USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 814 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 67 TYR OH : rot 152:sc= -0.741 USER MOD Set 1.2: A 80 MET CE :methyl -137:sc= -0.825 (180deg=-2.18!) USER MOD Set 2.1: A 19 THR OG1 : rot -170:sc= -4.12! USER MOD Set 2.2: A 31 ASN : amide:sc= -10.2! C(o=-14!,f=-26!) USER MOD Set 3.1: A 17 CYS SG : rot 180:sc= -2.39 USER MOD Set 3.2: A 28 THR OG1 : rot 159:sc= -0.207 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -154:sc= 0.08 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -135:sc= -0.0746 (180deg=-0.586) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.113 USER MOD Single : A 15 SER OG : rot -81:sc= 1.01 USER MOD Single : A 16 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.067) USER MOD Single : A 18 HIS : no HE2:sc= -0.46 X(o=-0.46,f=-0.38) USER MOD Single : A 25 LYS NZ :NH3+ 141:sc= -0.909 (180deg=-1.39) USER MOD Single : A 26 HIS : no HD1:sc= -4.59! C(o=-4.6!,f=-4.6!) USER MOD Single : A 27 LYS NZ :NH3+ -117:sc= -1.37 (180deg=-6!) USER MOD Single : A 33 HIS : no HD1:sc= -0.496 K(o=-0.5,f=-1.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 57:sc= -0.0848 USER MOD Single : A 42 GLN : amide:sc= -1.24 X(o=-1.2,f=-0.94) USER MOD Single : A 46 TYR OH : rot 154:sc= 1.21 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -1.94 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.859 USER MOD Single : A 52 ASN :FLIP amide:sc= -0.0834 F(o=-1.3,f=-0.083) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -1.84 K(o=-1.8,f=-3.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -110:sc= -0.636 USER MOD Single : A 65 MET CE :methyl 144:sc= -2.75 (180deg=-3.18!) USER MOD Single : A 70 ASN : amide:sc= -1.66 K(o=-1.7,f=-3.1) USER MOD Single : A 72 LYS NZ :NH3+ 158:sc= -0.0753 (180deg=-0.537) USER MOD Single : A 73 LYS NZ :NH3+ 172:sc= -3.12! (180deg=-3.37) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 155:sc= -6.66! (180deg=-8.35!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 161:sc= -0.0614 (180deg=-0.521) USER MOD Single : A 100 LYS NZ :NH3+ 146:sc= -0.258 (180deg=-1.49!) USER MOD Single : A 102 THR OG1 : rot -92:sc= 1.04 USER MOD Single : A 103 ASN : amide:sc= -0.932 K(o=-0.93,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.600 0.745 -1.519 1.00 24.45 N ATOM 2 CA GLY A 1 1.716 0.299 -2.336 1.00 4.32 C ATOM 3 C GLY A 1 1.468 -1.106 -2.888 1.00 34.12 C ATOM 4 O GLY A 1 1.697 -2.098 -2.197 1.00 52.20 O ATOM 0 H1 GLY A 1 0.794 1.701 -1.157 1.00 24.45 H new ATOM 0 H2 GLY A 1 -0.266 0.762 -2.094 1.00 24.45 H new ATOM 0 H3 GLY A 1 0.472 0.092 -0.720 1.00 24.45 H new ATOM 0 HA2 GLY A 1 1.868 0.995 -3.161 1.00 4.32 H new ATOM 0 HA3 GLY A 1 2.630 0.304 -1.742 1.00 4.32 H new ATOM 8 N ASP A 2 1.001 -1.147 -4.126 1.00 42.55 N ATOM 9 CA ASP A 2 0.717 -2.414 -4.779 1.00 3.31 C ATOM 10 C ASP A 2 2.035 -3.112 -5.120 1.00 4.41 C ATOM 11 O ASP A 2 2.939 -2.498 -5.685 1.00 51.34 O ATOM 12 CB ASP A 2 -0.057 -2.203 -6.081 1.00 52.41 C ATOM 13 CG ASP A 2 -1.550 -1.916 -5.905 1.00 63.04 C ATOM 14 OD1 ASP A 2 -2.305 -1.839 -6.887 1.00 4.01 O ATOM 15 OD2 ASP A 2 -1.937 -1.766 -4.684 1.00 63.42 O1- ATOM 0 H ASP A 2 0.812 -0.322 -4.696 1.00 42.55 H new ATOM 0 HA ASP A 2 0.117 -3.017 -4.098 1.00 3.31 H new ATOM 0 HB2 ASP A 2 0.396 -1.374 -6.625 1.00 52.41 H new ATOM 0 HB3 ASP A 2 0.056 -3.092 -6.702 1.00 52.41 H new ATOM 21 N VAL A 3 2.103 -4.387 -4.764 1.00 75.13 N ATOM 22 CA VAL A 3 3.295 -5.175 -5.026 1.00 75.34 C ATOM 23 C VAL A 3 3.320 -5.578 -6.503 1.00 13.43 C ATOM 24 O VAL A 3 4.367 -5.522 -7.146 1.00 74.44 O ATOM 25 CB VAL A 3 3.348 -6.375 -4.078 1.00 52.14 C ATOM 26 CG1 VAL A 3 2.781 -6.012 -2.704 1.00 34.45 C ATOM 27 CG2 VAL A 3 2.613 -7.578 -4.674 1.00 44.44 C ATOM 0 H VAL A 3 1.351 -4.894 -4.296 1.00 75.13 H new ATOM 0 HA VAL A 3 4.192 -4.586 -4.834 1.00 75.34 H new ATOM 0 HB VAL A 3 4.394 -6.653 -3.947 1.00 52.14 H new ATOM 0 HG11 VAL A 3 2.830 -6.882 -2.049 1.00 34.45 H new ATOM 0 HG12 VAL A 3 3.365 -5.199 -2.272 1.00 34.45 H new ATOM 0 HG13 VAL A 3 1.743 -5.696 -2.811 1.00 34.45 H new ATOM 0 HG21 VAL A 3 2.666 -8.417 -3.980 1.00 44.44 H new ATOM 0 HG22 VAL A 3 1.569 -7.317 -4.849 1.00 44.44 H new ATOM 0 HG23 VAL A 3 3.080 -7.858 -5.618 1.00 44.44 H new ATOM 37 N GLU A 4 2.156 -5.974 -6.994 1.00 51.25 N ATOM 38 CA GLU A 4 2.032 -6.387 -8.382 1.00 54.55 C ATOM 39 C GLU A 4 2.735 -5.383 -9.299 1.00 41.14 C ATOM 40 O GLU A 4 3.436 -5.774 -10.231 1.00 54.03 O ATOM 41 CB GLU A 4 0.562 -6.551 -8.776 1.00 30.12 C ATOM 42 CG GLU A 4 -0.035 -7.812 -8.149 1.00 30.34 C ATOM 43 CD GLU A 4 0.201 -9.033 -9.040 1.00 64.34 C ATOM 44 OE1 GLU A 4 1.132 -9.813 -8.790 1.00 52.43 O ATOM 45 OE2 GLU A 4 -0.624 -9.158 -10.024 1.00 73.12 O1- ATOM 0 H GLU A 4 1.290 -6.018 -6.456 1.00 51.25 H new ATOM 0 HA GLU A 4 2.516 -7.357 -8.497 1.00 54.55 H new ATOM 0 HB2 GLU A 4 -0.004 -5.677 -8.454 1.00 30.12 H new ATOM 0 HB3 GLU A 4 0.476 -6.604 -9.861 1.00 30.12 H new ATOM 0 HG2 GLU A 4 0.411 -7.981 -7.169 1.00 30.34 H new ATOM 0 HG3 GLU A 4 -1.105 -7.673 -7.993 1.00 30.34 H new ATOM 53 N LYS A 5 2.525 -4.109 -9.001 1.00 75.51 N ATOM 54 CA LYS A 5 3.130 -3.047 -9.787 1.00 13.03 C ATOM 55 C LYS A 5 4.652 -3.185 -9.734 1.00 44.51 C ATOM 56 O LYS A 5 5.339 -2.899 -10.714 1.00 62.31 O ATOM 57 CB LYS A 5 2.619 -1.681 -9.325 1.00 32.11 C ATOM 58 CG LYS A 5 1.283 -1.342 -9.988 1.00 40.51 C ATOM 59 CD LYS A 5 0.295 -2.503 -9.856 1.00 51.43 C ATOM 60 CE LYS A 5 -1.119 -2.065 -10.241 1.00 34.33 C ATOM 61 NZ LYS A 5 -1.272 -2.039 -11.712 1.00 61.11 N1+ ATOM 0 H LYS A 5 1.944 -3.788 -8.226 1.00 75.51 H new ATOM 0 HA LYS A 5 2.838 -3.133 -10.834 1.00 13.03 H new ATOM 0 HB2 LYS A 5 2.502 -1.680 -8.241 1.00 32.11 H new ATOM 0 HB3 LYS A 5 3.354 -0.913 -9.567 1.00 32.11 H new ATOM 0 HG2 LYS A 5 0.862 -0.447 -9.529 1.00 40.51 H new ATOM 0 HG3 LYS A 5 1.443 -1.114 -11.042 1.00 40.51 H new ATOM 0 HD2 LYS A 5 0.611 -3.328 -10.494 1.00 51.43 H new ATOM 0 HD3 LYS A 5 0.298 -2.874 -8.831 1.00 51.43 H new ATOM 0 HE2 LYS A 5 -1.849 -2.748 -9.806 1.00 34.33 H new ATOM 0 HE3 LYS A 5 -1.324 -1.076 -9.831 1.00 34.33 H new ATOM 0 HZ1 LYS A 5 -2.238 -1.740 -11.955 1.00 