USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=27 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 89 CYS SG : rot -81:sc= 0.0872 USER MOD Set 1.2: A 100 SER OG : rot 140:sc= -3.65! USER MOD Set 2.1: A 43 LYS NZ :NH3+ -175:sc= -0.815! (180deg=-2.17!) USER MOD Set 2.2: A 87 TYR OH : rot 100:sc= -0.284 USER MOD Single : A 9 MET CE :methyl -168:sc= -0.0118 (180deg=-0.257) USER MOD Single : A 12 GLN : amide:sc= -1.66 K(o=-1.7,f=-0.5) 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+ 173:sc= 0 (180deg=-0.0498) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 98:sc= 1.23 USER MOD Single : A 52 LYS NZ :NH3+ 170:sc=-0.000577 (180deg=-0.0974) USER MOD Single : A 55 GLN : amide:sc= -1.45! C(o=-1.4!,f=-3.8!) USER MOD Single : A 56 HIS : no HD1:sc= -0.185 X(o=-0.18,f=-0.22) USER MOD Single : A 58 GLN : amide:sc= -2.57 X(o=-2.6,f=-2.5!) USER MOD Single : A 60 HIS : no HD1:sc= -0.712 X(o=-0.71,f=-0.78) USER MOD Single : A 62 SER OG : rot 54:sc= 0.423 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0786 USER MOD Single : A 68 LYS NZ :NH3+ -154:sc= 0.346 (180deg=0.0953) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0.576 K(o=0.58,f=-5.5!) USER MOD Single : A 77 THR OG1 : rot 97:sc= 0.497 USER MOD Single : A 80 GLN : amide:sc= -0.705 K(o=-0.71,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00586 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -44:sc= -3.45! USER MOD Single : A 94 LYS NZ :NH3+ -125:sc= -6.55! (180deg=-11.2!) USER MOD Single : A 96 LYS NZ :NH3+ -103:sc= -0.916 (180deg=-3.21!) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.575 K(o=0.58,f=-0.19) USER MOD Single : A 103 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0.74 K(o=0.74,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -19.570 -9.116 -0.540 1.00 0.70 N ATOM 14 CA ASP A 2 -20.663 -8.617 -1.349 1.00 0.72 C ATOM 15 C ASP A 2 -20.081 -7.804 -2.510 1.00 0.70 C ATOM 16 O ASP A 2 -18.961 -7.310 -2.387 1.00 0.75 O ATOM 17 CB ASP A 2 -21.538 -7.771 -0.420 1.00 0.79 C ATOM 18 CG ASP A 2 -22.495 -6.823 -1.113 1.00 1.04 C ATOM 19 OD1 ASP A 2 -23.529 -7.305 -1.609 1.00 1.11 O ATOM 20 OD2 ASP A 2 -22.199 -5.614 -1.202 1.00 1.65 O ATOM 0 HA ASP A 2 -21.268 -9.411 -1.787 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -22.115 -8.441 0.217 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -20.888 -7.190 0.234 1.00 0.79 H new ATOM 25 N PRO A 3 -20.789 -7.725 -3.659 1.00 0.71 N ATOM 26 CA PRO A 3 -20.364 -6.963 -4.849 1.00 0.72 C ATOM 27 C PRO A 3 -19.868 -5.549 -4.537 1.00 0.66 C ATOM 28 O PRO A 3 -20.645 -4.600 -4.425 1.00 0.97 O ATOM 29 CB PRO A 3 -21.624 -6.905 -5.730 1.00 0.84 C ATOM 30 CG PRO A 3 -22.718 -7.507 -4.911 1.00 0.94 C ATOM 31 CD PRO A 3 -22.049 -8.413 -3.918 1.00 0.81 C ATOM 0 HA PRO A 3 -19.512 -7.448 -5.325 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -21.862 -5.878 -6.006 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -21.479 -7.459 -6.657 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -23.296 -6.734 -4.405 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -23.413 -8.064 -5.539 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -22.642 -8.528 -3.011 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -21.890 -9.412 -4.324 1.00 0.81 H new ATOM 39 N ILE A 4 -18.558 -5.439 -4.375 1.00 0.45 N ATOM 40 CA ILE A 4 -17.888 -4.165 -4.158 1.00 0.41 C ATOM 41 C ILE A 4 -16.834 -3.971 -5.226 1.00 0.41 C ATOM 42 O ILE A 4 -16.923 -3.074 -6.063 1.00 0.50 O ATOM 43 CB ILE A 4 -17.211 -4.108 -2.758 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.192 -3.630 -1.688 1.00 0.42 C ATOM 45 CG2 ILE A 4 -15.991 -3.197 -2.742 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.309 -4.584 -1.418 1.00 0.46 C ATOM 0 H ILE A 4 -17.924 -6.238 -4.391 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.636 -3.374 -4.208 1.00 0.41 H new ATOM 0 HB ILE A 4 -16.890 -5.126 -2.538 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.646 -3.455 -0.761 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.612 -2.673 -1.996 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.554 -3.191 -1.743 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.255 -3.562 -3.458 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.289 -2.184 -3.013 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -19.961 -4.172 -0.647 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.882 -4.741 -2.332 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.901 -5.535 -1.077 1.00 0.46 H new ATOM 58 N GLY A 5 -15.838 -4.838 -5.185 1.00 0.36 N ATOM 59 CA GLY A 5 -14.706 -4.687 -6.067 1.00 0.39 C ATOM 60 C GLY A 5 -13.687 -3.842 -5.375 1.00 0.33 C ATOM 61 O GLY A 5 -13.147 -2.885 -5.925 1.00 0.33 O ATOM 0 H GLY A 5 -15.794 -5.641 -4.558 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.286 -5.661 -6.317 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -15.013 -4.222 -7.004 1.00 0.39 H new ATOM 65 N LEU A 6 -13.458 -4.230 -4.138 1.00 0.32 N ATOM 66 CA LEU A 6 -12.732 -3.450 -3.170 1.00 0.29 C ATOM 67 C LEU A 6 -11.345 -3.144 -3.677 1.00 0.29 C ATOM 68 O LEU A 6 -10.856 -2.025 -3.553 1.00 0.33 O ATOM 69 CB LEU A 6 -12.703 -4.260 -1.882 1.00 0.29 C ATOM 70 CG LEU A 6 -12.541 -3.486 -0.586 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.464 -2.277 -0.527 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.818 -4.416 0.565 1.00 0.28 C ATOM 0 H LEU A 6 -13.784 -5.125 -3.772 1.00 0.32 H new ATOM 0 HA LEU A 6 -13.212 -2.488 -2.991 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.628 -4.833 -1.821 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.887 -4.979 -1.952 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.521 -3.107 -0.529 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.316 -1.752 0.417 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.238 -1.606 -1.355 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.500 -2.607 -0.600 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.706 -3.875 1.505 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.835 -4.800 0.486 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -12.114 -5.247 0.539 1.00 0.28 H new ATOM 84 N PHE A 7 -10.731 -4.133 -4.283 1.00 0.30 N ATOM 85 CA PHE A 7 -9.457 -3.930 -4.903 1.00 0.32 C ATOM 86 C PHE A 7 -9.649 -3.538 -6.348 1.00 0.29 C ATOM 87 O PHE A 7 -9.672 -4.376 -7.253 1.00 0.32 O ATOM 88 CB PHE A 7 -8.590 -5.163 -4.789 1.00 0.41 C ATOM 89 CG PHE A 7 -7.281 -4.879 -4.125 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.205 -4.695 -2.753 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.129 -4.796 -4.874 1.00 0.64 C ATOM 92 CE1 PHE A 7 -5.995 -4.441 -2.144 1.00 0.67 C ATOM 93 CE2 PHE A 7 -4.922 -4.538 -4.272 1.00 0.72 C ATOM 94 CZ PHE A 7 -4.853 -4.362 -2.906 1.00 0.61 C ATOM 0 H PHE A 7 -11.098 -5.082 -4.356 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.943 -3.122 -4.383 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.123 -5.928 -4.224 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.409 -5.570 -5.784 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.103 -4.751 -2.155 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.175 -4.935 -5.944 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -5.944 -4.305 -1.074 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.025 -4.473 -4.870 1.00 0.72 H new ATOM 0 HZ PHE A 7 -3.902 -4.162 -2.435 1.00 0.61 H new ATOM 104 N VAL A 8 -9.836 -2.250 -6.527 1.00 0.28 N ATOM 105 CA VAL A 8 -10.041 -1.661 -7.834 1.00 0.34 C ATOM 106 C VAL A 8 -8.815 -1.890 -8.709 1.00 0.44 C ATOM 107 O VAL A 8 -8.926 -2.198 -9.895 1.00 0.63 O ATOM 108 CB VAL A 8 -10.330 -0.152 -7.698 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.648 0.471 -9.048 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.468 0.080 -6.708 1.00 0.33 C ATOM 0 H VAL A 8 -9.850 -1.574 -5.763 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.900 -2.138 -8.305 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.433 0.335 -7.315 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -10.847 1.535 -8.920 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.799 0.339 -9.719 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.526 -0.014 -9.475 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.662 1.149 -6.621 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.367 -0.424 -7.062 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.189 -0.319 -5.733 1.00 0.33 H new ATOM 120 N MET A 9 -7.645 -1.762 -8.101 1.00 0.43 N ATOM 121 CA MET A 9 -6.390 -2.025 -8.782 1.00 0.65 C ATOM 122 C MET A 9 -5.328 -2.440 -7.781 1.00 0.44 C ATOM 123 O MET A 9 -5.185 -1.819 -6.725 1.00 0.44 O ATOM 124 CB MET A 9 -5.906 -0.800 -9.541 1.00 1.05 C ATOM 125 CG MET A 9 -4.604 -1.041 -10.282 1.00 1.45 C ATOM 126 SD MET A 9 -3.960 0.440 -11.086 1.00 2.35 S ATOM 127 CE MET A 9 -5.198 0.699 -12.354 1.00 2.88 C ATOM 0 H MET A 9 -7.541 -1.475 -7.128 1.00 0.43 H new ATOM 0 HA MET A 9 -6.564 -2.832 -9.494 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.672 -0.494 -10.253 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.773 0.025 -8.842 1.00 1.05 H new ATOM 0 HG2 MET A 9 -3.859 -1.419 -9.582 1.00 1.45 H new ATOM 0 HG3 MET A 9 -4.759 -1.816 -11.033 1.00 1.45 H new ATOM 0 HE1 MET A 9 -4.839 1.442 -13.066 1.00 2.88 H new ATOM 0 HE2 MET A 9 -5.388 -0.240 -12.874 1.00 2.88 H new ATOM 0 HE3 MET A 9 -6.121 1.053 -11.895 1.00 2.88 H new ATOM 137 N ARG A 10 -4.593 -3.484 -8.115 1.00 0.47 N ATOM 138 CA ARG A 10 -3.482 -3.918 -7.314 1.00 0.41 C ATOM 139 C ARG A 10 -2.240 -3.238 -7.836 1.00 0.39 C ATOM 140 O ARG A 10 -2.063 -3.092 -9.043 1.00 0.45 O ATOM 141 CB ARG A 10 -3.309 -5.437 -7.357 1.00 0.46 C ATOM 142 CG ARG A 10 -4.611 -6.208 -7.502 1.00 0.97 C ATOM 143 CD ARG A 10 -4.515 -7.583 -6.867 1.00 1.34 C ATOM 144 NE ARG A 10 -3.350 -8.336 -7.331 1.00 2.11 N ATOM 145 CZ ARG A 10 -3.311 -9.668 -7.397 1.00 2.72 C ATOM 146 NH1 ARG A 10 -4.412 -10.374 -7.172 1.00 2.74 N ATOM 147 NH2 ARG A 10 -2.185 -10.290 -7.726 1.00 3.67 N ATOM 0 H ARG A 10 -4.755 -4.049 -8.949 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.664 -3.649 -6.273 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.653 -5.693 -8.189 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -2.808 -5.760 -6.445 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -5.421 -5.647 -7.037 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -4.859 -6.310 -8.558 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -4.466 -7.476 -5.783 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -5.420 -8.147 -7.091 1.00 1.34 H new ATOM 0 HE ARG A 10 -2.522 -7.814 -7.620 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -5.286 -9.898 -6.949 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -4.384 -11.392 -7.222 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -1.344 -9.749 -7.930 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -2.161 -11.309 -7.775 1.00 3.67 H new ATOM 161 N PRO A 11 -1.382 -2.799 -6.940 1.00 0.43 N ATOM 162 CA PRO A 11 -0.186 -2.032 -7.291 1.00 0.50 C ATOM 163 C PRO A 11 0.961 -2.897 -7.818 1.00 0.47 C ATOM 164 O PRO A 11 0.769 -4.057 -8.186 1.00 0.54 O ATOM 165 CB PRO A 11 0.180 -1.447 -5.951 1.00 0.62 C ATOM 166 CG PRO A 11 -0.166 -2.545 -5.009 1.00 0.64 C ATOM 167 CD PRO A 11 -1.498 -2.999 -5.482 1.00 0.53 C ATOM 0 HA PRO A 11 -0.365 -1.315 -8.093 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.237 -1.186 -5.898 1.00 0.62 H new ATOM 0 HB3 PRO A 11 -0.383 -0.538 -5.738 1.00 0.62 H new ATOM 0 HG2 PRO A 11 0.568 -3.350 -5.043 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -0.205 -2.193 -3.978 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -1.690 -4.041 -5.226 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.308 -2.410 -5.051 1.00 0.53 H new ATOM 175 N GLN A 12 2.161 -2.319 -7.835 1.00 0.44 N ATOM 176 CA GLN A 12 3.335 -2.985 -8.359 1.00 0.43 C ATOM 177 C GLN A 12 4.477 -2.971 -7.353 1.00 0.37 C ATOM 178 O GLN A 12 4.823 -1.917 -6.833 1.00 0.40 O ATOM 179 CB GLN A 12 3.789 -2.288 -9.628 1.00 0.55 C ATOM 180 CG GLN A 12 2.819 -2.432 -10.794 1.00 0.73 C ATOM 181 CD GLN A 12 2.451 -3.879 -11.096 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.366 -4.163 -11.607 1.00 1.43 O ATOM 183 NE2 GLN A 12 3.338 -4.808 -10.763 1.00 1.32 N ATOM 0 H GLN A 12 2.339 -1.378 -7.485 1.00 0.44 H new ATOM 0 HA GLN A 12 3.069 -4.021 -8.567 1.00 0.43 H new ATOM 0 HB2 GLN A 12 3.933 -1.228 -9.417 1.00 0.55 H new ATOM 0 HB3 GLN A 12 4.759 -2.689 -9.924 1.00 0.55 H new ATOM 0 HG2 GLN A 12 1.910 -1.872 -10.573 1.00 0.73 H new ATOM 0 HG3 GLN A 12 3.262 -1.984 -11.683 1.00 0.73 H new ATOM 0 HE21 GLN A 12 4.227 -4.537 -10.342 1.00 1.32 H new ATOM 0 HE22 GLN A 12 3.131 -5.793 -10.928 1.00 1.32 H new ATOM 192 N ASP A 13 5.071 -4.146 -7.148 1.00 0.34 N ATOM 193 CA ASP A 13 6.131 -4.402 -6.193 1.00 0.33 C ATOM 194 C ASP A 13 7.214 -3.317 -6.189 1.00 0.36 C ATOM 195 O ASP A 13 7.082 -2.286 -5.533 1.00 0.50 O ATOM 196 CB ASP A 13 6.696 -5.762 -6.594 1.00 0.35 C ATOM 197 CG ASP A 13 5.613 -6.816 -6.735 1.00 1.04 C ATOM 198 OD1 ASP A 13 5.249 -7.444 -5.723 1.00 2.06 O ATOM 199 OD2 ASP A 13 5.123 -7.012 -7.868 1.00 1.03 O ATOM 0 H ASP A 13 4.808 -4.981 -7.672 1.00 0.34 H new ATOM 0 HA ASP A 13 5.748 -4.395 -5.173 1.00 0.33 H new ATOM 0 HB2 ASP A 13 7.232 -5.666 -7.538 1.00 0.35 H new ATOM 0 HB3 ASP A 13 7.421 -6.086 -5.847 1.00 0.35 H new ATOM 204 N GLY A 14 8.302 -3.584 -6.867 1.00 0.30 N ATOM 205 CA GLY A 14 9.289 -2.582 -7.118 1.00 0.30 C ATOM 206 C GLY A 14 10.675 -3.154 -7.115 1.00 0.25 C ATOM 207 O GLY A 14 10.973 -4.113 -6.421 1.00 0.28 O ATOM 0 H GLY A 14 8.522 -4.501 -7.256 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.092 -2.111 -8.081 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.216 -1.802 -6.360 1.00 0.30 H new ATOM 211 N GLU A 15 11.497 -2.597 -7.943 1.00 0.26 N ATOM 212 CA GLU A 15 12.924 -2.877 -7.924 1.00 0.25 C ATOM 213 C GLU A 15 13.703 -1.578 -8.052 1.00 0.23 C ATOM 214 O GLU A 15 13.663 -0.920 -9.092 1.00 0.30 O ATOM 215 CB GLU A 15 13.317 -3.864 -9.023 1.00 0.33 C ATOM 216 CG GLU A 15 14.817 -4.084 -9.108 1.00 0.69 C ATOM 217 CD GLU A 15 15.197 -5.399 -9.752 1.00 1.11 C ATOM 218 OE1 GLU A 15 15.207 -5.486 -10.997 1.00 1.53 O ATOM 219 OE2 GLU A 15 15.532 -6.340 -9.005 1.00 1.48 O ATOM 0 H GLU A 15 11.212 -1.930 -8.660 1.00 0.26 H new ATOM 0 HA GLU A 15 13.171 -3.345 -6.971 1.00 0.25 H new ATOM 0 HB2 GLU A 15 12.824 -4.819 -8.840 1.00 0.33 H new ATOM 0 HB3 GLU A 15 12.953 -3.496 -9.982 1.00 0.33 H new ATOM 0 HG2 GLU A 15 15.265 -3.268 -9.675 1.00 0.69 H new ATOM 0 HG3 GLU A 15 15.240 -4.044 -8.104 1.00 0.69 H new ATOM 226 N VAL A 16 14.395 -1.201 -6.981 1.00 0.20 N ATOM 227 CA VAL A 16 15.035 0.052 -6.886 1.00 0.21 C ATOM 228 C VAL A 16 16.377 -0.157 -6.243 1.00 0.22 C ATOM 229 O VAL A 16 16.659 -1.205 -5.687 1.00 0.27 O ATOM 230 CB VAL A 16 14.223 1.042 -6.038 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.786 1.115 -6.529 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.283 0.689 -4.553 1.00 0.23 C ATOM 0 H VAL A 16 14.513 -1.788 -6.155 1.00 0.20 H new ATOM 0 HA VAL A 16 15.133 0.472 -7.887 1.00 0.21 H new ATOM 0 HB VAL A 16 14.672 2.028 -6.154 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.227 1.822 -5.915 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.773 1.446 -7.567 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.326 0.129 -6.457 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.697 1.411 -3.984 1.00 0.23 H new ATOM 0 HG22 VAL A 16 13.876 -0.310 -4.400 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.319 0.714 -4.215 1.00 0.23 H new ATOM 242 N THR A 17 17.183 0.830 -6.345 1.00 0.23 N ATOM 243 CA THR A 17 18.503 0.819 -5.750 1.00 0.27 C ATOM 244 C THR A 17 18.450 1.517 -4.390 1.00 0.28 C ATOM 245 O THR A 17 17.542 2.316 -4.133 1.00 0.28 O ATOM 246 CB THR A 17 19.506 1.551 -6.650 1.00 0.35 C ATOM 247 OG1 THR A 17 19.056 1.504 -8.014 1.00 0.77 O ATOM 248 CG2 THR A 17 20.885 0.927 -6.554 1.00 0.56 C ATOM 0 H THR A 17 16.961 1.690 -6.847 1.00 0.23 H new ATOM 0 HA THR A 17 18.824 -0.216 -5.631 1.00 0.27 H new ATOM 0 HB THR A 17 19.571 2.586 -6.314 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.698 1.974 -8.587 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.575 1.467 -7.203 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.238 0.981 -5.524 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.835 -0.116 -6.866 1.00 0.56 H new ATOM 256 N VAL A 18 19.402 1.211 -3.521 1.00 0.31 N ATOM 257 CA VAL A 18 19.489 1.867 -2.237 1.00 0.35 C ATOM 258 C VAL A 18 19.787 3.318 -2.435 1.00 0.36 C ATOM 259 O VAL A 18 20.886 3.732 -2.812 1.00 0.39 O ATOM 260 CB VAL A 18 20.572 1.305 -1.313 1.00 0.44 C ATOM 261 CG1 VAL A 18 20.573 2.040 0.021 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.395 -0.178 -1.085 1.00 0.78 C ATOM 0 H VAL A 18 20.124 0.510 -3.688 1.00 0.31 H new ATOM 0 HA VAL A 18 18.523 1.696 -1.761 1.00 0.35 H new ATOM 0 HB VAL A 18 21.532 1.459 -1.806 1.00 0.44 H new ATOM 0 HG11 VAL A 18 21.350 1.626 0.664 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.768 3.099 -0.147 1.00 0.76 H new ATOM 0 HG13 VAL A 18 19.602 1.922 0.502 1.00 0.76 H new ATOM 0 HG21 VAL A 18 21.182 -0.541 -0.424 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.423 -0.362 -0.627 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.452 -0.702 -2.039 1.00 0.78 H new ATOM 272 N GLY A 19 18.774 4.051 -2.201 1.00 0.38 N ATOM 273 CA GLY A 19 18.874 5.484 -2.156 1.00 0.45 C ATOM 274 C GLY A 19 18.127 6.175 -3.267 1.00 0.40 C ATOM 275 O GLY A 19 18.301 7.375 -3.464 1.00 0.48 O ATOM 0 H GLY A 19 17.836 3.689 -2.031 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.492 5.837 -1.198 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.925 5.768 -2.204 1.00 0.45 H new ATOM 279 N GLY A 20 17.302 5.450 -4.015 1.00 0.32 N ATOM 280 CA GLY A 20 16.495 6.114 -4.977 1.00 0.32 C ATOM 281 C GLY A 20 15.164 6.422 -4.411 1.00 0.30 C ATOM 282 O GLY A 20 15.022 7.109 -3.405 1.00 0.44 O ATOM 0 H GLY A 20 17.190 4.437 -3.963 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.983 7.035 -5.297 1.00 0.32 H new ATOM 0 HA3 GLY A 20 16.384 5.488 -5.862 1.00 0.32 H new ATOM 286 N SER A 21 14.211 5.909 -5.086 1.00 0.24 N ATOM 287 CA SER A 21 12.856 6.013 -4.729 1.00 0.22 C ATOM 288 C SER A 21 12.090 4.815 -5.229 1.00 0.22 C ATOM 289 O SER A 21 12.559 4.052 -6.066 1.00 0.25 O ATOM 290 CB SER A 21 12.293 7.276 -5.310 1.00 0.30 C ATOM 291 OG SER A 21 12.711 7.466 -6.653 1.00 0.82 O ATOM 0 H SER A 21 14.364 5.380 -5.944 1.00 0.24 H new ATOM 0 HA SER A 21 12.766 6.043 -3.643 1.00 0.22 H new ATOM 0 HB2 SER A 21 11.204 7.242 -5.269 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.609 8.127 -4.706 1.00 0.30 H new ATOM 0 HG SER A 21 12.325 8.297 -7.001 1.00 0.82 H new ATOM 297 N ILE A 22 10.923 4.683 -4.689 1.00 0.22 N ATOM 298 CA ILE A 22 9.952 3.732 -5.087 1.00 0.24 C ATOM 299 C ILE A 22 8.600 4.361 -4.848 1.00 0.25 C ATOM 300 O ILE A 22 8.426 5.241 -4.013 1.00 0.27 O ATOM 301 CB ILE A 22 10.099 2.391 -4.367 1.00 0.25 C ATOM 302 CG1 ILE A 22 9.073 1.385 -4.873 1.00 0.29 C ATOM 303 CG2 ILE A 22 10.026 2.534 -2.858 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.238 1.015 -6.330 1.00 0.32 C ATOM 0 H ILE A 22 10.610 5.271 -3.916 1.00 0.22 H new ATOM 0 HA ILE A 22 10.083 3.488 -6.141 1.00 0.24 H new ATOM 0 HB ILE A 22 11.094 2.013 -4.600 1.00 0.25 H new ATOM 0 HG12 ILE A 22 9.139 0.480 -4.270 1.00 0.29 H new ATOM 0 HG13 ILE A 22 8.074 1.795 -4.724 1.00 0.29 H new ATOM 0 HG21 ILE A 22 10.136 1.554 -2.394 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.827 3.189 -2.515 1.00 0.29 H new ATOM 0 HG23 ILE A 22 9.063 2.962 -2.579 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.470 0.295 -6.612 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.141 1.909 -6.946 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.223 0.574 -6.484 1.00 0.32 H new ATOM 316 N THR A 23 7.691 3.971 -5.633 1.00 0.25 N ATOM 317 CA THR A 23 6.368 4.564 -5.606 1.00 0.23 C ATOM 318 C THR A 23 5.305 3.500 -5.748 1.00 0.24 C ATOM 319 O THR A 23 5.382 2.620 -6.605 1.00 0.28 O ATOM 320 CB THR A 23 6.172 5.644 -6.683 1.00 0.26 C ATOM 321 OG1 THR A 23 7.272 6.565 -6.656 1.00 0.31 O ATOM 322 CG2 THR A 23 4.869 6.410 -6.449 1.00 0.24 C ATOM 0 H THR A 23 7.811 3.232 -6.326 1.00 0.25 H new ATOM 0 HA THR A 23 6.271 5.054 -4.637 1.00 0.23 H new ATOM 0 HB THR A 23 6.125 5.153 -7.655 1.00 0.26 H new ATOM 0 HG1 THR A 23 7.142 7.250 -7.345 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.749 7.169 -7.222 1.00 0.24 H new ATOM 0 HG22 THR A 23 4.028 5.718 -6.487 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.900 6.890 -5.471 1.00 0.24 H new ATOM 330 N PHE A 24 4.332 3.598 -4.887 1.00 0.24 N ATOM 331 CA PHE A 24 3.275 2.638 -4.794 1.00 0.27 C ATOM 332 C PHE A 24 1.928 3.342 -4.842 1.00 0.24 C ATOM 333 O PHE A 24 1.746 4.388 -4.236 1.00 0.30 O ATOM 334 CB PHE A 24 3.401 1.898 -3.474 1.00 0.40 C ATOM 335 CG PHE A 24 4.799 1.460 -3.124 1.00 0.33 C ATOM 336 CD1 PHE A 24 5.333 0.302 -3.660 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.587 2.215 -2.279 1.00 0.43 C ATOM 338 CE1 PHE A 24 6.621 -0.081 -3.360 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.870 1.837 -1.975 1.00 0.51 C ATOM 340 CZ PHE A 24 7.347 0.618 -2.441 1.00 0.49 C ATOM 0 H PHE A 24 4.252 4.364 -4.218 1.00 0.24 H new ATOM 0 HA PHE A 24 3.344 1.940 -5.628 1.00 0.27 H new ATOM 0 HB2 PHE A 24 3.027 2.540 -2.677 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.757 1.019 -3.504 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.734 -0.308 -4.320 1.00 0.46 H new ATOM 0 HD2 PHE A 24 5.186 3.121 -1.849 1.00 0.43 H new ATOM 0 HE1 PHE A 24 7.057 -0.937 -3.853 1.00 0.53 H new ATOM 0 HE2 PHE A 24 7.502 2.480 -1.380 1.00 0.51 H new ATOM 0 HZ PHE A 24 8.286 0.227 -2.078 1.00 0.49 H new ATOM 350 N SER A 25 1.004 2.778 -5.576 1.00 0.28 N ATOM 351 CA SER A 25 -0.359 3.249 -5.590 1.00 0.28 C ATOM 352 C SER A 25 -1.340 2.093 -5.641 1.00 0.27 C ATOM 353 O SER A 25 -1.298 1.242 -6.527 1.00 0.31 O ATOM 354 CB SER A 25 -0.593 4.212 -6.740 1.00 0.35 C ATOM 355 OG SER A 25 0.236 3.916 -7.854 1.00 0.58 O ATOM 0 H SER A 25 1.175 1.976 -6.183 1.00 0.28 H new ATOM 0 HA SER A 25 -0.531 3.790 -4.659 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.639 4.168 -7.044 1.00 0.35 H new ATOM 0 HB3 SER A 25 -0.401 5.231 -6.405 1.00 0.35 H new ATOM 0 HG SER A 25 0.056 4.555 -8.575 1.00 0.58 H new ATOM 361 N ALA A 26 -2.214 2.096 -4.674 1.00 0.26 N ATOM 362 CA ALA A 26 -3.222 1.061 -4.513 1.00 0.26 C ATOM 363 C ALA A 26 -4.616 1.676 -4.508 1.00 0.22 C ATOM 364 O ALA A 26 -4.883 2.631 -3.775 1.00 0.25 O ATOM 365 CB ALA A 26 -2.981 0.279 -3.232 1.00 0.32 C ATOM 0 H ALA A 26 -2.255 2.824 -3.960 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.150 0.373 -5.355 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.745 -0.492 -3.127 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -1.997 -0.188 -3.271 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -3.028 0.955 -2.378 1.00 0.32 H new ATOM 371 N ARG A 27 -5.499 1.136 -5.328 1.00 0.22 N ATOM 372 CA ARG A 27 -6.832 1.712 -5.490 1.00 0.25 C ATOM 373 C ARG A 27 -7.901 0.854 -4.824 1.00 0.23 C ATOM 374 O ARG A 27 -8.016 -0.337 -5.117 1.00 0.31 O ATOM 375 CB ARG A 27 -7.136 1.866 -6.974 1.00 0.36 C ATOM 376 CG ARG A 27 -6.087 2.676 -7.704 1.00 0.28 C ATOM 377 CD ARG A 27 -6.325 2.667 -9.202 1.00 0.46 C ATOM 378 NE ARG A 27 -5.302 3.426 -9.925 1.00 1.22 N ATOM 379 CZ ARG A 27 -5.544 4.182 -10.995 1.00 1.55 C ATOM 380 NH1 ARG A 27 -6.783 4.322 -11.454 1.00 1.46 N ATOM 381 NH2 ARG A 27 -4.540 4.803 -11.603 1.00 2.43 N ATOM 0 H ARG A 27 -5.324 0.304 -5.892 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.845 2.687 -5.004 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.209 0.879 -7.430 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.108 2.345 -7.094 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.098 3.703 -7.338 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.098 2.272 -7.489 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -6.334 1.638 -9.561 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -7.307 3.088 -9.415 1.00 0.46 H new ATOM 0 HE ARG A 27 -4.341 3.372 -9.587 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -7.556 3.849 -10.987 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -6.961 4.902 -12.274 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -3.588 4.700 -11.251 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -4.720 5.383 -12.423 1.00 2.43 H new ATOM 395 N VAL A 28 -8.703 1.471 -3.954 1.00 0.19 N ATOM 396 CA VAL A 28 -9.727 0.765 -3.223 1.00 0.20 C ATOM 397 C VAL A 28 -11.055 1.468 -3.378 1.00 0.23 C ATOM 398 O VAL A 28 -11.167 2.683 -3.238 1.00 0.24 O ATOM 399 CB VAL A 28 -9.418 0.639 -1.723 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.419 -0.297 -1.049 1.00 0.26 C ATOM 401 CG2 VAL A 28 -7.992 0.164 -1.524 1.00 0.23 C ATOM 0 H VAL A 28 -8.652 2.468 -3.746 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.764 -0.239 -3.645 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.515 1.618 -1.255 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.186 -0.375 0.013 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.427 0.099 -1.171 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.359 -1.284 -1.507 