USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 827 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 43 LYS NZ :NH3+ 172:sc= -1.3 (180deg=-1.97) USER MOD Set 1.2: A 87 TYR OH : rot 110:sc= 0.541 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.01) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 159:sc= -0.0249 (180deg=-0.185) USER MOD Single : A 40 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0286) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 95:sc= 0.535 USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 1.01 (180deg=1) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 56 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.5) USER MOD Single : A 58 GLN : amide:sc= -1.83 K(o=-1.8,f=-0.98) USER MOD Single : A 60 HIS : no HD1:sc= -0.0842 X(o=-0.084,f=-0.23) USER MOD Single : A 62 SER OG : rot 73:sc= 0.577 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -29:sc= 0.0486 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -125:sc= 0.11 USER MOD Single : A 75 HIS : no HD1:sc= -0.0342 X(o=-0.034,f=0) USER MOD Single : A 77 THR OG1 : rot 102:sc= 0.0442 USER MOD Single : A 80 GLN : amide:sc= -2.29 K(o=-2.3,f=-0.95) USER MOD Single : A 84 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 89 CYS SG : rot 90:sc= 1.81 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -24:sc= -4.52! USER MOD Single : A 94 LYS NZ :NH3+ -173:sc= -2.67! (180deg=-2.89!) USER MOD Single : A 96 LYS NZ :NH3+ -153:sc= 1.3 (180deg=1.05) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -140:sc= -1.34 USER MOD Single : A 101 ASN : amide:sc= 0.26 K(o=0.26,f=-0.47) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 105 THR OG1 : rot 180:sc=-0.00179 USER MOD Single : A 107 HIS : no HD1:sc= -0.543 K(o=-0.54,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -19.860 -8.781 -0.212 1.00 0.70 N ATOM 14 CA ASP A 2 -20.832 -8.374 -1.175 1.00 0.72 C ATOM 15 C ASP A 2 -20.146 -7.988 -2.479 1.00 0.70 C ATOM 16 O ASP A 2 -18.919 -7.820 -2.502 1.00 0.75 O ATOM 17 CB ASP A 2 -21.520 -7.167 -0.593 1.00 0.79 C ATOM 18 CG ASP A 2 -22.393 -7.492 0.595 1.00 1.04 C ATOM 19 OD1 ASP A 2 -23.575 -7.824 0.401 1.00 1.11 O ATOM 20 OD2 ASP A 2 -21.890 -7.385 1.734 1.00 1.65 O ATOM 0 HA ASP A 2 -21.536 -9.178 -1.389 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -20.767 -6.438 -0.293 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -22.129 -6.697 -1.365 1.00 0.79 H new ATOM 25 N PRO A 3 -20.904 -7.831 -3.574 1.00 0.71 N ATOM 26 CA PRO A 3 -20.363 -7.315 -4.833 1.00 0.72 C ATOM 27 C PRO A 3 -19.950 -5.848 -4.717 1.00 0.66 C ATOM 28 O PRO A 3 -20.747 -4.937 -4.943 1.00 0.97 O ATOM 29 CB PRO A 3 -21.512 -7.489 -5.830 1.00 0.84 C ATOM 30 CG PRO A 3 -22.746 -7.540 -4.993 1.00 0.94 C ATOM 31 CD PRO A 3 -22.340 -8.163 -3.686 1.00 0.81 C ATOM 0 HA PRO A 3 -19.458 -7.841 -5.136 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -21.549 -6.661 -6.538 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -21.393 -8.402 -6.414 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -23.153 -6.541 -4.838 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -23.523 -8.129 -5.480 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -22.912 -7.755 -2.853 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -22.503 -9.241 -3.688 1.00 0.81 H new ATOM 39 N ILE A 4 -18.712 -5.639 -4.304 1.00 0.45 N ATOM 40 CA ILE A 4 -18.140 -4.301 -4.193 1.00 0.41 C ATOM 41 C ILE A 4 -17.100 -4.103 -5.277 1.00 0.41 C ATOM 42 O ILE A 4 -17.264 -3.279 -6.176 1.00 0.50 O ATOM 43 CB ILE A 4 -17.494 -4.065 -2.795 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.538 -3.583 -1.789 1.00 0.42 C ATOM 45 CG2 ILE A 4 -16.343 -3.065 -2.850 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.516 -4.648 -1.380 1.00 0.46 C ATOM 0 H ILE A 4 -18.073 -6.388 -4.036 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.947 -3.578 -4.313 1.00 0.41 H new ATOM 0 HB ILE A 4 -17.091 -5.025 -2.473 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -18.029 -3.209 -0.901 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -19.086 -2.745 -2.220 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.926 -2.935 -1.851 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.569 -3.438 -3.521 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.711 -2.107 -3.218 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -20.227 -4.234 -0.665 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -20.052 -5.006 -2.259 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.979 -5.477 -0.919 1.00 0.46 H new ATOM 58 N GLY A 5 -16.034 -4.876 -5.184 1.00 0.36 N ATOM 59 CA GLY A 5 -14.933 -4.699 -6.094 1.00 0.39 C ATOM 60 C GLY A 5 -13.928 -3.785 -5.457 1.00 0.33 C ATOM 61 O GLY A 5 -13.463 -2.812 -6.047 1.00 0.33 O ATOM 0 H GLY A 5 -15.913 -5.620 -4.497 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.476 -5.661 -6.326 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -15.284 -4.277 -7.036 1.00 0.39 H new ATOM 65 N LEU A 6 -13.621 -4.134 -4.222 1.00 0.32 N ATOM 66 CA LEU A 6 -12.818 -3.327 -3.328 1.00 0.29 C ATOM 67 C LEU A 6 -11.428 -3.127 -3.907 1.00 0.29 C ATOM 68 O LEU A 6 -10.807 -2.078 -3.745 1.00 0.33 O ATOM 69 CB LEU A 6 -12.743 -4.065 -1.995 1.00 0.29 C ATOM 70 CG LEU A 6 -12.629 -3.211 -0.745 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.793 -2.244 -0.623 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.571 -4.119 0.455 1.00 0.28 C ATOM 0 H LEU A 6 -13.932 -5.010 -3.803 1.00 0.32 H new ATOM 0 HA LEU A 6 -13.262 -2.341 -3.193 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.633 -4.688 -1.901 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.885 -4.737 -2.027 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.720 -2.613 -0.806 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.678 -1.649 0.283 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.810 -1.584 -1.490 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.727 -2.803 -0.574 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.489 -3.519 1.361 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.478 -4.722 0.500 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.704 -4.774 0.374 1.00 0.28 H new ATOM 84 N PHE A 7 -10.968 -4.141 -4.608 1.00 0.30 N ATOM 85 CA PHE A 7 -9.665 -4.118 -5.213 1.00 0.32 C ATOM 86 C PHE A 7 -9.758 -3.583 -6.633 1.00 0.29 C ATOM 87 O PHE A 7 -9.880 -4.337 -7.595 1.00 0.32 O ATOM 88 CB PHE A 7 -9.064 -5.520 -5.188 1.00 0.41 C ATOM 89 CG PHE A 7 -7.755 -5.593 -4.466 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.637 -5.121 -3.168 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.646 -6.136 -5.082 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.432 -5.186 -2.502 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.441 -6.204 -4.422 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.334 -5.730 -3.131 1.00 0.61 C ATOM 0 H PHE A 7 -11.491 -5.001 -4.771 1.00 0.30 H new ATOM 0 HA PHE A 7 -9.011 -3.454 -4.648 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.770 -6.202 -4.714 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.925 -5.866 -6.212 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.499 -4.698 -2.673 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.725 -6.511 -6.092 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -6.349 -4.812 -1.492 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.579 -6.629 -4.915 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.388 -5.786 -2.613 1.00 0.61 H new ATOM 104 N VAL A 8 -9.733 -2.265 -6.734 1.00 0.28 N ATOM 105 CA VAL A 8 -9.796 -1.576 -8.018 1.00 0.34 C ATOM 106 C VAL A 8 -8.452 -1.650 -8.726 1.00 0.44 C ATOM 107 O VAL A 8 -8.372 -1.957 -9.913 1.00 0.63 O ATOM 108 CB VAL A 8 -10.187 -0.097 -7.829 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.334 0.617 -9.165 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.463 0.014 -7.010 1.00 0.33 C ATOM 0 H VAL A 8 -9.669 -1.640 -5.931 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.555 -2.070 -8.624 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.382 0.396 -7.284 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -10.610 1.657 -8.993 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.388 0.577 -9.705 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.109 0.129 -9.755 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.725 1.065 -6.886 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.272 -0.504 -7.525 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.308 -0.439 -6.031 1.00 0.33 H new ATOM 120 N MET A 9 -7.401 -1.368 -7.980 1.00 0.43 N ATOM 121 CA MET A 9 -6.052 -1.448 -8.500 1.00 0.65 C ATOM 122 C MET A 9 -5.087 -1.729 -7.372 1.00 0.44 C ATOM 123 O MET A 9 -5.121 -1.073 -6.331 1.00 0.44 O ATOM 124 CB MET A 9 -5.641 -0.171 -9.218 1.00 1.05 C ATOM 125 CG MET A 9 -4.279 -0.279 -9.883 1.00 1.45 C ATOM 126 SD MET A 9 -4.221 -1.550 -11.163 1.00 2.35 S ATOM 127 CE MET A 9 -2.481 -1.518 -11.588 1.00 2.88 C ATOM 0 H MET A 9 -7.458 -1.079 -7.003 1.00 0.43 H new ATOM 0 HA MET A 9 -6.026 -2.260 -9.227 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.390 0.073 -9.972 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.627 0.653 -8.504 1.00 1.05 H new ATOM 0 HG2 MET A 9 -4.017 0.684 -10.322 1.00 1.45 H new ATOM 0 HG3 MET A 9 -3.527 -0.499 -9.125 1.00 1.45 H new ATOM 0 HE1 MET A 9 -2.284 -2.252 -12.370 1.00 2.88 H new ATOM 0 HE2 MET A 9 -2.212 -0.524 -11.947 1.00 2.88 H new ATOM 0 HE3 MET A 9 -1.887 -1.759 -10.707 1.00 2.88 H new ATOM 137 N ARG A 10 -4.237 -2.705 -7.584 1.00 0.47 N ATOM 138 CA ARG A 10 -3.277 -3.113 -6.590 1.00 0.41 C ATOM 139 C ARG A 10 -1.882 -2.681 -7.012 1.00 0.39 C ATOM 140 O ARG A 10 -1.552 -2.704 -8.200 1.00 0.45 O ATOM 141 CB ARG A 10 -3.339 -4.629 -6.395 1.00 0.46 C ATOM 142 CG ARG A 10 -2.978 -5.439 -7.629 1.00 0.97 C ATOM 143 CD ARG A 10 -3.103 -6.931 -7.366 1.00 1.34 C ATOM 144 NE ARG A 10 -2.432 -7.726 -8.398 1.00 2.11 N ATOM 145 CZ ARG A 10 -1.911 -8.941 -8.190 1.00 2.72 C ATOM 146 NH1 ARG A 10 -2.066 -9.549 -7.017 1.00 2.74 N ATOM 147 NH2 ARG A 10 -1.250 -9.559 -9.166 1.00 3.67 N ATOM 0 H ARG A 10 -4.192 -3.239 -8.452 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.515 -2.634 -5.640 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.665 -4.906 -5.584 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -4.346 -4.901 -6.079 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -3.631 -5.157 -8.455 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -1.958 -5.206 -7.934 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -2.674 -7.165 -6.392 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -4.157 -7.205 -7.325 1.00 1.34 H new ATOM 0 HE ARG A 10 -2.357 -7.328 -9.334 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -2.585 -9.089 -6.269 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -1.666 -10.475 -6.866 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -1.140 -9.107 -10.074 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -0.853 -10.485 -9.006 1.00 3.67 H new ATOM 161 N PRO A 11 -1.046 -2.265 -6.059 1.00 0.43 N ATOM 162 CA PRO A 11 0.303 -1.844 -6.367 1.00 0.50 C ATOM 163 C PRO A 11 1.176 -3.036 -6.701 1.00 0.47 C ATOM 164 O PRO A 11 0.858 -4.173 -6.347 1.00 0.54 O ATOM 165 CB PRO A 11 0.793 -1.143 -5.104 1.00 0.62 C ATOM 166 CG PRO A 11 -0.159 -1.493 -4.017 1.00 0.64 C ATOM 167 CD PRO A 11 -1.346 -2.202 -4.622 1.00 0.53 C ATOM 0 HA PRO A 11 0.340 -1.188 -7.237 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.803 -1.465 -4.851 1.00 0.62 H new ATOM 0 HB3 PRO A 11 0.830 -0.064 -5.252 1.00 0.62 H new ATOM 0 HG2 PRO A 11 0.327 -2.132 -3.280 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -0.483 -0.593 -3.494 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -1.471 -3.199 -4.199 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.271 -1.658 -4.434 1.00 0.53 H new ATOM 175 N GLN A 12 2.250 -2.780 -7.410 1.00 0.44 N ATOM 176 CA GLN A 12 3.121 -3.830 -7.873 1.00 0.43 C ATOM 177 C GLN A 12 4.479 -3.670 -7.237 1.00 0.37 C ATOM 178 O GLN A 12 4.682 -2.747 -6.459 1.00 0.40 O ATOM 179 CB GLN A 12 3.205 -3.749 -9.383 1.00 0.55 C ATOM 180 CG GLN A 12 1.836 -3.846 -10.020 1.00 0.73 C ATOM 181 CD GLN A 12 1.246 -5.244 -9.938 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.376 -6.037 -10.866 1.00 1.43 O ATOM 183 NE2 GLN A 12 0.629 -5.574 -8.809 1.00 1.32 N ATOM 0 H GLN A 12 2.542 -1.841 -7.680 1.00 0.44 H new ATOM 0 HA GLN A 12 2.734 -4.810 -7.593 1.00 0.43 H new ATOM 0 HB2 GLN A 12 3.677 -2.810 -9.672 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.839 -4.553 -9.757 1.00 0.55 H new ATOM 0 HG2 GLN A 12 1.162 -3.143 -9.531 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.905 -3.546 -11.066 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.539 -4.890 -8.058 1.00 1.32 H new ATOM 0 HE22 GLN A 12 0.245 -6.512 -8.693 1.00 1.32 H new ATOM 192 N ASP A 13 5.398 -4.560 -7.561 1.00 0.34 N ATOM 193 CA ASP A 13 6.683 -4.574 -6.987 1.00 0.33 C ATOM 194 C ASP A 13 7.528 -3.416 -7.480 1.00 0.36 C ATOM 195 O ASP A 13 7.047 -2.332 -7.821 1.00 0.50 O ATOM 196 CB ASP A 13 7.333 -5.906 -7.363 1.00 0.35 C ATOM 197 CG ASP A 13 7.117 -6.280 -8.818 1.00 1.04 C ATOM 198 OD1 ASP A 13 6.006 -6.726 -9.163 1.00 1.03 O ATOM 199 OD2 ASP A 13 8.060 -6.126 -9.622 1.00 2.06 O ATOM 0 H ASP A 13 5.245 -5.299 -8.247 1.00 0.34 H new ATOM 0 HA ASP A 13 6.606 -4.466 -5.905 1.00 0.33 H new ATOM 0 HB2 ASP A 13 8.403 -5.852 -7.162 1.00 0.35 H new ATOM 0 HB3 ASP A 13 6.929 -6.694 -6.727 1.00 0.35 H new ATOM 204 N GLY A 14 8.791 -3.689 -7.533 1.00 0.30 N ATOM 205 CA GLY A 14 9.762 -2.692 -7.863 1.00 0.30 C ATOM 206 C GLY A 14 11.124 -3.038 -7.340 1.00 0.25 C ATOM 207 O GLY A 14 11.295 -3.450 -6.192 1.00 0.28 O ATOM 0 H GLY A 14 9.182 -4.613 -7.348 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.808 -2.576 -8.946 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.449 -1.732 -7.453 1.00 0.30 H new ATOM 211 N GLU A 15 12.077 -2.878 -8.204 1.00 0.26 N ATOM 212 CA GLU A 15 13.472 -3.048 -7.863 1.00 0.25 C ATOM 213 C GLU A 15 14.151 -1.701 -7.978 1.00 0.23 C ATOM 214 O GLU A 15 14.300 -1.156 -9.072 1.00 0.30 O ATOM 215 CB GLU A 15 14.160 -4.078 -8.768 1.00 0.33 C ATOM 216 CG GLU A 15 13.609 -5.492 -8.629 1.00 0.69 C ATOM 217 CD GLU A 15 14.512 -6.534 -9.256 1.00 1.11 C ATOM 218 OE1 GLU A 15 15.618 -6.772 -8.723 1.00 1.48 O ATOM 219 OE2 GLU A 15 14.114 -7.129 -10.279 1.00 1.53 O ATOM 0 H GLU A 15 11.916 -2.623 -9.178 1.00 0.26 H new ATOM 0 HA GLU A 15 13.548 -3.428 -6.844 1.00 0.25 H new ATOM 0 HB2 GLU A 15 14.058 -3.760 -9.806 1.00 0.33 H new ATOM 0 HB3 GLU A 15 15.226 -4.091 -8.541 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.473 -5.723 -7.572 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.625 -5.542 -9.095 1.00 0.69 H new ATOM 226 N VAL A 16 14.546 -1.157 -6.848 1.00 0.20 N ATOM 227 CA VAL A 16 15.008 0.164 -6.768 1.00 0.21 C ATOM 228 C VAL A 16 16.345 0.111 -6.101 1.00 0.22 C ATOM 229 O VAL A 16 16.703 -0.884 -5.502 1.00 0.27 O ATOM 230 CB VAL A 16 14.043 1.034 -5.946 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.603 0.758 -6.345 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.240 0.829 -4.446 1.00 0.23 C ATOM 0 H VAL A 16 14.545 -1.651 -5.955 1.00 0.20 H new ATOM 0 HA VAL A 16 15.076 0.607 -7.762 1.00 0.21 H new ATOM 0 HB VAL A 16 14.269 2.078 -6.165 1.00 0.22 H new ATOM 0 HG11 VAL A 16 11.935 1.383 -5.752 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.469 0.985 -7.403 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.371 -0.292 -6.167 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.541 1.460 -3.898 1.00 0.23 H new ATOM 0 HG22 VAL A 16 14.059 -0.216 -4.195 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.261 1.096 -4.173 1.00 0.23 H new ATOM 242 N THR A 17 17.065 1.155 -6.235 1.00 0.23 N ATOM 243 CA THR A 17 18.365 1.275 -5.609 1.00 0.27 C ATOM 244 C THR A 17 18.228 2.060 -4.315 1.00 0.28 C ATOM 245 O THR A 17 17.289 2.853 -4.159 1.00 0.28 O ATOM 246 CB THR A 17 19.353 2.001 -6.526 1.00 0.35 C ATOM 247 OG1 THR A 17 18.955 1.835 -7.894 1.00 0.77 O ATOM 248 CG2 THR A 17 20.767 1.471 -6.342 1.00 0.56 C ATOM 0 H THR A 17 16.787 1.970 -6.782 1.00 0.23 H new ATOM 0 HA THR A 17 18.744 0.272 -5.410 1.00 0.27 H new ATOM 0 HB THR A 17 19.345 3.059 -6.262 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.588 2.302 -8.478 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.445 2.006 -7.007 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.080 1.619 -5.308 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.791 0.407 -6.579 1.00 0.56 H new ATOM 256 N VAL A 18 19.142 1.835 -3.387 1.00 0.31 N ATOM 257 CA VAL A 18 19.172 2.611 -2.174 1.00 0.35 C ATOM 258 C VAL A 18 19.471 4.028 -2.530 1.00 0.36 C ATOM 259 O VAL A 18 20.580 4.397 -2.919 1.00 0.39 O ATOM 260 CB VAL A 18 20.241 2.194 -1.187 1.00 0.44 C ATOM 261 CG1 VAL A 18 19.934 2.741 0.197 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.421 0.698 -1.165 1.00 0.78 C ATOM 0 H VAL A 18 19.868 1.122 -3.456 1.00 0.31 H new ATOM 0 HA VAL A 18 18.200 2.462 -1.704 1.00 0.35 H new ATOM 0 HB VAL A 18 21.188 2.623 -1.515 1.00 0.44 H new ATOM 0 HG11 VAL A 18 20.714 2.430 0.892 1.00 0.76 H new ATOM 0 HG12 VAL A 18 19.895 3.830 0.158 1.00 0.76 H new ATOM 0 HG13 VAL A 18 18.972 2.356 0.535 1.00 0.76 H new ATOM 0 HG21 VAL A 18 21.196 0.435 -0.445 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.483 0.223 -0.878 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.714 0.352 -2.156 1.00 0.78 H new ATOM 272 N GLY A 19 18.454 4.776 -2.427 1.00 0.38 N ATOM 273 CA GLY A 19 18.534 6.195 -2.636 1.00 0.45 C ATOM 274 C GLY A 19 17.780 6.631 -3.863 1.00 0.40 C ATOM 275 O GLY A 19 17.996 7.730 -4.367 1.00 0.48 O ATOM 0 H GLY A 19 17.521 4.437 -2.193 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.135 6.712 -1.763 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.579 6.488 -2.730 1.00 0.45 H new ATOM 279 N GLY A 20 16.906 5.774 -4.376 1.00 0.32 N ATOM 280 CA GLY A 20 16.022 6.208 -5.392 1.00 0.32 C ATOM 281 C GLY A 20 14.708 6.498 -4.785 1.00 0.30 C ATOM 282 O GLY A 20 14.570 7.312 -3.874 1.00 0.44 O ATOM 0 H GLY A 20 16.808 4.798 -4.097 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.417 7.098 -5.881 1.00 0.32 H new ATOM 0 HA3 GLY A 20 15.922 5.440 -6.159 1.00 0.32 H new ATOM 286 N SER A 21 13.760 5.825 -5.293 1.00 0.24 N ATOM 287 CA SER A 21 12.458 5.828 -4.782 1.00 0.22 C ATOM 288 C SER A 21 11.784 4.527 -5.096 1.00 0.22 C ATOM 289 O SER A 21 12.287 3.702 -5.849 1.00 0.25 O ATOM 290 CB SER A 21 11.679 6.968 -5.370 1.00 0.30 C ATOM 291 OG SER A 21 11.800 7.026 -6.781 1.00 0.82 O ATOM 0 H SER A 21 13.876 5.230 -6.113 1.00 0.24 H new ATOM 0 HA SER A 21 12.501 5.952 -3.700 1.00 0.22 H new ATOM 0 HB2 SER A 21 10.628 6.865 -5.101 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.028 7.906 -4.938 1.00 0.30 H new ATOM 0 HG SER A 21 11.277 7.781 -7.123 1.00 0.82 H new ATOM 297 N ILE A 22 10.649 4.385 -4.502 1.00 0.22 N ATOM 298 CA ILE A 22 9.698 3.394 -4.830 1.00 0.24 C ATOM 299 C ILE A 22 8.336 3.988 -4.602 1.00 0.25 C ATOM 300 O ILE A 22 8.115 4.855 -3.760 1.00 0.27 O ATOM 301 CB ILE A 22 9.864 2.085 -4.054 1.00 0.25 C ATOM 302 CG1 ILE A 22 8.923 1.024 -4.600 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.648 2.255 -2.560 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.195 0.623 -6.037 1.00 0.32 C ATOM 0 H ILE A 22 10.350 4.990 -3.737 1.00 0.22 H new ATOM 0 HA ILE A 22 9.843 3.111 -5.873 1.00 0.24 H new ATOM 0 HB ILE A 22 10.897 1.766 -4.193 1.00 0.25 H new ATOM 0 HG12 ILE A 22 8.990 0.137 -3.970 1.00 0.29 H new ATOM 0 HG13 ILE A 22 7.899 1.391 -4.526 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.779 1.294 -2.062 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.372 2.969 -2.167 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.639 2.624 -2.378 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.477 -0.138 -6.344 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.098 1.496 -6.683 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.206 0.222 -6.118 1.00 0.32 H new ATOM 316 N THR A 23 7.460 3.550 -5.398 1.00 0.25 N ATOM 317 CA THR A 23 6.118 4.076 -5.417 1.00 0.23 C ATOM 318 C THR A 23 5.127 2.963 -5.578 1.00 0.24 C ATOM 319 O THR A 23 5.188 2.175 -6.523 1.00 0.28 O ATOM 320 CB THR A 23 5.890 5.104 -6.530 1.00 0.26 C ATOM 321 OG1 THR A 23 6.984 6.027 -6.570 1.00 0.31 O ATOM 322 CG2 THR A 23 4.580 5.865 -6.304 1.00 0.24 C ATOM 0 H THR A 23 7.629 2.806 -6.075 1.00 0.25 H new ATOM 0 HA THR A 23 5.977 4.584 -4.463 1.00 0.23 H new ATOM 0 HB THR A 23 5.825 4.575 -7.481 1.00 0.26 H new ATOM 0 HG1 THR A 23 6.834 6.681 -7.284 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.437 6.590 -7.105 1.00 0.24 H new ATOM 0 HG22 THR A 23 3.747 5.162 -6.298 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.622 6.386 -5.347 1.00 0.24 H new ATOM 330 N PHE A 24 4.230 2.912 -4.642 1.00 0.24 N ATOM 331 CA PHE A 24 3.138 1.983 -4.672 1.00 0.27 C ATOM 332 C PHE A 24 1.856 2.776 -4.588 1.00 0.24 C ATOM 333 O PHE A 24 1.798 3.819 -3.946 1.00 0.30 O ATOM 334 CB PHE A 24 3.219 1.012 -3.502 1.00 0.40 C ATOM 335 CG PHE A 24 4.520 0.262 -3.386 1.00 0.33 C ATOM 336 CD1 PHE A 24 4.771 -0.855 -4.168 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.499 0.687 -2.507 1.00 0.43 C ATOM 338 CE1 PHE A 24 5.972 -1.528 -4.075 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.704 0.014 -2.407 1.00 0.51 C ATOM 340 CZ PHE A 24 6.903 -1.150 -3.154 1.00 0.49 C ATOM 0 H PHE A 24 4.234 3.522 -3.824 1.00 0.24 H new ATOM 0 HA PHE A 24 3.176 1.400 -5.592 1.00 0.27 H new ATOM 0 HB2 PHE A 24 3.052 1.565 -2.578 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.407 0.290 -3.592 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.017 -1.203 -4.859 1.00 0.46 H new ATOM 0 HD2 PHE A 24 5.321 1.556 -1.890 1.00 0.43 H new ATOM 0 HE1 PHE A 24 6.175 -2.358 -4.735 1.00 0.53 H new ATOM 0 HE2 PHE A 24 7.483 0.385 -1.758 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.790 -1.747 -3.002 1.00 0.49 H new ATOM 350 N SER A 25 0.854 2.296 -5.251 1.00 0.28 N ATOM 351 CA SER A 25 -0.427 2.939 -5.273 1.00 0.28 C ATOM 352 C SER A 25 -1.515 1.897 -5.151 1.00 0.27 C ATOM 353 O SER A 25 -1.583 0.939 -5.920 1.00 0.31 O ATOM 354 CB SER A 25 -0.617 3.719 -6.553 1.00 0.35 C ATOM 355 OG SER A 25 0.598 4.317 -6.976 1.00 0.58 O ATOM 0 H SER A 25 0.899 1.437 -5.800 1.00 0.28 H new ATOM 0 HA SER A 25 -0.481 3.633 -4.434 1.00 0.28 H new ATOM 0 HB2 SER A 25 -0.990 3.056 -7.334 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.372 4.491 -6.403 1.00 0.35 H new ATOM 0 HG SER A 25 0.446 4.814 -7.807 1.00 0.58 H new ATOM 361 N ALA A 26 -2.341 2.101 -4.174 1.00 0.26 N ATOM 362 CA ALA A 26 -3.420 1.186 -3.847 1.00 0.26 C ATOM 363 C ALA A 26 -4.772 1.867 -4.033 1.00 0.22 C ATOM 364 O ALA A 26 -5.083 2.838 -3.347 1.00 0.25 O ATOM 365 CB ALA A 26 -3.256 0.696 -2.416 1.00 0.32 C ATOM 0 H ALA A 26 -2.295 2.917 -3.564 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.380 0.330 -4.520 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -4.066 0.009 -2.171 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -2.301 0.181 -2.315 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -3.283 1.547 -1.735 1.00 0.32 H new ATOM 371 N ARG A 27 -5.564 1.370 -4.973 1.00 0.22 N ATOM 372 CA ARG A 27 -6.857 1.971 -5.271 1.00 0.25 C ATOM 373 C ARG A 27 -7.984 1.103 -4.738 1.00 0.23 C ATOM 374 O ARG A 27 -8.174 -0.026 -5.196 1.00 0.31 O ATOM 375 CB ARG A 27 -7.034 2.154 -6.775 1.00 0.36 C ATOM 376 CG ARG A 27 -5.990 3.049 -7.410 1.00 0.28 C ATOM 377 CD ARG A 27 -6.223 3.186 -8.903 1.00 0.46 C ATOM 378 NE ARG A 27 -7.318 4.103 -9.221 1.00 1.22 N ATOM 379 CZ ARG A 27 -7.779 4.310 -10.455 1.00 1.55 C ATOM 380 NH1 ARG A 27 -7.284 3.620 -11.475 1.00 1.46 N ATOM 381 NH2 ARG A 27 -8.731 5.212 -10.676 1.00 2.43 N ATOM 0 H ARG A 27 -5.335 0.554 -5.541 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.891 2.946 -4.785 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.002 1.177 -7.257 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.022 2.572 -6.967 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.018 4.033 -6.943 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -4.996 2.638 -7.230 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -5.308 3.540 -9.379 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -6.442 2.205 -9.324 1.00 0.46 H new ATOM 0 HE ARG A 27 -7.754 4.614 -8.454 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -6.550 2.930 -11.316 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -7.638 3.780 -12.418 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -9.113 5.751 -9.899 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -9.079 5.365 -11.623 1.00 2.43 H new ATOM 395 N VAL A 28 -8.733 1.626 -3.783 1.00 0.19 N ATOM 396 CA VAL A 28 -9.818 0.893 -3.196 1.00 0.20 C ATOM 397 C VAL A 28 -11.123 1.608 -3.425 1.00 0.23 C ATOM 398 O VAL A 28 -11.269 2.802 -3.155 1.00 0.24 O ATOM 399 CB VAL A 28 -9.642 0.684 -1.693 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.718 -0.255 -1.155 1.00 0.26 C ATOM 401 CG2 VAL A 28 -8.247 0.164 -1.402 1.00 0.23 C ATOM 0 H VAL A 28 -8.600 2.563 -3.402 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.823 -0.083 -3.682 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.758 1.640 -1.182 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.578 -0.393 -0.083 