61.11 H new ATOM 0 HZ2 LYS A 5 -0.589 -1.370 -12.120 1.00 61.11 H new ATOM 0 HZ3 LYS A 5 -1.097 -2.990 -12.096 1.00 61.11 H new ATOM 74 N GLY A 6 5.136 -3.621 -8.581 1.00 33.14 N ATOM 75 CA GLY A 6 6.565 -3.801 -8.387 1.00 41.25 C ATOM 76 C GLY A 6 6.987 -5.234 -8.712 1.00 61.35 C ATOM 77 O GLY A 6 8.177 -5.548 -8.724 1.00 72.04 O ATOM 0 H GLY A 6 4.563 -3.855 -7.770 1.00 33.14 H new ATOM 0 HA2 GLY A 6 7.112 -3.104 -9.022 1.00 41.25 H new ATOM 0 HA3 GLY A 6 6.828 -3.566 -7.356 1.00 41.25 H new ATOM 81 N LYS A 7 5.990 -6.068 -8.969 1.00 54.25 N ATOM 82 CA LYS A 7 6.242 -7.461 -9.294 1.00 13.43 C ATOM 83 C LYS A 7 6.682 -7.568 -10.755 1.00 11.22 C ATOM 84 O LYS A 7 7.786 -8.028 -11.042 1.00 40.24 O ATOM 85 CB LYS A 7 5.023 -8.320 -8.954 1.00 12.01 C ATOM 86 CG LYS A 7 5.416 -9.789 -8.784 1.00 61.14 C ATOM 87 CD LYS A 7 4.501 -10.489 -7.779 1.00 21.42 C ATOM 88 CE LYS A 7 4.376 -11.982 -8.097 1.00 53.44 C ATOM 89 NZ LYS A 7 3.352 -12.204 -9.142 1.00 74.43 N1+ ATOM 0 H LYS A 7 5.005 -5.805 -8.959 1.00 54.25 H new ATOM 0 HA LYS A 7 7.058 -7.852 -8.686 1.00 13.43 H new ATOM 0 HB2 LYS A 7 4.561 -7.955 -8.037 1.00 12.01 H new ATOM 0 HB3 LYS A 7 4.278 -8.229 -9.744 1.00 12.01 H new ATOM 0 HG2 LYS A 7 5.361 -10.297 -9.747 1.00 61.14 H new ATOM 0 HG3 LYS A 7 6.450 -9.856 -8.447 1.00 61.14 H new ATOM 0 HD2 LYS A 7 4.896 -10.360 -6.771 1.00 21.42 H new ATOM 0 HD3 LYS A 7 3.514 -10.026 -7.796 1.00 21.42 H new ATOM 0 HE2 LYS A 7 5.337 -12.370 -8.433 1.00 53.44 H new ATOM 0 HE3 LYS A 7 4.108 -12.531 -7.194 1.00 53.44 H new ATOM 0 HZ1 LYS A 7 2.961 -13.163 -9.047 1.00 74.43 H new ATOM 0 HZ2 LYS A 7 2.588 -11.506 -9.034 1.00 74.43 H new ATOM 0 HZ3 LYS A 7 3.786 -12.099 -10.081 1.00 74.43 H new ATOM 102 N LYS A 8 5.795 -7.137 -11.639 1.00 45.33 N ATOM 103 CA LYS A 8 6.079 -7.178 -13.064 1.00 12.01 C ATOM 104 C LYS A 8 7.307 -6.315 -13.361 1.00 54.24 C ATOM 105 O LYS A 8 8.067 -6.607 -14.283 1.00 40.24 O ATOM 106 CB LYS A 8 4.839 -6.782 -13.869 1.00 14.42 C ATOM 107 CG LYS A 8 3.719 -7.809 -13.692 1.00 34.03 C ATOM 108 CD LYS A 8 3.901 -8.988 -14.650 1.00 33.34 C ATOM 109 CE LYS A 8 2.878 -10.089 -14.365 1.00 60.43 C ATOM 110 NZ LYS A 8 3.044 -10.607 -12.989 1.00 31.43 N1+ ATOM 0 H LYS A 8 4.880 -6.758 -11.397 1.00 45.33 H new ATOM 0 HA LYS A 8 6.321 -8.194 -13.375 1.00 12.01 H new ATOM 0 HB2 LYS A 8 4.491 -5.800 -13.548 1.00 14.42 H new ATOM 0 HB3 LYS A 8 5.098 -6.699 -14.925 1.00 14.42 H new ATOM 0 HG2 LYS A 8 3.710 -8.169 -12.663 1.00 34.03 H new ATOM 0 HG3 LYS A 8 2.754 -7.335 -13.872 1.00 34.03 H new ATOM 0 HD2 LYS A 8 3.794 -8.645 -15.679 1.00 33.34 H new ATOM 0 HD3 LYS A 8 4.910 -9.389 -14.551 1.00 33.34 H new ATOM 0 HE2 LYS A 8 1.869 -9.698 -14.493 1.00 60.43 H new ATOM 0 HE3 LYS A 8 2.999 -10.901 -15.082 1.00 60.43 H new ATOM 0 HZ1 LYS A 8 3.006 -11.646 -13.002 1.00 31.43 H new ATOM 0 HZ2 LYS A 8 3.962 -10.299 -12.610 1.00 31.43 H new ATOM 0 HZ3 LYS A 8 2.280 -10.241 -12.386 1.00 31.43 H new ATOM 123 N ILE A 9 7.462 -5.269 -12.563 1.00 72.22 N ATOM 124 CA ILE A 9 8.584 -4.361 -12.728 1.00 63.35 C ATOM 125 C ILE A 9 9.867 -5.050 -12.256 1.00 74.32 C ATOM 126 O ILE A 9 10.909 -4.936 -12.899 1.00 34.45 O ATOM 127 CB ILE A 9 8.307 -3.031 -12.025 1.00 33.41 C ATOM 128 CG1 ILE A 9 7.248 -2.223 -12.779 1.00 13.20 C ATOM 129 CG2 ILE A 9 9.598 -2.237 -11.824 1.00 10.42 C ATOM 130 CD1 ILE A 9 6.814 -0.999 -11.971 1.00 3.44 C ATOM 0 H ILE A 9 6.829 -5.030 -11.800 1.00 72.22 H new ATOM 0 HA ILE A 9 8.722 -4.115 -13.781 1.00 63.35 H new ATOM 0 HB ILE A 9 7.905 -3.245 -11.035 1.00 33.41 H new ATOM 0 HG12 ILE A 9 7.646 -1.905 -13.742 1.00 13.20 H new ATOM 0 HG13 ILE A 9 6.383 -2.853 -12.984 1.00 13.20 H new ATOM 0 HG21 ILE A 9 9.372 -1.296 -11.322 1.00 10.42 H new ATOM 0 HG22 ILE A 9 10.290 -2.817 -11.214 1.00 10.42 H new ATOM 0 HG23 ILE A 9 10.053 -2.031 -12.793 1.00 10.42 H new ATOM 0 HD11 ILE A 9 6.061 -0.443 -12.529 1.00 3.44 H new ATOM 0 HD12 ILE A 9 6.394 -1.322 -11.018 1.00 3.44 H new ATOM 0 HD13 ILE A 9 7.677 -0.359 -11.788 1.00 3.44 H new ATOM 142 N PHE A 10 9.746 -5.750 -11.137 1.00 22.51 N ATOM 143 CA PHE A 10 10.882 -6.457 -10.572 1.00 30.30 C ATOM 144 C PHE A 10 11.347 -7.581 -11.501 1.00 54.03 C ATOM 145 O PHE A 10 12.465 -8.076 -11.371 1.00 62.33 O ATOM 146 CB PHE A 10 10.415 -7.067 -9.248 1.00 71.01 C ATOM 147 CG PHE A 10 11.307 -8.200 -8.736 1.00 62.01 C ATOM 148 CD1 PHE A 10 12.525 -7.918 -8.200 1.00 53.24 C ATOM 149 CD2 PHE A 10 10.882 -9.489 -8.816 1.00 65.44 C ATOM 150 CE1 PHE A 10 13.352 -8.969 -7.725 1.00 45.31 C ATOM 151 CE2 PHE A 10 11.710 -10.541 -8.341 1.00 63.41 C ATOM 152 CZ PHE A 10 12.928 -10.258 -7.806 1.00 72.24 C ATOM 0 H PHE A 10 8.879 -5.842 -10.607 1.00 22.51 H new ATOM 0 HA PHE A 10 11.716 -5.769 -10.433 1.00 30.30 H new ATOM 0 HB2 PHE A 10 10.373 -6.282 -8.493 1.00 71.01 H new ATOM 0 HB3 PHE A 10 9.400 -7.445 -9.372 1.00 71.01 H new ATOM 0 HD1 PHE A 10 12.863 -6.894 -8.136 1.00 53.24 H new ATOM 0 HD2 PHE A 10 9.915 -9.713 -9.241 1.00 65.44 H new ATOM 0 HE1 PHE A 10 14.319 -8.745 -7.299 1.00 45.31 H new ATOM 0 HE2 PHE A 10 11.373 -11.565 -8.405 1.00 63.41 H new ATOM 0 HZ PHE A 10 13.558 -11.057 -7.446 1.00 72.24 H new ATOM 162 N ILE A 11 10.463 -7.951 -12.418 1.00 5.51 N ATOM 163 CA ILE A 11 10.770 -9.006 -13.369 1.00 1.20 C ATOM 164 C ILE A 11 11.519 -8.410 -14.562 1.00 50.30 C ATOM 165 O ILE A 11 12.636 -8.825 -14.868 1.00 63.10 O ATOM 166 CB ILE A 11 9.498 -9.762 -13.757 1.00 12.30 C ATOM 167 CG1 ILE A 11 8.979 -10.598 -12.585 1.00 73.50 C ATOM 168 CG2 ILE A 11 9.725 -10.609 -15.010 1.00 74.44 C ATOM 169 CD1 ILE A 11 7.774 -11.442 -13.006 1.00 31.21 C ATOM 0 H ILE A 11 9.536 -7.539 -12.522 1.00 5.51 H new ATOM 0 HA ILE A 11 11.429 -9.747 -12.917 1.00 1.20 H new ATOM 0 HB ILE A 11 8.726 -9.032 -13.998 1.00 12.30 H new ATOM 0 HG12 ILE A 11 9.773 -11.248 -12.218 1.00 73.50 H new ATOM 0 HG13 ILE A 11 8.698 -9.942 -11.761 1.00 73.50 H new ATOM 0 HG21 ILE A 11 8.805 -11.136 -15.264 1.00 74.44 H new ATOM 0 HG22 ILE A 11 10.014 -9.963 -15.839 1.00 74.44 H new ATOM 0 HG23 ILE A 11 10.518 -11.333 -14.821 1.00 74.44 H new ATOM 0 HD11 ILE A 11 7.424 -12.027 -12.155 1.00 31.21 H new ATOM 0 HD12 ILE