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.783 0.078 -0.458 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.863 -0.809 -1.999 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.304 0.881 -1.972 1.00 0.23 H new ATOM 411 N ALA A 29 -12.030 0.673 -3.690 1.00 0.29 N ATOM 412 CA ALA A 29 -13.391 1.107 -3.875 1.00 0.32 C ATOM 413 C ALA A 29 -13.992 1.611 -2.580 1.00 0.34 C ATOM 414 O ALA A 29 -14.095 0.881 -1.595 1.00 0.40 O ATOM 415 CB ALA A 29 -14.233 -0.032 -4.421 1.00 0.38 C ATOM 0 H ALA A 29 -11.903 -0.329 -3.829 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.383 1.930 -4.590 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.260 0.307 -4.557 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.828 -0.357 -5.380 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.216 -0.866 -3.719 1.00 0.38 H new ATOM 421 N GLY A 30 -14.353 2.877 -2.600 1.00 0.35 N ATOM 422 CA GLY A 30 -15.171 3.452 -1.541 1.00 0.42 C ATOM 423 C GLY A 30 -16.449 2.660 -1.356 1.00 0.50 C ATOM 424 O GLY A 30 -16.985 2.576 -0.259 1.00 0.76 O ATOM 0 H GLY A 30 -14.095 3.533 -3.338 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.608 3.465 -0.608 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -15.412 4.487 -1.783 1.00 0.42 H new ATOM 428 N ALA A 31 -16.948 2.132 -2.473 1.00 0.49 N ATOM 429 CA ALA A 31 -17.931 1.054 -2.480 1.00 0.55 C ATOM 430 C ALA A 31 -19.243 1.380 -1.766 1.00 0.64 C ATOM 431 O ALA A 31 -19.594 2.543 -1.540 1.00 0.71 O ATOM 432 CB ALA A 31 -17.297 -0.168 -1.846 1.00 0.58 C ATOM 0 H ALA A 31 -16.678 2.444 -3.406 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.205 0.883 -3.521 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -18.015 -0.988 -1.840 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -16.417 -0.460 -2.419 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.003 0.064 -0.822 1.00 0.58 H new ATOM 438 N SER A 32 -19.986 0.315 -1.488 1.00 0.85 N ATOM 439 CA SER A 32 -21.159 0.367 -0.641 1.00 0.96 C ATOM 440 C SER A 32 -20.850 -0.437 0.618 1.00 1.01 C ATOM 441 O SER A 32 -20.568 -1.637 0.547 1.00 1.69 O ATOM 442 CB SER A 32 -22.369 -0.209 -1.379 1.00 1.19 C ATOM 443 OG SER A 32 -23.574 0.073 -0.689 1.00 1.74 O ATOM 0 H SER A 32 -19.784 -0.616 -1.851 1.00 0.85 H new ATOM 0 HA SER A 32 -21.402 1.396 -0.376 1.00 0.96 H new ATOM 0 HB2 SER A 32 -22.417 0.208 -2.385 1.00 1.19 H new ATOM 0 HB3 SER A 32 -22.253 -1.287 -1.487 1.00 1.19 H new ATOM 0 HG SER A 32 -24.331 -0.305 -1.184 1.00 1.74 H new ATOM 449 N LEU A 33 -20.874 0.221 1.767 1.00 0.96 N ATOM 450 CA LEU A 33 -20.308 -0.346 2.962 1.00 0.93 C ATOM 451 C LEU A 33 -20.890 0.268 4.229 1.00 0.90 C ATOM 452 O LEU A 33 -21.555 1.300 4.181 1.00 0.98 O ATOM 453 CB LEU A 33 -18.784 -0.189 2.916 1.00 0.99 C ATOM 454 CG LEU A 33 -18.166 1.226 3.040 1.00 1.26 C ATOM 455 CD1 LEU A 33 -16.786 1.225 2.423 1.00 2.16 C ATOM 456 CD2 LEU A 33 -19.012 2.323 2.408 1.00 1.95 C ATOM 0 H LEU A 33 -21.282 1.148 1.888 1.00 0.96 H new ATOM 0 HA LEU A 33 -20.566 -1.405 2.996 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.367 -0.800 3.716 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.438 -0.617 1.975 1.00 0.99 H new ATOM 0 HG LEU A 33 -18.117 1.454 4.105 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -16.348 2.220 2.509 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -16.155 0.505 2.944 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -16.858 0.950 1.371 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -18.515 3.285 2.535 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -19.139 2.118 1.345 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -19.989 2.353 2.891 1.00 1.95 H new ATOM 468 N LEU A 34 -20.642 -0.388 5.363 1.00 0.87 N ATOM 469 CA LEU A 34 -21.134 0.092 6.654 1.00 0.89 C ATOM 470 C LEU A 34 -20.208 1.161 7.181 1.00 0.84 C ATOM 471 O LEU A 34 -20.598 2.079 7.901 1.00 0.95 O ATOM 472 CB LEU A 34 -21.159 -1.042 7.662 1.00 1.01 C ATOM 473 CG LEU A 34 -21.650 -2.312 7.047 1.00 1.22 C ATOM 474 CD1 LEU A 34 -21.036 -3.527 7.723 1.00 1.45 C ATOM 475 CD2 LEU A 34 -23.166 -2.381 7.077 1.00 1.47 C ATOM 0 H LEU A 34 -20.104 -1.253 5.413 1.00 0.87 H new ATOM 0 HA LEU A 34 -22.140 0.488 6.513 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -20.157 -1.195 8.064 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -21.801 -0.771 8.500 1.00 1.01 H new ATOM 0 HG LEU A 34 -21.333 -2.318 6.004 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -21.414 -4.435 7.252 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -19.951 -3.490 7.622 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -21.302 -3.529 8.780 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -23.497 -3.315 6.623 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -23.512 -2.337 8.110 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -23.580 -1.541 6.520 1.00 1.47 H new ATOM 487 N LYS A 35 -18.966 0.990 6.794 1.00 0.76 N ATOM 488 CA LYS A 35 -17.850 1.692 7.365 1.00 0.76 C ATOM 489 C LYS A 35 -16.772 1.839 6.302 1.00 0.65 C ATOM 490 O LYS A 35 -16.562 0.908 5.524 1.00 0.75 O ATOM 491 CB LYS A 35 -17.346 0.888 8.573 1.00 0.90 C ATOM 492 CG LYS A 35 -17.461 -0.641 8.407 1.00 0.92 C ATOM 493 CD LYS A 35 -16.296 -1.233 7.624 1.00 0.90 C ATOM 494 CE LYS A 35 -14.967 -1.100 8.362 1.00 1.00 C ATOM 495 NZ LYS A 35 -14.916 -1.926 9.601 1.00 1.40 N ATOM 0 H LYS A 35 -18.701 0.341 6.053 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.133 2.689 7.703 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -16.303 1.145 8.757 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -17.909 1.190 9.456 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -17.507 -1.107 9.391 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -18.395 -0.879 7.897 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -16.494 -2.286 7.426 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -16.222 -0.735 6.657 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -14.155 -1.397 7.698 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.802 -0.054 8.620 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -13.956 -1.894 10.000 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -15.593 -1.551 10.296 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -15.163 -2.910 9.373 1.00 1.40 H new ATOM 509 N PRO A 36 -16.110 3.006 6.227 1.00 0.65 N ATOM 510 CA PRO A 36 -15.042 3.247 5.250 1.00 0.56 C ATOM 511 C PRO A 36 -14.046 2.092 5.218 1.00 0.45 C ATOM 512 O PRO A 36 -13.730 1.513 6.264 1.00 0.47 O ATOM 513 CB PRO A 36 -14.380 4.526 5.765 1.00 0.61 C ATOM 514 CG PRO A 36 -15.466 5.244 6.490 1.00 0.88 C ATOM 515 CD PRO A 36 -16.342 4.178 7.092 1.00 0.88 C ATOM 0 HA PRO A 36 -15.414 3.336 4.229 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.543 4.301 6.426 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -13.986 5.127 4.945 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -15.055 5.893 7.263 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -16.035 5.878 5.810 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -16.069 3.972 8.127 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -17.391 4.474 7.092 1.00 0.88 H new ATOM 523 N PRO A 37 -13.543 1.726 4.028 1.00 0.40 N ATOM 524 CA PRO A 37 -12.667 0.574 3.901 1.00 0.35 C ATOM 525 C PRO A 37 -11.385 0.765 4.674 1.00 0.32 C ATOM 526 O PRO A 37 -10.699 1.784 4.554 1.00 0.36 O ATOM 527 CB PRO A 37 -12.348 0.460 2.424 1.00 0.40 C ATOM 528 CG PRO A 37 -13.170 1.499 1.714 1.00 0.53 C ATOM 529 CD PRO A 37 -13.743 2.430 2.748 1.00 0.47 C ATOM 0 HA PRO A 37 -13.150 -0.319 4.298 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.285 0.622 2.246 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.585 -0.538 2.054 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -12.554 2.051 1.004 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -13.969 1.027 1.143 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -13.233 3.394 2.741 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -14.799 2.627 2.564 1.00 0.47 H new ATOM 537 N VAL A 38 -11.066 -0.227 5.457 1.00 0.29 N ATOM 538 CA VAL A 38 -9.873 -0.197 6.235 1.00 0.27 C ATOM 539 C VAL A 38 -8.863 -1.017 5.516 1.00 0.22 C ATOM 540 O VAL A 38 -8.907 -2.242 5.504 1.00 0.20 O ATOM 541 CB VAL A 38 -10.017 -0.777 7.636 1.00 0.31 C ATOM 542 CG1 VAL A 38 -8.899 -0.281 8.546 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.388 -0.492 8.229 1.00 0.77 C ATOM 0 H VAL A 38 -11.626 -1.072 5.569 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.596 0.850 6.356 1.00 0.27 H new ATOM 0 HB VAL A 38 -9.928 -1.860 7.555 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.023 -0.709 9.541 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -7.935 -0.586 8.138 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -8.938 0.806 8.611 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.449 -0.923 9.228 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -11.542 0.585 8.288 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.157 -0.934 7.596 1.00 0.77 H new ATOM 553 N VAL A 39 -7.986 -0.324 4.913 1.00 0.22 N ATOM 554 CA VAL A 39 -6.885 -0.911 4.230 1.00 0.21 C ATOM 555 C VAL A 39 -5.660 -0.643 5.044 1.00 0.20 C ATOM 556 O VAL A 39 -5.236 0.501 5.209 1.00 0.23 O ATOM 557 CB VAL A 39 -6.645 -0.310 2.844 1.00 0.24 C ATOM 558 CG1 VAL A 39 -5.903 -1.295 1.949 1.00 0.28 C ATOM 559 CG2 VAL A 39 -7.944 0.164 2.217 1.00 0.24 C ATOM 0 H VAL A 39 -8.004 0.695 4.873 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.103 -1.971 4.102 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.010 0.569 2.958 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.743 -0.847 0.968 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -4.940 -1.540 2.397 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.494 -2.204 1.840 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -7.740 0.586 1.233 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.628 -0.679 2.116 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.398 0.925 2.851 1.00 0.24 H new ATOM 569 N LYS A 40 -5.114 -1.686 5.548 1.00 0.19 N ATOM 570 CA LYS A 40 -3.902 -1.614 6.275 1.00 0.20 C ATOM 571 C LYS A 40 -2.753 -1.984 5.394 1.00 0.19 C ATOM 572 O LYS A 40 -2.682 -3.064 4.802 1.00 0.21 O ATOM 573 CB LYS A 40 -3.934 -2.452 7.543 1.00 0.26 C ATOM 574 CG LYS A 40 -4.418 -3.886 7.371 1.00 0.31 C ATOM 575 CD LYS A 40 -3.258 -4.848 7.122 1.00 0.37 C ATOM 576 CE LYS A 40 -3.723 -6.292 7.018 1.00 0.86 C ATOM 577 NZ LYS A 40 -4.046 -6.881 8.341 1.00 1.54 N ATOM 0 H LYS A 40 -5.501 -2.626 5.467 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.770 -0.583 6.602 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -2.930 -2.475 7.968 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.577 -1.955 8.270 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -4.962 -4.196 8.263 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -5.118 -3.936 6.537 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -2.745 -4.566 6.203 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.534 -4.759 7.932 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -4.603 -6.342 6.377 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -2.946 -6.887 6.539 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -4.358 -7.865 8.216 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -3.201 -6.860 8.946 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -4.807 -6.331 8.789 1.00 1.54 H new ATOM 591 N TRP A 41 -1.911 -1.024 5.271 1.00 0.18 N ATOM 592 CA TRP A 41 -0.679 -1.163 4.546 1.00 0.19 C ATOM 593 C TRP A 41 0.395 -1.705 5.431 1.00 0.21 C ATOM 594 O TRP A 41 0.528 -1.325 6.597 1.00 0.28 O ATOM 595 CB TRP A 41 -0.208 0.163 3.995 1.00 0.21 C ATOM 596 CG TRP A 41 -1.013 0.637 2.851 1.00 0.21 C ATOM 597 CD1 TRP A 41 -2.277 1.126 2.898 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.607 0.666 1.482 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.677 1.478 1.637 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.679 1.186 0.748 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.561 0.304 0.804 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.622 1.347 -0.633 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.607 0.466 -0.568 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.485 0.982 -1.267 1.00 0.33 C ATOM 0 H TRP A 41 -2.051 -0.098 5.675 1.00 0.18 H new ATOM 0 HA TRP A 41 -0.873 -1.850 3.722 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.240 0.910 4.788 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.833 0.071 3.685 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.875 1.223 3.792 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.578 1.893 1.398 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.409 -0.094 1.341 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.460 1.751 -1.181 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.501 0.189 -1.107 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.420 1.092 -2.339 1.00 0.33 H new ATOM 615 N PHE A 42 1.155 -2.583 4.867 1.00 0.21 N ATOM 616 CA PHE A 42 2.336 -3.053 5.500 1.00 0.23 C ATOM 617 C PHE A 42 3.494 -2.662 4.625 1.00 0.26 C ATOM 618 O PHE A 42 3.324 -2.453 3.428 1.00 0.34 O ATOM 619 CB PHE A 42 2.236 -4.569 5.709 1.00 0.26 C ATOM 620 CG PHE A 42 3.308 -5.179 6.563 1.00 0.30 C ATOM 621 CD1 PHE A 42 3.309 -4.987 7.935 1.00 0.49 C ATOM 622 CD2 PHE A 42 4.298 -5.966 5.998 1.00 0.37 C ATOM 623 CE1 PHE A 42 4.280 -5.566 8.727 1.00 0.62 C ATOM 624 CE2 PHE A 42 5.270 -6.550 6.786 1.00 0.50 C ATOM 625 CZ PHE A 42 5.260 -6.348 8.151 1.00 0.60 C ATOM 0 H PHE A 42 0.972 -2.994 3.952 1.00 0.21 H new ATOM 0 HA PHE A 42 2.476 -2.613 6.487 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.268 -4.792 6.158 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.254 -5.054 4.733 1.00 0.26 H new ATOM 0 HD1 PHE A 42 2.542 -4.378 8.390 1.00 0.49 H new ATOM 0 HD2 PHE A 42 4.310 -6.125 4.930 1.00 0.37 H new ATOM 0 HE1 PHE A 42 4.273 -5.407 9.795 1.00 0.62 H new ATOM 0 HE2 PHE A 42 6.036 -7.163 6.335 1.00 0.50 H new ATOM 0 HZ PHE A 42 6.020 -6.803 8.769 1.00 0.60 H new ATOM 635 N LYS A 43 4.643 -2.511 5.219 1.00 0.28 N ATOM 636 CA LYS A 43 5.776 -1.982 4.523 1.00 0.31 C ATOM 637 C LYS A 43 6.750 -3.116 4.250 1.00 0.39 C ATOM 638 O LYS A 43 6.559 -4.207 4.769 1.00 0.81 O ATOM 639 CB LYS A 43 6.390 -0.840 5.383 1.00 0.40 C ATOM 640 CG LYS A 43 7.842 -0.511 5.124 1.00 0.54 C ATOM 641 CD LYS A 43 8.013 0.533 4.058 1.00 0.67 C ATOM 642 CE LYS A 43 9.483 0.799 3.816 1.00 1.29 C ATOM 643 NZ LYS A 43 9.718 1.639 2.619 1.00 2.17 N ATOM 0 H LYS A 43 4.819 -2.750 6.195 1.00 0.28 H new ATOM 0 HA LYS A 43 5.502 -1.554 3.559 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.801 0.063 5.223 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.283 -1.108 6.434 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.303 -0.161 6.048 1.00 0.54 H new ATOM 0 HG3 LYS A 43 8.370 -1.418 4.828 1.00 0.54 H new ATOM 0 HD2 LYS A 43 7.540 0.200 3.134 1.00 0.67 H new ATOM 0 HD3 LYS A 43 7.514 1.454 4.358 1.00 0.67 H new ATOM 0 HE2 LYS A 43 9.909 1.291 4.690 1.00 1.29 H new ATOM 0 HE3 LYS A 43 10.006 -0.150 3.698 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 10.741 1.722 2.448 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 9.263 1.201 1.793 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 9.315 2.585 2.774 1.00 2.17 H new ATOM 657 N GLY A 44 7.711 -2.864 3.358 1.00 0.64 N ATOM 658 CA GLY A 44 8.862 -3.744 3.144 1.00 0.92 C ATOM 659 C GLY A 44 9.232 -4.606 4.335 1.00 0.39 C ATOM 660 O GLY A 44 8.903 -4.276 5.445 1.00 1.23 O ATOM 0 H GLY A 44 7.712 -2.038 2.760 1.00 0.64 H new ATOM 0 HA2 GLY A 44 8.652 -4.394 2.294 1.00 0.92 H new ATOM 0 HA3 GLY A 44 9.723 -3.133 2.873 1.00 0.92 H new ATOM 664 N LYS A 45 10.107 -5.569 4.088 1.00 0.85 N ATOM 665 CA LYS A 45 10.078 -6.951 4.636 1.00 1.06 C ATOM 666 C LYS A 45 9.670 -7.186 6.124 1.00 0.74 C ATOM 667 O LYS A 45 9.646 -8.340 6.564 1.00 0.82 O ATOM 668 CB LYS A 45 11.478 -7.547 4.402 1.00 1.67 C ATOM 669 CG LYS A 45 12.639 -6.592 4.591 1.00 2.44 C ATOM 670 CD LYS A 45 13.961 -7.298 4.348 1.00 2.82 C ATOM 671 CE LYS A 45 14.214 -8.399 5.370 1.00 2.98 C ATOM 672 NZ LYS A 45 15.390 -9.230 5.004 1.00 3.87 N ATOM 0 H LYS A 45 10.904 -5.418 3.470 1.00 0.85 H new ATOM 0 HA LYS A 45 9.258 -7.432 4.104 1.00 1.06 H new ATOM 0 HB2 LYS A 45 11.611 -8.390 5.079 1.00 1.67 H new ATOM 0 HB3 LYS A 45 11.519 -7.943 3.387 1.00 1.67 H new ATOM 0 HG2 LYS A 45 12.539 -5.751 3.905 1.00 2.44 H new ATOM 0 HG3 LYS A 45 12.620 -6.184 5.602 1.00 2.44 H new ATOM 0 HD2 LYS A 45 13.965 -7.726 3.345 1.00 2.82 H new ATOM 0 HD3 LYS A 45 14.773 -6.572 4.388 1.00 2.82 H new ATOM 0 HE2 LYS A 45 14.375 -7.954 6.352 1.00 2.98 H new ATOM 0 HE3 LYS A 45 13.331 -9.033 5.448 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 15.531 -9.968 5.723 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 15.226 -9.675 4.078 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 16.238 -8.629 4.954 1.00 3.87 H new ATOM 686 N TRP A 46 9.345 -6.158 6.890 1.00 0.58 N ATOM 687 CA TRP A 46 8.967 -6.325 8.297 1.00 0.57 C ATOM 688 C TRP A 46 8.236 -5.116 8.882 1.00 0.63 C ATOM 689 O TRP A 46 7.616 -5.219 9.944 1.00 0.74 O ATOM 690 CB TRP A 46 10.213 -6.543 9.133 1.00 0.76 C ATOM 691 CG TRP A 46 11.384 -5.796 8.598 1.00 0.97 C ATOM 692 CD1 TRP A 46 12.119 -6.142 7.523 1.00 1.19 C ATOM 693 CD2 TRP A 46 11.951 -4.588 9.097 1.00 1.27 C ATOM 694 NE1 TRP A 46 13.039 -5.192 7.245 1.00 1.38 N ATOM 695 CE2 TRP A 46 12.991 -4.232 8.220 1.00 1.42 C ATOM 696 CE3 TRP A 46 11.669 -3.763 10.180 1.00 1.66 C ATOM 697 CZ2 TRP A 46 13.750 -3.084 8.394 1.00 1.78 C ATOM 698 CZ3 TRP A 46 12.430 -2.626 10.359 1.00 2.10 C ATOM 699 CH2 TRP A 46 13.455 -2.291 9.471 1.00 2.11 C ATOM 0 H TRP A 46 9.333 -5.191 6.566 1.00 0.58 H new ATOM 0 HA TRP A 46 8.291 -7.180 8.326 1.00 0.57 H new ATOM 0 HB2 TRP A 46 10.021 -6.228 10.159 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.446 -7.607 9.165 1.00 0.76 H new ATOM 0 HD1 TRP A 46 11.990 -7.055 6.960 1.00 1.19 H new ATOM 0 HE1 TRP A 46 13.666 -5.190 6.441 1.00 1.38 H new ATOM 0 HE3 TRP A 46 10.872 -4.007 10.866 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 14.542 -2.826 7.707 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 12.229 -1.982 11.203 1.00 2.10 H new ATOM 0 HH2 TRP A 46 14.026 -1.389 9.637 1.00 2.11 H new ATOM 710 N VAL A 47 8.304 -3.985 8.208 1.00 0.63 N ATOM 711 CA VAL A 47 7.953 -2.756 8.786 1.00 0.74 C ATOM 712 C VAL A 47 6.525 -2.428 8.472 1.00 0.59 C ATOM 713 O VAL A 47 5.881 -3.018 7.609 1.00 0.57 O ATOM 714 CB VAL A 47 8.855 -1.606 8.304 1.00 0.90 C ATOM 715 CG1 VAL A 47 9.706 -1.089 9.440 1.00 1.20 C ATOM 716 CG2 VAL A 47 9.752 -2.038 7.157 1.00 1.29 C ATOM 0 H VAL A 47 8.610 -3.920 7.237 1.00 0.63 H new ATOM 0 HA VAL A 47 8.087 -2.860 9.863 1.00 0.74 H new ATOM 0 HB VAL A 47 8.200 -0.811 7.947 1.00 0.90 H new ATOM 0 HG11 VAL A 47 10.337 -0.276 9.081 1.00 1.20 H new ATOM 0 HG12 VAL A 47 9.062 -0.722 10.239 1.00 1.20 H new ATOM 0 HG13 VAL A 47 10.333 -1.895 9.821 1.00 1.20 H new ATOM 0 HG21 VAL A 47 10.373 -1.199 6.845 1.00 1.29 H new ATOM 0 HG22 VAL A 47 10.389 -2.860 7.483 1.00 1.29 H new ATOM 0 HG23 VAL A 47 9.138 -2.366 6.318 1.00 1.29 H new ATOM 726 N ASP A 48 6.074 -1.481 9.191 1.00 0.60 N ATOM 727 CA ASP A 48 4.766 -0.963 9.110 1.00 0.56 C ATOM 728 C ASP A 48 4.834 0.455 8.607 1.00 0.58 C ATOM 729 O ASP A 48 5.862 1.104 8.702 1.00 0.96 O ATOM 730 CB ASP A 48 4.129 -0.992 10.482 1.00 0.73 C ATOM 731 CG ASP A 48 5.039 -0.489 11.582 1.00 1.88 C ATOM 732 OD1 ASP A 48 6.042 -1.163 11.903 1.00 2.73 O ATOM 733 OD2 ASP A 48 4.743 0.583 12.134 1.00 2.22 O ATOM 0 H ASP A 48 6.642 -1.015 9.898 1.00 0.60 H new ATOM 0 HA ASP A 48 4.167 -1.565 8.426 1.00 0.56 H new ATOM 0 HB2 ASP A 48 3.223 -0.386 10.466 1.00 0.73 H new ATOM 0 HB3 ASP A 48 3.826 -2.014 10.711 1.00 0.73 H new ATOM 738 N LEU A 49 3.777 0.903 8.006 1.00 0.39 N ATOM 739 CA LEU A 49 3.643 2.314 7.679 1.00 0.35 C ATOM 740 C LEU A 49 2.932 3.086 8.766 1.00 0.41 C ATOM 741 O LEU A 49 3.149 4.279 8.914 1.00 0.44 O ATOM 742 CB LEU A 49 2.861 2.488 6.390 1.00 0.29 C ATOM 743 CG LEU A 49 3.557 2.071 5.113 1.00 0.25 C ATOM 744 CD1 LEU A 49 4.028 0.755 5.188 1.00 0.36 C ATOM 745 CD2 LEU A 49 2.630 2.001 3.976 1.00 0.28 C ATOM 0 H LEU A 49 2.986 0.323 7.726 1.00 0.39 H new ATOM 0 HA LEU A 49 4.655 2.704 7.572 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.935 1.920 6.474 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.583 3.538 6.299 1.00 0.29 H new ATOM 0 HG LEU A 49 4.344 2.814 4.984 1.00 0.25 H new ATOM 0 HD11 LEU A 49 4.522 0.491 4.253 1.00 0.36 H new ATOM 0 HD12 LEU A 49 4.738 0.669 6.010 1.00 0.36 H new ATOM 0 HD13 LEU A 49 3.191 0.078 5.360 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.174 1.698 3.081 1.00 0.28 H new ATOM 0 HD22 LEU A 49 1.847 1.273 4.189 1.00 0.28 H new ATOM 0 HD23 LEU A 49 2.180 2.980 3.813 1.00 0.28 H new ATOM 757 N SER A 50 2.137 2.401 9.563 1.00 0.48 N ATOM 758 CA SER A 50 1.226 3.057 10.478 1.00 0.58 C ATOM 759 C SER A 50 2.025 3.893 11.447 1.00 0.62 C ATOM 760 O SER A 50 1.521 4.845 12.045 1.00 0.70 O ATOM 761 CB SER A 50 0.375 2.022 11.227 1.00 0.73 C ATOM 762 OG SER A 50 -0.644 2.642 11.995 1.00 1.23 O ATOM 0 H SER A 50 2.104 1.382 9.595 1.00 0.48 H new ATOM 0 HA SER A 50 0.547 3.701 9.918 1.00 0.58 H new ATOM 0 HB2 SER A 50 -0.075 1.334 10.512 1.00 0.73 H new ATOM 0 HB3 SER A 50 1.014 1.429 11.881 1.00 0.73 H new ATOM 0 HG SER A 50 -1.168 1.955 12.458 1.00 1.23 H new ATOM 768 N SER A 51 3.294 3.544 11.588 1.00 0.64 N ATOM 769 CA SER A 51 4.126 4.258 12.492 1.00 0.75 C ATOM 770 C SER A 51 5.004 5.235 11.743 1.00 0.72 C ATOM 771 O SER A 51 5.202 6.382 12.143 1.00 0.85 O ATOM 772 CB SER A 51 4.986 3.300 13.293 1.00 0.90 C ATOM 773 OG SER A 51 4.197 2.331 13.951 1.00 1.34 O ATOM 0 H SER A 51 3.748 2.780 11.088 1.00 0.64 H new ATOM 0 HA SER A 51 3.486 4.813 13.178 1.00 0.75 H new ATOM 0 HB2 SER A 51 5.697 2.805 12.631 1.00 0.90 H new ATOM 0 HB3 SER A 51 5.569 3.857 14.027 1.00 0.90 H new ATOM 0 HG SER A 51 4.192 1.503 13.427 1.00 1.34 H new ATOM 779 N LYS A 52 5.501 4.744 10.635 1.00 0.62 N ATOM 780 CA LYS A 52 6.540 5.366 9.878 1.00 0.66 C ATOM 781 C LYS A 52 6.039 6.580 9.127 1.00 0.67 C ATOM 782 O LYS A 52 6.320 7.714 9.514 1.00 1.09 O ATOM 783 CB LYS A 52 7.073 4.308 8.923 1.00 0.65 C ATOM 784 CG LYS A 52 7.930 3.261 9.585 1.00 0.70 C ATOM 785 CD LYS A 52 7.211 2.506 10.703 1.00 0.78 C ATOM 786 CE LYS A 52 8.119 1.510 11.400 1.00 1.02 C ATOM 787 NZ LYS A 52 9.232 2.164 12.140 1.00 1.40 N ATOM 0 H LYS A 52 5.176 3.868 10.227 1.00 0.62 H new ATOM 0 HA LYS A 52 7.327 5.731 10.538 1.00 0.66 H new ATOM 0 HB2 LYS A 52 6.231 3.818 8.434 1.00 0.65 H new ATOM 0 HB3 LYS A 52 7.654 4.798 8.142 1.00 0.65 H new ATOM 0 HG2 LYS A 52 8.265 2.548 8.832 1.00 0.70 H new ATOM 0 HG3 LYS A 52 8.822 3.737 9.993 1.00 0.70 H new ATOM 0 HD2 LYS A 52 6.829 3.219 11.433 1.00 0.78 H new ATOM 0 HD3 LYS A 52 6.350 1.982 10.289 1.00 0.78 H new ATOM 0 HE2 LYS A 52 7.529 0.912 12.094 1.00 1.02 H new ATOM 0 HE3 LYS A 52 8.534 0.824 10.661 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 9.717 1.459 12.731 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 9.907 2.571 11.462 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 8.850 2.919 12.745 1.00 1.40 H new ATOM 801 N VAL A 53 5.324 6.275 8.058 1.00 0.34 N ATOM 802 CA VAL A 53 4.624 7.210 7.189 1.00 0.32 C ATOM 803 C VAL A 53 4.917 8.675 7.494 1.00 0.33 C ATOM 804 O VAL A 53 4.252 9.342 8.299 1.00 0.37 O ATOM 805 CB VAL A 53 3.129 6.859 7.240 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.203 7.936 6.707 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.893 5.611 6.450 1.00 0.35 C ATOM 0 H VAL A 53 5.209 5.308 7.753 1.00 0.34 H new ATOM 0 HA VAL A 53 4.993 7.099 6.169 1.00 0.32 H new ATOM 0 HB VAL A 53 2.892 6.739 8.297 1.00 0.32 H new ATOM 0 HG11 VAL A 53 1.170 7.598 6.784 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.331 8.848 7.291 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.442 8.137 5.663 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.834 5.355 6.481 1.00 0.35 H new ATOM 0 HG22 VAL A 53 3.197 5.772 5.416 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.476 4.795 6.876 1.00 0.35 H new ATOM 817 N GLY A 54 5.978 9.126 6.860 1.00 0.35 N ATOM 818 CA GLY A 54 6.428 10.486 6.984 1.00 0.41 C ATOM 819 C GLY A 54 7.238 10.921 5.777 1.00 0.44 C ATOM 820 O GLY A 54 6.847 10.667 4.645 1.00 0.70 O ATOM 0 H GLY A 54 6.552 8.553 6.242 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.568 11.145 7.102 1.00 0.41 H new ATOM 0 HA3 GLY A 54 7.033 10.588 7.885 1.00 0.41 H new ATOM 824 N GLN A 55 8.395 11.520 6.029 1.00 0.36 N ATOM 825 CA GLN A 55 9.183 12.187 4.989 1.00 0.43 C ATOM 826 C GLN A 55 9.607 11.247 3.855 1.00 0.39 C ATOM 827 O GLN A 55 9.563 11.625 2.686 1.00 0.50 O ATOM 828 CB GLN A 55 10.434 12.847 5.594 1.00 0.61 C ATOM 829 CG GLN A 55 10.162 13.816 6.742 1.00 1.43 C ATOM 830 CD GLN A 55 9.870 13.113 8.058 1.00 2.08 C ATOM 831 OE1 GLN A 55 8.719 12.837 8.394 1.00 2.75 O ATOM 832 NE2 GLN A 55 10.913 12.800 8.802 1.00 2.69 N ATOM 0 H GLN A 55 8.817 11.560 6.957 1.00 0.36 H new ATOM 0 HA GLN A 55 8.529 12.945 4.559 1.00 0.43 H new ATOM 0 HB2 GLN A 55 11.103 12.064 5.951 1.00 0.61 H new ATOM 0 HB3 GLN A 55 10.962 13.382 4.804 1.00 0.61 H new ATOM 0 HG2 GLN A 55 11.024 14.470 6.870 