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.702 0.176 -1.340 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.644 -1.219 -1.658 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -8.130 0.018 -0.328 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -8.098 -0.786 -1.916 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.509 0.886 -1.752 1.00 0.23 H new ATOM 411 N ALA A 29 -12.029 0.860 -3.965 1.00 0.29 N ATOM 412 CA ALA A 29 -13.394 1.278 -4.153 1.00 0.32 C ATOM 413 C ALA A 29 -14.040 1.609 -2.826 1.00 0.34 C ATOM 414 O ALA A 29 -14.225 0.738 -1.976 1.00 0.40 O ATOM 415 CB ALA A 29 -14.183 0.190 -4.857 1.00 0.38 C ATOM 0 H ALA A 29 -11.843 -0.086 -4.299 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.395 2.175 -4.772 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.213 0.518 -4.993 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.735 -0.013 -5.830 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.168 -0.718 -4.254 1.00 0.38 H new ATOM 421 N GLY A 30 -14.323 2.884 -2.652 1.00 0.35 N ATOM 422 CA GLY A 30 -15.099 3.340 -1.514 1.00 0.42 C ATOM 423 C GLY A 30 -16.309 2.462 -1.288 1.00 0.50 C ATOM 424 O GLY A 30 -16.527 1.968 -0.189 1.00 0.76 O ATOM 0 H GLY A 30 -14.027 3.626 -3.286 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.474 3.339 -0.621 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -15.419 4.369 -1.678 1.00 0.42 H new ATOM 428 N ALA A 31 -17.069 2.268 -2.357 1.00 0.49 N ATOM 429 CA ALA A 31 -18.194 1.338 -2.399 1.00 0.55 C ATOM 430 C ALA A 31 -19.237 1.594 -1.305 1.00 0.64 C ATOM 431 O ALA A 31 -19.388 2.716 -0.822 1.00 0.71 O ATOM 432 CB ALA A 31 -17.678 -0.083 -2.322 1.00 0.58 C ATOM 0 H ALA A 31 -16.920 2.761 -3.237 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.709 1.499 -3.346 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -18.518 -0.777 -2.353 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -17.016 -0.276 -3.166 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.128 -0.220 -1.391 1.00 0.58 H new ATOM 438 N SER A 32 -19.985 0.551 -0.962 1.00 0.85 N ATOM 439 CA SER A 32 -21.011 0.635 0.066 1.00 0.96 C ATOM 440 C SER A 32 -20.644 -0.265 1.243 1.00 1.01 C ATOM 441 O SER A 32 -20.198 -1.402 1.050 1.00 1.69 O ATOM 442 CB SER A 32 -22.369 0.238 -0.522 1.00 1.19 C ATOM 443 OG SER A 32 -22.281 -0.986 -1.231 1.00 1.74 O ATOM 0 H SER A 32 -19.896 -0.372 -1.388 1.00 0.85 H new ATOM 0 HA SER A 32 -21.078 1.661 0.427 1.00 0.96 H new ATOM 0 HB2 SER A 32 -23.102 0.146 0.279 1.00 1.19 H new ATOM 0 HB3 SER A 32 -22.723 1.024 -1.189 1.00 1.19 H new ATOM 0 HG SER A 32 -23.161 -1.217 -1.595 1.00 1.74 H new ATOM 449 N LEU A 33 -20.810 0.246 2.457 1.00 0.96 N ATOM 450 CA LEU A 33 -20.404 -0.468 3.649 1.00 0.93 C ATOM 451 C LEU A 33 -21.179 -0.044 4.880 1.00 0.90 C ATOM 452 O LEU A 33 -22.125 0.739 4.813 1.00 0.98 O ATOM 453 CB LEU A 33 -18.901 -0.293 3.937 1.00 0.99 C ATOM 454 CG LEU A 33 -18.247 1.099 3.762 1.00 1.26 C ATOM 455 CD1 LEU A 33 -17.911 1.360 2.310 1.00 2.16 C ATOM 456 CD2 LEU A 33 -19.101 2.231 4.325 1.00 1.95 C ATOM 0 H LEU A 33 -21.227 1.160 2.636 1.00 0.96 H new ATOM 0 HA LEU A 33 -20.621 -1.516 3.441 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.727 -0.608 4.966 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.362 -0.990 3.295 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.324 1.081 4.342 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -17.453 2.344 2.214 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -17.215 0.600 1.955 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -18.823 1.324 1.714 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -18.591 3.182 4.173 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -20.063 2.250 3.813 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -19.260 2.071 5.391 1.00 1.95 H new ATOM 468 N LEU A 34 -20.756 -0.596 6.006 1.00 0.87 N ATOM 469 CA LEU A 34 -21.187 -0.118 7.299 1.00 0.89 C ATOM 470 C LEU A 34 -20.111 0.807 7.844 1.00 0.84 C ATOM 471 O LEU A 34 -20.389 1.894 8.350 1.00 0.95 O ATOM 472 CB LEU A 34 -21.418 -1.276 8.261 1.00 1.01 C ATOM 473 CG LEU A 34 -21.969 -0.844 9.609 1.00 1.22 C ATOM 474 CD1 LEU A 34 -23.451 -0.509 9.507 1.00 1.45 C ATOM 475 CD2 LEU A 34 -21.720 -1.913 10.666 1.00 1.47 C ATOM 0 H LEU A 34 -20.108 -1.383 6.044 1.00 0.87 H new ATOM 0 HA LEU A 34 -22.132 0.416 7.194 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -22.110 -1.984 7.805 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -20.477 -1.804 8.414 1.00 1.01 H new ATOM 0 HG LEU A 34 -21.442 0.059 9.916 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -23.823 -0.202 10.485 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -23.592 0.303 8.794 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -24.000 -1.388 9.169 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -22.124 -1.580 11.622 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -22.210 -2.840 10.368 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -20.648 -2.084 10.765 1.00 1.47 H new ATOM 487 N LYS A 35 -18.877 0.354 7.717 1.00 0.76 N ATOM 488 CA LYS A 35 -17.712 1.156 8.032 1.00 0.76 C ATOM 489 C LYS A 35 -16.840 1.267 6.795 1.00 0.65 C ATOM 490 O LYS A 35 -16.678 0.287 6.061 1.00 0.75 O ATOM 491 CB LYS A 35 -16.937 0.559 9.221 1.00 0.90 C ATOM 492 CG LYS A 35 -17.018 -0.965 9.336 1.00 0.92 C ATOM 493 CD LYS A 35 -16.227 -1.678 8.244 1.00 0.90 C ATOM 494 CE LYS A 35 -14.988 -2.368 8.796 1.00 1.00 C ATOM 495 NZ LYS A 35 -15.332 -3.493 9.707 1.00 1.40 N ATOM 0 H LYS A 35 -18.655 -0.586 7.390 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.027 2.155 8.332 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -15.889 0.848 9.137 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -17.316 1.000 10.143 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -16.642 -1.273 10.312 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -18.062 -1.275 9.285 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -16.865 -2.415 7.756 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -15.931 -0.958 7.481 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -14.384 -2.743 7.970 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.378 -1.641 9.333 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -14.523 -4.143 9.777 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -15.558 -3.119 10.651 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -16.156 -4.005 9.331 1.00 1.40 H new ATOM 509 N PRO A 36 -16.286 2.464 6.542 1.00 0.65 N ATOM 510 CA PRO A 36 -15.537 2.754 5.312 1.00 0.56 C ATOM 511 C PRO A 36 -14.376 1.789 5.138 1.00 0.45 C ATOM 512 O PRO A 36 -13.916 1.203 6.122 1.00 0.47 O ATOM 513 CB PRO A 36 -15.037 4.190 5.517 1.00 0.61 C ATOM 514 CG PRO A 36 -15.169 4.459 6.979 1.00 0.88 C ATOM 515 CD PRO A 36 -16.304 3.608 7.464 1.00 0.88 C ATOM 0 HA PRO A 36 -16.145 2.645 4.414 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -14.002 4.294 5.192 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -15.627 4.897 4.934 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -14.246 4.212 7.504 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -15.368 5.515 7.163 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -16.158 3.294 8.498 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -17.253 4.142 7.424 1.00 0.88 H new ATOM 523 N PRO A 37 -13.890 1.582 3.901 1.00 0.40 N ATOM 524 CA PRO A 37 -12.830 0.616 3.677 1.00 0.35 C ATOM 525 C PRO A 37 -11.598 0.902 4.499 1.00 0.32 C ATOM 526 O PRO A 37 -11.015 1.988 4.449 1.00 0.36 O ATOM 527 CB PRO A 37 -12.480 0.711 2.213 1.00 0.40 C ATOM 528 CG PRO A 37 -13.258 1.865 1.646 1.00 0.53 C ATOM 529 CD PRO A 37 -14.306 2.268 2.656 1.00 0.47 C ATOM 0 HA PRO A 37 -13.174 -0.376 3.970 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.409 0.867 2.082 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.732 -0.215 1.696 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -12.594 2.703 1.432 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -13.727 1.581 0.704 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -14.337 3.350 2.788 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -15.302 1.956 2.343 1.00 0.47 H new ATOM 537 N VAL A 38 -11.204 -0.097 5.239 1.00 0.29 N ATOM 538 CA VAL A 38 -10.030 -0.009 6.052 1.00 0.27 C ATOM 539 C VAL A 38 -8.944 -0.738 5.333 1.00 0.22 C ATOM 540 O VAL A 38 -8.907 -1.962 5.282 1.00 0.20 O ATOM 541 CB VAL A 38 -10.174 -0.636 7.437 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.148 -0.057 8.402 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.589 -0.496 7.971 1.00 0.77 C ATOM 0 H VAL A 38 -11.689 -0.993 5.293 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.824 1.050 6.210 1.00 0.27 H new ATOM 0 HB VAL A 38 -9.976 -1.704 7.342 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.269 -0.518 9.382 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.144 -0.257 8.029 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.295 1.020 8.487 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.652 -0.954 8.958 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -11.848 0.560 8.044 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.284 -0.994 7.295 1.00 0.77 H new ATOM 553 N VAL A 39 -8.095 0.024 4.779 1.00 0.22 N ATOM 554 CA VAL A 39 -6.961 -0.483 4.083 1.00 0.21 C ATOM 555 C VAL A 39 -5.758 -0.325 4.961 1.00 0.20 C ATOM 556 O VAL A 39 -5.325 0.779 5.285 1.00 0.23 O ATOM 557 CB VAL A 39 -6.682 0.261 2.777 1.00 0.24 C ATOM 558 CG1 VAL A 39 -5.824 -0.587 1.849 1.00 0.28 C ATOM 559 CG2 VAL A 39 -7.974 0.699 2.109 1.00 0.24 C ATOM 0 H VAL A 39 -8.158 1.042 4.789 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.169 -1.525 3.840 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.120 1.165 3.011 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.637 -0.040 0.925 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -4.875 -0.813 2.336 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.345 -1.517 1.621 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -7.744 1.225 1.183 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.584 -0.177 1.887 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.522 1.363 2.777 1.00 0.24 H new ATOM 569 N LYS A 40 -5.244 -1.435 5.335 1.00 0.19 N ATOM 570 CA LYS A 40 -4.052 -1.493 6.095 1.00 0.20 C ATOM 571 C LYS A 40 -2.921 -1.925 5.228 1.00 0.19 C ATOM 572 O LYS A 40 -2.983 -2.899 4.476 1.00 0.21 O ATOM 573 CB LYS A 40 -4.186 -2.408 7.295 1.00 0.26 C ATOM 574 CG LYS A 40 -4.552 -3.840 6.952 1.00 0.31 C ATOM 575 CD LYS A 40 -3.322 -4.756 6.914 1.00 0.37 C ATOM 576 CE LYS A 40 -3.158 -5.543 8.212 1.00 0.86 C ATOM 577 NZ LYS A 40 -3.038 -4.660 9.407 1.00 1.54 N ATOM 0 H LYS A 40 -5.646 -2.347 5.118 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.851 -0.493 6.479 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -3.244 -2.408 7.844 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.945 -2.002 7.964 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -5.263 -4.218 7.687 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -5.052 -3.864 5.984 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.411 -5.449 6.078 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.429 -4.157 6.737 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -4.013 -6.207 8.340 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -2.272 -6.174 8.141 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -2.895 -5.243 10.256 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -2.227 -4.020 9.286 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -3.908 -4.100 9.514 1.00 1.54 H new ATOM 591 N TRP A 41 -1.930 -1.128 5.305 1.00 0.18 N ATOM 592 CA TRP A 41 -0.692 -1.372 4.630 1.00 0.19 C ATOM 593 C TRP A 41 0.276 -2.128 5.500 1.00 0.21 C ATOM 594 O TRP A 41 0.227 -2.085 6.731 1.00 0.28 O ATOM 595 CB TRP A 41 -0.067 -0.061 4.225 1.00 0.21 C ATOM 596 CG TRP A 41 -0.802 0.630 3.140 1.00 0.21 C ATOM 597 CD1 TRP A 41 -1.910 1.411 3.272 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.495 0.585 1.750 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.270 1.905 2.043 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.427 1.397 1.095 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.488 -0.053 0.993 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.404 1.588 -0.276 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.502 0.135 -0.375 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.443 0.953 -0.994 1.00 0.33 C ATOM 0 H TRP A 41 -1.943 -0.264 5.848 1.00 0.18 H new ATOM 0 HA TRP A 41 -0.909 -1.978 3.750 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.018 0.594 5.095 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.959 -0.240 3.902 