A 11 6.973 -10.787 -13.350 1.00 31.21 H new ATOM 0 HD13 ILE A 11 8.065 -12.114 -13.813 1.00 31.21 H new ATOM 181 N MET A 12 10.874 -7.446 -15.203 1.00 24.33 N ATOM 182 CA MET A 12 11.466 -6.790 -16.357 1.00 1.20 C ATOM 183 C MET A 12 12.741 -6.038 -15.966 1.00 33.53 C ATOM 184 O MET A 12 13.494 -5.595 -16.830 1.00 42.35 O ATOM 185 CB MET A 12 10.459 -5.808 -16.958 1.00 60.40 C ATOM 186 CG MET A 12 9.452 -6.535 -17.853 1.00 23.04 C ATOM 187 SD MET A 12 8.362 -5.354 -18.630 1.00 15.25 S ATOM 188 CE MET A 12 9.330 -4.938 -20.069 1.00 65.42 C ATOM 0 H MET A 12 9.948 -7.104 -14.946 1.00 24.33 H new ATOM 0 HA MET A 12 11.726 -7.552 -17.091 1.00 1.20 H new ATOM 0 HB2 MET A 12 9.931 -5.288 -16.159 1.00 60.40 H new ATOM 0 HB3 MET A 12 10.986 -5.050 -17.538 1.00 60.40 H new ATOM 0 HG2 MET A 12 9.979 -7.111 -18.614 1.00 23.04 H new ATOM 0 HG3 MET A 12 8.872 -7.243 -17.261 1.00 23.04 H new ATOM 0 HE1 MET A 12 8.792 -4.205 -20.670 1.00 65.42 H new ATOM 0 HE2 MET A 12 10.286 -4.519 -19.756 1.00 65.42 H new ATOM 0 HE3 MET A 12 9.505 -5.836 -20.662 1.00 65.42 H new ATOM 198 N LYS A 13 12.942 -5.918 -14.661 1.00 62.15 N ATOM 199 CA LYS A 13 14.112 -5.228 -14.145 1.00 62.04 C ATOM 200 C LYS A 13 15.014 -6.232 -13.426 1.00 3.45 C ATOM 201 O LYS A 13 16.238 -6.132 -13.495 1.00 2.42 O ATOM 202 CB LYS A 13 13.693 -4.043 -13.273 1.00 42.23 C ATOM 203 CG LYS A 13 13.018 -2.955 -14.113 1.00 64.41 C ATOM 204 CD LYS A 13 12.688 -1.729 -13.260 1.00 24.41 C ATOM 205 CE LYS A 13 11.650 -0.843 -13.952 1.00 3.12 C ATOM 206 NZ LYS A 13 12.316 0.160 -14.812 1.00 43.44 N1+ ATOM 0 H LYS A 13 12.314 -6.287 -13.946 1.00 62.15 H new ATOM 0 HA LYS A 13 14.695 -4.803 -14.962 1.00 62.04 H new ATOM 0 HB2 LYS A 13 13.010 -4.383 -12.495 1.00 42.23 H new ATOM 0 HB3 LYS A 13 14.567 -3.629 -12.771 1.00 42.23 H new ATOM 0 HG2 LYS A 13 13.674 -2.665 -14.934 1.00 64.41 H new ATOM 0 HG3 LYS A 13 12.105 -3.349 -14.559 1.00 64.41 H new ATOM 0 HD2 LYS A 13 12.309 -2.048 -12.289 1.00 24.41 H new ATOM 0 HD3 LYS A 13 13.596 -1.155 -13.075 1.00 24.41 H new ATOM 0 HE2 LYS A 13 10.980 -1.458 -14.553 1.00 3.12 H new ATOM 0 HE3 LYS A 13 11.036 -0.340 -13.205 1.00 3.12 H new ATOM 0 HZ1 LYS A 13 11.597 0.753 -15.274 1.00 43.44 H new ATOM 0 HZ2 LYS A 13 12.937 0.758 -14.231 1.00 43.44 H new ATOM 0 HZ3 LYS A 13 12.882 -0.325 -15.537 1.00 43.44 H new ATOM 219 N CYS A 14 14.375 -7.176 -12.752 1.00 12.24 N ATOM 220 CA CYS A 14 15.106 -8.197 -12.020 1.00 32.54 C ATOM 221 C CYS A 14 14.505 -9.560 -12.369 1.00 32.32 C ATOM 222 O CYS A 14 13.723 -10.114 -11.597 1.00 22.25 O ATOM 223 CB CYS A 14 15.088 -7.935 -10.513 1.00 14.53 C ATOM 224 SG CYS A 14 14.914 -6.175 -10.042 1.00 23.33 S ATOM 0 H CYS A 14 13.360 -7.256 -12.697 1.00 12.24 H new ATOM 0 HA CYS A 14 16.156 -8.177 -12.313 1.00 32.54 H new ATOM 0 HB2 CYS A 14 14.266 -8.498 -10.070 1.00 14.53 H new ATOM 0 HB3 CYS A 14 16.010 -8.323 -10.080 1.00 14.53 H new ATOM 0 HG CYS A 14 14.909 -6.071 -8.746 1.00 23.33 H new ATOM 229 N SER A 15 14.892 -10.062 -13.532 1.00 63.31 N ATOM 230 CA SER A 15 14.402 -11.350 -13.993 1.00 52.21 C ATOM 231 C SER A 15 15.566 -12.333 -14.135 1.00 14.32 C ATOM 232 O SER A 15 16.676 -11.939 -14.487 1.00 24.42 O ATOM 233 CB SER A 15 13.659 -11.212 -15.323 1.00 24.11 C ATOM 234 OG SER A 15 14.195 -10.166 -16.128 1.00 62.04 O ATOM 0 H SER A 15 15.540 -9.600 -14.170 1.00 63.31 H new ATOM 0 HA SER A 15 13.700 -11.733 -13.253 1.00 52.21 H new ATOM 0 HB2 SER A 15 13.714 -12.154 -15.869 1.00 24.11 H new ATOM 0 HB3 SER A 15 12.604 -11.017 -15.130 1.00 24.11 H new ATOM 0 HG SER A 15 13.832 -9.306 -15.831 1.00 62.04 H new ATOM 240 N GLN A 16 15.271 -13.593 -13.851 1.00 3.25 N ATOM 241 CA GLN A 16 16.280 -14.636 -13.942 1.00 0.11 C ATOM 242 C GLN A 16 17.609 -14.140 -13.369 1.00 64.21 C ATOM 243 O GLN A 16 18.677 -14.531 -13.840 1.00 52.24 O ATOM 244 CB GLN A 16 16.449 -15.111 -15.387 1.00 55.01 C ATOM 245 CG GLN A 16 15.262 -15.972 -15.823 1.00 51.45 C ATOM 246 CD GLN A 16 14.140 -15.107 -16.402 1.00 65.25 C ATOM 247 OE1 GLN A 16 13.084 -14.938 -15.816 1.00 12.42 O ATOM 248 NE2 GLN A 16 14.428 -14.569 -17.585 1.00 43.12 N ATOM 0 H GLN A 16 14.349 -13.916 -13.558 1.00 3.25 H new ATOM 0 HA GLN A 16 15.947 -15.489 -13.350 1.00 0.11 H new ATOM 0 HB2 GLN A 16 16.540 -14.250 -16.048 1.00 55.01 H new ATOM 0 HB3 GLN A 16 17.372 -15.684 -15.480 1.00 55.01 H new ATOM 0 HG2 GLN A 16 15.589 -16.697 -16.569 1.00 51.45 H new ATOM 0 HG3 GLN A 16 14.886 -16.538 -14.971 1.00 51.45 H new ATOM 0 HE21 GLN A 16 15.332 -14.751 -18.021 1.00 43.12 H new ATOM 0 HE22 GLN A 16 13.745 -13.975 -18.055 1.00 43.12 H new ATOM 257 N CYS A 17 17.501 -13.287 -12.361 1.00 41.41 N ATOM 258 CA CYS A 17 18.682 -12.734 -11.719 1.00 75.41 C ATOM 259 C CYS A 17 18.500 -12.843 -10.204 1.00 51.53 C ATOM 260 O CYS A 17 19.162 -13.649 -9.552 1.00 52.44 O ATOM 261 CB CYS A 17 18.943 -11.292 -12.161 1.00 31.53 C ATOM 262 SG CYS A 17 20.062 -11.121 -13.598 1.00 22.31 S ATOM 0 H CYS A 17 16.614 -12.965 -11.973 1.00 41.41 H new ATOM 0 HA CYS A 17 19.563 -13.302 -12.020 1.00 75.41 H new ATOM 0 HB2 CYS A 17 17.989 -10.823 -12.403 1.00 31.53 H new ATOM 0 HB3 CYS A 17 19.366 -10.740 -11.321 1.00 31.53 H new ATOM 0 HG CYS A 17 20.210 -9.862 -13.885 1.00 22.31 H new ATOM 267 N HIS A 18 17.598 -12.020 -9.687 1.00 64.33 N ATOM 268 CA HIS A 18 17.321 -12.014 -8.261 1.00 50.04 C ATOM 269 C HIS A 18 16.096 -12.885 -7.973 1.00 45.23 C ATOM 270 O HIS A 18 15.129 -12.873 -8.733 1.00 13.43 O ATOM 271 CB HIS A 18 17.166 -10.582 -7.745 1.00 30.21 C ATOM 272 CG HIS A 18 18.468 -9.826 -7.630 1.00 12.01 C ATOM 273 ND1 HIS A 18 19.300 -9.929 -6.529 1.00 53.33 N ATOM 274 CD2 HIS A 18 19.072 -8.956 -8.489 1.00 63.45 C ATOM 275 CE1 HIS A 18 20.354 -9.151 -6.728 1.00 1.34 C ATOM 276 NE2 HIS A 18 20.210 -8.549 -7.943 1.00 4.41 N ATOM 0 H HIS A 18 17.050 -11.353 -10.231 1.00 64.33 H new ATOM 0 HA HIS A 18 18.164 -12.444 -7.720 1.00 50.04 H new ATOM 0 HB2 HIS A 18 16.499 -10.037 -8.412 1.00 30.21 H new ATOM 0 HB3 HIS A 18 16.686 -10.609 -6.767 1.00 30.21 H new ATOM 0 HD1 HIS A 18 19.131 -10.506 -5.705 1.00 53.33 H new ATOM 0 HD2 HIS A 18 18.688 -8.650 -9.451 1.00 63.45 H new ATOM 