1.00 1.43 H new ATOM 0 HG3 GLN A 55 9.316 14.452 6.481 1.00 1.43 H new ATOM 0 HE21 GLN A 55 11.853 13.045 8.491 1.00 2.69 H new ATOM 0 HE22 GLN A 55 10.780 12.313 9.688 1.00 2.69 H new ATOM 841 N HIS A 56 10.038 10.035 4.189 1.00 0.36 N ATOM 842 CA HIS A 56 10.558 9.120 3.166 1.00 0.41 C ATOM 843 C HIS A 56 9.473 8.194 2.619 1.00 0.35 C ATOM 844 O HIS A 56 9.441 7.892 1.437 1.00 0.42 O ATOM 845 CB HIS A 56 11.730 8.306 3.725 1.00 0.54 C ATOM 846 CG HIS A 56 11.339 7.215 4.670 1.00 0.58 C ATOM 847 ND1 HIS A 56 11.175 5.908 4.270 1.00 0.87 N ATOM 848 CD2 HIS A 56 11.039 7.248 5.988 1.00 1.06 C ATOM 849 CE1 HIS A 56 10.789 5.182 5.303 1.00 1.11 C ATOM 850 NE2 HIS A 56 10.700 5.970 6.356 1.00 1.33 N ATOM 0 H HIS A 56 10.041 9.664 5.139 1.00 0.36 H new ATOM 0 HA HIS A 56 10.913 9.728 2.334 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.280 7.867 2.892 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.414 8.983 4.237 1.00 0.54 H new ATOM 0 HD2 HIS A 56 11.062 8.116 6.630 1.00 1.06 H new ATOM 0 HE1 HIS A 56 10.581 4.122 5.288 1.00 1.11 H new ATOM 0 HE2 HIS A 56 10.424 5.677 7.293 1.00 1.33 H new ATOM 859 N LEU A 57 8.600 7.755 3.498 1.00 0.28 N ATOM 860 CA LEU A 57 7.450 6.945 3.142 1.00 0.25 C ATOM 861 C LEU A 57 6.233 7.682 3.585 1.00 0.23 C ATOM 862 O LEU A 57 5.933 7.728 4.756 1.00 0.29 O ATOM 863 CB LEU A 57 7.560 5.557 3.850 1.00 0.38 C ATOM 864 CG LEU A 57 6.315 4.612 4.044 1.00 0.28 C ATOM 865 CD1 LEU A 57 6.003 4.501 5.509 1.00 1.11 C ATOM 866 CD2 LEU A 57 5.070 5.035 3.278 1.00 1.10 C ATOM 0 H LEU A 57 8.668 7.952 4.496 1.00 0.28 H new ATOM 0 HA LEU A 57 7.400 6.768 2.068 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.306 4.983 3.300 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.969 5.743 4.843 1.00 0.38 H new ATOM 0 HG LEU A 57 6.598 3.646 3.625 1.00 0.28 H new ATOM 0 HD11 LEU A 57 5.142 3.848 5.649 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.863 4.085 6.034 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.777 5.490 5.909 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.265 4.326 3.472 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.764 6.030 3.602 1.00 1.10 H new ATOM 0 HD23 LEU A 57 5.288 5.053 2.210 1.00 1.10 H new ATOM 878 N GLN A 58 5.538 8.240 2.644 1.00 0.20 N ATOM 879 CA GLN A 58 4.224 8.682 2.879 1.00 0.21 C ATOM 880 C GLN A 58 3.301 7.616 2.339 1.00 0.18 C ATOM 881 O GLN A 58 3.231 7.379 1.139 1.00 0.19 O ATOM 882 CB GLN A 58 3.969 10.003 2.148 1.00 0.27 C ATOM 883 CG GLN A 58 5.052 11.057 2.332 1.00 0.46 C ATOM 884 CD GLN A 58 6.169 11.000 1.302 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.062 11.580 0.225 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.266 10.344 1.644 1.00 0.28 N ATOM 0 H GLN A 58 5.877 8.396 1.695 1.00 0.20 H new ATOM 0 HA GLN A 58 4.058 8.849 3.943 1.00 0.21 H new ATOM 0 HB2 GLN A 58 3.860 9.797 1.083 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.020 10.414 2.492 1.00 0.27 H new ATOM 0 HG2 GLN A 58 4.591 12.044 2.295 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.485 10.945 3.326 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.318 9.874 2.548 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.059 10.308 1.004 1.00 0.28 H new ATOM 895 N LEU A 59 2.607 6.987 3.235 1.00 0.20 N ATOM 896 CA LEU A 59 1.513 6.120 2.888 1.00 0.20 C ATOM 897 C LEU A 59 0.298 7.034 2.958 1.00 0.21 C ATOM 898 O LEU A 59 -0.254 7.303 4.024 1.00 0.23 O ATOM 899 CB LEU A 59 1.428 4.860 3.840 1.00 0.23 C ATOM 900 CG LEU A 59 0.261 3.873 3.675 1.00 0.23 C ATOM 901 CD1 LEU A 59 -0.068 3.361 5.054 1.00 0.26 C ATOM 902 CD2 LEU A 59 -0.967 4.447 2.988 1.00 0.23 C ATOM 0 H LEU A 59 2.781 7.058 4.238 1.00 0.20 H new ATOM 0 HA LEU A 59 1.615 5.669 1.901 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.354 4.296 3.722 1.00 0.23 H new ATOM 0 HB3 LEU A 59 1.406 5.225 4.867 1.00 0.23 H new ATOM 0 HG LEU A 59 0.575 3.073 3.004 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.894 2.653 4.992 1.00 0.26 H new ATOM 0 HD12 LEU A 59 0.805 2.863 5.475 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.353 4.196 5.694 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.737 3.678 2.917 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.347 5.289 3.567 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.699 4.786 1.987 1.00 0.23 H new ATOM 914 N HIS A 60 -0.041 7.565 1.804 1.00 0.22 N ATOM 915 CA HIS A 60 -1.114 8.479 1.640 1.00 0.25 C ATOM 916 C HIS A 60 -2.352 7.786 1.196 1.00 0.24 C ATOM 917 O HIS A 60 -2.359 6.649 0.742 1.00 0.26 O ATOM 918 CB HIS A 60 -0.803 9.571 0.632 1.00 0.37 C ATOM 919 CG HIS A 60 -0.010 10.716 1.170 1.00 0.79 C ATOM 920 ND1 HIS A 60 -0.454 11.514 2.200 1.00 1.48 N ATOM 921 CD2 HIS A 60 1.189 11.216 0.800 1.00 1.65 C ATOM 922 CE1 HIS A 60 0.437 12.454 2.439 1.00 1.91 C ATOM 923 NE2 HIS A 60 1.445 12.297 1.607 1.00 2.03 N ATOM 0 H HIS A 60 0.449 7.356 0.934 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.262 8.932 2.620 1.00 0.25 H new ATOM 0 HB2 HIS A 60 -0.257 9.130 -0.202 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -1.742 9.954 0.232 1.00 0.37 H new ATOM 0 HD2 HIS A 60 1.827 10.836 0.016 1.00 1.65 H new ATOM 0 HE1 HIS A 60 0.354 13.224 3.191 1.00 1.91 H new ATOM 0 HE2 HIS A 60 2.279 12.882 1.568 1.00 2.03 H new ATOM 932 N ASP A 61 -3.374 8.536 1.353 1.00 0.29 N ATOM 933 CA ASP A 61 -4.704 8.183 1.013 1.00 0.32 C ATOM 934 C ASP A 61 -5.355 9.362 0.350 1.00 0.35 C ATOM 935 O ASP A 61 -5.414 10.472 0.879 1.00 0.48 O ATOM 936 CB ASP A 61 -5.512 7.777 2.224 1.00 0.44 C ATOM 937 CG ASP A 61 -5.551 8.827 3.324 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.544 8.981 4.048 1.00 0.73 O ATOM 939 OD2 ASP A 61 -6.594 9.496 3.475 1.00 0.92 O ATOM 0 H ASP A 61 -3.303 9.474 1.748 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.670 7.325 0.341 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.532 7.557 1.910 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -5.098 6.855 2.631 1.00 0.44 H new ATOM 944 N SER A 62 -5.769 9.114 -0.838 1.00 0.29 N ATOM 945 CA SER A 62 -6.555 10.065 -1.588 1.00 0.32 C ATOM 946 C SER A 62 -7.887 9.475 -1.921 1.00 0.32 C ATOM 947 O SER A 62 -7.994 8.526 -2.671 1.00 0.41 O ATOM 948 CB SER A 62 -5.879 10.512 -2.861 1.00 0.40 C ATOM 949 OG SER A 62 -4.568 9.979 -2.979 1.00 0.47 O ATOM 0 H SER A 62 -5.579 8.244 -1.335 1.00 0.29 H new ATOM 0 HA SER A 62 -6.672 10.943 -0.953 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.476 10.200 -3.718 1.00 0.40 H new ATOM 0 HB3 SER A 62 -5.832 11.601 -2.884 1.00 0.40 H new ATOM 0 HG SER A 62 -4.602 9.004 -2.892 1.00 0.47 H new ATOM 955 N TYR A 63 -8.895 10.075 -1.389 1.00 0.38 N ATOM 956 CA TYR A 63 -10.196 9.504 -1.441 1.00 0.45 C ATOM 957 C TYR A 63 -11.166 10.436 -2.136 1.00 0.47 C ATOM 958 O TYR A 63 -11.525 11.501 -1.633 1.00 0.54 O ATOM 959 CB TYR A 63 -10.630 9.097 -0.027 1.00 0.64 C ATOM 960 CG TYR A 63 -11.667 9.964 0.657 1.00 0.63 C ATOM 961 CD1 TYR A 63 -13.024 9.716 0.502 1.00 0.84 C ATOM 962 CD2 TYR A 63 -11.284 11.047 1.442 1.00 0.87 C ATOM 963 CE1 TYR A 63 -13.968 10.518 1.112 1.00 1.05 C ATOM 964 CE2 TYR A 63 -12.223 11.853 2.053 1.00 1.06 C ATOM 965 CZ TYR A 63 -13.577 11.526 1.941 1.00 1.07 C ATOM 966 OH TYR A 63 -14.506 12.384 2.493 1.00 1.39 O ATOM 0 H TYR A 63 -8.841 10.972 -0.907 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.186 8.596 -2.044 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -11.018 8.079 -0.073 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -9.742 9.071 0.604 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -13.346 8.883 -0.105 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -10.234 11.261 1.576 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -15.019 10.346 0.932 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -11.915 12.725 2.611 1.00 1.06 H new ATOM 0 HH TYR A 63 -14.049 13.041 3.059 1.00 1.39 H new ATOM 976 N ASP A 64 -11.519 10.059 -3.341 1.00 0.47 N ATOM 977 CA ASP A 64 -12.539 10.726 -4.070 1.00 0.57 C ATOM 978 C ASP A 64 -13.776 9.869 -4.090 1.00 0.57 C ATOM 979 O ASP A 64 -13.877 8.884 -4.818 1.00 0.63 O ATOM 980 CB ASP A 64 -12.075 11.045 -5.470 1.00 0.71 C ATOM 981 CG ASP A 64 -10.857 10.257 -5.913 1.00 1.53 C ATOM 982 OD1 ASP A 64 -9.726 10.678 -5.592 1.00 2.00 O ATOM 983 OD2 ASP A 64 -11.023 9.235 -6.600 1.00 2.42 O ATOM 0 H ASP A 64 -11.096 9.274 -3.836 1.00 0.47 H new ATOM 0 HA ASP A 64 -12.772 11.672 -3.581 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -12.892 10.852 -6.165 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -11.848 12.109 -5.533 1.00 0.71 H new ATOM 988 N ARG A 65 -14.704 10.248 -3.251 1.00 0.60 N ATOM 989 CA ARG A 65 -15.909 9.487 -3.030 1.00 0.64 C ATOM 990 C ARG A 65 -16.793 9.475 -4.271 1.00 0.74 C ATOM 991 O ARG A 65 -17.515 8.514 -4.526 1.00 0.88 O ATOM 992 CB ARG A 65 -16.659 10.065 -1.834 1.00 0.74 C ATOM 993 CG ARG A 65 -17.185 8.990 -0.922 1.00 0.86 C ATOM 994 CD ARG A 65 -18.306 8.211 -1.591 1.00 1.00 C ATOM 995 NE ARG A 65 -19.604 8.851 -1.382 1.00 1.19 N ATOM 996 CZ ARG A 65 -20.371 9.353 -2.351 1.00 1.80 C ATOM 997 NH1 ARG A 65 -20.010 9.258 -3.629 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.512 9.955 -2.037 1.00 2.07 N ATOM 0 H ARG A 65 -14.646 11.102 -2.696 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.637 8.453 -2.819 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -15.994 10.722 -1.273 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.488 10.677 -2.188 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -16.377 8.311 -0.650 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -17.550 9.438 0.002 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -18.107 8.131 -2.660 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -18.332 7.196 -1.194 1.00 1.00 H new ATOM 0 HE ARG A 65 -19.948 8.919 -0.424 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -19.136 8.796 -3.879 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -20.608 9.647 -4.358 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -21.797 10.031 -1.060 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -22.104 10.341 -2.772 1.00 2.07 H new ATOM 1012 N ALA A 66 -16.715 10.542 -5.040 1.00 0.80 N ATOM 1013 CA ALA A 66 -17.467 10.658 -6.282 1.00 0.93 C ATOM 1014 C ALA A 66 -16.827 9.817 -7.378 1.00 0.83 C ATOM 1015 O ALA A 66 -17.425 9.582 -8.426 1.00 0.92 O ATOM 1016 CB ALA A 66 -17.575 12.113 -6.711 1.00 1.15 C ATOM 0 H ALA A 66 -16.133 11.352 -4.827 1.00 0.80 H new ATOM 0 HA ALA A 66 -18.475 10.280 -6.108 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -18.140 12.177 -7.641 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -18.086 12.684 -5.936 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -16.576 12.522 -6.865 1.00 1.15 H new ATOM 1022 N SER A 67 -15.613 9.355 -7.116 1.00 0.72 N ATOM 1023 CA SER A 67 -14.946 8.426 -8.005 1.00 0.72 C ATOM 1024 C SER A 67 -15.072 7.041 -7.411 1.00 0.58 C ATOM 1025 O SER A 67 -14.849 6.035 -8.086 1.00 0.63 O ATOM 1026 CB SER A 67 -13.468 8.775 -8.168 1.00 0.83 C ATOM 1027 OG SER A 67 -13.279 10.137 -8.507 1.00 1.41 O ATOM 0 H SER A 67 -15.071 9.612 -6.291 1.00 0.72 H new ATOM 0 HA SER A 67 -15.410 8.476 -8.990 1.00 0.72 H new ATOM 0 HB2 SER A 67 -12.939 8.555 -7.240 1.00 0.83 H new ATOM 0 HB3 SER A 67 -13.030 8.145 -8.942 1.00 0.83 H new ATOM 0 HG SER A 67 -12.321 10.321 -8.601 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.432 7.019 -6.123 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.622 5.785 -5.380 1.00 0.50 C ATOM 1035 C LYS A 68 -14.277 5.087 -5.182 1.00 0.44 C ATOM 1036 O LYS A 68 -14.199 3.865 -5.098 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.594 4.877 -6.134 1.00 0.70 C ATOM 1038 CG LYS A 68 -17.086 3.673 -5.352 1.00 0.66 C ATOM 1039 CD LYS A 68 -18.458 3.906 -4.740 1.00 1.38 C ATOM 1040 CE LYS A 68 -18.396 4.763 -3.487 1.00 2.27 C ATOM 1041 NZ LYS A 68 -19.761 5.116 -3.018 1.00 3.31 N ATOM 0 H LYS A 68 -15.598 7.862 -5.573 1.00 0.50 H new ATOM 0 HA LYS A 68 -16.042 6.010 -4.400 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.456 5.469 -6.441 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -16.108 4.526 -7.044 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -17.127 2.806 -6.011 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -16.373 3.439 -4.562 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -19.103 4.388 -5.475 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -18.912 2.945 -4.498 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -17.864 4.227 -2.701 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -17.831 5.672 -3.691 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -19.724 6.005 -2.480 