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.425 1.611 4.200 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.042 2.548 1.866 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.225 -0.683 1.469 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.130 2.224 -0.760 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.254 -0.358 -0.973 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.409 1.084 -2.066 1.00 0.33 H new ATOM 615 N PHE A 42 1.155 -2.804 4.820 1.00 0.21 N ATOM 616 CA PHE A 42 2.289 -3.446 5.414 1.00 0.23 C ATOM 617 C PHE A 42 3.442 -3.058 4.529 1.00 0.26 C ATOM 618 O PHE A 42 3.280 -2.959 3.321 1.00 0.34 O ATOM 619 CB PHE A 42 2.112 -4.971 5.465 1.00 0.26 C ATOM 620 CG PHE A 42 3.093 -5.690 6.355 1.00 0.30 C ATOM 621 CD1 PHE A 42 2.853 -5.812 7.716 1.00 0.49 C ATOM 622 CD2 PHE A 42 4.250 -6.251 5.833 1.00 0.37 C ATOM 623 CE1 PHE A 42 3.746 -6.478 8.536 1.00 0.62 C ATOM 624 CE2 PHE A 42 5.148 -6.918 6.651 1.00 0.50 C ATOM 625 CZ PHE A 42 4.895 -7.030 8.002 1.00 0.60 C ATOM 0 H PHE A 42 1.101 -2.927 3.809 1.00 0.21 H new ATOM 0 HA PHE A 42 2.439 -3.140 6.449 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.101 -5.194 5.806 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.202 -5.367 4.454 1.00 0.26 H new ATOM 0 HD1 PHE A 42 1.958 -5.382 8.140 1.00 0.49 H new ATOM 0 HD2 PHE A 42 4.453 -6.167 4.776 1.00 0.37 H new ATOM 0 HE1 PHE A 42 3.545 -6.567 9.593 1.00 0.62 H new ATOM 0 HE2 PHE A 42 6.045 -7.349 6.231 1.00 0.50 H new ATOM 0 HZ PHE A 42 5.594 -7.548 8.642 1.00 0.60 H new ATOM 635 N LYS A 43 4.560 -2.772 5.112 1.00 0.28 N ATOM 636 CA LYS A 43 5.687 -2.272 4.373 1.00 0.31 C ATOM 637 C LYS A 43 6.635 -3.455 4.215 1.00 0.39 C ATOM 638 O LYS A 43 6.426 -4.405 4.924 1.00 0.81 O ATOM 639 CB LYS A 43 6.311 -1.090 5.135 1.00 0.40 C ATOM 640 CG LYS A 43 7.577 -0.526 4.532 1.00 0.54 C ATOM 641 CD LYS A 43 7.977 0.759 5.229 1.00 0.67 C ATOM 642 CE LYS A 43 9.290 1.289 4.698 1.00 1.29 C ATOM 643 NZ LYS A 43 9.223 1.590 3.246 1.00 2.17 N ATOM 0 H LYS A 43 4.724 -2.876 6.113 1.00 0.28 H new ATOM 0 HA LYS A 43 5.422 -1.885 3.389 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.572 -0.291 5.200 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.525 -1.410 6.155 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.382 -1.256 4.615 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.427 -0.337 3.469 1.00 0.54 H new ATOM 0 HD2 LYS A 43 7.198 1.508 5.090 1.00 0.67 H new ATOM 0 HD3 LYS A 43 8.061 0.582 6.301 1.00 0.67 H new ATOM 0 HE2 LYS A 43 9.563 2.193 5.243 1.00 1.29 H new ATOM 0 HE3 LYS A 43 10.077 0.557 4.880 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 10.094 2.075 2.951 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 9.123 0.703 2.712 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 8.405 2.203 3.056 1.00 2.17 H new ATOM 657 N GLY A 44 7.648 -3.344 3.326 1.00 0.64 N ATOM 658 CA GLY A 44 8.696 -4.370 3.021 1.00 0.92 C ATOM 659 C GLY A 44 8.878 -5.571 3.977 1.00 0.39 C ATOM 660 O GLY A 44 7.977 -6.011 4.604 1.00 1.23 O ATOM 0 H GLY A 44 7.771 -2.498 2.769 1.00 0.64 H new ATOM 0 HA2 GLY A 44 8.485 -4.770 2.029 1.00 0.92 H new ATOM 0 HA3 GLY A 44 9.653 -3.852 2.959 1.00 0.92 H new ATOM 664 N LYS A 45 9.965 -6.300 3.817 1.00 0.85 N ATOM 665 CA LYS A 45 10.125 -7.649 4.412 1.00 1.06 C ATOM 666 C LYS A 45 9.681 -7.819 5.891 1.00 0.74 C ATOM 667 O LYS A 45 9.654 -8.947 6.384 1.00 0.82 O ATOM 668 CB LYS A 45 11.600 -8.017 4.348 1.00 1.67 C ATOM 669 CG LYS A 45 11.901 -9.172 3.421 1.00 2.44 C ATOM 670 CD LYS A 45 13.371 -9.541 3.484 1.00 2.82 C ATOM 671 CE LYS A 45 13.772 -9.998 4.880 1.00 2.98 C ATOM 672 NZ LYS A 45 15.239 -10.218 4.997 1.00 3.87 N ATOM 0 H LYS A 45 10.772 -5.991 3.275 1.00 0.85 H new ATOM 0 HA LYS A 45 9.464 -8.290 3.828 1.00 1.06 H new ATOM 0 HB2 LYS A 45 12.169 -7.145 4.024 1.00 1.67 H new ATOM 0 HB3 LYS A 45 11.946 -8.268 5.351 1.00 1.67 H new ATOM 0 HG2 LYS A 45 11.293 -10.034 3.696 1.00 2.44 H new ATOM 0 HG3 LYS A 45 11.632 -8.905 2.399 1.00 2.44 H new ATOM 0 HD2 LYS A 45 13.579 -10.335 2.766 1.00 2.82 H new ATOM 0 HD3 LYS A 45 13.976 -8.682 3.193 1.00 2.82 H new ATOM 0 HE2 LYS A 45 13.459 -9.251 5.609 1.00 2.98 H new ATOM 0 HE3 LYS A 45 13.247 -10.922 5.124 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 15.468 -10.528 5.963 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 15.536 -10.949 4.319 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 15.741 -9.331 4.790 1.00 3.87 H new ATOM 686 N TRP A 46 9.343 -6.745 6.600 1.00 0.58 N ATOM 687 CA TRP A 46 8.985 -6.856 8.009 1.00 0.57 C ATOM 688 C TRP A 46 8.197 -5.664 8.548 1.00 0.63 C ATOM 689 O TRP A 46 7.696 -5.700 9.672 1.00 0.74 O ATOM 690 CB TRP A 46 10.254 -6.954 8.816 1.00 0.76 C ATOM 691 CG TRP A 46 11.320 -6.008 8.355 1.00 0.97 C ATOM 692 CD1 TRP A 46 12.156 -6.178 7.294 1.00 1.19 C ATOM 693 CD2 TRP A 46 11.662 -4.752 8.942 1.00 1.27 C ATOM 694 NE1 TRP A 46 12.983 -5.096 7.163 1.00 1.38 N ATOM 695 CE2 TRP A 46 12.710 -4.207 8.172 1.00 1.42 C ATOM 696 CE3 TRP A 46 11.184 -4.033 10.039 1.00 1.66 C ATOM 697 CZ2 TRP A 46 13.279 -2.972 8.464 1.00 1.78 C ATOM 698 CZ3 TRP A 46 11.754 -2.812 10.331 1.00 2.10 C ATOM 699 CH2 TRP A 46 12.791 -2.291 9.548 1.00 2.11 C ATOM 0 H TRP A 46 9.310 -5.797 6.225 1.00 0.58 H new ATOM 0 HA TRP A 46 8.349 -7.737 8.096 1.00 0.57 H new ATOM 0 HB2 TRP A 46 10.028 -6.754 9.863 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.634 -7.974 8.761 1.00 0.76 H new ATOM 0 HD1 TRP A 46 12.165 -7.043 6.648 1.00 1.19 H new ATOM 0 HE1 TRP A 46 13.687 -4.971 6.435 1.00 1.38 H new ATOM 0 HE3 TRP A 46 10.383 -4.426 10.647 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 14.076 -2.565 7.859 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 11.394 -2.248 11.179 1.00 2.10 H new ATOM 0 HH2 TRP A 46 13.215 -1.331 9.804 1.00 2.11 H new ATOM 710 N VAL A 47 8.102 -4.622 7.761 1.00 0.63 N ATOM 711 CA VAL A 47 7.770 -3.340 8.230 1.00 0.74 C ATOM 712 C VAL A 47 6.293 -3.055 8.132 1.00 0.59 C ATOM 713 O VAL A 47 5.523 -3.731 7.464 1.00 0.57 O ATOM 714 CB VAL A 47 8.543 -2.259 7.451 1.00 0.90 C ATOM 715 CG1 VAL A 47 9.267 -1.361 8.418 1.00 1.20 C ATOM 716 CG2 VAL A 47 9.534 -2.866 6.461 1.00 1.29 C ATOM 0 H VAL A 47 8.261 -4.664 6.754 1.00 0.63 H new ATOM 0 HA VAL A 47 8.051 -3.315 9.283 1.00 0.74 H new ATOM 0 HB VAL A 47 7.820 -1.680 6.876 1.00 0.90 H new ATOM 0 HG11 VAL A 47 9.813 -0.597 7.865 1.00 1.20 H new ATOM 0 HG12 VAL A 47 8.546 -0.883 9.081 1.00 1.20 H new ATOM 0 HG13 VAL A 47 9.967 -1.952 9.009 1.00 1.20 H new ATOM 0 HG21 VAL A 47 10.057 -2.068 5.934 1.00 1.29 H new ATOM 0 HG22 VAL A 47 10.257 -3.479 6.999 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.997 -3.485 5.742 1.00 1.29 H new ATOM 726 N ASP A 48 5.958 -2.039 8.831 1.00 0.60 N ATOM 727 CA ASP A 48 4.690 -1.417 8.840 1.00 0.56 C ATOM 728 C ASP A 48 4.870 -0.071 8.196 1.00 0.58 C ATOM 729 O ASP A 48 5.995 0.391 8.065 1.00 0.96 O ATOM 730 CB ASP A 48 4.224 -1.228 10.270 1.00 0.73 C ATOM 731 CG ASP A 48 5.170 -0.380 11.091 1.00 1.88 C ATOM 732 OD1 ASP A 48 6.310 -0.827 11.360 1.00 2.73 O ATOM 733 OD2 ASP A 48 4.778 0.744 11.460 1.00 2.22 O ATOM 0 H ASP A 48 6.617 -1.584 9.463 1.00 0.60 H new ATOM 0 HA ASP A 48 3.952 -2.020 8.311 1.00 0.56 H new ATOM 0 HB2 ASP A 48 3.238 -0.764 10.267 1.00 0.73 H new ATOM 0 HB3 ASP A 48 4.115 -2.204 10.743 1.00 0.73 H new ATOM 738 N LEU A 49 3.816 0.503 7.707 1.00 0.39 N ATOM 739 CA LEU A 49 3.854 1.897 7.314 1.00 0.35 C ATOM 740 C LEU A 49 3.273 2.792 8.374 1.00 0.41 C ATOM 741 O LEU A 49 3.732 3.907 8.539 1.00 0.44 O ATOM 742 CB LEU A 49 3.106 2.157 6.018 1.00 0.29 C ATOM 743 CG LEU A 49 3.677 1.523 4.758 1.00 0.25 C ATOM 744 CD1 LEU A 49 3.178 0.118 4.548 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.295 2.345 3.569 1.00 0.28 C ATOM 0 H LEU A 49 2.918 0.040 7.567 1.00 0.39 H new ATOM 0 HA LEU A 49 4.910 2.126 7.171 1.00 0.35 H new ATOM 0 HB2 LEU A 49 2.081 1.806 6.141 1.00 0.29 H new ATOM 0 HB3 LEU A 49 3.057 3.235 5.864 1.00 0.29 H new ATOM 0 HG LEU A 49 4.760 1.486 4.878 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.614 -0.291 3.636 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.466 -0.501 5.397 1.00 0.36 H new ATOM 0 HD13 LEU A 49 2.092 0.127 4.458 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.704 1.891 2.666 1.00 0.28 H new ATOM 0 HD22 LEU A 49 2.209 2.391 3.492 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.694 3.353 3.681 1.00 0.28 H new ATOM 757 N SER A 50 2.346 2.263 9.143 1.00 0.48 N ATOM 758 CA SER A 50 1.459 3.061 9.960 1.00 0.58 C ATOM 759 C SER A 50 2.262 3.923 10.894 1.00 0.62 C ATOM 760 O SER A 50 1.776 4.938 11.388 1.00 0.70 O ATOM 761 CB SER A 50 0.505 2.158 10.748 1.00 0.73 C ATOM 762 OG SER A 50 -0.450 2.914 11.478 1.00 1.23 O ATOM 0 H SER A 50 2.186 1.259 9.219 1.00 0.48 H new ATOM 0 HA SER A 50 0.864 3.705 9.313 1.00 0.58 H new ATOM 0 HB2 SER A 50 -0.010 1.486 10.062 1.00 0.73 H new ATOM 0 HB3 SER A 50 1.078 1.535 11.435 1.00 0.73 H new ATOM 0 HG SER A 50 -1.043 2.307 11.968 1.00 1.23 H new ATOM 768 N SER A 51 3.495 3.521 11.134 1.00 0.64 N ATOM 769 CA SER A 51 4.307 4.253 12.024 1.00 0.75 C ATOM 770 C SER A 51 5.279 5.167 11.296 1.00 0.72 C ATOM 771 O SER A 51 5.576 6.282 11.728 1.00 0.85 O ATOM 772 CB SER A 51 5.062 3.303 12.924 1.00 0.90 C ATOM 773 OG SER A 51 4.178 2.441 13.619 1.00 1.34 O ATOM 0 H SER A 51 3.933 2.698 10.720 1.00 0.64 H new ATOM 0 HA SER A 51 3.653 4.888 12.622 1.00 0.75 H new ATOM 0 HB2 SER A 51 5.758 2.711 12.330 1.00 0.90 H new ATOM 0 HB3 SER A 51 5.657 3.871 13.639 1.00 0.90 H new ATOM 0 HG SER A 51 4.089 1.598 13.127 1.00 1.34 H new ATOM 779 N LYS A 52 5.740 4.674 10.173 1.00 0.62 N ATOM 780 CA LYS A 52 6.885 5.224 9.482 1.00 0.66 C ATOM 781 C LYS A 52 6.482 6.319 8.513 1.00 0.67 C ATOM 782 O LYS A 52 7.272 7.207 8.206 1.00 1.09 O ATOM 783 CB LYS A 52 7.618 4.121 8.717 1.00 0.65 C ATOM 784 CG LYS A 52 7.172 2.687 8.990 1.00 0.70 C ATOM 785 CD LYS A 52 7.205 2.264 10.457 1.00 0.78 C ATOM 786 CE LYS A 52 8.532 1.656 10.872 1.00 1.02 C ATOM 787 NZ LYS A 52 8.408 0.921 12.161 1.00 1.40 N ATOM 0 H LYS A 52 5.326 3.868 9.705 1.00 0.62 H new ATOM 0 HA LYS A 52 7.544 5.656 10.235 1.00 0.66 H new ATOM 0 HB2 LYS A 52 7.507 4.315 7.650 1.00 0.65 H new ATOM 0 HB3 LYS A 52 8.681 4.196 8.946 1.00 0.65 H new ATOM 0 HG2 LYS A 52 6.156 2.562 8.615 1.00 0.70 H new ATOM 0 HG3 LYS A 52 7.808 2.011 8.419 1.00 0.70 H new ATOM 0 HD2 LYS A 52 6.998 3.131 11.084 1.00 0.78 H new ATOM 0 HD3 LYS A 52 6.409 1.542 10.639 1.00 0.78 H new ATOM 0 HE2 LYS A 52 8.882 0.976 10.095 1.00 1.02 H new ATOM 0 HE3 LYS A 52 9.281 2.442 10.969 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 9.312 0.459 12.386 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 8.162 1.589 12.919 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 7.663 0.200 12.079 1.00 1.40 H new ATOM 801 N VAL A 53 5.285 6.159 7.982 1.00 0.34 N ATOM 802 CA VAL A 53 4.598 7.128 7.161 1.00 0.32 C ATOM 803 C VAL A 53 4.880 8.549 7.613 1.00 0.33 C ATOM 804 O VAL A 53 4.266 9.090 8.535 1.00 0.37 O ATOM 805 CB VAL A 53 3.088 6.821 7.169 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.265 7.891 6.480 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.843 5.504 6.490 1.00 0.35 C ATOM 0 H VAL A 53 4.742 5.307 8.120 1.00 0.34 H new ATOM 0 HA VAL A 53 4.971 7.051 6.140 1.00 0.32 H new ATOM 0 HB VAL A 53 2.775 6.789 8.213 1.00 0.32 H new ATOM 0 HG11 VAL A 53 1.210 7.619 6.518 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.412 8.845 6.986 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.580 7.979 5.440 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.775 5.285 6.495 1.00 0.35 H new ATOM 0 HG22 VAL A 53 3.199 5.554 5.461 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.377 4.716 7.021 1.00 0.35 H new ATOM 817 N GLY A 54 5.870 9.093 6.961 1.00 0.35 N ATOM 818 CA GLY A 54 6.298 10.455 7.219 1.00 0.41 C ATOM 819 C GLY A 54 7.092 11.076 6.080 1.00 0.44 C ATOM 820 O GLY A 54 6.512 11.599 5.135 1.00 0.70 O ATOM 0 H GLY A 54 6.406 8.614 6.237 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.420 11.071 7.415 1.00 0.41 H new ATOM 0 HA3 GLY A 54 6.906 10.470 8.123 1.00 0.41 H new ATOM 824 N GLN A 55 8.419 11.022 6.167 1.00 0.36 N ATOM 825 CA GLN A 55 9.287 11.725 5.217 1.00 0.43 C ATOM 826 C GLN A 55 9.753 10.835 4.064 1.00 0.39 C ATOM 827 O GLN A 55 9.738 11.256 2.913 1.00 0.50 O ATOM 828 CB GLN A 55 10.504 12.299 5.941 1.00 0.61 C ATOM 829 CG GLN A 55 10.183 13.485 6.833 1.00 1.43 C ATOM 830 CD GLN A 55 11.411 14.039 7.529 1.00 2.08 C ATOM 831 OE1 GLN A 55 12.531 13.947 7.017 1.00 2.75 O ATOM 832 NE2 GLN A 55 11.211 14.632 8.694 1.00 2.69 N ATOM 0 H GLN A 55 8.920 10.499 6.885 1.00 0.36 H