0 HE1 HIS A 18 21.182 -9.017 -6.047 1.00 1.34 H new ATOM 284 N THR A 19 16.177 -13.618 -6.873 1.00 3.13 N ATOM 285 CA THR A 19 15.088 -14.494 -6.475 1.00 10.30 C ATOM 286 C THR A 19 14.434 -13.980 -5.191 1.00 53.54 C ATOM 287 O THR A 19 15.073 -13.291 -4.396 1.00 63.55 O ATOM 288 CB THR A 19 15.644 -15.913 -6.347 1.00 22.40 C ATOM 289 OG1 THR A 19 16.791 -15.764 -5.515 1.00 12.31 O ATOM 290 CG2 THR A 19 16.210 -16.441 -7.668 1.00 53.02 C ATOM 0 H THR A 19 16.980 -13.624 -6.244 1.00 3.13 H new ATOM 0 HA THR A 19 14.297 -14.507 -7.224 1.00 10.30 H new ATOM 0 HB THR A 19 14.857 -16.580 -5.995 1.00 22.40 H new ATOM 0 HG1 THR A 19 17.301 -16.601 -5.508 1.00 12.31 H new ATOM 0 HG21 THR A 19 16.592 -17.452 -7.522 1.00 53.02 H new ATOM 0 HG22 THR A 19 15.422 -16.456 -8.421 1.00 53.02 H new ATOM 0 HG23 THR A 19 17.020 -15.792 -8.002 1.00 53.02 H new ATOM 298 N VAL A 20 13.168 -14.334 -5.026 1.00 23.12 N ATOM 299 CA VAL A 20 12.420 -13.918 -3.852 1.00 24.13 C ATOM 300 C VAL A 20 11.608 -15.102 -3.324 1.00 41.42 C ATOM 301 O VAL A 20 10.732 -14.930 -2.477 1.00 25.44 O ATOM 302 CB VAL A 20 11.555 -12.701 -4.187 1.00 32.22 C ATOM 303 CG1 VAL A 20 12.360 -11.651 -4.955 1.00 62.12 C ATOM 304 CG2 VAL A 20 10.306 -13.115 -4.969 1.00 12.44 C ATOM 0 H VAL A 20 12.641 -14.905 -5.687 1.00 23.12 H new ATOM 0 HA VAL A 20 13.098 -13.609 -3.057 1.00 24.13 H new ATOM 0 HB VAL A 20 11.229 -12.252 -3.248 1.00 32.22 H new ATOM 0 HG11 VAL A 20 11.722 -10.797 -5.181 1.00 62.12 H new ATOM 0 HG12 VAL A 20 13.204 -11.323 -4.348 1.00 62.12 H new ATOM 0 HG13 VAL A 20 12.729 -12.084 -5.885 1.00 62.12 H new ATOM 0 HG21 VAL A 20 9.709 -12.232 -5.195 1.00 12.44 H new ATOM 0 HG22 VAL A 20 10.603 -13.599 -5.899 1.00 12.44 H new ATOM 0 HG23 VAL A 20 9.716 -13.809 -4.371 1.00 12.44 H new ATOM 314 N GLU A 21 11.927 -16.277 -3.846 1.00 11.10 N ATOM 315 CA GLU A 21 11.237 -17.489 -3.437 1.00 25.04 C ATOM 316 C GLU A 21 12.073 -18.254 -2.409 1.00 12.30 C ATOM 317 O GLU A 21 13.204 -18.648 -2.691 1.00 52.20 O ATOM 318 CB GLU A 21 10.915 -18.371 -4.645 1.00 44.12 C ATOM 319 CG GLU A 21 9.743 -19.306 -4.345 1.00 55.24 C ATOM 320 CD GLU A 21 9.498 -20.270 -5.507 1.00 31.53 C ATOM 321 OE1 GLU A 21 8.342 -20.615 -5.795 1.00 42.20 O ATOM 322 OE2 GLU A 21 10.562 -20.665 -6.121 1.00 50.23 O1- ATOM 0 H GLU A 21 12.654 -16.416 -4.548 1.00 11.10 H new ATOM 0 HA GLU A 21 10.292 -17.206 -2.972 1.00 25.04 H new ATOM 0 HB2 GLU A 21 10.674 -17.744 -5.503 1.00 44.12 H new ATOM 0 HB3 GLU A 21 11.793 -18.958 -4.915 1.00 44.12 H new ATOM 0 HG2 GLU A 21 9.948 -19.872 -3.436 1.00 55.24 H new ATOM 0 HG3 GLU A 21 8.844 -18.719 -4.159 1.00 55.24 H new ATOM 365 N LYS A 25 16.270 -20.416 -5.965 1.00 43.10 N ATOM 366 CA LYS A 25 17.712 -20.594 -5.922 1.00 25.50 C ATOM 367 C LYS A 25 18.393 -19.352 -6.502 1.00 31.53 C ATOM 368 O LYS A 25 17.764 -18.572 -7.215 1.00 63.34 O ATOM 369 CB LYS A 25 18.111 -21.897 -6.619 1.00 45.42 C ATOM 370 CG LYS A 25 18.291 -21.681 -8.123 1.00 33.12 C ATOM 371 CD LYS A 25 18.598 -23.002 -8.833 1.00 51.15 C ATOM 372 CE LYS A 25 17.634 -24.102 -8.385 1.00 20.45 C ATOM 373 NZ LYS A 25 16.238 -23.612 -8.415 1.00 61.34 N1+ ATOM 0 HA LYS A 25 18.054 -20.693 -4.892 1.00 25.50 H new ATOM 0 HB2 LYS A 25 19.038 -22.275 -6.189 1.00 45.42 H new ATOM 0 HB3 LYS A 25 17.347 -22.655 -6.446 1.00 45.42 H new ATOM 0 HG2 LYS A 25 17.386 -21.240 -8.542 1.00 33.12 H new ATOM 0 HG3 LYS A 25 19.101 -20.973 -8.298 1.00 33.12 H new ATOM 0 HD2 LYS A 25 18.523 -22.865 -9.912 1.00 51.15 H new ATOM 0 HD3 LYS A 25 19.624 -23.304 -8.620 1.00 51.15 H new ATOM 0 HE2 LYS A 25 17.735 -24.970 -9.037 1.00 20.45 H new ATOM 0 HE3 LYS A 25 17.889 -24.429 -7.377 1.00 20.45 H new ATOM 0 HZ1 LYS A 25 15.613 -24.367 -8.762 1.00 61.34 H new ATOM 0 HZ2 LYS A 25 15.947 -23.335 -7.456 1.00 61.34 H new ATOM 0 HZ3 LYS A 25 16.172 -22.789 -9.048 1.00 61.34 H new ATOM 386 N HIS A 26 19.669 -19.209 -6.175 1.00 35.31 N ATOM 387 CA HIS A 26 20.441 -18.076 -6.654 1.00 31.21 C ATOM 388 C HIS A 26 20.960 -18.368 -8.063 1.00 31.35 C ATOM 389 O HIS A 26 21.441 -19.467 -8.336 1.00 63.11 O ATOM 390 CB HIS A 26 21.559 -17.726 -5.670 1.00 60.42 C ATOM 391 CG HIS A 26 21.083 -17.489 -4.257 1.00 74.52 C ATOM 392 ND1 HIS A 26 21.683 -16.579 -3.406 1.00 53.11 N ATOM 393 CD2 HIS A 26 20.057 -18.054 -3.556 1.00 43.12 C ATOM 394 CE1 HIS A 26 21.040 -16.602 -2.247 1.00 4.22 C ATOM 395 NE2 HIS A 26 20.034 -17.518 -2.342 1.00 45.54 N ATOM 0 H HIS A 26 20.187 -19.859 -5.584 1.00 35.31 H new ATOM 0 HA HIS A 26 19.802 -17.195 -6.716 1.00 31.21 H new ATOM 0 HB2 HIS A 26 22.291 -18.534 -5.665 1.00 60.42 H new ATOM 0 HB3 HIS A 26 22.073 -16.832 -6.024 1.00 60.42 H new ATOM 0 HD2 HIS A 26 19.379 -18.809 -3.926 1.00 43.12 H new ATOM 0 HE1 HIS A 26 21.272 -16.001 -1.380 1.00 4.22 H new ATOM 0 HE2 HIS A 26 19.373 -17.753 -1.602 1.00 45.54 H new ATOM 403 N LYS A 27 20.845 -17.366 -8.921 1.00 43.43 N ATOM 404 CA LYS A 27 21.298 -17.501 -10.295 1.00 42.03 C ATOM 405 C LYS A 27 22.340 -16.422 -10.594 1.00 2.45 C ATOM 406 O LYS A 27 23.538 -16.702 -10.624 1.00 22.32 O ATOM 407 CB LYS A 27 20.106 -17.486 -11.255 1.00 4.12 C ATOM 408 CG LYS A 27 20.395 -18.327 -12.500 1.00 44.14 C ATOM 409 CD LYS A 27 19.097 -18.753 -13.187 1.00 74.23 C ATOM 410 CE LYS A 27 18.344 -17.541 -13.741 1.00 2.05 C ATOM 411 NZ LYS A 27 17.071 -17.962 -14.366 1.00 22.44 N1+ ATOM 0 H LYS A 27 20.444 -16.456 -8.692 1.00 43.43 H new ATOM 0 HA LYS A 27 21.786 -18.465 -10.442 1.00 42.03 H new ATOM 0 HB2 LYS A 27 19.221 -17.872 -10.748 1.00 4.12 H new ATOM 0 HB3 LYS A 27 19.883 -16.460 -11.548 1.00 4.12 H new ATOM 0 HG2 LYS A 27 21.008 -17.754 -13.196 1.00 44.14 H new ATOM 0 HG3 LYS A 27 20.970 -19.210 -12.221 1.00 44.14 H new ATOM 0 HD2 LYS A 27 19.321 -19.447 -13.997 1.00 74.23 H new ATOM 0 HD3 LYS A 27 18.464 -19.285 -12.477 1.00 74.23 H new ATOM 0 HE2 LYS A 27 18.144 -16.832 -12.938 1.00 2.05 H new ATOM 0 HE3 LYS A 27 18.963 -17.025 -14.475 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 17.090 -17.734 -15.380 1.00 22.44 H new ATOM 0 HZ2 LYS A 27 16.947 -18.987 -14.244 1.00 22.44 H new ATOM 0 HZ3 LYS A 27 16.280 -17.461 -13.913 1.00 22.44 H new ATOM 424 