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -20.390 5.233 -3.838 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -20.126 4.357 -2.408 1.00 3.31 H new ATOM 1055 N VAL A 69 -13.214 5.872 -5.083 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.893 5.324 -4.933 1.00 0.31 C ATOM 1057 C VAL A 69 -11.153 6.034 -3.823 1.00 0.29 C ATOM 1058 O VAL A 69 -11.194 7.257 -3.699 1.00 0.35 O ATOM 1059 CB VAL A 69 -11.037 5.453 -6.210 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.799 4.574 -6.120 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.834 5.126 -7.463 1.00 0.43 C ATOM 0 H VAL A 69 -13.251 6.891 -5.105 1.00 0.34 H new ATOM 0 HA VAL A 69 -12.035 4.267 -4.710 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.722 6.494 -6.285 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -9.210 4.681 -7.031 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -9.199 4.878 -5.262 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -10.100 3.533 -6.002 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -11.194 5.229 -8.339 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -12.204 4.102 -7.402 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.677 5.812 -7.547 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.530 5.241 -3.007 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.492 5.691 -2.128 1.00 0.25 C ATOM 1073 C TYR A 70 -8.200 5.227 -2.730 1.00 0.22 C ATOM 1074 O TYR A 70 -7.917 4.029 -2.789 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.573 5.094 -0.733 1.00 0.31 C ATOM 1076 CG TYR A 70 -10.794 5.455 0.076 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -12.066 5.134 -0.377 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -10.674 6.119 1.277 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -13.189 5.462 0.355 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -11.789 6.451 2.023 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.035 6.123 1.576 1.00 0.76 C ATOM 1082 OH TYR A 70 -14.169 6.439 2.287 1.00 0.93 O ATOM 0 H TYR A 70 -10.731 4.244 -2.931 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.581 6.772 -2.025 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.530 4.008 -0.822 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -8.689 5.404 -0.176 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -12.179 4.618 -1.319 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -9.693 6.384 1.642 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -14.174 5.211 -0.011 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -11.673 6.971 2.962 1.00 1.24 H new ATOM 0 HH TYR A 70 -13.918 6.895 3.117 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.439 6.154 -3.186 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.143 5.842 -3.692 1.00 0.19 C ATOM 1094 C LEU A 71 -5.169 6.033 -2.586 1.00 0.20 C ATOM 1095 O LEU A 71 -4.816 7.150 -2.214 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.695 6.691 -4.878 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.193 6.525 -5.170 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.877 5.097 -5.586 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -3.701 7.504 -6.213 1.00 0.52 C ATOM 0 H LEU A 71 -7.689 7.142 -3.221 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.189 4.816 -4.057 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.269 6.412 -5.761 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -5.911 7.740 -4.676 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.663 6.746 -4.244 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.810 5.004 -5.787 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -4.156 4.414 -4.783 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.439 4.847 -6.486 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -2.636 7.348 -6.385 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -4.246 7.348 -7.144 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -3.866 8.523 -5.863 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.744 4.939 -2.077 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.682 4.924 -1.147 1.00 0.21 C ATOM 1113 C PHE A 72 -2.416 4.864 -1.943 1.00 0.23 C ATOM 1114 O PHE A 72 -2.131 3.896 -2.645 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.796 3.735 -0.236 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.947 3.799 0.728 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -6.217 3.395 0.346 1.00 0.28 C ATOM 1118 CD2 PHE A 72 -4.756 4.260 2.024 1.00 0.31 C ATOM 1119 CE1 PHE A 72 -7.274 3.453 1.236 1.00 0.30 C ATOM 1120 CE2 PHE A 72 -5.811 4.320 2.916 1.00 0.33 C ATOM 1121 CZ PHE A 72 -7.070 3.917 2.521 1.00 0.30 C ATOM 0 H PHE A 72 -5.127 4.020 -2.297 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.701 5.812 -0.515 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.896 2.836 -0.844 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.869 3.636 0.330 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -6.383 3.031 -0.657 1.00 0.28 H new ATOM 0 HD2 PHE A 72 -3.772 4.575 2.339 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -8.259 3.136 0.926 1.00 0.30 H new ATOM 0 HE2 PHE A 72 -5.650 4.682 3.921 1.00 0.33 H new ATOM 0 HZ PHE A 72 -7.895 3.964 3.216 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.692 5.916 -1.840 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.510 6.104 -2.632 1.00 0.26 C ATOM 1133 C GLU A 73 0.669 6.347 -1.748 1.00 0.20 C ATOM 1134 O GLU A 73 0.699 7.264 -0.929 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.665 7.235 -3.643 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.389 8.462 -3.111 1.00 0.59 C ATOM 1137 CD GLU A 73 -0.555 9.722 -3.228 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -0.086 10.033 -4.342 1.00 1.09 O ATOM 1139 OE2 GLU A 73 -0.363 10.414 -2.207 1.00 1.32 O ATOM 0 H GLU A 73 -1.895 6.685 -1.201 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.349 5.188 -3.201 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.324 7.534 -3.989 1.00 0.42 H new ATOM 0 HB3 GLU A 73 -1.206 6.858 -4.511 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -2.322 8.595 -3.658 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -1.653 8.300 -2.066 1.00 0.59 H new ATOM 1146 N LEU A 74 1.626 5.495 -1.911 1.00 0.21 N ATOM 1147 CA LEU A 74 2.833 5.574 -1.175 1.00 0.21 C ATOM 1148 C LEU A 74 3.808 6.376 -1.958 1.00 0.20 C ATOM 1149 O LEU A 74 4.017 6.168 -3.155 1.00 0.25 O ATOM 1150 CB LEU A 74 3.460 4.214 -0.928 1.00 0.27 C ATOM 1151 CG LEU A 74 2.613 3.188 -0.178 1.00 0.27 C ATOM 1152 CD1 LEU A 74 3.460 2.481 0.854 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.384 3.813 0.469 1.00 0.96 C ATOM 0 H LEU A 74 1.586 4.716 -2.569 1.00 0.21 H new ATOM 0 HA LEU A 74 2.596 6.023 -0.211 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.735 3.787 -1.893 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.385 4.363 -0.370 1.00 0.27 H new ATOM 0 HG LEU A 74 2.249 2.463 -0.906 1.00 0.27 H new ATOM 0 HD11 LEU A 74 2.851 1.750 1.386 1.00 0.85 H new ATOM 0 HD12 LEU A 74 4.287 1.972 0.359 1.00 0.85 H new ATOM 0 HD13 LEU A 74 3.854 3.210 1.563 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.815 3.042 0.990 1.00 0.96 H new ATOM 0 HD22 LEU A 74 1.696 4.577 1.181 1.00 0.96 H new ATOM 0 HD23 LEU A 74 0.759 4.268 -0.300 1.00 0.96 H new ATOM 1165 N HIS A 75 4.405 7.265 -1.276 1.00 0.18 N ATOM 1166 CA HIS A 75 5.541 7.940 -1.797 1.00 0.19 C ATOM 1167 C HIS A 75 6.647 7.501 -0.907 1.00 0.19 C ATOM 1168 O HIS A 75 6.790 7.986 0.207 1.00 0.19 O ATOM 1169 CB HIS A 75 5.379 9.465 -1.775 1.00 0.23 C ATOM 1170 CG HIS A 75 4.309 9.984 -2.690 1.00 0.39 C ATOM 1171 ND1 HIS A 75 4.568 10.799 -3.774 1.00 1.01 N ATOM 1172 CD2 HIS A 75 2.963 9.818 -2.666 1.00 1.15 C ATOM 1173 CE1 HIS A 75 3.432 11.095 -4.381 1.00 0.88 C ATOM 1174 NE2 HIS A 75 2.448 10.514 -3.728 1.00 0.94 N ATOM 0 H HIS A 75 4.128 7.554 -0.338 1.00 0.18 H new ATOM 0 HA HIS A 75 5.713 7.701 -2.846 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.154 9.780 -0.756 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.329 9.924 -2.049 1.00 0.23 H new ATOM 0 HD2 HIS A 75 2.401 9.244 -1.944 1.00 1.15 H new ATOM 0 HE1 HIS A 75 3.329 11.709 -5.263 1.00 0.88 H new ATOM 0 HE2 HIS A 75 1.460 10.573 -3.973 1.00 0.94 H new ATOM 1183 N ILE A 76 7.387 6.536 -1.369 1.00 0.21 N ATOM 1184 CA ILE A 76 8.402 5.968 -0.555 1.00 0.23 C ATOM 1185 C ILE A 76 9.706 6.048 -1.268 1.00 0.25 C ATOM 1186 O ILE A 76 10.042 5.253 -2.122 1.00 0.28 O ATOM 1187 CB ILE A 76 8.120 4.516 -0.204 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.796 4.364 0.541 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.265 3.946 0.620 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.660 3.024 1.220 1.00 0.52 C ATOM 0 H ILE A 76 7.302 6.132 -2.302 1.00 0.21 H new ATOM 0 HA ILE A 76 8.430 6.536 0.375 1.00 0.23 H new ATOM 0 HB ILE A 76 8.037 3.955 -1.135 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.711 5.155 1.286 1.00 0.29 H new ATOM 0 HG13 ILE A 76 5.972 4.497 -0.160 1.00 0.29 H new ATOM 0 HG21 ILE A 76 9.053 2.906 0.866 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.190 4.002 0.046 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.373 4.522 1.539 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.700 2.972 1.734 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.716 2.231 0.474 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.466 2.899 1.943 1.00 0.52 H new ATOM 1202 N THR A 77 10.441 6.997 -0.890 1.00 0.24 N ATOM 1203 CA THR A 77 11.688 7.210 -1.452 1.00 0.26 C ATOM 1204 C THR A 77 12.719 6.701 -0.516 1.00 0.36 C ATOM 1205 O THR A 77 12.456 6.389 0.655 1.00 0.58 O ATOM 1206 CB THR A 77 11.929 8.687 -1.752 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.817 9.462 -0.555 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.937 9.181 -2.782 1.00 0.37 C ATOM 0 H THR A 77 10.185 7.664 -0.162 1.00 0.24 H new ATOM 0 HA THR A 77 11.742 6.678 -2.402 1.00 0.26 H new ATOM 0 HB THR A 77 12.937 8.799 -2.151 1.00 0.32 H new ATOM 0 HG1 THR A 77 12.709 9.614 -0.179 1.00 0.41 H new ATOM 0 HG21 THR A 77 11.120 10.236 -2.987 1.00 0.37 H new ATOM 0 HG22 THR A 77 11.052 8.608 -3.702 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.924 9.056 -2.400 1.00 0.37 H new ATOM 1216 N ASP A 78 13.854 6.604 -1.082 1.00 0.30 N ATOM 1217 CA ASP A 78 15.054 6.210 -0.412 1.00 0.45 C ATOM 1218 C ASP A 78 14.858 4.923 0.354 1.00 0.45 C ATOM 1219 O ASP A 78 14.681 4.891 1.576 1.00 0.70 O ATOM 1220 CB ASP A 78 15.490 7.284 0.510 1.00 0.61 C ATOM 1221 CG ASP A 78 15.687 8.626 -0.170 1.00 1.44 C ATOM 1222 OD1 ASP A 78 14.685 9.319 -0.437 1.00 2.12 O ATOM 1223 OD2 ASP A 78 16.848 8.986 -0.461 1.00 1.97 O ATOM 0 H ASP A 78 13.994 6.804 -2.072 1.00 0.30 H new ATOM 0 HA ASP A 78 15.823 6.041 -1.166 1.00 0.45 H new ATOM 0 HB2 ASP A 78 14.750 7.393 1.303 1.00 0.61 H new ATOM 0 HB3 ASP A 78 16.425 6.986 0.985 1.00 0.61 H new ATOM 1228 N ALA A 79 14.844 3.884 -0.407 1.00 0.37 N ATOM 1229 CA ALA A 79 14.685 2.541 0.103 1.00 0.34 C ATOM 1230 C ALA A 79 15.977 2.047 0.723 1.00 0.38 C ATOM 1231 O ALA A 79 16.965 1.814 0.027 1.00 0.40 O ATOM 1232 CB ALA A 79 14.233 1.591 -0.996 1.00 0.34 C ATOM 0 H ALA A 79 14.944 3.931 -1.421 1.00 0.37 H new ATOM 0 HA ALA A 79 13.915 2.565 0.874 1.00 0.34 H new ATOM 0 HB1 ALA A 79 14.121 0.587 -0.586 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.277 1.928 -1.398 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.977 1.576 -1.793 1.00 0.34 H new ATOM 1238 N GLN A 80 15.972 1.960 2.040 1.00 0.47 N ATOM 1239 CA GLN A 80 17.011 1.268 2.776 1.00 0.55 C ATOM 1240 C GLN A 80 17.159 -0.161 2.251 1.00 0.43 C ATOM 1241 O GLN A 80 16.163 -0.795 1.896 1.00 0.43 O ATOM 1242 CB GLN A 80 16.640 1.258 4.258 1.00 0.74 C ATOM 1243 CG GLN A 80 17.320 0.164 5.054 1.00 0.78 C ATOM 1244 CD GLN A 80 17.966 0.682 6.322 1.00 1.06 C ATOM 1245 OE1 GLN A 80 17.353 0.697 7.388 1.00 1.37 O ATOM 1246 NE2 GLN A 80 19.206 1.132 6.206 1.00 1.43 N ATOM 0 H GLN A 80 15.246 2.368 2.629 1.00 0.47 H new ATOM 0 HA GLN A 80 17.964 1.780 2.645 1.00 0.55 H new ATOM 0 HB2 GLN A 80 16.897 2.224 4.693 1.00 0.74 H new ATOM 0 HB3 GLN A 80 15.560 1.144 4.351 1.00 0.74 H new ATOM 0 HG2 GLN A 80 16.588 -0.602 5.310 1.00 0.78 H new ATOM 0 HG3 GLN A 80 18.078 -0.314 4.434 1.00 0.78 H new ATOM 0 HE21 GLN A 80 19.677 1.101 5.302 1.00 1.43 H new ATOM 0 HE22 GLN A 80 19.690 1.510 7.021 1.00 1.43 H new ATOM 1255 N PRO A 81 18.398 -0.688 2.200 1.00 0.42 N ATOM 1256 CA PRO A 81 18.675 -2.044 1.698 1.00 0.44 C ATOM 1257 C PRO A 81 17.982 -3.141 2.508 1.00 0.54 C ATOM 1258 O PRO A 81 17.995 -4.310 2.128 1.00 1.33 O ATOM 1259 CB PRO A 81 20.194 -2.176 1.825 1.00 0.50 C ATOM 1260 CG PRO A 81 20.594 -1.134 2.811 