new ATOM 0 HA GLN A 55 8.690 12.529 4.786 1.00 0.43 H new ATOM 0 HB2 GLN A 55 10.959 11.514 6.545 1.00 0.61 H new ATOM 0 HB3 GLN A 55 11.245 12.602 5.202 1.00 0.61 H new ATOM 0 HG2 GLN A 55 9.723 14.271 6.234 1.00 1.43 H new ATOM 0 HG3 GLN A 55 9.450 13.184 7.582 1.00 1.43 H new ATOM 0 HE21 GLN A 55 10.270 14.687 9.083 1.00 2.69 H new ATOM 0 HE22 GLN A 55 11.998 15.034 9.203 1.00 2.69 H new ATOM 841 N HIS A 56 10.186 9.619 4.368 1.00 0.36 N ATOM 842 CA HIS A 56 10.689 8.723 3.321 1.00 0.41 C ATOM 843 C HIS A 56 9.554 7.909 2.723 1.00 0.35 C ATOM 844 O HIS A 56 9.518 7.634 1.534 1.00 0.42 O ATOM 845 CB HIS A 56 11.787 7.797 3.867 1.00 0.54 C ATOM 846 CG HIS A 56 11.337 6.847 4.936 1.00 0.58 C ATOM 847 ND1 HIS A 56 10.820 5.606 4.652 1.00 0.87 N ATOM 848 CD2 HIS A 56 11.308 6.967 6.282 1.00 1.06 C ATOM 849 CE1 HIS A 56 10.484 5.003 5.776 1.00 1.11 C ATOM 850 NE2 HIS A 56 10.774 5.805 6.783 1.00 1.33 N ATOM 0 H HIS A 56 10.202 9.230 5.311 1.00 0.36 H new ATOM 0 HA HIS A 56 11.126 9.338 2.534 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.201 7.221 3.040 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.596 8.411 4.264 1.00 0.54 H new ATOM 0 HD2 HIS A 56 11.642 7.818 6.857 1.00 1.06 H new ATOM 0 HE1 HIS A 56 10.046 4.019 5.858 1.00 1.11 H new ATOM 0 HE2 HIS A 56 10.626 5.596 7.770 1.00 1.33 H new ATOM 859 N LEU A 57 8.641 7.531 3.576 1.00 0.28 N ATOM 860 CA LEU A 57 7.446 6.824 3.200 1.00 0.25 C ATOM 861 C LEU A 57 6.292 7.679 3.636 1.00 0.23 C ATOM 862 O LEU A 57 6.021 7.787 4.812 1.00 0.29 O ATOM 863 CB LEU A 57 7.462 5.440 3.914 1.00 0.38 C ATOM 864 CG LEU A 57 6.198 4.547 4.007 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.917 4.219 5.458 1.00 1.11 C ATOM 866 CD2 LEU A 57 4.958 5.139 3.356 1.00 1.10 C ATOM 0 H LEU A 57 8.709 7.711 4.578 1.00 0.28 H new ATOM 0 HA LEU A 57 7.369 6.641 2.128 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.233 4.844 3.425 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.797 5.618 4.936 1.00 0.38 H new ATOM 0 HG LEU A 57 6.422 3.644 3.440 1.00 0.28 H new ATOM 0 HD11 LEU A 57 5.028 3.591 5.524 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.769 3.688 5.882 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.751 5.142 6.014 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.123 4.448 3.469 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.712 6.086 3.836 1.00 1.10 H new ATOM 0 HD23 LEU A 57 5.149 5.308 2.296 1.00 1.10 H new ATOM 878 N GLN A 58 5.639 8.291 2.691 1.00 0.20 N ATOM 879 CA GLN A 58 4.364 8.854 2.919 1.00 0.21 C ATOM 880 C GLN A 58 3.360 7.886 2.359 1.00 0.18 C ATOM 881 O GLN A 58 3.319 7.620 1.159 1.00 0.19 O ATOM 882 CB GLN A 58 4.209 10.195 2.212 1.00 0.27 C ATOM 883 CG GLN A 58 5.371 11.147 2.392 1.00 0.46 C ATOM 884 CD GLN A 58 6.449 10.983 1.348 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.365 11.559 0.266 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.482 10.239 1.675 1.00 0.28 N ATOM 0 H GLN A 58 5.988 8.408 1.740 1.00 0.20 H new ATOM 0 HA GLN A 58 4.222 9.028 3.986 1.00 0.21 H new ATOM 0 HB2 GLN A 58 4.068 10.014 1.146 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.302 10.678 2.575 1.00 0.27 H new ATOM 0 HG2 GLN A 58 5.000 12.171 2.362 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.806 10.995 3.380 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.511 9.778 2.585 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.255 10.122 1.019 1.00 0.28 H new ATOM 895 N LEU A 59 2.573 7.370 3.235 1.00 0.20 N ATOM 896 CA LEU A 59 1.462 6.536 2.879 1.00 0.20 C ATOM 897 C LEU A 59 0.273 7.473 2.833 1.00 0.21 C ATOM 898 O LEU A 59 -0.333 7.800 3.851 1.00 0.23 O ATOM 899 CB LEU A 59 1.285 5.398 3.918 1.00 0.23 C ATOM 900 CG LEU A 59 0.372 4.225 3.568 1.00 0.23 C ATOM 901 CD1 LEU A 59 0.137 3.441 4.837 1.00 0.26 C ATOM 902 CD2 LEU A 59 -0.926 4.690 2.936 1.00 0.23 C ATOM 0 H LEU A 59 2.678 7.513 4.239 1.00 0.20 H new ATOM 0 HA LEU A 59 1.596 6.033 1.921 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.273 4.994 4.138 1.00 0.23 H new ATOM 0 HB3 LEU A 59 0.911 5.846 4.839 1.00 0.23 H new ATOM 0 HG LEU A 59 0.846 3.589 2.820 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.513 2.592 4.625 1.00 0.26 H new ATOM 0 HD12 LEU A 59 1.090 3.080 5.224 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.336 4.084 5.580 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.547 3.825 2.702 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.457 5.340 3.631 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.708 5.239 2.020 1.00 0.23 H new ATOM 914 N HIS A 60 0.013 7.958 1.643 1.00 0.22 N ATOM 915 CA HIS A 60 -1.030 8.877 1.387 1.00 0.25 C ATOM 916 C HIS A 60 -2.310 8.147 1.189 1.00 0.24 C ATOM 917 O HIS A 60 -2.354 6.949 0.936 1.00 0.26 O ATOM 918 CB HIS A 60 -0.770 9.715 0.141 1.00 0.37 C ATOM 919 CG HIS A 60 0.326 10.725 0.268 1.00 0.79 C ATOM 920 ND1 HIS A 60 0.114 11.997 0.744 1.00 1.48 N ATOM 921 CD2 HIS A 60 1.641 10.657 -0.041 1.00 1.65 C ATOM 922 CE1 HIS A 60 1.245 12.671 0.719 1.00 1.91 C ATOM 923 NE2 HIS A 60 2.192 11.884 0.247 1.00 2.03 N ATOM 0 H HIS A 60 0.547 7.706 0.811 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.083 9.540 2.250 1.00 0.25 H new ATOM 0 HB2 HIS A 60 -0.530 9.045 -0.684 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -1.691 10.234 -0.127 1.00 0.37 H new ATOM 0 HD2 HIS A 60 2.162 9.799 -0.440 1.00 1.65 H new ATOM 0 HE1 HIS A 60 1.375 13.696 1.032 1.00 1.91 H new ATOM 0 HE2 HIS A 60 3.170 12.142 0.117 1.00 2.03 H new ATOM 932 N ASP A 61 -3.318 8.912 1.311 1.00 0.29 N ATOM 933 CA ASP A 61 -4.658 8.495 1.104 1.00 0.32 C ATOM 934 C ASP A 61 -5.411 9.575 0.388 1.00 0.35 C ATOM 935 O ASP A 61 -5.592 10.691 0.868 1.00 0.48 O ATOM 936 CB ASP A 61 -5.358 8.146 2.391 1.00 0.44 C ATOM 937 CG ASP A 61 -5.192 9.183 3.493 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.197 9.101 4.244 1.00 0.73 O ATOM 939 OD2 ASP A 61 -6.055 10.083 3.616 1.00 0.92 O ATOM 0 H ASP A 61 -3.237 9.895 1.570 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.632 7.589 0.499 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.421 8.014 2.189 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -4.980 7.188 2.749 1.00 0.44 H new ATOM 944 N SER A 62 -5.790 9.222 -0.788 1.00 0.29 N ATOM 945 CA SER A 62 -6.591 10.075 -1.628 1.00 0.32 C ATOM 946 C SER A 62 -8.019 9.603 -1.570 1.00 0.32 C ATOM 947 O SER A 62 -8.282 8.417 -1.405 1.00 0.41 O ATOM 948 CB SER A 62 -6.099 10.073 -3.071 1.00 0.40 C ATOM 949 OG SER A 62 -4.684 10.080 -3.128 1.00 0.47 O ATOM 0 H SER A 62 -5.556 8.324 -1.210 1.00 0.29 H new ATOM 0 HA SER A 62 -6.512 11.099 -1.262 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.482 9.193 -3.588 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.491 10.946 -3.593 1.00 0.40 H new ATOM 0 HG SER A 62 -4.342 9.199 -2.869 1.00 0.47 H new ATOM 955 N TYR A 63 -8.930 10.521 -1.717 1.00 0.38 N ATOM 956 CA TYR A 63 -10.321 10.219 -1.535 1.00 0.45 C ATOM 957 C TYR A 63 -11.168 10.937 -2.539 1.00 0.47 C ATOM 958 O TYR A 63 -11.470 12.127 -2.423 1.00 0.54 O ATOM 959 CB TYR A 63 -10.741 10.529 -0.107 1.00 0.64 C ATOM 960 CG TYR A 63 -12.235 10.619 0.136 1.00 0.63 C ATOM 961 CD1 TYR A 63 -13.024 9.478 0.170 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.850 11.848 0.350 1.00 0.87 C ATOM 963 CE1 TYR A 63 -14.382 9.556 0.410 1.00 1.05 C ATOM 964 CE2 TYR A 63 -14.206 11.934 0.594 1.00 1.06 C ATOM 965 CZ TYR A 63 -14.968 10.784 0.622 1.00 1.07 C ATOM 966 OH TYR A 63 -16.317 10.868 0.870 1.00 1.39 O ATOM 0 H TYR A 63 -8.733 11.491 -1.964 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.473 9.153 -1.704 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -10.331 9.760 0.547 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -10.286 11.474 0.188 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.569 8.513 0.006 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -12.257 12.750 0.325 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -14.982 8.658 0.431 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -14.668 12.896 0.762 1.00 1.06 H new ATOM 0 HH TYR A 63 -16.568 11.807 0.998 1.00 1.39 H new ATOM 976 N ASP A 64 -11.505 10.194 -3.555 1.00 0.47 N ATOM 977 CA ASP A 64 -12.434 10.642 -4.544 1.00 0.57 C ATOM 978 C ASP A 64 -13.670 9.790 -4.487 1.00 0.57 C ATOM 979 O ASP A 64 -13.682 8.659 -4.959 1.00 0.63 O ATOM 980 CB ASP A 64 -11.844 10.529 -5.914 1.00 0.71 C ATOM 981 CG ASP A 64 -10.699 11.484 -6.167 1.00 1.53 C ATOM 982 OD1 ASP A 64 -10.953 12.696 -6.324 1.00 2.00 O ATOM 983 OD2 ASP A 64 -9.535 11.032 -6.192 1.00 2.42 O ATOM 0 H ASP A 64 -11.139 9.256 -3.718 1.00 0.47 H new ATOM 0 HA ASP A 64 -12.676 11.685 -4.341 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -11.493 9.508 -6.065 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -12.626 10.710 -6.652 1.00 0.71 H new ATOM 988 N ARG A 65 -14.687 10.321 -3.882 1.00 0.60 N ATOM 989 CA ARG A 65 -15.962 9.642 -3.790 1.00 0.64 C ATOM 990 C ARG A 65 -16.671 9.671 -5.134 1.00 0.74 C ATOM 991 O ARG A 65 -17.418 8.755 -5.480 1.00 0.88 O ATOM 992 CB ARG A 65 -16.828 10.278 -2.711 1.00 0.74 C ATOM 993 CG ARG A 65 -17.409 9.241 -1.784 1.00 0.86 C ATOM 994 CD ARG A 65 -18.258 8.247 -2.555 1.00 1.00 C ATOM 995 NE ARG A 65 -19.674 8.626 -2.573 1.00 1.19 N ATOM 996 CZ ARG A 65 -20.490 8.438 -3.609 1.00 1.80 C ATOM 997 NH1 ARG A 65 -20.009 8.021 -4.773 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.780 8.718 -3.487 1.00 2.07 N ATOM 0 H ARG A 65 -14.666 11.237 -3.435 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.785 8.602 -3.515 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.232 10.988 -2.137 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.635 10.843 -3.177 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -16.605 8.716 -1.268 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -18.014 9.728 -1.020 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -17.890 8.174 -3.578 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -18.154 7.259 -2.108 1.00 1.00 H new ATOM 0 HE ARG A 65 -20.060 9.063 -1.736 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -19.010 7.843 -4.878 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -20.638 7.879 -5.563 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -22.143 9.075 -2.603 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -22.410 8.576 -4.277 1.00 2.07 H new ATOM 1012 N ALA A 66 -16.396 10.714 -5.888 1.00 0.80 N ATOM 1013 CA ALA A 66 -16.933 10.875 -7.233 1.00 0.93 C ATOM 1014 C ALA A 66 -16.482 9.736 -8.130 1.00 0.83 C ATOM 1015 O ALA A 66 -17.188 9.326 -9.047 1.00 0.92 O ATOM 1016 CB ALA A 66 -16.495 12.209 -7.817 1.00 1.15 C ATOM 0 H ALA A 66 -15.792 11.480 -5.589 1.00 0.80 H new ATOM 0 HA ALA A 66 -18.021 10.856 -7.174 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -16.903 12.318 -8.822 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -16.861 13.020 -7.187 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -15.407 12.247 -7.861 1.00 1.15 H new ATOM 1022 N SER A 67 -15.302 9.228 -7.841 1.00 0.72 N ATOM 1023 CA SER A 67 -14.757 8.100 -8.568 1.00 0.72 C ATOM 1024 C SER A 67 -14.893 6.840 -7.725 1.00 0.58 C ATOM 1025 O SER A 67 -14.755 5.725 -8.228 1.00 0.63 O ATOM 1026 CB SER A 67 -13.295 8.365 -8.925 1.00 0.83 C ATOM 1027 OG SER A 67 -12.807 7.403 -9.844 1.00 1.41 O ATOM 0 H SER A 67 -14.697 9.582 -7.100 1.00 0.72 H new ATOM 0 HA SER A 67 -15.311 7.960 -9.496 1.00 0.72 H new ATOM 0 HB2 SER A 67 -13.198 9.362 -9.354 1.00 0.83 H new ATOM 0 HB3 SER A 67 -12.688 8.347 -8.020 1.00 0.83 H new ATOM 0 HG SER A 67 -13.281 6.555 -9.713 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.190 7.038 -6.438 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.355 5.942 -5.487 1.00 0.50 C ATOM 1035 C LYS A 68 -14.037 5.181 -5.336 1.00 0.44 C ATOM 1036 O LYS A 68 -14.006 3.969 -5.171 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.497 5.033 -5.947 1.00 0.70 C ATOM 1038 CG LYS A 68 -16.883 3.940 -4.959 1.00 0.66 C ATOM 1039 CD LYS A 68 -18.385 3.724 -4.909 1.00 1.38 C ATOM 1040 CE LYS A 68 -18.991 4.310 -3.638 1.00 2.27 C ATOM 1041 NZ LYS A 68 -20.472 4.159 -3.621 1.00 3.31 N ATOM 0 H LYS A 68 -15.322 7.963 -6.029 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.618 6.335 -4.505 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.374 5.648 -6.147 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -16.213 4.566 -6.890 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -16.392 3.008 -5.239 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -16.521 4.205 -3.965 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.849 4.185 -5.781 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -18.602 2.657 -4.959 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -18.563 3.813 -2.767 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -18.731 5.366 -3.563 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -20.853 4.568 -2.744 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -20.881 4.654 -4.439 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -20.719 3.150 -3.668 1.00 3.31 H new ATOM 1055 N VAL A 69 -12.943 5.921 -5.371 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.630 5.349 -5.178 1.00 0.31 C ATOM 1057 C VAL A 69 -10.895 6.110 -4.093 1.00 0.29 C ATOM 1058 O VAL A 69 -10.810 7.340 -4.109 1.00 0.35 O ATOM 1059 CB VAL A 69 -10.744 5.385 -6.446 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.575 4.415 -6.323 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.547 5.105 -7.709 1.00 0.43 C ATOM 0 H VAL A 69 -12.943 6.928 -5.533 1.00 0.34 H new ATOM 0 HA VAL A 69 -11.799 4.306 -4.910 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.345 6.396 -6.531 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -8.968 4.460 -7.227 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -8.964 4.688 -5.462 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -9.955 3.402 -6.191 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -10.886 5.140 -8.575 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -12.002 4.117 -7.639 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.328 5.857 -7.818 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.403 5.366 -3.151 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.419 5.855 -2.233 1.00 0.25 C ATOM 1073 C TYR A 70 -8.102 5.384 -2.755 1.00 0.22 C ATOM 1074 O TYR A 70 -7.840 4.182 -2.811 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.559 5.316 -0.815 1.00 0.31 C ATOM 1076 CG TYR A 70 -10.855 5.612 -0.106 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -12.040 5.028 -0.530 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -10.902 6.491 0.959 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -13.236 5.307 0.097 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -12.096 6.778 1.592 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.226 6.127 1.243 1.00 0.76 C ATOM 1082 OH TYR A 70 -14.449 6.473 1.785 1.00 0.93 O ATOM 0 H TYR A 70 -10.674 4.395 -2.996 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.529 6.937 -2.169 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.427 4.234 -0.847 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -8.743 5.719 -0.215 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -12.025 4.343 -1.365 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -9.992 6.961 1.302 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -14.163 4.905 -0.283 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -12.126 7.527 2.370 1.00 1.24 H new ATOM 0 HH TYR A 70 -14.512 7.449 1.854 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.303 6.302 -3.172 1.00 0.20 N ATOM 1093 CA LEU A 71 -5.976 5.946 -3.588 1.00 0.19 C ATOM 1094 C LEU A 71 -5.020 6.226 -2.482 1.00 0.20 C ATOM 1095 O LEU A 71 -4.674 7.365 -2.190 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.449 6.641 -4.836 1.00 0.25 C ATOM 1097 CG LEU A 71 -3.963 6.306 -5.054 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.792 4.893 -5.580 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -3.261 7.299 -5.946 1.00 0.52 C ATOM 0 H LEU A 71 -7.532 7.294 -3.237 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.052 4.888 -3.841 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.029 6.330 -5.705 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -5.574 7.719 -4.739 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.487 6.374 -4.076 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.732 4.684 -5.724 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -4.207 4.185 -4.862 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.314 4.793 -6.531 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -2.217 7.009 -6.062 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -3.744 7.315 -6.923 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -3.315 8.291 -5.498 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.594 5.173 -1.890 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.514 5.221 -0.976 1.00 0.21 C ATOM 1113 C PHE A 72 -2.233 5.142 -1.766 1.00 0.23 C ATOM 1114 O PHE A 72 -1.915 4.138 -2.404 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.613 4.078 0.000 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.771 4.175 0.955 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -6.055 3.876 0.532 1.00 0.28 C ATOM 1118 CD2 PHE A 72 -4.577 4.557 2.274 1.00 0.31 C ATOM 1119 CE1 PHE A 72 -7.124 3.956 1.403 1.00 0.30 C ATOM 1120 CE2 PHE A 72 -5.643 4.637 3.149 1.00 0.33 C ATOM 1121 CZ PHE A 72 -6.903 4.371 2.729 1.00 0.30 C ATOM 0 H PHE A 72 -4.989 4.243 -2.027 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.537 6.148 -0.403 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.695 3.146 -0.558 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.688 4.025 0.574 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -6.223 3.576 -0.492 1.00 0.28 H new ATOM 0 HD2 PHE A 72 -3.582 4.794 2.621 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -8.119 3.703 1.070 1.00 0.30 H new ATOM 0 HE2 PHE A 72 -5.470 4.914 4.178 1.00 0.33 H new ATOM 0 HZ PHE A 72 -7.735 4.477 3.410 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.529 6.220 -1.719 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.312 6.385 -2.491 1.00 0.26 C ATOM 1133 C GLU A 73 0.889 6.382 -1.594 1.00 0.20 C ATOM 1134 O GLU A 73 1.057 7.260 -0.748 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.276 7.683 -3.300 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.509 8.555 -3.174 1.00 0.59 C ATOM 1137 CD GLU A 73 -1.308 9.911 -3.818 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -0.666 10.784 -3.194 1.00 1.32 O ATOM 1139 OE2 GLU A 73 -1.814 10.112 -4.942 1.00 1.09 O ATOM 0 H GLU A 73 -1.770 7.027 -1.144 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.296 5.543 -3.183 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.593 8.263 -2.989 1.00 0.42 H new ATOM 0 HB3 GLU A 73 -0.133 7.433 -4.351 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -2.358 8.054 -3.640 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -1.755 8.686 -2.120 1.00 0.59 H new ATOM 1146 N LEU A 74 1.721 5.404 -1.791 1.00 0.21 N ATOM 1147 CA LEU A 74 2.994 5.377 -1.153 1.00 0.21 C ATOM 1148 C LEU A 74 3.931 6.220 -1.919 1.00 0.20 C ATOM 1149 O LEU A 74 4.167 6.004 -3.109 1.00 0.25 O ATOM 1150 CB LEU A 74 3.604 3.997 -1.108 1.00 0.27 C ATOM 1151 CG LEU A 74 2.714 2.964 -0.489 1.00 0.27 C ATOM 1152 CD1 LEU A 74 3.461 1.689 -0.178 1.00 0.85 C ATOM 1153 CD2 LEU A 74 2.099 3.552 0.741 1.00 0.96 C ATOM 0 H LEU A 74 1.533 4.606 -2.398 1.00 0.21 H new ATOM 0 HA LEU A 74 2.836 5.729 -0.134 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.854 3.687 -2.123 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.538 4.041 -0.549 1.00 0.27 H new ATOM 0 HG LEU A 74 1.933 2.689 -1.198 1.00 0.27 H new ATOM 0 HD11 LEU A 74 2.778 0.967 0.270 1.00 0.85 H new ATOM 0 HD12 LEU A 74 3.874 1.276 -1.098 1.00 0.85 H new ATOM 0 HD13 LEU A 74 4.271 1.903 0.519 1.00 0.85 H new ATOM 0 HD21 LEU A 74 1.446 2.816 1.209 1.00 0.96 H new ATOM 0 HD22 LEU A 74 2.885 3.836 1.441 1.00 0.96 H new ATOM 0 HD23 LEU A 74 1.517 4.434 0.471 1.00 0.96 H new ATOM 1165 N HIS A 75 4.479 7.145 -1.236 1.00 0.18 N ATOM 1166 CA HIS A 75 5.637 7.789 -1.729 1.00 0.19 C ATOM 1167 C HIS A 75 6.695 7.340 -0.794 1.00 0.19 C ATOM 1168 O HIS A 75 6.872 7.886 0.286 1.00 0.19 O ATOM 1169 CB HIS A 75 5.504 9.316 -1.737 1.00 0.23 C ATOM 1170 CG HIS A 75 4.535 9.840 -2.757 1.00 0.39 C ATOM 1171 ND1 HIS A 75 4.128 11.158 -2.813 1.00 1.01 N ATOM 1172 CD2 HIS A 75 3.891 9.213 -3.770 1.00 1.15 C ATOM 1173 CE1 HIS A 75 3.282 11.315 -3.813 1.00 0.88 C ATOM 1174 NE2 HIS A 75 3.124 10.152 -4.411 1.00 0.94 N ATOM 0 H HIS A 75 4.147 7.477 -0.331 1.00 0.18 H new ATOM 0 HA HIS A 75 5.842 7.535 -2.769 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.189 9.648 -0.748 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.484 9.755 -1.923 1.00 0.23 H new ATOM 0 HD2 HIS A 75 3.967 8.167 -4.026 1.00 1.15 H new ATOM 0 HE1 HIS A 75 2.801 12.240 -4.094 1.00 0.88 H new ATOM 0 HE2 HIS A 75 2.528 9.978 -5.220 1.00 0.94 H new ATOM 1183 N ILE A 76 7.349 6.291 -1.187 1.00 0.21 N ATOM 1184 CA ILE A 76 8.387 5.746 -0.389 1.00 0.23 C ATOM 1185 C ILE A 76 9.677 5.808 -1.147 1.00 0.25 C ATOM 1186 O ILE A 76 9.979 4.999 -1.997 1.00 0.28 O ATOM 1187 CB ILE A 76 8.067 4.311 0.003 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.652 4.229 0.618 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.128 3.774 0.953 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.302 2.873 1.172 1.00 0.52 C ATOM 0 H ILE A 76 7.176 5.797 -2.062 1.00 0.21 H new ATOM 0 HA ILE A 76 8.478 6.330 0.527 1.00 0.23 H new ATOM 0 HB ILE A 76 8.077 3.684 -0.889 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.570 4.968 1.415 1.00 0.29 H new ATOM 0 HG13 ILE A 76 5.920 4.499 -0.143 1.00 0.29 H new ATOM 0 HG21 ILE A 76 8.886 2.747 1.225 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.102 3.800 0.463 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.157 4.390 1.852 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.294 2.898 1.585 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.349 2.131 0.375 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.009 2.607 1.957 1.00 0.52 H new ATOM 1202 N THR A 77 10.426 6.780 -0.817 1.00 0.24 N ATOM 1203 CA THR A 77 11.632 7.049 -1.466 1.00 0.26 C ATOM 1204 C THR A 77 12.777 6.591 -0.642 1.00 0.36 C ATOM 1205 O THR A 77 12.657 6.269 0.546 1.00 0.58 O ATOM 1206 CB THR A 77 11.787 8.538 -1.766 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.748 9.303 -0.552 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.685 8.978 -2.692 1.00 0.37 C ATOM 0 H THR A 77 10.206 7.430 -0.062 1.00 0.24 H new ATOM 0 HA THR A 77 11.621 6.506 -2.411 1.00 0.26 H new ATOM 0 HB THR A 77 12.752 8.706 -2.245 1.00 0.32 H new ATOM 0 HG1 THR A 77 12.660 9.554 -0.294 1.00 0.41 H new ATOM 0 HG21 THR A 77 10.794 10.041 -2.908 1.00 0.37 H new ATOM 0 HG22 THR A 77 10.743 8.411 -3.621 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.719 8.801 -2.218 1.00 0.37 H new ATOM 1216 N ASP A 78 13.855 6.575 -1.335 1.00 0.30 N ATOM 1217 CA ASP A 78 15.158 6.218 -0.833 1.00 0.45 C ATOM 1218 C ASP A 78 15.088 5.036 0.094 1.00 0.45 C ATOM 1219 O ASP A 78 15.301 5.130 1.304 1.00 0.70 O ATOM 1220 CB ASP A 78 15.778 7.357 -0.114 1.00 0.61 C ATOM 1221 CG ASP A 78 15.826 8.641 -0.918 1.00 1.44 C ATOM 1222 OD1 ASP A 78 16.796 8.840 -1.677 1.00 1.97 O ATOM 1223 OD2 ASP A 78 14.892 9.465 -0.785 1.00 2.12 O ATOM 0 H ASP A 78 13.868 6.822 -2.325 1.00 0.30 H new ATOM 0 HA ASP A 78 15.769 5.954 -1.697 1.00 0.45 H new ATOM 0 HB2 ASP A 78 15.223 7.537 0.807 1.00 0.61 H new ATOM 0 HB3 ASP A 78 16.793 7.083 0.174 1.00 0.61 H new ATOM 1228 N ALA A 79 14.756 3.949 -0.506 1.00 0.37 N ATOM 1229 CA ALA A 79 14.570 2.693 0.184 1.00 0.34 C ATOM 1230 C ALA A 79 15.858 2.233 0.848 1.00 0.38 C ATOM 1231 O ALA A 79 16.881 2.070 0.190 1.00 0.40 O ATOM 1232 CB ALA A 79 14.069 1.642 -0.789 1.00 0.34 C ATOM 0 H ALA A 79 14.599 3.892 -1.512 1.00 0.37 H new ATOM 0 HA ALA A 79 13.827 2.838 0.968 1.00 0.34 H new ATOM 0 HB1 ALA A 79 13.930 0.697 -0.264 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.118 1.964 -1.214 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.798 1.509 -1.589 1.00 0.34 H new ATOM 1238 N GLN A 80 15.797 2.086 2.162 1.00 0.47 N ATOM 1239 CA GLN A 80 16.853 1.449 2.935 1.00 0.55 C ATOM 1240 C GLN A 80 17.134 0.055 2.374 1.00 0.43 C ATOM 1241 O GLN A 80 16.201 -0.652 2.010 1.00 0.43 O ATOM 1242 CB GLN A 80 16.392 1.361 4.399 1.00 0.74 C ATOM 1243 CG GLN A 80 17.103 0.300 5.221 1.00 0.78 C ATOM 1244 CD GLN A 80 18.311 0.817 5.989 1.00 1.06 C ATOM 1245 OE1 GLN A 80 18.652 0.285 7.041 1.00 1.37 O ATOM 1246 NE2 GLN A 80 18.959 1.857 5.479 1.00 1.43 N ATOM 0 H GLN A 80 15.010 2.407 2.726 1.00 0.47 H new ATOM 0 HA GLN A 80 17.773 2.030 2.876 1.00 0.55 H new ATOM 0 HB2 GLN A 80 16.543 2.331 4.873 1.00 0.74 H new ATOM 0 HB3 GLN A 80 15.321 1.160 4.418 1.00 0.74 H new ATOM 0 HG2 GLN A 80 16.395 -0.133 5.927 1.00 0.78 H new ATOM 0 HG3 GLN A 80 17.424 -0.504 4.558 1.00 0.78 H new ATOM 0 HE21 GLN A 80 18.646 2.273 4.602 1.00 1.43 H new ATOM 0 HE22 GLN A 80 19.770 2.240 5.964 1.00 1.43 H new ATOM 1255 N PRO A 81 18.413 -0.367 2.302 1.00 0.42 N ATOM 1256 CA PRO A 81 18.791 -1.657 1.708 1.00 0.44 C ATOM 1257 C PRO A 81 18.206 -2.840 2.466 1.00 0.54 C ATOM 1258 