N THR A 28 21.848 -15.210 -10.805 1.00 45.00 N ATOM 425 CA THR A 28 22.722 -14.088 -11.100 1.00 61.12 C ATOM 426 C THR A 28 23.010 -13.289 -9.827 1.00 45.43 C ATOM 427 O THR A 28 24.115 -12.776 -9.649 1.00 2.21 O ATOM 428 CB THR A 28 22.069 -13.256 -12.205 1.00 35.30 C ATOM 429 OG1 THR A 28 21.489 -14.226 -13.073 1.00 61.25 O ATOM 430 CG2 THR A 28 23.095 -12.537 -13.082 1.00 51.31 C ATOM 0 H THR A 28 20.854 -14.981 -10.777 1.00 45.00 H new ATOM 0 HA THR A 28 23.693 -14.427 -11.461 1.00 61.12 H new ATOM 0 HB THR A 28 21.398 -12.523 -11.758 1.00 35.30 H new ATOM 0 HG1 THR A 28 20.785 -13.806 -13.609 1.00 61.25 H new ATOM 0 HG21 THR A 28 22.578 -11.961 -13.850 1.00 51.31 H new ATOM 0 HG22 THR A 28 23.693 -11.865 -12.466 1.00 51.31 H new ATOM 0 HG23 THR A 28 23.746 -13.271 -13.556 1.00 51.31 H new ATOM 438 N GLY A 29 21.998 -13.206 -8.977 1.00 10.45 N ATOM 439 CA GLY A 29 22.130 -12.478 -7.726 1.00 52.43 C ATOM 440 C GLY A 29 21.558 -13.285 -6.559 1.00 73.33 C ATOM 441 O GLY A 29 20.905 -14.307 -6.767 1.00 12.41 O ATOM 0 H GLY A 29 21.083 -13.630 -9.129 1.00 10.45 H new ATOM 0 HA2 GLY A 29 23.181 -12.257 -7.539 1.00 52.43 H new ATOM 0 HA3 GLY A 29 21.611 -11.522 -7.801 1.00 52.43 H new ATOM 445 N PRO A 30 21.829 -12.783 -5.324 1.00 64.11 N ATOM 446 CA PRO A 30 21.349 -13.446 -4.124 1.00 53.23 C ATOM 447 C PRO A 30 19.850 -13.207 -3.929 1.00 41.02 C ATOM 448 O PRO A 30 19.363 -12.095 -4.130 1.00 1.24 O ATOM 449 CB PRO A 30 22.193 -12.876 -2.996 1.00 21.01 C ATOM 450 CG PRO A 30 22.791 -11.586 -3.532 1.00 61.15 C ATOM 451 CD PRO A 30 22.599 -11.575 -5.040 1.00 30.43 C ATOM 0 HA PRO A 30 21.452 -14.530 -4.172 1.00 53.23 H new ATOM 0 HB2 PRO A 30 21.585 -12.686 -2.111 1.00 21.01 H new ATOM 0 HB3 PRO A 30 22.975 -13.576 -2.702 1.00 21.01 H new ATOM 0 HG2 PRO A 30 22.304 -10.722 -3.079 1.00 61.15 H new ATOM 0 HG3 PRO A 30 23.850 -11.523 -3.281 1.00 61.15 H new ATOM 0 HD2 PRO A 30 22.067 -10.681 -5.365 1.00 30.43 H new ATOM 0 HD3 PRO A 30 23.556 -11.584 -5.561 1.00 30.43 H new ATOM 459 N ASN A 31 19.160 -14.269 -3.539 1.00 42.21 N ATOM 460 CA ASN A 31 17.727 -14.189 -3.315 1.00 54.23 C ATOM 461 C ASN A 31 17.432 -13.061 -2.324 1.00 24.12 C ATOM 462 O ASN A 31 17.926 -13.075 -1.197 1.00 22.02 O ATOM 463 CB ASN A 31 17.189 -15.493 -2.721 1.00 1.42 C ATOM 464 CG ASN A 31 15.683 -15.622 -2.956 1.00 33.11 C ATOM 465 OD1 ASN A 31 14.886 -14.819 -2.499 1.00 34.33 O ATOM 466 ND2 ASN A 31 15.339 -16.674 -3.693 1.00 24.23 N ATOM 0 H ASN A 31 19.567 -15.189 -3.373 1.00 42.21 H new ATOM 0 HA ASN A 31 17.245 -14.004 -4.275 1.00 54.23 H new ATOM 0 HB2 ASN A 31 17.705 -16.342 -3.170 1.00 1.42 H new ATOM 0 HB3 ASN A 31 17.398 -15.523 -1.652 1.00 1.42 H new ATOM 0 HD21 ASN A 31 14.357 -16.848 -3.907 1.00 24.23 H new ATOM 0 HD22 ASN A 31 16.057 -17.307 -4.044 1.00 24.23 H new ATOM 473 N LEU A 32 16.630 -12.111 -2.779 1.00 74.54 N ATOM 474 CA LEU A 32 16.263 -10.978 -1.947 1.00 5.51 C ATOM 475 C LEU A 32 15.549 -11.482 -0.691 1.00 71.53 C ATOM 476 O LEU A 32 15.418 -10.751 0.289 1.00 22.25 O ATOM 477 CB LEU A 32 15.451 -9.962 -2.752 1.00 14.14 C ATOM 478 CG LEU A 32 16.161 -9.334 -3.953 1.00 30.32 C ATOM 479 CD1 LEU A 32 15.234 -8.373 -4.698 1.00 72.11 C ATOM 480 CD2 LEU A 32 17.465 -8.657 -3.526 1.00 23.23 C ATOM 0 H LEU A 32 16.223 -12.102 -3.714 1.00 74.54 H new ATOM 0 HA LEU A 32 17.154 -10.446 -1.614 1.00 5.51 H new ATOM 0 HB2 LEU A 32 14.544 -10.451 -3.107 1.00 14.14 H new ATOM 0 HB3 LEU A 32 15.140 -9.162 -2.080 1.00 14.14 H new ATOM 0 HG LEU A 32 16.424 -10.131 -4.649 1.00 30.32 H new ATOM 0 HD11 LEU A 32 15.764 -7.941 -5.547 1.00 72.11 H new ATOM 0 HD12 LEU A 32 14.358 -8.915 -5.055 1.00 72.11 H new ATOM 0 HD13 LEU A 32 14.918 -7.577 -4.024 1.00 72.11 H new ATOM 0 HD21 LEU A 32 17.950 -8.219 -4.398 1.00 23.23 H new ATOM 0 HD22 LEU A 32 17.247 -7.874 -2.800 1.00 23.23 H new ATOM 0 HD23 LEU A 32 18.128 -9.396 -3.075 1.00 23.23 H new ATOM 492 N HIS A 33 15.104 -12.728 -0.764 1.00 14.50 N ATOM 493 CA HIS A 33 14.405 -13.338 0.354 1.00 13.44 C ATOM 494 C HIS A 33 15.080 -12.930 1.667 1.00 62.54 C ATOM 495 O HIS A 33 14.406 -12.549 2.622 1.00 23.12 O ATOM 496 CB HIS A 33 14.319 -14.856 0.178 1.00 5.43 C ATOM 497 CG HIS A 33 13.924 -15.598 1.433 1.00 22.13 C ATOM 498 ND1 HIS A 33 14.788 -15.782 2.498 1.00 13.25 N ATOM 499 CD2 HIS A 33 12.750 -16.199 1.780 1.00 23.11 C ATOM 500 CE1 HIS A 33 14.152 -16.465 3.440 1.00 64.43 C ATOM 501 NE2 HIS A 33 12.890 -16.724 2.992 1.00 50.42 N ATOM 0 H HIS A 33 15.214 -13.331 -1.579 1.00 14.50 H new ATOM 0 HA HIS A 33 13.378 -12.975 0.386 1.00 13.44 H new ATOM 0 HB2 HIS A 33 13.597 -15.080 -0.607 1.00 5.43 H new ATOM 0 HB3 HIS A 33 15.286 -15.227 -0.163 1.00 5.43 H new ATOM 0 HD2 HIS A 33 11.858 -16.241 1.173 1.00 23.11 H new ATOM 0 HE1 HIS A 33 14.561 -16.764 4.394 1.00 64.43 H new ATOM 0 HE2 HIS A 33 12.172 -17.237 3.504 1.00 50.42 H new ATOM 509 N GLY A 34 16.402 -13.024 1.668 1.00 75.21 N ATOM 510 CA GLY A 34 17.175 -12.670 2.846 1.00 51.24 C ATOM 511 C GLY A 34 17.813 -11.289 2.688 1.00 41.32 C ATOM 512 O GLY A 34 19.011 -11.125 2.910 1.00 23.54 O ATOM 0 H GLY A 34 16.957 -13.340 0.872 1.00 75.21 H new ATOM 0 HA2 GLY A 34 16.530 -12.678 3.725 1.00 51.24 H new ATOM 0 HA3 GLY A 34 17.952 -13.416 3.014 1.00 51.24 H new ATOM 516 N LEU A 35 16.983 -10.329 2.305 1.00 32.14 N ATOM 517 CA LEU A 35 17.452 -8.967 2.114 1.00 14.33 C ATOM 518 C LEU A 35 17.349 -8.207 3.438 1.00 14.32 C ATOM 519 O LEU A 35 18.356 -7.975 4.105 1.00 23.33 O ATOM 520 CB LEU A 35 16.699 -8.298 0.961 1.00 1.34 C ATOM 521 CG LEU A 35 16.895 -6.787 0.820 1.00 70.13 C ATOM 522 CD1 LEU A 35 18.287 -6.463 0.275 1.00 23.22 C ATOM 523 CD2 LEU A 35 15.787 -6.168 -0.035 1.00 20.03 C ATOM 0 H LEU A 35 15.989 -10.468 2.122 1.00 32.14 H new ATOM 0 HA LEU A 35 18.503 -8.963 1.824 1.00 14.33 H new ATOM 0 HB2 LEU A 35 17.006 -8.773 0.029 1.00 1.34 H new ATOM 0 HB3 LEU A 35 15.634 -8.496 1.085 1.00 1.34 H new ATOM 0 HG LEU A 35 16.825 -6.340 1.812 1.00 70.13 H new ATOM 0 HD11 LEU A 35 18.400 -5.383 0.185 1.00 23.22 H new ATOM 0 HD12 LEU A 35 19.044 -6.851 0.956 1.00 23.22 H new ATOM 0 HD13 LEU A 35 18.410 -6.924 -0.705 1.00 23.22 H new