1.00 0.25 H new ATOM 0 HD11 ILE A 118 9.204 -4.586 -1.084 1.00 0.50 H new ATOM 0 HD12 ILE A 118 10.150 -5.191 0.296 1.00 0.50 H new ATOM 0 HD13 ILE A 118 10.135 -6.095 -1.236 1.00 0.50 H new ATOM 1900 N GLU A 119 7.256 -10.684 1.154 1.00 0.35 N ATOM 1901 CA GLU A 119 7.471 -12.017 1.697 1.00 0.49 C ATOM 1902 C GLU A 119 8.780 -12.588 1.163 1.00 0.52 C ATOM 1903 O GLU A 119 9.222 -12.240 0.063 1.00 0.63 O ATOM 1904 CB GLU A 119 6.294 -12.932 1.345 1.00 0.72 C ATOM 1905 CG GLU A 119 6.383 -14.325 1.950 1.00 1.01 C ATOM 1906 CD GLU A 119 6.350 -14.310 3.464 1.00 1.60 C ATOM 1907 OE1 GLU A 119 5.237 -14.311 4.030 1.00 1.77 O ATOM 1908 OE2 GLU A 119 7.435 -14.291 4.085 1.00 2.30 O ATOM 0 H GLU A 119 6.682 -10.654 0.312 1.00 0.35 H new ATOM 0 HA GLU A 119 7.537 -11.953 2.783 1.00 0.49 H new ATOM 0 HB2 GLU A 119 5.370 -12.461 1.680 1.00 0.72 H new ATOM 0 HB3 GLU A 119 6.231 -13.023 0.261 1.00 0.72 H new ATOM 0 HG2 GLU A 119 5.556 -14.931 1.579 1.00 1.01 H new ATOM 0 HG3 GLU A 119 7.304 -14.803 1.616 1.00 1.01 H new ATOM 1915 N GLU A 120 9.389 -13.456 1.977 1.00 0.67 N ATOM 1916 CA GLU A 120 10.753 -13.952 1.765 1.00 0.86 C ATOM 1917 C GLU A 120 10.993 -14.481 0.351 1.00 1.01 C ATOM 1918 O GLU A 120 12.114 -14.385 -0.159 1.00 1.25 O ATOM 1919 CB GLU A 120 11.102 -15.026 2.801 1.00 1.16 C ATOM 1920 CG GLU A 120 10.053 -16.116 2.943 1.00 1.77 C ATOM 1921 CD GLU A 120 10.466 -17.184 3.931 1.00 2.40 C ATOM 1922 OE1 GLU A 120 10.480 -16.900 5.145 1.00 2.64 O ATOM 1923 OE2 GLU A 120 10.767 -18.321 3.501 1.00 2.91 O ATOM 0 H GLU A 120 8.944 -13.838 2.811 1.00 0.67 H new ATOM 0 HA GLU A 120 11.413 -13.094 1.891 1.00 0.86 H new ATOM 0 HB2 GLU A 120 12.052 -15.485 2.527 1.00 1.16 H new ATOM 0 HB3 GLU A 120 11.247 -14.548 3.770 1.00 1.16 H new ATOM 0 HG2 GLU A 120 9.111 -15.671 3.264 1.00 1.77 H new ATOM 0 HG3 GLU A 120 9.874 -16.574 1.970 1.00 1.77 H new