O PRO A 81 18.260 -3.979 2.006 1.00 1.33 O ATOM 1259 CB PRO A 81 20.319 -1.686 1.802 1.00 0.50 C ATOM 1260 CG PRO A 81 20.729 -0.278 2.057 1.00 0.57 C ATOM 1261 CD PRO A 81 19.586 0.372 2.779 1.00 0.49 C ATOM 0 HA PRO A 81 18.414 -1.743 0.689 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.650 -2.343 2.606 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.762 -2.063 0.880 1.00 0.50 H new ATOM 0 HG2 PRO A 81 21.638 -0.241 2.657 1.00 0.57 H new ATOM 0 HG3 PRO A 81 20.942 0.240 1.122 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.698 0.293 3.860 1.00 0.49 H new ATOM 0 HD3 PRO A 81 19.514 1.434 2.543 1.00 0.49 H new ATOM 1269 N ALA A 82 17.644 -2.561 3.630 1.00 0.81 N ATOM 1270 CA ALA A 82 17.014 -3.583 4.439 1.00 0.88 C ATOM 1271 C ALA A 82 15.506 -3.576 4.239 1.00 0.77 C ATOM 1272 O ALA A 82 14.771 -4.232 4.982 1.00 0.91 O ATOM 1273 CB ALA A 82 17.354 -3.378 5.908 1.00 1.12 C ATOM 0 H ALA A 82 17.613 -1.626 4.036 1.00 0.81 H new ATOM 0 HA ALA A 82 17.396 -4.554 4.123 1.00 0.88 H new ATOM 0 HB1 ALA A 82 16.874 -4.154 6.504 1.00 1.12 H new ATOM 0 HB2 ALA A 82 18.434 -3.434 6.043 1.00 1.12 H new ATOM 0 HB3 ALA A 82 16.998 -2.400 6.231 1.00 1.12 H new ATOM 1279 N PHE A 83 15.033 -2.834 3.236 1.00 0.64 N ATOM 1280 CA PHE A 83 13.617 -2.754 2.984 1.00 0.68 C ATOM 1281 C PHE A 83 13.200 -3.750 1.920 1.00 0.76 C ATOM 1282 O PHE A 83 12.001 -3.928 1.690 1.00 1.24 O ATOM 1283 CB PHE A 83 13.228 -1.347 2.545 1.00 0.74 C ATOM 1284 CG PHE A 83 12.954 -0.366 3.658 1.00 0.70 C ATOM 1285 CD1 PHE A 83 12.781 -0.832 4.952 1.00 0.80 C ATOM 1286 CD2 PHE A 83 12.858 1.004 3.426 1.00 0.75 C ATOM 1287 CE1 PHE A 83 12.519 0.036 5.991 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.597 1.877 4.465 1.00 0.83 C ATOM 1289 CZ PHE A 83 12.476 1.492 5.671 1.00 0.88 C ATOM 0 H PHE A 83 15.613 -2.290 2.598 1.00 0.64 H new ATOM 0 HA PHE A 83 13.101 -2.994 3.913 1.00 0.68 H new ATOM 0 HB2 PHE A 83 14.028 -0.947 1.922 1.00 0.74 H new ATOM 0 HB3 PHE A 83 12.339 -1.415 1.918 1.00 0.74 H new ATOM 0 HD1 PHE A 83 12.853 -1.891 5.150 1.00 0.80 H new ATOM 0 HD2 PHE A 83 12.989 1.388 2.425 1.00 0.75 H new ATOM 0 HE1 PHE A 83 12.352 -0.324 6.995 1.00 0.90 H new ATOM 0 HE2 PHE A 83 12.492 2.929 4.244 1.00 0.83 H new ATOM 0 HZ PHE A 83 12.343 2.217 6.461 1.00 0.88 H new ATOM 1299 N THR A 84 14.191 -4.351 1.248 1.00 0.55 N ATOM 1300 CA THR A 84 13.965 -5.418 0.310 1.00 0.58 C ATOM 1301 C THR A 84 13.034 -6.391 0.912 1.00 0.80 C ATOM 1302 O THR A 84 13.380 -7.174 1.785 1.00 1.22 O ATOM 1303 CB THR A 84 15.217 -6.194 -0.113 1.00 0.97 C ATOM 1304 OG1 THR A 84 16.067 -5.380 -0.926 1.00 1.10 O ATOM 1305 CG2 THR A 84 14.802 -7.439 -0.887 1.00 1.17 C ATOM 0 H THR A 84 15.173 -4.096 1.353 1.00 0.55 H new ATOM 0 HA THR A 84 13.574 -4.934 -0.585 1.00 0.58 H new ATOM 0 HB THR A 84 15.770 -6.482 0.781 1.00 0.97 H new ATOM 0 HG1 THR A 84 16.861 -5.893 -1.184 1.00 1.10 H new ATOM 0 HG21 THR A 84 15.691 -7.993 -1.189 1.00 1.17 H new ATOM 0 HG22 THR A 84 14.179 -8.070 -0.254 1.00 1.17 H new ATOM 0 HG23 THR A 84 14.239 -7.146 -1.773 1.00 1.17 H new ATOM 1313 N GLY A 85 11.851 -6.266 0.481 1.00 0.87 N ATOM 1314 CA GLY A 85 10.822 -7.130 0.972 1.00 1.43 C ATOM 1315 C GLY A 85 9.534 -6.979 0.253 1.00 0.96 C ATOM 1316 O GLY A 85 9.490 -6.984 -0.968 1.00 1.29 O ATOM 0 H GLY A 85 11.551 -5.580 -0.211 1.00 0.87 H new ATOM 0 HA2 GLY A 85 11.156 -8.164 0.890 1.00 1.43 H new ATOM 0 HA3 GLY A 85 10.664 -6.929 2.032 1.00 1.43 H new ATOM 1320 N GLY A 86 8.491 -6.793 1.016 1.00 0.52 N ATOM 1321 CA GLY A 86 7.181 -6.830 0.459 1.00 0.52 C ATOM 1322 C GLY A 86 6.184 -6.064 1.274 1.00 0.40 C ATOM 1323 O GLY A 86 5.971 -6.324 2.453 1.00 0.43 O ATOM 0 H GLY A 86 8.530 -6.616 2.020 1.00 0.52 H new ATOM 0 HA2 GLY A 86 7.209 -6.422 -0.551 1.00 0.52 H new ATOM 0 HA3 GLY A 86 6.856 -7.867 0.375 1.00 0.52 H new ATOM 1327 N TYR A 87 5.635 -5.080 0.625 1.00 0.34 N ATOM 1328 CA TYR A 87 4.577 -4.257 1.154 1.00 0.28 C ATOM 1329 C TYR A 87 3.249 -4.987 0.937 1.00 0.30 C ATOM 1330 O TYR A 87 2.900 -5.320 -0.196 1.00 0.39 O ATOM 1331 CB TYR A 87 4.603 -2.913 0.418 1.00 0.35 C ATOM 1332 CG TYR A 87 5.908 -2.139 0.583 1.00 0.39 C ATOM 1333 CD1 TYR A 87 7.105 -2.687 0.155 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.952 -0.861 1.158 1.00 0.47 C ATOM 1335 CE1 TYR A 87 8.293 -1.999 0.290 1.00 0.49 C ATOM 1336 CE2 TYR A 87 7.140 -0.175 1.292 1.00 0.54 C ATOM 1337 CZ TYR A 87 8.274 -0.704 0.909 1.00 0.54 C ATOM 1338 OH TYR A 87 9.496 -0.065 0.981 1.00 0.63 O ATOM 0 H TYR A 87 5.918 -4.816 -0.319 1.00 0.34 H new ATOM 0 HA TYR A 87 4.702 -4.073 2.221 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.429 -3.089 -0.644 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.779 -2.297 0.779 1.00 0.35 H new ATOM 0 HD1 TYR A 87 7.109 -3.670 -0.292 1.00 0.42 H new ATOM 0 HD2 TYR A 87 5.036 -0.405 1.503 1.00 0.47 H new ATOM 0 HE1 TYR A 87 9.220 -2.427 -0.063 1.00 0.49 H new ATOM 0 HE2 TYR A 87 7.135 0.816 1.721 1.00 0.54 H new ATOM 0 HH TYR A 87 9.502 0.699 0.367 1.00 0.63 H new ATOM 1348 N ARG A 88 2.527 -5.267 2.011 1.00 0.33 N ATOM 1349 CA ARG A 88 1.322 -6.069 1.922 1.00 0.36 C ATOM 1350 C ARG A 88 0.103 -5.213 2.195 1.00 0.36 C ATOM 1351 O ARG A 88 -0.170 -4.848 3.334 1.00 0.60 O ATOM 1352 CB ARG A 88 1.395 -7.240 2.909 1.00 0.42 C ATOM 1353 CG ARG A 88 0.076 -7.976 3.113 1.00 1.09 C ATOM 1354 CD ARG A 88 0.251 -9.147 4.061 1.00 1.23 C ATOM 1355 NE ARG A 88 -1.022 -9.757 4.440 1.00 1.73 N ATOM 1356 CZ ARG A 88 -1.133 -10.963 4.991 1.00 2.17 C ATOM 1357 NH1 ARG A 88 -0.060 -11.732 5.151 1.00 2.11 N ATOM 1358 NH2 ARG A 88 -2.325 -11.409 5.361 1.00 3.15 N ATOM 0 H ARG A 88 2.756 -4.950 2.953 1.00 0.33 H new ATOM 0 HA ARG A 88 1.238 -6.473 0.913 1.00 0.36 H new ATOM 0 HB2 ARG A 88 2.142 -7.950 2.556 1.00 0.42 H new ATOM 0 HB3 ARG A 88 1.741 -6.866 3.873 1.00 0.42 H new ATOM 0 HG2 ARG A 88 -0.671 -7.289 3.511 1.00 1.09 H new ATOM 0 HG3 ARG A 88 -0.298 -8.332 2.153 1.00 1.09 H new ATOM 0 HD2 ARG A 88 0.885 -9.899 3.591 1.00 1.23 H new ATOM 0 HD3 ARG A 88 0.769 -8.809 4.958 1.00 1.23 H new ATOM 0 HE ARG A 88 -1.877 -9.226 4.272 1.00 1.73 H new ATOM 0 HH11 ARG A 88 0.856 -11.398 4.851 1.00 2.11 H new ATOM 0 HH12 ARG A 88 -0.153 -12.655 5.574 1.00 2.11 H new ATOM 0 HH21 ARG A 88 -3.152 -10.828 5.223 1.00 3.15 H new ATOM 0 HH22 ARG A 88 -2.415 -12.333 5.784 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.617 -4.878 1.148 1.00 0.26 N ATOM 1373 CA CYS A 89 -1.808 -4.078 1.301 1.00 0.27 C ATOM 1374 C CYS A 89 -2.999 -4.992 1.454 1.00 0.25 C ATOM 1375 O CYS A 89 -3.189 -5.923 0.669 1.00 0.31 O ATOM 1376 CB CYS A 89 -2.009 -3.160 0.107 1.00 0.39 C ATOM 1377 SG CYS A 89 -2.825 -1.602 0.505 1.00 1.08 S ATOM 0 H CYS A 89 -0.400 -5.146 0.188 1.00 0.26 H new ATOM 0 HA CYS A 89 -1.700 -3.454 2.188 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -1.038 -2.945 -0.340 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -2.598 -3.684 -0.646 1.00 0.39 H new ATOM 0 HG CYS A 89 -1.931 -0.709 0.810 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.781 -4.731 2.467 1.00 0.26 N ATOM 1384 CA GLU A 90 -4.895 -5.582 2.804 1.00 0.28 C ATOM 1385 C GLU A 90 -6.079 -4.725 3.220 1.00 0.26 C ATOM 1386 O GLU A 90 -6.070 -4.111 4.289 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.471 -6.524 3.929 1.00 0.35 C ATOM 1388 CG GLU A 90 -5.430 -7.670 4.189 1.00 1.19 C ATOM 1389 CD GLU A 90 -4.891 -8.635 5.224 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -4.036 -9.477 4.877 1.00 1.81 O ATOM 1391 OE2 GLU A 90 -5.327 -8.559 6.393 1.00 1.43 O ATOM 0 H GLU A 90 -3.666 -3.925 3.082 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.196 -6.178 1.942 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -3.490 -6.935 3.690 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -4.359 -5.946 4.846 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -6.387 -7.273 4.527 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -5.618 -8.204 3.258 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.076 -4.636 2.359 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.246 -3.846 2.667 1.00 0.22 C ATOM 1400 C VAL A 91 -9.339 -4.714 3.259 1.00 0.22 C ATOM 1401 O VAL A 91 -9.603 -5.832 2.803 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.786 -3.074 1.448 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -9.052 -4.006 0.278 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.037 -2.279 1.821 1.00 0.51 C ATOM 0 H VAL A 91 -7.097 -5.098 1.450 1.00 0.24 H new ATOM 0 HA VAL A 91 -7.932 -3.105 3.403 1.00 0.22 H new ATOM 0 HB VAL A 91 -8.020 -2.366 1.132 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.432 -3.431 -0.566 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -8.125 -4.503 -0.009 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.790 -4.754 0.569 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.401 -1.742 0.945 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.810 -2.961 2.175 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -9.794 -1.566 2.609 1.00 0.51 H new ATOM 1414 N SER A 92 -9.964 -4.171 4.271 1.00 0.22 N ATOM 1415 CA SER A 92 -10.994 -4.860 5.001 1.00 0.25 C ATOM 1416 C SER A 92 -12.160 -3.910 5.171 1.00 0.26 C ATOM 1417 O SER A 92 -12.080 -2.919 5.894 1.00 0.30 O ATOM 1418 CB SER A 92 -10.459 -5.329 6.359 1.00 0.32 C ATOM 1419 OG SER A 92 -11.422 -6.100 7.063 1.00 1.18 O ATOM 0 H SER A 92 -9.770 -3.230 4.614 1.00 0.22 H new ATOM 0 HA SER A 92 -11.320 -5.747 4.458 1.00 0.25 H new ATOM 0 HB2 SER A 92 -9.556 -5.921 6.210 1.00 0.32 H new ATOM 0 HB3 SER A 92 -10.177 -4.463 6.958 1.00 0.32 H new ATOM 0 HG SER A 92 -11.048 -6.384 7.923 1.00 1.18 H new ATOM 1425 N THR A 93 -13.224 -4.191 4.463 1.00 0.28 N ATOM 1426 CA THR A 93 -14.401 -3.360 4.496 1.00 0.35 C ATOM 1427 C THR A 93 -15.580 -4.241 4.806 1.00 0.39 C ATOM 1428 O THR A 93 -15.403 -5.452 4.800 1.00 0.59 O ATOM 1429 CB THR A 93 -14.575 -2.666 3.148 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.291 -2.289 2.657 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.434 -1.426 3.262 1.00 0.57 C ATOM 0 H THR A 93 -13.299 -5.001 3.848 1.00 0.28 H new ATOM 0 HA THR A 93 -14.312 -2.588 5.260 1.00 0.35 H new ATOM 0 HB THR A 93 -15.069 -3.361 2.469 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.667 -2.199 3.408 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.534 -0.961 2.281 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.421 -1.700 3.636 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.967 -0.722 3.951 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.741 -3.623 5.083 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.008 -4.310 5.408 1.00 0.43 C ATOM 1441 C LYS A 94 -17.916 -5.829 5.431 1.00 0.42 C ATOM 1442 O LYS A 94 -18.068 -6.462 6.471 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.117 -3.883 4.438 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.649 -3.343 3.077 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.216 -4.422 2.089 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.257 -5.525 1.930 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.639 -5.000 1.726 1.00 0.65 N ATOM 0 H LYS A 94 -16.829 -2.607 5.088 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.245 -4.000 6.426 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -19.769 -4.739 4.263 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.721 -3.116 4.923 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.457 -2.763 2.632 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -17.816 -2.659 3.238 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -18.026 -3.965 1.118 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.276 -4.860 2.425 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -18.985 -6.154 1.082 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -19.243 -6.160 2.816 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -21.316 -5.789 1.743 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.871 -4.328 2.485 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.694 -4.516 0.807 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.664 -6.383 4.270 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.539 -7.794 4.095 1.00 0.40 C ATOM 1463 C ASP A 95 -16.554 -8.094 2.970 1.00 0.37 C ATOM 1464 O ASP A 95 -16.165 -9.239 2.778 1.00 0.47 O ATOM 1465 CB ASP A 95 -18.896 -8.388 3.763 1.00 0.46 C ATOM 1466 CG ASP A 95 -19.129 -9.719 4.437 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -18.310 -10.636 4.244 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -20.156 -9.865 5.130 1.00 1.05 O ATOM 0 H ASP A 95 -17.539 -5.849 3.410 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.167 -8.238 5.019 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.677 -7.691 4.065 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -18.980 -8.512 2.683 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.126 -7.060 2.228 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.285 -7.290 1.078 1.00 0.29 C ATOM 1475 C LYS A 96 -13.860 -7.312 1.549 1.00 0.27 C ATOM 1476 O LYS A 96 -13.398 -6.389 2.218 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.441 -6.253 -0.054 1.00 0.30 C ATOM 1478 CG LYS A 96 -16.001 -6.836 -1.339 1.00 0.56 C ATOM 1479 CD LYS A 96 -15.005 -7.761 -2.021 1.00 0.82 C ATOM 1480 CE LYS A 96 -15.470 -8.164 -3.411 1.00 1.00 C ATOM 1481 NZ LYS A 96 -16.706 -8.986 -3.376 1.00 1.29 N ATOM 0 H LYS A 96 -16.351 -6.082 2.411 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.594 -8.239 0.640 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -16.096 -5.451 0.287 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.469 -5.805 -0.261 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -16.916 -7.386 -1.120 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -16.270 -6.027 -2.018 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -14.037 -7.265 -2.091 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -14.862 -8.654 -1.412 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -15.649 -7.268 -4.006 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -14.678 -8.724 -3.908 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -16.739 -9.600 -4.215 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -16.708 -9.573 -2.517 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -17.538 -8.362 -3.371 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.204 -8.389 1.244 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.836 -8.592 1.663 1.00 0.29 C ATOM 1497 C PHE A 97 -10.964 -9.023 0.497 1.00 0.32 C ATOM 1498 O PHE A 97 -11.363 -9.849 -0.330 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.798 -9.633 2.772 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.501 -9.689 3.530 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -9.444 -10.456 3.069 1.00 0.65 C ATOM 1502 CD2 PHE A 97 -10.345 -8.974 4.707 1.00 0.62 C ATOM 1503 CE1 PHE A 97 -8.256 -10.514 3.768 1.00 0.77 C ATOM 1504 CE2 PHE A 97 -9.158 -9.029 5.413 1.00 0.75 C ATOM 1505 CZ PHE A 97 -8.113 -9.796 4.941 1.00 0.74 C ATOM 0 H PHE A 97 -13.595 -9.157 0.698 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.440 -7.648 2.038 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.606 -9.427 3.474 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -11.994 -10.614 2.339 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -9.551 -11.015 2.151 1.00 0.65 H new ATOM 0 HD2 PHE A 97 -11.159 -8.368 5.076 1.00 0.62 H new ATOM 0 HE1 PHE A 97 -7.440 -11.118 3.400 1.00 0.77 H new ATOM 0 HE2 PHE A 97 -9.049 -8.473 6.332 1.00 0.75 H new ATOM 0 HZ PHE A 97 -7.183 -9.836 5.488 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.783 -8.440 0.445 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.775 -8.793 -0.551 1.00 0.43 C ATOM 1517 C ASP A 98 -7.421 -8.266 -0.091 1.00 0.36 C ATOM 1518 O ASP A 98 -7.361 -7.390 0.772 1.00 0.36 O ATOM 1519 CB ASP A 98 -9.133 -8.222 -1.928 1.00 0.56 C ATOM 1520 CG ASP A 98 -8.505 -9.006 -3.071 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -7.267 -8.929 -3.241 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -9.237 -9.686 -3.816 1.00 1.60 O ATOM 0 H ASP A 98 -9.489 -7.707 1.090 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.735 -9.878 -0.648 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -10.217 -8.221 -2.046 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.806 -7.184 -1.982 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.347 -8.792 -0.656 1.00 0.35 N ATOM 1528 CA CYS A 99 -5.000 -8.398 -0.256 1.00 0.30 C ATOM 1529 C CYS A 99 -4.007 -8.595 -1.396 1.00 0.32 C ATOM 1530 O CYS A 99 -4.120 -9.536 -2.185 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.555 -9.180 0.984 1.00 0.34 C ATOM 1532 SG CYS A 99 -4.910 -10.956 0.915 1.00 1.19 S ATOM 0 H CYS A 99 -6.379 -9.495 -1.395 1.00 0.35 H new ATOM 0 HA CYS A 99 -5.022 -7.337 -0.008 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -3.483 -9.041 1.121 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -5.046 -8.757 1.861 1.00 0.34 H new ATOM 0 HG CYS A 99 -4.494 -11.525 2.007 1.00 1.19 H new ATOM 1538 N SER A 100 -3.029 -7.707 -1.472 1.00 0.27 N ATOM 1539 CA SER A 100 -2.069 -7.716 -2.563 1.00 0.30 C ATOM 1540 C SER A 100 -0.634 -7.743 -2.038 1.00 0.31 C ATOM 1541 O SER A 100 -0.307 -7.073 -1.053 1.00 0.42 O ATOM 1542 CB SER A 100 -2.296 -6.487 -3.450 1.00 0.38 C ATOM 1543 OG SER A 100 -2.273 -5.293 -2.690 1.00 0.84 O ATOM 0 H SER A 100 -2.879 -6.967 -0.786 1.00 0.27 H new ATOM 0 HA SER A 100 -2.218 -8.620 -3.153 1.00 0.30 H new ATOM 0 HB2 SER A 100 -1.526 -6.445 -4.221 1.00 0.38 H new ATOM 0 HB3 SER A 100 -3.254 -6.577 -3.961 1.00 0.38 H new ATOM 0 HG SER A 100 -2.969 -4.685 -3.015 1.00 0.84 H new ATOM 1549 N ASN A 101 0.211 -8.534 -2.690 1.00 0.34 N ATOM 1550 CA ASN A 101 1.628 -8.574 -2.361 1.00 0.37 C ATOM 1551 C ASN A 101 2.456 -7.876 -3.437 1.00 0.42 C ATOM 1552 O ASN A 101 2.342 -8.177 -4.626 1.00 0.65 O ATOM 1553 CB ASN A 101 2.116 -10.019 -2.129 1.00 0.60 C ATOM 1554 CG ASN A 101 1.652 -11.039 -3.169 1.00 0.97 C ATOM 1555 OD1 ASN A 101 1.441 -12.209 -2.841 1.00 1.58 O ATOM 1556 ND2 ASN A 101 1.518 -10.631 -4.422 1.00 1.05 N ATOM 0 H ASN A 101 -0.063 -9.156 -3.450 1.00 0.34 H new ATOM 0 HA ASN A 101 1.766 -8.032 -1.425 1.00 0.37 H new ATOM 0 HB2 ASN A 101 3.206 -10.018 -2.106 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.777 -10.346 -1.146 1.00 0.60 H new ATOM 0 HD21 ASN A 101 1.233 -11.291 -5.146 1.00 1.05 H new ATOM 0 HD22 ASN A 101 1.699 -9.657 -4.663 1.00 1.05 H new ATOM 1563 N PHE A 102 3.256 -6.911 -3.017 1.00 0.31 N ATOM 1564 CA PHE A 102 4.095 -6.159 -3.932 1.00 0.38 C ATOM 1565 C PHE A 102 5.451 -5.918 -3.292 1.00 0.30 C ATOM 1566 O PHE A 102 5.563 -5.252 -2.260 1.00 0.37 O ATOM 1567 CB PHE A 102 3.421 -4.845 -4.356 1.00 0.57 C ATOM 1568 CG PHE A 102 2.510 -4.233 -3.329 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.273 -4.786 -3.054 1.00 0.59 C ATOM 1570 CD2 PHE A 102 2.901 -3.109 -2.628 1.00 0.61 C ATOM 1571 CE1 PHE A 102 0.443 -4.223 -2.107 1.00 0.74 C ATOM 1572 CE2 PHE A 102 2.078 -2.543 -1.686 1.00 0.84 C ATOM 1573 CZ PHE A 102 0.816 -3.108 -1.445 1.00 0.86 C ATOM 0 H PHE A 102 3.342 -6.629 -2.041 1.00 0.31 H new ATOM 0 HA PHE A 102 4.240 -6.741 -4.842 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.197 -4.122 -4.607 1.00 0.57 H new ATOM 0 HB3 PHE A 102 2.848 -5.026 -5.265 1.00 0.57 H new ATOM 0 HD1 PHE A 102 0.953 -5.669 -3.587 1.00 0.59 H new ATOM 0 HD2 PHE A 102 3.868 -2.669 -2.824 1.00 0.61 H new ATOM 0 HE1 PHE A 102 -0.513 -4.678 -1.894 1.00 0.74 H new ATOM 0 HE2 PHE A 102 2.399 -1.671 -1.135 1.00 0.84 H new ATOM 0 HZ PHE A 102 0.146 -2.652 -0.732 1.00 0.86 H new ATOM 1583 N ASN A 103 6.470 -6.483 -3.904 1.00 0.24 N ATOM 1584 CA ASN A 103 7.766 -6.571 -3.317 1.00 0.25 C ATOM 1585 C ASN A 103 8.639 -5.428 -3.770 1.00 0.28 C ATOM 1586 O ASN A 103 8.494 -4.904 -4.861 1.00 0.49 O ATOM 1587 CB ASN A 103 8.410 -7.889 -3.734 1.00 0.33 C ATOM 1588 CG ASN A 103 7.539 -9.096 -3.446 1.00 1.08 C ATOM 1589 OD1 ASN A 103 6.797 -9.130 -2.464 1.00 2.11 O ATOM 1590 ND2 ASN A 103 7.617 -10.094 -4.309 1.00 1.25 N ATOM 0 H ASN A 103 6.408 -6.896 -4.835 1.00 0.24 H new ATOM 0 HA ASN A 103 7.665 -6.522 -2.233 1.00 0.25 H new ATOM 0 HB2 ASN A 103 8.633 -7.856 -4.800 1.00 0.33 H new ATOM 0 HB3 ASN A 103 9.361 -8.002 -3.213 1.00 0.33 H new ATOM 0 HD21 ASN A 103 7.050 -10.931 -4.174 1.00 1.25 H new ATOM 0 HD22 ASN A 103 8.244 -10.027 -5.110 1.00 1.25 H new ATOM 1597 N LEU A 104 9.558 -5.071 -2.934 1.00 0.23 N ATOM 1598 CA LEU A 104 10.538 -4.081 -3.282 1.00 0.24 C ATOM 1599 C LEU A 104 11.908 -4.670 -3.098 1.00 0.25 C ATOM 1600 O LEU A 104 12.249 -5.131 -2.014 1.00 0.37 O ATOM 1601 CB LEU A 104 10.398 -2.802 -2.452 1.00 0.27 C ATOM 1602 CG LEU A 104 11.693 -2.074 -2.203 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.662 -0.703 -2.846 1.00 0.28 C ATOM 1604 CD2 LEU A 104 11.993 -1.989 -0.718 1.00 0.30 C ATOM 0 H LEU A 104 9.655 -5.452 -1.993 1.00 0.23 H new ATOM 0 HA LEU A 104 10.380 -3.798 -4.323 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.709 -2.128 -2.960 1.00 0.27 H new ATOM 0 HB3 LEU A 104 9.947 -3.054 -1.492 1.00 0.27 H new ATOM 0 HG LEU A 104 12.502 -2.641 -2.664 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.605 -0.191 -2.656 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.516 -0.809 -3.921 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.842 -0.122 -2.424 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.933 -1.459 -0.567 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.189 -1.453 -0.214 1.00 0.30 H new ATOM 0 HD23 LEU A 104 12.073 -2.994 -0.305 1.00 0.30 H new ATOM 1616 N THR A 105 12.674 -4.695 -4.155 1.00 0.23 N ATOM 1617 CA THR A 105 14.043 -5.123 -4.051 1.00 0.24 C ATOM 1618 C THR A 105 14.952 -3.914 -4.086 1.00 0.21 C ATOM 1619 O THR A 105 15.270 -3.390 -5.155 1.00 0.22 O ATOM 1620 CB THR A 105 14.428 -6.085 -5.179 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.361 -7.022 -5.396 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.712 -6.830 -4.832 1.00 0.32 C ATOM 0 H THR A 105 12.376 -4.426 -5.093 1.00 0.23 H new ATOM 0 HA THR A 105 14.156 -5.655 -3.106 1.00 0.24 H new ATOM 0 HB THR A 105 14.598 -5.511 -6.090 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.607 -7.636 -6.119 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.970 -7.509 -5.645 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.521 -6.114 -4.687 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.565 -7.401 -3.915 1.00 0.32 H new ATOM 1630 N VAL A 106 15.330 -3.452 -2.911 1.00 0.23 N ATOM 1631 CA VAL A 106 16.251 -2.359 -2.794 1.00 0.23 C ATOM 1632 C VAL A 106 17.657 -2.867 -3.049 1.00 0.25 C ATOM 1633 O VAL A 106 18.204 -3.711 -2.342 1.00 0.28 O ATOM 1634 CB VAL A 106 16.166 -1.626 -1.440 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.276 -2.592 -0.300 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.212 -0.526 -1.362 1.00 0.33 C ATOM 0 H VAL A 106 15.005 -3.827 -2.020 1.00 0.23 H new ATOM 0 HA VAL A 106 15.977 -1.617 -3.544 1.00 0.23 H new ATOM 0 HB VAL A 106 15.188 -1.151 -1.361 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.213 -2.050 0.644 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.463 -3.316 -0.357 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.232 -3.114 -0.356 1.00 0.31 H new ATOM 0 HG21 VAL A 106 17.137 -0.020 -0.400 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.206 -0.961 -1.466 1.00 0.33 H new ATOM 0 HG23 VAL A 106 17.044 0.193 -2.164 1.00 0.33 H new ATOM 1646 N HIS A 107 18.187 -2.339 -4.098 1.00 0.26 N ATOM 1647 CA HIS A 107 19.475 -2.699 -4.621 1.00 0.31 C ATOM 1648 C HIS A 107 20.511 -1.859 -3.938 1.00 0.34 C ATOM 1649 O HIS A 107 20.654 -0.668 -4.215 1.00 0.36 O ATOM 1650 CB HIS A 107 19.547 -2.489 -6.137 1.00 0.36 C ATOM 1651 CG HIS A 107 18.691 -3.418 -6.947 1.00 0.43 C ATOM 1652 ND1 HIS A 107 18.494 -3.258 -8.303 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.992 -4.526 -6.599 1.00 0.70 C ATOM 1654 CE1 HIS A 107 17.716 -4.220 -8.755 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.398 -5.004 -7.746 1.00 0.53 N ATOM 0 H HIS A 107 17.721 -1.613 -4.643 1.00 0.26 H new ATOM 0 HA HIS A 107 19.652 -3.758 -4.432 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.256 -1.463 -6.361 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.583 -2.603 -6.456 1.00 0.36 H new ATOM 0 HD2 HIS A 107 17.915 -4.953 -5.610 1.00 0.70 H new ATOM 0 HE1 HIS A 107 17.394 -4.344 -9.778 1.00 1.10 H new ATOM 0 HE2 HIS A 107 16.806 -5.833 -7.804 1.00 0.53 H new ATOM 1664 N GLU A 108 21.165 -2.479 -3.002 1.00 0.45 N ATOM 1665 CA GLU A 108 22.216 -1.844 -2.226 1.00 0.56 C ATOM 1666 C GLU A 108 23.260 -1.193 -3.134 1.00 0.71 C ATOM 1667 O GLU A 108 23.485 0.015 -3.062 1.00 1.33 O ATOM 1668 CB GLU A 108 22.875 -2.857 -1.298 1.00 0.71 C ATOM 1669 CG GLU A 108 23.783 -2.218 -0.262 1.00 0.87 C ATOM 1670 CD GLU A 108 24.442 -3.241 0.635 1.00 1.20 C ATOM 1671 OE1 GLU A 108 23.807 -3.664 1.626 1.00 1.66 O ATOM 1672 OE2 GLU A 108 25.599 -3.617 0.365 1.00 1.67 O ATOM 0 H GLU A 108 20.991 -3.450 -2.744 1.00 0.45 H new ATOM 0 HA GLU A 108 21.761 -1.058 -1.623 1.00 0.56 H new ATOM 0 HB2 GLU A 108 22.101 -3.431 -0.789 1.00 0.71 H new ATOM 0 HB3 GLU A 108 23.454 -3.562 -1.894 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.551 -1.633 -0.767 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.203 -1.524 0.347 1.00 0.87 H new