ATOM 0 HD21 LEU A 35 15.950 -5.094 -0.119 1.00 20.03 H new ATOM 0 HD22 LEU A 35 15.801 -6.616 -1.028 1.00 20.03 H new ATOM 0 HD23 LEU A 35 14.820 -6.353 0.433 1.00 20.03 H new ATOM 535 N PHE A 36 16.122 -7.840 3.779 1.00 5.35 N ATOM 536 CA PHE A 36 15.875 -7.111 5.012 1.00 22.24 C ATOM 537 C PHE A 36 16.310 -7.929 6.230 1.00 61.41 C ATOM 538 O PHE A 36 15.578 -8.806 6.686 1.00 2.04 O ATOM 539 CB PHE A 36 14.367 -6.865 5.091 1.00 52.13 C ATOM 540 CG PHE A 36 13.888 -5.668 4.265 1.00 23.51 C ATOM 541 CD1 PHE A 36 13.599 -5.826 2.945 1.00 33.42 C ATOM 542 CD2 PHE A 36 13.752 -4.448 4.850 1.00 23.43 C ATOM 543 CE1 PHE A 36 13.154 -4.716 2.178 1.00 1.43 C ATOM 544 CE2 PHE A 36 13.309 -3.339 4.083 1.00 12.33 C ATOM 545 CZ PHE A 36 13.018 -3.496 2.764 1.00 2.54 C ATOM 0 H PHE A 36 15.289 -8.034 3.223 1.00 5.35 H new ATOM 0 HA PHE A 36 16.441 -6.179 5.013 1.00 22.24 H new ATOM 0 HB2 PHE A 36 13.845 -7.760 4.752 1.00 52.13 H new ATOM 0 HB3 PHE A 36 14.089 -6.709 6.133 1.00 52.13 H new ATOM 0 HD1 PHE A 36 13.708 -6.795 2.480 1.00 33.42 H new ATOM 0 HD2 PHE A 36 13.981 -4.323 5.898 1.00 23.43 H new ATOM 0 HE1 PHE A 36 12.924 -4.841 1.130 1.00 1.43 H new ATOM 0 HE2 PHE A 36 13.203 -2.370 4.547 1.00 12.33 H new ATOM 0 HZ PHE A 36 12.679 -2.652 2.182 1.00 2.54 H new ATOM 555 N GLY A 37 17.499 -7.613 6.721 1.00 15.13 N ATOM 556 CA GLY A 37 18.040 -8.308 7.877 1.00 44.23 C ATOM 557 C GLY A 37 19.246 -9.164 7.486 1.00 13.23 C ATOM 558 O GLY A 37 19.468 -10.229 8.061 1.00 33.14 O ATOM 0 H GLY A 37 18.103 -6.885 6.340 1.00 15.13 H new ATOM 0 HA2 GLY A 37 18.334 -7.584 8.637 1.00 44.23 H new ATOM 0 HA3 GLY A 37 17.270 -8.939 8.320 1.00 44.23 H new ATOM 562 N ARG A 38 19.995 -8.667 6.513 1.00 71.12 N ATOM 563 CA ARG A 38 21.173 -9.374 6.040 1.00 72.15 C ATOM 564 C ARG A 38 22.218 -8.380 5.529 1.00 53.24 C ATOM 565 O ARG A 38 22.056 -7.799 4.457 1.00 74.14 O ATOM 566 CB ARG A 38 20.815 -10.349 4.916 1.00 13.11 C ATOM 567 CG ARG A 38 21.988 -11.281 4.606 1.00 61.12 C ATOM 568 CD ARG A 38 21.798 -11.969 3.252 1.00 23.15 C ATOM 569 NE ARG A 38 20.682 -12.938 3.329 1.00 44.20 N ATOM 570 CZ ARG A 38 20.722 -14.083 4.042 1.00 15.22 C ATOM 571 NH1 ARG A 38 21.823 -14.413 4.749 1.00 2.45 N ATOM 572 NH2 ARG A 38 19.666 -14.876 4.040 1.00 43.34 N1+ ATOM 0 H ARG A 38 19.809 -7.783 6.039 1.00 71.12 H new ATOM 0 HA ARG A 38 21.581 -9.938 6.879 1.00 72.15 H new ATOM 0 HB2 ARG A 38 19.944 -10.938 5.204 1.00 13.11 H new ATOM 0 HB3 ARG A 38 20.541 -9.792 4.020 1.00 13.11 H new ATOM 0 HG2 ARG A 38 22.918 -10.712 4.602 1.00 61.12 H new ATOM 0 HG3 ARG A 38 22.077 -12.032 5.391 1.00 61.12 H new ATOM 0 HD2 ARG A 38 21.592 -11.225 2.482 1.00 23.15 H new ATOM 0 HD3 ARG A 38 22.716 -12.481 2.963 1.00 23.15 H new ATOM 0 HE ARG A 38 19.829 -12.727 2.811 1.00 44.20 H new ATOM 0 HH11 ARG A 38 22.634 -13.795 4.747 1.00 2.45 H new ATOM 0 HH12 ARG A 38 21.844 -15.281 5.285 1.00 2.45 H new ATOM 0 HH21 ARG A 38 18.837 -14.619 3.505 1.00 43.34 H new ATOM 0 HH22 ARG A 38 19.680 -15.745 4.574 1.00 43.34 H new ATOM 585 N LYS A 39 23.267 -8.215 6.320 1.00 1.25 N ATOM 586 CA LYS A 39 24.339 -7.301 5.962 1.00 23.04 C ATOM 587 C LYS A 39 24.705 -7.504 4.490 1.00 30.04 C ATOM 588 O LYS A 39 24.285 -8.481 3.871 1.00 3.20 O ATOM 589 CB LYS A 39 25.523 -7.463 6.918 1.00 65.41 C ATOM 590 CG LYS A 39 26.252 -6.133 7.118 1.00 52.45 C ATOM 591 CD LYS A 39 26.862 -6.047 8.518 1.00 54.13 C ATOM 592 CE LYS A 39 25.908 -5.346 9.488 1.00 12.24 C ATOM 593 NZ LYS A 39 26.530 -5.220 10.826 1.00 2.13 N1+ ATOM 0 H LYS A 39 23.398 -8.699 7.208 1.00 1.25 H new ATOM 0 HA LYS A 39 24.011 -6.267 6.070 1.00 23.04 H new ATOM 0 HB2 LYS A 39 25.170 -7.837 7.879 1.00 65.41 H new ATOM 0 HB3 LYS A 39 26.216 -8.206 6.522 1.00 65.41 H new ATOM 0 HG2 LYS A 39 27.037 -6.028 6.369 1.00 52.45 H new ATOM 0 HG3 LYS A 39 25.556 -5.307 6.969 1.00 52.45 H new ATOM 0 HD2 LYS A 39 27.087 -7.049 8.883 1.00 54.13 H new ATOM 0 HD3 LYS A 39 27.806 -5.504 8.475 1.00 54.13 H new ATOM 0 HE2 LYS A 39 25.651 -4.358 9.105 1.00 12.24 H new ATOM 0 HE3 LYS A 39 24.978 -5.910 9.564 1.00 12.24 H new ATOM 0 HZ1 LYS A 39 25.870 -4.742 11.472 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 26.753 -6.166 11.196 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 27.405 -4.663 10.751 1.00 2.13 H new ATOM 606 N THR A 40 25.485 -6.565 3.972 1.00 35.13 N ATOM 607 CA THR A 40 25.912 -6.629 2.586 1.00 75.44 C ATOM 608 C THR A 40 27.068 -7.618 2.428 1.00 43.11 C ATOM 609 O THR A 40 28.182 -7.352 2.876 1.00 72.31 O ATOM 610 CB THR A 40 26.261 -5.209 2.133 1.00 74.21 C ATOM 611 OG1 THR A 40 26.934 -4.644 3.254 1.00 42.25 O ATOM 612 CG2 THR A 40 25.022 -4.329 1.960 1.00 52.34 C ATOM 0 H THR A 40 25.832 -5.756 4.488 1.00 35.13 H new ATOM 0 HA THR A 40 25.115 -7.005 1.944 1.00 75.44 H new ATOM 0 HB THR A 40 26.810 -5.252 1.192 1.00 74.21 H new ATOM 0 HG1 THR A 40 27.704 -5.203 3.489 1.00 42.25 H new ATOM 0 HG21 THR A 40 25.325 -3.333 1.638 1.00 52.34 H new ATOM 0 HG22 THR A 40 24.365 -4.769 1.209 1.00 52.34 H new ATOM 0 HG23 THR A 40 24.491 -4.257 2.909 1.00 52.34 H new ATOM 620 N GLY A 41 26.763 -8.738 1.791 1.00 61.55 N ATOM 621 CA GLY A 41 27.763 -9.769 1.568 1.00 62.50 C ATOM 622 C GLY A 41 27.739 -10.807 2.692 1.00 21.13 C ATOM 623 O GLY A 41 28.734 -10.992 3.392 1.00 23.11 O ATOM 0 H GLY A 41 25.837 -8.955 1.422 1.00 61.55 H new ATOM 0 HA2 GLY A 41 27.579 -10.259 0.612 1.00 62.50 H new ATOM 0 HA3 GLY A 41 28.752 -9.315 1.508 1.00 62.50 H new ATOM 627 N GLN A 42 26.593 -11.457 2.830 1.00 20.11 N ATOM 628 CA GLN A 42 26.428 -12.473 3.857 1.00 50.44 C ATOM 629 C GLN A 42 26.117 -13.827 3.219 1.00 23.41 C ATOM 630 O GLN A 42 26.596 -14.860 3.683 1.00 22.22 O ATOM 631 CB GLN A 42 25.336 -12.071 4.851 1.00 22.15 C ATOM 632 CG GLN A 42 25.599 -10.677 5.422 1.00 43.33 C ATOM 633 CD GLN A 42 26.784 -10.694 6.391 1.00 74.22 C ATOM 634 OE1 GLN A 42 26.717 -11.234 7.483 1.00 53.24 O ATOM 635 NE2 GLN A 42 27.868 -10.077 5.931 1.00 55.35 N ATOM 0 H GLN A 42 25.770 -11.300 2.248 1.00 20.11 H new ATOM 0 HA GLN A 42 27.364 -12.561 4.409 1.00 50.44 H new ATOM 0 HB2 GLN A 42 24.365 -12.088 4.356 1.00 22.15 H new ATOM 0 HB3 GLN A 42 25.293 -12.798 5.662 1.00 22.15 H new ATOM 0 HG2 GLN A 42 25.800 -9.979 4.609 1.00 43.33 H new ATOM 0 HG3 GLN A 42 24.708 -10.318 5.938 1.00 43.33 H new ATOM 0 HE21 GLN A 42 27.856 -9.645 5.007 1.00 55.35 H new ATOM 0 HE22 GLN A 42 28.712 -10.035 6.502 1.00 55.35 H new ATOM 644 N ALA A 43 25.317 -13.779 2.164 1.00 70.23 N ATOM 645 CA ALA A 43 24.937 -14.991 1.457 1.00 30.12 C ATOM 646 C ALA A 43 26.145 -15.926 1.370 1.00 64.14 C ATOM 647 O ALA A 43 27.016 -15.744 0.520 1.00 13.20 O ATOM 648 CB ALA A 43 24.382 -14.625 0.078 1.00 22.12 C ATOM 0 H ALA A 43 24.921 -12.920 1.781 1.00 70.23 H new ATOM 0 HA ALA A 43 24.150 -15.519 1.996 1.00 30.12 H new ATOM 0 HB1 ALA A 43 24.097 -15.534 -0.452 1.00 22.12 H new ATOM 0 HB2 ALA A 43 23.508 -13.984 0.196 1.00 22.12 H new ATOM 0 HB3 ALA A 43 25.145 -14.096 -0.493 1.00 22.12 H new ATOM 654 N PRO A 44 26.159 -16.932 2.284 1.00 21.12 N ATOM 655 CA PRO A 44 27.246 -17.896 2.319 1.00 3.52 C ATOM 656 C PRO A 44 27.128 -18.897 1.168 1.00 70.11 C ATOM 657 O PRO A 44 27.976 -19.776 1.015 1.00 13.44 O ATOM 658 CB PRO A 44 27.148 -18.551 3.688 1.00 43.33 C ATOM 659 CG PRO A 44 25.741 -18.266 4.186 1.00 50.30 C ATOM 660 CD PRO A 44 25.146 -17.179 3.305 1.00 14.51 C ATOM 0 HA PRO A 44 28.223 -17.433 2.183 1.00 3.52 H new ATOM 0 HB2 PRO A 44 27.329 -19.624 3.622 1.00 43.33 H new ATOM 0 HB3 PRO A 44 27.894 -18.143 4.370 1.00 43.33 H new ATOM 0 HG2 PRO A 44 25.131 -19.168 4.144 1.00 50.30 H new ATOM 0 HG3 PRO A 44 25.762 -17.944 5.227 1.00 50.30 H new ATOM 0 HD2 PRO A 44 24.205 -17.502 2.859 1.00 14.51 H new ATOM 0 HD3 PRO A 44 24.934 -16.277 3.879 1.00 14.51 H new ATOM 668 N GLY A 45 26.071 -18.730 0.387 1.00 63.41 N ATOM 669 CA GLY A 45 25.832 -19.608 -0.746 1.00 62.30 C ATOM 670 C GLY A 45 26.299 -18.960 -2.051 1.00 51.31 C ATOM 671 O GLY A 45 26.555 -19.651 -3.035 1.00 1.41 O ATOM 0 H GLY A 45 25.371 -18.000 0.516 1.00 63.41 H new ATOM 0 HA2 GLY A 45 26.357 -20.552 -0.596 1.00 62.30 H new ATOM 0 HA3 GLY A 45 24.769 -19.841 -0.812 1.00 62.30 H new ATOM 675 N TYR A 46 26.396 -17.638 -2.016 1.00 31.42 N ATOM 676 CA TYR A 46 26.828 -16.888 -3.184 1.00 33.33 C ATOM 677 C TYR A 46 27.623 -15.647 -2.774 1.00 21.45 C ATOM 678 O TYR A 46 27.104 -14.774 -2.081 1.00 53.01 O ATOM 679 CB TYR A 46 25.549 -16.448 -3.898 1.00 11.41 C ATOM 680 CG TYR A 46 25.790 -15.810 -5.268 1.00 3.21 C ATOM 681 CD1 TYR A 46 26.590 -16.447 -6.194 1.00 70.24 C ATOM 682 CD2 TYR A 46 25.208 -14.598 -5.576 1.00 42.12 C ATOM 683 CE1 TYR A 46 26.817 -15.847 -7.483 1.00 41.12 C ATOM 684 CE2 TYR A 46 25.434 -13.997 -6.865 1.00 4.30 C ATOM 685 CZ TYR A 46 26.228 -14.651 -7.755 1.00 64.21 C ATOM 686 OH TYR A 46 26.443 -14.084 -8.973 1.00 73.20 O ATOM 0 H TYR A 46 26.183 -17.068 -1.198 1.00 31.42 H new ATOM 0 HA TYR A 46 27.471 -17.499 -3.818 1.00 33.33 H new ATOM 0 HB2 TYR A 46 24.898 -17.313 -4.021 1.00 11.41 H new ATOM 0 HB3 TYR A 46 25.018 -15.737 -3.265 1.00 11.41 H new ATOM 0 HD1 TYR A 46 27.046 -17.396 -5.952 1.00 70.24 H new ATOM 0 HD2 TYR A 46 24.583 -14.100 -4.850 1.00 42.12 H new ATOM 0 HE1 TYR A 46 27.441 -16.335 -8.217 1.00 41.12 H new ATOM 0 HE2 TYR A 46 24.983 -13.049 -7.119 1.00 4.30 H new ATOM 0 HH TYR A 46 25.690 -13.499 -9.199 1.00 73.20 H new ATOM 696 N SER A 47 28.870 -15.609 -3.220 1.00 61.13 N ATOM 697 CA SER A 47 29.742 -14.489 -2.910 1.00 50.02 C ATOM 698 C SER A 47 29.652 -13.434 -4.013 1.00 61.25 C ATOM 699 O SER A 47 29.520 -13.769 -5.189 1.00 74.42 O ATOM 700 CB SER A 47 31.190 -14.951 -2.733 1.00 64.01 C ATOM 701 OG SER A 47 31.343 -15.808 -1.606 1.00 62.20 O ATOM 0 H SER A 47 29.297 -16.336 -3.794 1.00 61.13 H new ATOM 0 HA SER A 47 29.412 -14.049 -1.969 1.00 50.02 H new ATOM 0 HB2 SER A 47 31.516 -15.473 -3.632 1.00 64.01 H new ATOM 0 HB3 SER A 47 31.836 -14.081 -2.617 1.00 64.01 H new ATOM 0 HG SER A 47 32.281 -16.082 -1.529 1.00 62.20 H new ATOM 707 N TYR A 48 29.727 -12.178 -3.596 1.00 23.43 N ATOM 708 CA TYR A 48 29.656 -11.072 -4.534 1.00 51.03 C ATOM 709 C TYR A 48 31.050 -10.513 -4.831 1.00 50.11 C ATOM 710 O TYR A 48 32.051 -11.059 -4.370 1.00 44.52 O ATOM 711 CB TYR A 48 28.821 -9.989 -3.848 1.00 20.35 C ATOM 712 CG TYR A 48 27.651 -10.534 -3.026 1.00 25.13 C ATOM 713 CD1 TYR A 48 27.099 -11.759 -3.339 1.00 3.33 C ATOM 714 CD2 TYR A 48 27.148 -9.800 -1.971 1.00 40.21 C ATOM 715 CE1 TYR A 48 25.998 -12.271 -2.565 1.00 31.53 C ATOM 716 CE2 TYR A 48 26.047 -10.311 -1.197 1.00 74.50 C ATOM 717 CZ TYR A 48 25.526 -11.522 -1.533 1.00 31.14 C ATOM 718 OH TYR A 48 24.486 -12.006 -0.802 1.00 23.04 O ATOM 0 H TYR A 48 29.836 -11.903 -2.620 1.00 23.43 H new ATOM 0 HA TYR A 48 29.222 -11.399 -5.479 1.00 51.03 H new ATOM 0 HB2 TYR A 48 29.469 -9.404 -3.195 1.00 20.35 H new ATOM 0 HB3 TYR A 48 28.433 -9.308 -4.606 1.00 20.35 H new ATOM 0 HD1 TYR A 48 27.493 -12.334 -4.164 1.00 3.33 H new ATOM 0 HD2 TYR A 48 27.581 -8.841 -1.726 1.00 40.21 H new ATOM 0 HE1 TYR A 48 25.557 -13.229 -2.799 1.00 31.53 H new ATOM 0 HE2 TYR A 48 25.644 -9.746 -0.369 1.00 74.50 H new ATOM 0 HH TYR A 48 24.255 -11.365 -0.097 1.00 23.04 H new ATOM 728 N THR A 49 31.068 -9.433 -5.597 1.00 5.20 N ATOM 729 CA THR A 49 32.322 -8.795 -5.960 1.00 43.03 C ATOM 730 C THR A 49 33.094 -8.382 -4.705 1.00 11.41 C ATOM 731 O THR A 49 32.595 -8.526 -3.590 1.00 40.24 O ATOM 732 CB THR A 49 32.004 -7.623 -6.891 1.00 0.23 C ATOM 733 OG1 THR A 49 30.834 -7.038 -6.325 1.00 65.43 O ATOM 734 CG2 THR A 49 31.558 -8.082 -8.280 1.00 63.33 C ATOM 0 H THR A 49 30.235 -8.983 -5.976 1.00 5.20 H new ATOM 0 HA THR A 49 32.976 -9.485 -6.493 1.00 43.03 H new ATOM 0 HB THR A 49 32.883 -6.986 -6.986 1.00 0.23 H new ATOM 0 HG1 THR A 49 30.559 -6.268 -6.866 1.00 65.43 H new ATOM 0 HG21 THR A 49 31.345 -7.211 -8.900 1.00 63.33 H new ATOM 0 HG22 THR A 49 32.351 -8.670 -8.741 1.00 63.33 H new ATOM 0 HG23 THR A 49 30.659 -8.692 -8.190 1.00 63.33 H new ATOM 742 N ALA A 50 34.298 -7.876 -4.928 1.00 63.11 N ATOM 743 CA ALA A 50 35.142 -7.442 -3.829 1.00 4.40 C ATOM 744 C ALA A 50 34.757 -6.016 -3.428 1.00 24.52 C ATOM 745 O ALA A 50 35.126 -5.549 -2.351 1.00 65.45 O ATOM 746 CB ALA A 50 36.612 -7.555 -4.239 1.00 22.44 C ATOM 0 H ALA A 50 34.709 -7.757 -5.854 