1.00 0.57 C ATOM 1261 CD PRO A 81 19.636 0.000 2.607 1.00 0.49 C ATOM 0 HA PRO A 81 18.300 -2.169 0.682 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.476 -3.172 2.168 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.685 -2.019 0.865 1.00 0.50 H new ATOM 0 HG2 PRO A 81 20.538 -1.516 3.830 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.623 -0.813 2.647 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.495 0.580 3.519 1.00 0.49 H new ATOM 0 HD3 PRO A 81 19.985 0.692 1.840 1.00 0.49 H new ATOM 1269 N ALA A 82 17.386 -2.758 3.624 1.00 0.81 N ATOM 1270 CA ALA A 82 16.663 -3.692 4.462 1.00 0.88 C ATOM 1271 C ALA A 82 15.156 -3.488 4.334 1.00 0.77 C ATOM 1272 O ALA A 82 14.387 -4.040 5.113 1.00 0.91 O ATOM 1273 CB ALA A 82 17.103 -3.541 5.912 1.00 1.12 C ATOM 0 H ALA A 82 17.390 -1.799 3.971 1.00 0.81 H new ATOM 0 HA ALA A 82 16.893 -4.704 4.128 1.00 0.88 H new ATOM 0 HB1 ALA A 82 16.554 -4.247 6.534 1.00 1.12 H new ATOM 0 HB2 ALA A 82 18.171 -3.742 5.991 1.00 1.12 H new ATOM 0 HB3 ALA A 82 16.899 -2.525 6.250 1.00 1.12 H new ATOM 1279 N PHE A 83 14.728 -2.709 3.341 1.00 0.64 N ATOM 1280 CA PHE A 83 13.318 -2.428 3.163 1.00 0.68 C ATOM 1281 C PHE A 83 12.711 -3.336 2.123 1.00 0.76 C ATOM 1282 O PHE A 83 11.512 -3.227 1.890 1.00 1.24 O ATOM 1283 CB PHE A 83 13.121 -0.978 2.731 1.00 0.74 C ATOM 1284 CG PHE A 83 12.869 0.021 3.839 1.00 0.70 C ATOM 1285 CD1 PHE A 83 12.423 -0.362 5.106 1.00 0.80 C ATOM 1286 CD2 PHE A 83 13.076 1.372 3.595 1.00 0.75 C ATOM 1287 CE1 PHE A 83 12.201 0.586 6.087 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.852 2.316 4.573 1.00 0.83 C ATOM 1289 CZ PHE A 83 12.416 1.923 5.821 1.00 0.88 C ATOM 0 H PHE A 83 15.340 -2.267 2.655 1.00 0.64 H new ATOM 0 HA PHE A 83 12.822 -2.601 4.118 1.00 0.68 H new ATOM 0 HB2 PHE A 83 14.006 -0.662 2.179 1.00 0.74 H new ATOM 0 HB3 PHE A 83 12.282 -0.938 2.037 1.00 0.74 H new ATOM 0 HD1 PHE A 83 12.250 -1.406 5.321 1.00 0.80 H new ATOM 0 HD2 PHE A 83 13.419 1.689 2.621 1.00 0.75 H new ATOM 0 HE1 PHE A 83 11.858 0.280 7.064 1.00 0.90 H new ATOM 0 HE2 PHE A 83 13.018 3.362 4.363 1.00 0.83 H new ATOM 0 HZ PHE A 83 12.243 2.661 6.590 1.00 0.88 H new ATOM 1299 N THR A 84 13.560 -4.176 1.489 1.00 0.55 N ATOM 1300 CA THR A 84 13.165 -5.188 0.529 1.00 0.58 C ATOM 1301 C THR A 84 11.705 -5.498 0.636 1.00 0.80 C ATOM 1302 O THR A 84 11.237 -6.271 1.473 1.00 1.22 O ATOM 1303 CB THR A 84 14.003 -6.451 0.668 1.00 0.97 C ATOM 1304 OG1 THR A 84 15.393 -6.101 0.637 1.00 1.10 O ATOM 1305 CG2 THR A 84 13.681 -7.435 -0.456 1.00 1.17 C ATOM 0 H THR A 84 14.567 -4.154 1.648 1.00 0.55 H new ATOM 0 HA THR A 84 13.349 -4.780 -0.465 1.00 0.58 H new ATOM 0 HB THR A 84 13.770 -6.932 1.618 1.00 0.97 H new ATOM 0 HG1 THR A 84 15.936 -6.911 0.728 1.00 1.10 H new ATOM 0 HG21 THR A 84 14.290 -8.332 -0.340 1.00 1.17 H new ATOM 0 HG22 THR A 84 12.626 -7.705 -0.412 1.00 1.17 H new ATOM 0 HG23 THR A 84 13.898 -6.972 -1.418 1.00 1.17 H new ATOM 1313 N GLY A 85 11.044 -4.776 -0.211 1.00 0.87 N ATOM 1314 CA GLY A 85 9.642 -4.619 -0.227 1.00 1.43 C ATOM 1315 C GLY A 85 8.896 -5.850 0.043 1.00 0.96 C ATOM 1316 O GLY A 85 8.973 -6.843 -0.669 1.00 1.29 O ATOM 0 H GLY A 85 11.507 -4.251 -0.953 1.00 0.87 H new ATOM 0 HA2 GLY A 85 9.363 -3.869 0.513 1.00 1.43 H new ATOM 0 HA3 GLY A 85 9.342 -4.232 -1.201 1.00 1.43 H new ATOM 1320 N GLY A 86 8.252 -5.771 1.132 1.00 0.52 N ATOM 1321 CA GLY A 86 7.160 -6.616 1.391 1.00 0.52 C ATOM 1322 C GLY A 86 6.011 -5.789 1.884 1.00 0.40 C ATOM 1323 O GLY A 86 5.573 -5.911 3.017 1.00 0.43 O ATOM 0 H GLY A 86 8.467 -5.112 1.880 1.00 0.52 H new ATOM 0 HA2 GLY A 86 6.876 -7.153 0.486 1.00 0.52 H new ATOM 0 HA3 GLY A 86 7.431 -7.365 2.135 1.00 0.52 H new ATOM 1327 N TYR A 87 5.588 -4.881 1.041 1.00 0.34 N ATOM 1328 CA TYR A 87 4.467 -4.012 1.346 1.00 0.28 C ATOM 1329 C TYR A 87 3.185 -4.814 1.145 1.00 0.30 C ATOM 1330 O TYR A 87 2.828 -5.152 0.018 1.00 0.39 O ATOM 1331 CB TYR A 87 4.453 -2.793 0.428 1.00 0.35 C ATOM 1332 CG TYR A 87 5.737 -2.012 0.431 1.00 0.39 C ATOM 1333 CD1 TYR A 87 6.858 -2.465 -0.256 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.831 -0.816 1.116 1.00 0.47 C ATOM 1335 CE1 TYR A 87 8.033 -1.746 -0.251 1.00 0.49 C ATOM 1336 CE2 TYR A 87 7.000 -0.095 1.123 1.00 0.54 C ATOM 1337 CZ TYR A 87 8.098 -0.562 0.440 1.00 0.54 C ATOM 1338 OH TYR A 87 9.267 0.164 0.448 1.00 0.63 O ATOM 0 H TYR A 87 6.006 -4.719 0.125 1.00 0.34 H new ATOM 0 HA TYR A 87 4.551 -3.657 2.373 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.241 -3.120 -0.590 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.638 -2.134 0.728 1.00 0.35 H new ATOM 0 HD1 TYR A 87 6.807 -3.395 -0.802 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.972 -0.442 1.654 1.00 0.47 H new ATOM 0 HE1 TYR A 87 8.897 -2.111 -0.787 1.00 0.49 H new ATOM 0 HE2 TYR A 87 7.057 0.838 1.664 1.00 0.54 H new ATOM 0 HH TYR A 87 9.202 0.895 -0.201 1.00 0.63 H new ATOM 1348 N ARG A 88 2.523 -5.166 2.219 1.00 0.33 N ATOM 1349 CA ARG A 88 1.338 -6.006 2.125 1.00 0.36 C ATOM 1350 C ARG A 88 0.082 -5.188 2.369 1.00 0.36 C ATOM 1351 O ARG A 88 -0.152 -4.690 3.470 1.00 0.60 O ATOM 1352 CB ARG A 88 1.453 -7.160 3.129 1.00 0.42 C ATOM 1353 CG ARG A 88 0.199 -8.011 3.272 1.00 1.09 C ATOM 1354 CD ARG A 88 -0.052 -8.885 2.053 1.00 1.23 C ATOM 1355 NE ARG A 88 -1.133 -9.841 2.300 1.00 1.73 N ATOM 1356 CZ ARG A 88 -1.336 -10.954 1.593 1.00 2.17 C ATOM 1357 NH1 ARG A 88 -0.489 -11.299 0.630 1.00 2.11 N ATOM 1358 NH2 ARG A 88 -2.372 -11.740 1.876 1.00 3.15 N ATOM 0 H ARG A 88 2.777 -4.890 3.168 1.00 0.33 H new ATOM 0 HA ARG A 88 1.267 -6.421 1.120 1.00 0.36 H new ATOM 0 HB2 ARG A 88 2.279 -7.804 2.828 1.00 0.42 H new ATOM 0 HB3 ARG A 88 1.709 -6.749 4.105 1.00 0.42 H new ATOM 0 HG2 ARG A 88 0.291 -8.643 4.156 1.00 1.09 H new ATOM 0 HG3 ARG A 88 -0.661 -7.361 3.433 1.00 1.09 H new ATOM 0 HD2 ARG A 88 -0.306 -8.258 1.199 1.00 1.23 H new ATOM 0 HD3 ARG A 88 0.860 -9.423 1.794 1.00 1.23 H new ATOM 0 HE ARG A 88 -1.776 -9.642 3.066 1.00 1.73 H new ATOM 0 HH11 ARG A 88 0.321 -10.712 0.428 1.00 2.11 H new ATOM 0 HH12 ARG A 88 -0.648 -12.151 0.092 1.00 2.11 H new ATOM 0 HH21 ARG A 88 -3.009 -11.491 2.632 1.00 3.15 H new ATOM 0 HH22 ARG A 88 -2.529 -12.591 1.336 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.711 -5.037 1.329 1.00 0.26 N ATOM 1373 CA CYS A 89 -1.938 -4.277 1.416 1.00 0.27 C ATOM 1374 C CYS A 89 -3.119 -5.207 1.577 1.00 0.25 C ATOM 1375 O CYS A 89 -3.374 -6.034 0.710 1.00 0.31 O ATOM 1376 CB CYS A 89 -2.128 -3.455 0.155 1.00 0.39 C ATOM 1377 SG CYS A 89 -0.703 -2.443 -0.277 1.00 1.08 S ATOM 0 H CYS A 89 -0.525 -5.434 0.408 1.00 0.26 H new ATOM 0 HA CYS A 89 -1.874 -3.617 2.281 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -2.350 -4.126 -0.675 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -2.996 -2.808 0.282 1.00 0.39 H new ATOM 0 HG CYS A 89 -0.715 -1.352 0.430 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.824 -5.090 2.680 1.00 0.26 N ATOM 1384 CA GLU A 90 -5.033 -5.865 2.880 1.00 0.28 C ATOM 1385 C GLU A 90 -6.170 -4.944 3.294 1.00 0.26 C ATOM 1386 O GLU A 90 -6.100 -4.294 4.338 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.822 -6.943 3.944 1.00 0.35 C ATOM 1388 CG GLU A 90 -3.883 -8.054 3.517 1.00 1.19 C ATOM 1389 CD GLU A 90 -3.620 -9.053 4.623 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -4.459 -9.154 5.539 1.00 1.43 O ATOM 1391 OE2 GLU A 90 -2.582 -9.744 4.576 1.00 1.81 O ATOM 0 H GLU A 90 -3.584 -4.468 3.452 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.286 -6.357 1.941 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -4.429 -6.476 4.847 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -5.788 -7.377 4.204 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -4.308 -8.573 2.658 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -2.937 -7.620 3.192 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.199 -4.861 2.463 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.361 -4.058 2.798 1.00 0.22 C ATOM 1400 C VAL A 91 -9.431 -4.926 3.427 1.00 0.22 C ATOM 1401 O VAL A 91 -9.668 -6.061 3.009 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.936 -3.294 1.582 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -9.190 -4.230 0.415 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.210 -2.543 1.961 1.00 0.51 C ATOM 0 H VAL A 91 -7.252 -5.335 1.561 1.00 0.24 H new ATOM 0 HA VAL A 91 -8.031 -3.305 3.514 1.00 0.22 H new ATOM 0 HB VAL A 91 -8.191 -2.563 1.268 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.594 -3.664 -0.424 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -8.254 -4.702 0.117 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.905 -4.997 0.713 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.594 -2.014 1.089 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.959 -3.252 2.314 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -9.988 -1.826 2.751 1.00 0.51 H new ATOM 1414 N SER A 92 -10.062 -4.378 4.437 1.00 0.22 N ATOM 1415 CA SER A 92 -11.062 -5.084 5.194 1.00 0.25 C ATOM 1416 C SER A 92 -12.248 -4.165 5.386 1.00 0.26 C ATOM 1417 O SER A 92 -12.174 -3.170 6.107 1.00 0.30 O ATOM 1418 CB SER A 92 -10.490 -5.528 6.542 1.00 0.32 C ATOM 1419 OG SER A 92 -9.290 -6.262 6.363 1.00 1.18 O ATOM 0 H SER A 92 -9.894 -3.424 4.757 1.00 0.22 H new ATOM 0 HA SER A 92 -11.378 -5.980 4.660 1.00 0.25 H new ATOM 0 HB2 SER A 92 -10.298 -4.655 7.166 1.00 0.32 H new ATOM 0 HB3 SER A 92 -11.222 -6.141 7.068 1.00 0.32 H new ATOM 0 HG SER A 92 -8.940 -6.535 7.237 1.00 1.18 H new ATOM 1425 N THR A 93 -13.318 -4.476 4.696 1.00 0.28 N ATOM 1426 CA THR A 93 -14.498 -3.642 4.714 1.00 0.35 C ATOM 1427 C THR A 93 -15.729 -4.493 4.969 1.00 0.39 C ATOM 1428 O THR A 93 -15.586 -5.698 5.147 1.00 0.59 O ATOM 1429 CB THR A 93 -14.626 -2.900 3.387 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.321 -2.615 2.884 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.371 -1.597 3.564 1.00 0.57 C ATOM 0 H THR A 93 -13.397 -5.307 4.110 1.00 0.28 H new ATOM 0 HA THR A 93 -14.410 -2.910 5.517 1.00 0.35 H new ATOM 0 HB THR A 93 -15.180 -3.531 2.692 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.755 -2.284 3.612 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.448 -1.088 2.603 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.371 -1.799 3.949 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.832 -0.963 4.268 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.916 -3.848 4.944 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.233 -4.471 5.221 1.00 0.43 C ATOM 1441 C LYS A 94 -18.212 -5.987 5.307 1.00 0.42 C ATOM 1442 O LYS A 94 -18.564 -6.577 6.324 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.279 -4.041 4.165 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.739 -3.686 2.773 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.248 -4.868 1.951 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.336 -5.904 1.684 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.607 -5.303 1.186 1.00 0.65 N ATOM 0 H LYS A 94 -16.989 -2.854 4.725 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.508 -4.105 6.210 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -20.004 -4.847 4.054 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.820 -3.177 4.552 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.524 -3.176 2.215 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -17.919 -2.978 2.888 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -17.859 -4.505 1.000 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.419 -5.346 2.473 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -18.971 -6.625 0.953 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -19.537 -6.456 2.602 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -21.394 -5.597 1.799 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.528 -4.266 1.197 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.786 -5.626 0.214 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.809 -6.586 4.219 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.800 -8.009 4.064 1.00 0.40 C ATOM 1463 C ASP A 95 -16.836 -8.388 2.952 1.00 0.37 C ATOM 1464 O ASP A 95 -16.673 -9.560 2.632 1.00 0.47 O ATOM 1465 CB ASP A 95 -19.207 -8.450 3.708 1.00 0.46 C ATOM 1466 CG ASP A 95 -19.524 -9.875 4.105 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -19.207 -10.247 5.250 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -20.087 -10.619 3.285 1.00 1.05 O ATOM 0 H ASP A 95 -17.471 -6.083 3.399 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.479 -8.496 4.985 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.920 -7.782 4.192 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.349 -8.343 2.633 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.186 -7.382 2.354 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.293 -7.641 1.263 1.00 0.29 C ATOM 1475 C LYS A 96 -13.886 -7.617 1.749 1.00 0.27 C ATOM 1476 O LYS A 96 -13.512 -6.854 2.642 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.374 -6.692 0.057 1.00 0.30 C ATOM 1478 CG LYS A 96 -15.773 -7.419 -1.194 1.00 0.56 C ATOM 1479 CD LYS A 96 -14.903 -7.010 -2.360 1.00 0.82 C ATOM 1480 CE LYS A 96 -14.962 -8.027 -3.476 1.00 1.00 C ATOM 1481 NZ LYS A 96 -14.183 -7.576 -4.644 1.00 1.29 N ATOM 0 H LYS A 96 -16.272 -6.400 2.616 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.616 -8.617 0.900 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -16.095 -5.901 0.264 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.407 -6.211 -0.094 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -15.692 -8.494 -1.035 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -16.817 -7.208 -1.424 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -15.226 -6.038 -2.734 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -13.872 -6.896 -2.024 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -14.574 -8.983 -3.123 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -15.999 -8.192 -3.768 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -14.830 -7.224 -5.378 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -13.537 -6.813 -4.357 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -13.632 -8.373 -5.022 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.137 -8.465 1.139 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.736 -8.594 1.417 1.00 0.29 C ATOM 1497 C PHE A 97 -10.950 -8.677 0.127 1.00 0.32 C ATOM 1498 O PHE A 97 -11.337 -9.380 -0.807 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.494 -9.806 2.289 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.093 -9.877 2.842 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -9.766 -9.208 4.011 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -9.106 -10.605 2.190 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -8.482 -9.265 4.521 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -7.821 -10.663 2.695 1.00 0.77 C ATOM 1505 CZ PHE A 97 -7.509 -9.992 3.861 1.00 0.74 C ATOM 0 H PHE A 97 -13.478 -9.103 0.420 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.394 -7.712 1.958 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.203 -9.796 3.117 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -11.694 -10.707 1.709 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -10.522 -8.636 4.529 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -9.346 -11.132 1.278 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -8.240 -8.742 5.434 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -7.062 -11.232 2.179 1.00 0.77 H new ATOM 0 HZ PHE A 97 -6.505 -10.035 4.257 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.850 -7.963 0.100 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.956 -7.927 -1.051 1.00 0.43 C ATOM 1517 C ASP A 98 -7.558 -7.557 -0.570 1.00 0.36 C ATOM 1518 O ASP A 98 -7.413 -6.919 0.477 1.00 0.36 O ATOM 1519 CB ASP A 98 -9.433 -6.914 -2.105 1.00 0.56 C ATOM 1520 CG ASP A 98 -10.473 -7.461 -3.078 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -10.130 -8.333 -3.914 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -11.652 -7.061 -2.983 1.00 1.60 O ATOM 0 H ASP A 98 -9.540 -7.383 0.880 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.949 -8.910 -1.522 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.851 -6.046 -1.595 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.570 -6.565 -2.672 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.531 -7.956 -1.310 1.00 0.35 N ATOM 1528 CA CYS A 99 -5.158 -7.728 -0.868 1.00 0.30 C ATOM 1529 C CYS A 99 -4.173 -7.697 -2.032 1.00 0.32 C ATOM 1530 O CYS A 99 -4.426 -8.277 -3.092 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.760 -8.806 0.141 1.00 0.34 C ATOM 1532 SG CYS A 99 -5.069 -10.498 -0.420 1.00 1.19 S ATOM 0 H CYS A 99 -6.618 -8.433 -2.207 1.00 0.35 H new ATOM 0 HA CYS A 99 -5.118 -6.747 -0.394 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -3.700 -8.699 0.370 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -5.306 -8.638 1.070 1.00 0.34 H new ATOM 0 HG CYS A 99 -4.697 -11.336 0.502 1.00 1.19 H new ATOM 1538 N SER A 100 -3.056 -7.002 -1.829 1.00 0.27 N ATOM 1539 CA SER A 100 -2.017 -6.898 -2.854 1.00 0.30 C ATOM 1540 C SER A 100 -0.622 -7.177 -2.298 1.00 0.31 C ATOM 1541 O SER A 100 -0.331 -6.898 -1.131 1.00 0.42 O ATOM 1542 CB SER A 100 -2.043 -5.509 -3.481 1.00 0.38 C ATOM 1543 OG SER A 100 -1.817 -4.506 -2.515 1.00 0.84 O ATOM 0 H SER A 100 -2.846 -6.502 -0.965 1.00 0.27 H new ATOM 0 HA SER A 100 -2.232 -7.656 -3.607 1.00 0.30 H new ATOM 0 HB2 SER A 100 -1.283 -5.445 -4.260 1.00 0.38 H new ATOM 0 HB3 SER A 100 -3.007 -5.343 -3.962 1.00 0.38 H new ATOM 0 HG SER A 100 -1.236 -3.813 -2.893 1.00 0.84 H new ATOM 1549 N ASN A 101 0.223 -7.747 -3.146 1.00 0.34 N ATOM 1550 CA ASN A 101 1.621 -7.954 -2.821 1.00 0.37 C ATOM 1551 C ASN A 101 2.475 -6.822 -3.380 1.00 0.42 C ATOM 1552 O ASN A 101 2.178 -6.269 -4.438 1.00 0.65 O ATOM 1553 CB ASN A 101 2.119 -9.293 -3.385 1.00 0.60 C ATOM 1554 CG ASN A 101 1.933 -9.415 -4.890 1.00 0.97 C ATOM 1555 OD1 ASN A 101 0.900 -9.899 -5.357 1.00 1.58 O ATOM 1556 ND2 ASN A 101 2.921 -8.983 -5.659 1.00 1.05 N ATOM 0 H ASN A 101 -0.043 -8.077 -4.074 1.00 0.34 H new ATOM 0 HA ASN A 101 1.711 -7.969 -1.735 1.00 0.37 H new ATOM 0 HB2 ASN A 101 3.176 -9.410 -3.145 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.588 -10.108 -2.892 1.00 0.60 H new ATOM 0 HD21 ASN A 101 2.842 -9.045 -6.674 1.00 1.05 H new ATOM 0 HD22 ASN A 101 3.761 -8.588 -5.236 1.00 1.05 H new ATOM 1563 N PHE A 102 3.508 -6.467 -2.637 1.00 0.31 N ATOM 1564 CA PHE A 102 4.515 -5.521 -3.093 1.00 0.38 C ATOM 1565 C PHE A 102 5.901 -6.002 -2.710 1.00 0.30 C ATOM 1566 O PHE A 102 6.276 -5.882 -1.543 1.00 0.37 O ATOM 1567 CB PHE A 102 4.363 -4.219 -2.373 1.00 0.57 C ATOM 1568 CG PHE A 102 3.512 -3.139 -2.941 1.00 0.46 C ATOM 1569 CD1 PHE A 102 3.843 -2.524 -4.118 1.00 0.61 C ATOM 1570 CD2 PHE A 102 2.443 -2.653 -2.209 1.00 0.59 C ATOM 1571 CE1 PHE A 102 3.125 -1.434 -4.556 1.00 0.84 C ATOM 1572 CE2 PHE A 102 1.719 -1.585 -2.648 1.00 0.74 C ATOM 1573 CZ PHE A 102 2.066 -0.964 -3.814 1.00 0.86 C ATOM 0 H PHE A 102 3.674 -6.827 -1.697 1.00 0.31 H new ATOM 0 HA PHE A 102 4.391 -5.421 -4.171 1.00 0.38 H new ATOM 0 HB2 PHE A 102 3.977 -4.444 -1.379 1.00 0.57 H new ATOM 0 HB3 PHE A 102 5.363 -3.805 -2.241 1.00 0.57 H new ATOM 0 HD1 PHE A 102 4.670 -2.895 -4.705 1.00 0.61 H new ATOM 0 HD2 PHE A 102 2.178 -3.127 -1.276 1.00 0.59 H new ATOM 0 HE1 PHE A 102 3.393 -0.948 -5.482 1.00 0.84 H new ATOM 0 HE2 PHE A 102 0.874 -1.231 -2.076 1.00 0.74 H new ATOM 0 HZ PHE A 102 1.509 -0.104 -4.154 1.00 0.86 H new ATOM 1583 N ASN A 103 6.674 -6.536 -3.623 1.00 0.24 N ATOM 1584 CA ASN A 103 8.048 -6.794 -3.299 1.00 0.25 C ATOM 1585 C ASN A 103 8.989 -5.806 -3.953 1.00 0.28 C ATOM 1586 O ASN A 103 9.218 -5.827 -5.159 1.00 0.49 O ATOM 1587 CB ASN A 103 8.479 -8.216 -3.607 1.00 0.33 C ATOM 1588 CG ASN A 103 7.563 -8.982 -4.522 1.00 1.08 C ATOM 1589 OD1 ASN A 103 6.556 -9.551 -4.088 1.00 2.11 O ATOM 1590 ND2 ASN A 103 7.940 -9.069 -5.774 1.00 1.25 N ATOM 0 H ASN A 103 6.385 -6.793 -4.567 1.00 0.24 H new ATOM 0 HA ASN A 103 8.113 -6.663 -2.219 1.00 0.25 H new ATOM 0 HB2 ASN A 103 9.472 -8.188 -4.055 1.00 0.33 H new ATOM 0 HB3 ASN A 103 8.568 -8.763 -2.668 1.00 0.33 H new ATOM 0 HD21 ASN A 103 7.394 -9.624 -6.434 1.00 1.25 H new ATOM 0 HD22 ASN A 103 8.779 -8.582 -6.089 1.00 1.25 H new ATOM 1597 N LEU A 104 9.566 -4.978 -3.114 1.00 0.23 N ATOM 1598 CA LEU A 104 10.501 -3.935 -3.560 1.00 0.24 C ATOM 1599 C LEU A 104 11.934 -4.416 -3.377 1.00 0.25 C ATOM 1600 O LEU A 104 12.452 -4.511 -2.272 1.00 0.37 O ATOM 1601 CB LEU A 104 10.284 -2.570 -2.843 1.00 0.27 C ATOM 1602 CG LEU A 104 11.549 -1.861 -2.390 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.664 -0.531 -3.097 1.00 0.28 C ATOM 1604 CD2 LEU A 104 11.605 -1.665 -0.882 1.00 0.30 C ATOM 0 H LEU A 104 9.411 -4.996 -2.106 1.00 0.23 H new ATOM 0 HA LEU A 104 10.303 -3.757 -4.617 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.739 -1.908 -3.516 1.00 0.27 H new ATOM 0 HB3 LEU A 104 9.648 -2.733 -1.973 1.00 0.27 H new ATOM 0 HG LEU A 104 12.394 -2.498 -2.654 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.572 -0.023 -2.771 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.706 -0.694 -4.174 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.798 0.085 -2.857 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.530 -1.154 -0.616 1.00 0.30 H new ATOM 0 HD22 LEU A 104 10.753 -1.065 -0.561 1.00 0.30 H new ATOM 0 HD23 LEU A 104 11.572 -2.636 -0.387 1.00 0.30 H new ATOM 1616 N THR A 105 12.576 -4.731 -4.466 1.00 0.23 N ATOM 1617 CA THR A 105 13.936 -5.207 -4.405 1.00 0.24 C ATOM 1618 C THR A 105 14.883 -4.026 -4.337 1.00 0.21 C ATOM 1619 O THR A 105 15.199 -3.413 -5.353 1.00 0.22 O ATOM 1620 CB THR A 105 14.295 -6.082 -5.610 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.227 -7.004 -5.874 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.579 -6.851 -5.335 1.00 0.32 C ATOM 0 H THR A 105 12.185 -4.668 -5.406 1.00 0.23 H new ATOM 0 HA THR A 105 14.032 -5.822 -3.510 1.00 0.24 H new ATOM 0 HB THR A 105 14.444 -5.442 -6.480 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.459 -7.561 -6.646 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.825 -7.470 -6.198 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.391 -6.148 -5.149 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.442 -7.487 -4.460 1.00 0.32 H new ATOM 1630 N VAL A 106 15.286 -3.689 -3.127 1.00 0.23 N ATOM 1631 CA VAL A 106 16.228 -2.627 -2.905 1.00 0.23 C ATOM 1632 C VAL A 106 17.631 -3.147 -3.155 1.00 0.25 C ATOM 1633 O VAL A 106 18.157 -4.012 -2.456 1.00 0.28 O ATOM 1634 CB VAL A 106 16.120 -1.995 -1.494 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.173 -3.047 -0.416 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.195 -0.936 -1.307 1.00 0.33 C ATOM 0 H VAL A 106 14.965 -4.148 -2.275 1.00 0.23 H new ATOM 0 HA VAL A 106 15.991 -1.827 -3.606 1.00 0.23 H new ATOM 0 HB VAL A 106 15.150 -1.506 -1.408 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.095 -2.571 0.561 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.346 -3.744 -0.547 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.117 -3.588 -0.482 1.00 0.31 H new ATOM 0 HG21 VAL A 106 17.107 -0.500 -0.312 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.179 -1.392 -1.418 1.00 0.33 H new ATOM 0 HG23 VAL A 106 17.071 -0.155 -2.057 1.00 0.33 H new ATOM 1646 N HIS A 107 18.187 -2.620 -4.193 1.00 0.26 N ATOM 1647 CA HIS A 107 19.495 -3.001 -4.673 1.00 0.31 C ATOM 1648 C HIS A 107 20.576 -2.321 -3.869 1.00 0.34 C ATOM 1649 O HIS A 107 20.888 -1.145 -4.070 1.00 0.36 O ATOM 1650 CB HIS A 107 19.657 -2.646 -6.149 1.00 0.36 C ATOM 1651 CG HIS A 107 19.012 -3.616 -7.079 1.00 0.43 C ATOM 1652 ND1 HIS A 107 19.417 -3.778 -8.381 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.988 -4.479 -6.893 1.00 0.70 C ATOM 1654 CE1 HIS A 107 18.671 -4.694 -8.959 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.798 -5.141 -8.078 1.00 0.53 N ATOM 0 H HIS A 107 17.742 -1.893 -4.753 1.00 0.26 H new ATOM 0 HA HIS A 107 19.590 -4.081 -4.557 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.235 -1.656 -6.323 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.720 -2.585 -6.383 1.00 0.36 H new ATOM 0 HD2 HIS A 107 17.425 -4.620 -5.982 1.00 0.70 H new ATOM 0 HE1 HIS A 107 18.759 -5.025 -9.983 1.00 1.10 H new ATOM 0 HE2 HIS A 107 17.096 -5.861 -8.250 1.00 0.53 H new ATOM 1664 N GLU A 108 21.114 -3.069 -2.947 1.00 0.45 N ATOM 1665 CA GLU A 108 22.269 -2.634 -2.182 1.00 0.56 C ATOM 1666 C GLU A 108 23.526 -2.703 -3.040 1.00 0.71 C ATOM 1667 O GLU A 108 23.835 -3.744 -3.619 1.00 1.33 O ATOM 1668 CB GLU A 108 22.445 -3.493 -0.927 1.00 0.71 C ATOM 1669 CG GLU A 108 23.530 -2.973 0.003 1.00 0.87 C ATOM 1670 CD GLU A 108 23.862 -3.929 1.132 1.00 1.20 C ATOM 1671 OE1 GLU A 108 24.730 -4.803 0.931 1.00 1.67 O ATOM 1672 OE2 GLU A 108 23.278 -3.793 2.227 1.00 1.66 O ATOM 0 H GLU A 108 20.772 -3.997 -2.698 1.00 0.45 H new ATOM 0 HA GLU A 108 22.104 -1.602 -1.874 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.500 -3.534 -0.386 1.00 0.71 H new ATOM 0 HB3 GLU A 108 22.687 -4.514 -1.223 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.433 -2.779 -0.576 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.211 -2.020 0.425 1.00 0.87 H new