1.00 63.11 H new ATOM 0 HA ALA A 50 34.996 -8.080 -2.958 1.00 4.40 H new ATOM 0 HB1 ALA A 50 37.246 -7.229 -3.414 1.00 22.44 H new ATOM 0 HB2 ALA A 50 36.842 -8.591 -4.486 1.00 22.44 H new ATOM 0 HB3 ALA A 50 36.797 -6.925 -5.109 1.00 22.44 H new ATOM 752 N ALA A 51 34.022 -5.364 -4.317 1.00 22.13 N ATOM 753 CA ALA A 51 33.583 -4.001 -4.069 1.00 24.51 C ATOM 754 C ALA A 51 32.245 -4.027 -3.329 1.00 32.14 C ATOM 755 O ALA A 51 31.913 -3.090 -2.606 1.00 53.32 O ATOM 756 CB ALA A 51 33.501 -3.243 -5.395 1.00 73.13 C ATOM 0 H ALA A 51 33.720 -5.754 -5.210 1.00 22.13 H new ATOM 0 HA ALA A 51 34.299 -3.476 -3.436 1.00 24.51 H new ATOM 0 HB1 ALA A 51 33.172 -2.221 -5.210 1.00 73.13 H new ATOM 0 HB2 ALA A 51 34.483 -3.228 -5.867 1.00 73.13 H new ATOM 0 HB3 ALA A 51 32.789 -3.740 -6.055 1.00 73.13 H new ATOM 762 N ASN A 52 31.513 -5.113 -3.534 1.00 72.12 N ATOM 763 CA ASN A 52 30.218 -5.274 -2.895 1.00 72.03 C ATOM 764 C ASN A 52 30.416 -5.833 -1.484 1.00 44.33 C ATOM 765 O ASN A 52 29.885 -5.289 -0.517 1.00 21.23 O ATOM 766 CB ASN A 52 29.338 -6.254 -3.672 1.00 71.24 C ATOM 767 CG ASN A 52 27.855 -6.009 -3.383 1.00 1.21 C ATOM 768 OD1 ASN A 52 27.502 -6.257 -2.125 1.00 10.34 O flip ATOM 769 ND2 ASN A 52 27.083 -5.622 -4.245 1.00 51.41 N flip ATOM 0 H ASN A 52 31.792 -5.890 -4.133 1.00 72.12 H new ATOM 0 HA ASN A 52 29.733 -4.298 -2.867 1.00 72.03 H new ATOM 0 HB2 ASN A 52 29.526 -6.148 -4.740 1.00 71.24 H new ATOM 0 HB3 ASN A 52 29.601 -7.277 -3.402 1.00 71.24 H new ATOM 0 HD21 ASN A 52 27.420 -5.451 -5.192 1.00 51.41 H new ATOM 0 HD22 ASN A 52 26.100 -5.470 -4.018 1.00 51.41 H new ATOM 776 N LYS A 53 31.182 -6.911 -1.413 1.00 31.33 N ATOM 777 CA LYS A 53 31.457 -7.550 -0.137 1.00 23.25 C ATOM 778 C LYS A 53 31.967 -6.502 0.854 1.00 40.10 C ATOM 779 O LYS A 53 31.686 -6.583 2.049 1.00 44.44 O ATOM 780 CB LYS A 53 32.409 -8.734 -0.324 1.00 41.40 C ATOM 781 CG LYS A 53 32.219 -9.771 0.784 1.00 75.03 C ATOM 782 CD LYS A 53 33.513 -10.547 1.038 1.00 74.12 C ATOM 783 CE LYS A 53 33.225 -11.887 1.718 1.00 55.52 C ATOM 784 NZ LYS A 53 34.385 -12.315 2.530 1.00 13.54 N1+ ATOM 0 H LYS A 53 31.621 -7.358 -2.218 1.00 31.33 H new ATOM 0 HA LYS A 53 30.543 -7.969 0.283 1.00 23.25 H new ATOM 0 HB2 LYS A 53 32.232 -9.197 -1.295 1.00 41.40 H new ATOM 0 HB3 LYS A 53 33.440 -8.380 -0.323 1.00 41.40 H new ATOM 0 HG2 LYS A 53 31.903 -9.274 1.701 1.00 75.03 H new ATOM 0 HG3 LYS A 53 31.424 -10.463 0.506 1.00 75.03 H new ATOM 0 HD2 LYS A 53 34.030 -10.718 0.094 1.00 74.12 H new ATOM 0 HD3 LYS A 53 34.180 -9.954 1.663 1.00 74.12 H new ATOM 0 HE2 LYS A 53 32.343 -11.798 2.352 1.00 55.52 H new ATOM 0 HE3 LYS A 53 33.002 -12.643 0.965 1.00 55.52 H new ATOM 0 HZ1 LYS A 53 34.173 -13.226 2.985 1.00 13.54 H new ATOM 0 HZ2 LYS A 53 35.218 -12.420 1.917 1.00 13.54 H new ATOM 0 HZ3 LYS A 53 34.580 -11.601 3.260 1.00 13.54 H new ATOM 797 N ASN A 54 32.708 -5.541 0.321 1.00 32.11 N ATOM 798 CA ASN A 54 33.260 -4.478 1.144 1.00 62.53 C ATOM 799 C ASN A 54 32.124 -3.777 1.893 1.00 21.52 C ATOM 800 O ASN A 54 32.267 -3.441 3.068 1.00 54.24 O ATOM 801 CB ASN A 54 33.975 -3.433 0.285 1.00 4.13 C ATOM 802 CG ASN A 54 35.362 -3.923 -0.133 1.00 23.22 C ATOM 803 OD1 ASN A 54 35.937 -4.821 0.461 1.00 64.31 O ATOM 804 ND2 ASN A 54 35.867 -3.286 -1.186 1.00 31.23 N ATOM 0 H ASN A 54 32.939 -5.476 -0.670 1.00 32.11 H new ATOM 0 HA ASN A 54 33.972 -4.923 1.839 1.00 62.53 H new ATOM 0 HB2 ASN A 54 33.379 -3.217 -0.602 1.00 4.13 H new ATOM 0 HB3 ASN A 54 34.067 -2.501 0.842 1.00 4.13 H new ATOM 0 HD21 ASN A 54 36.788 -3.540 -1.542 1.00 31.23 H new ATOM 0 HD22 ASN A 54 35.333 -2.543 -1.637 1.00 31.23 H new ATOM 811 N LYS A 55 31.023 -3.579 1.183 1.00 3.10 N ATOM 812 CA LYS A 55 29.865 -2.925 1.767 1.00 52.01 C ATOM 813 C LYS A 55 29.483 -3.636 3.066 1.00 71.13 C ATOM 814 O LYS A 55 29.484 -4.864 3.128 1.00 34.34 O ATOM 815 CB LYS A 55 28.725 -2.847 0.750 1.00 61.43 C ATOM 816 CG LYS A 55 27.790 -1.677 1.061 1.00 35.11 C ATOM 817 CD LYS A 55 28.559 -0.354 1.094 1.00 31.33 C ATOM 818 CE LYS A 55 27.631 0.827 0.805 1.00 31.13 C ATOM 819 NZ LYS A 55 28.353 2.107 0.975 1.00 40.52 N1+ ATOM 0 H LYS A 55 30.909 -3.860 0.209 1.00 3.10 H new ATOM 0 HA LYS A 55 30.101 -1.893 2.027 1.00 52.01 H new ATOM 0 HB2 LYS A 55 29.135 -2.732 -0.253 1.00 61.43 H new ATOM 0 HB3 LYS A 55 28.161 -3.780 0.759 1.00 61.43 H new ATOM 0 HG2 LYS A 55 27.003 -1.626 0.308 1.00 35.11 H new ATOM 0 HG3 LYS A 55 27.302 -1.842 2.022 1.00 35.11 H new ATOM 0 HD2 LYS A 55 29.025 -0.224 2.071 1.00 31.33 H new ATOM 0 HD3 LYS A 55 29.363 -0.378 0.358 1.00 31.33 H new ATOM 0 HE2 LYS A 55 27.244 0.753 -0.211 1.00 31.13 H new ATOM 0 HE3 LYS A 55 26.772 0.795 1.476 1.00 31.13 H new ATOM 0 HZ1 LYS A 55 27.708 2.898 0.775 1.00 40.52 H new ATOM 0 HZ2 LYS A 55 28.701 2.182 1.952 1.00 40.52 H new ATOM 0 HZ3 LYS A 55 29.158 2.142 0.317 1.00 40.52 H new ATOM 832 N GLY A 56 29.166 -2.834 4.071 1.00 14.34 N ATOM 833 CA GLY A 56 28.783 -3.372 5.366 1.00 1.53 C ATOM 834 C GLY A 56 27.668 -2.537 5.999 1.00 71.44 C ATOM 835 O GLY A 56 27.918 -1.749 6.909 1.00 74.10 O ATOM 0 H GLY A 56 29.166 -1.816 4.015 1.00 14.34 H new ATOM 0 HA2 GLY A 56 28.449 -4.403 5.251 1.00 1.53 H new ATOM 0 HA3 GLY A 56 29.649 -3.389 6.027 1.00 1.53 H new ATOM 839 N ILE A 57 26.461 -2.739 5.491 1.00 74.01 N ATOM 840 CA ILE A 57 25.306 -2.015 5.995 1.00 43.32 C ATOM 841 C ILE A 57 24.057 -2.884 5.840 1.00 62.24 C ATOM 842 O ILE A 57 24.033 -3.804 5.023 1.00 3.42 O ATOM 843 CB ILE A 57 25.192 -0.649 5.316 1.00 40.53 C ATOM 844 CG1 ILE A 57 24.956 -0.801 3.811 1.00 32.54 C ATOM 845 CG2 ILE A 57 26.417 0.218 5.618 1.00 3.00 C ATOM 846 CD1 ILE A 57 23.464 -0.938 3.502 1.00 32.33 C ATOM 0 H ILE A 57 26.258 -3.394 4.736 1.00 74.01 H new ATOM 0 HA ILE A 57 25.421 -1.808 7.059 1.00 43.32 H new ATOM 0 HB ILE A 57 24.323 -0.136 5.728 1.00 40.53 H new ATOM 0 HG12 ILE A 57 25.362 0.064 3.286 1.00 32.54 H new ATOM 0 HG13 ILE A 57 25.490 -1.677 3.442 1.00 32.54 H new ATOM 0 HG21 ILE A 57 26.310 1.183 5.123 1.00 3.00 H new ATOM 0 HG22 ILE A 57 26.500 0.369 6.694 1.00 3.00 H new ATOM 0 HG23 ILE A 57 27.315 -0.280 5.252 1.00 3.00 H new ATOM 0 HD11 ILE A 57 23.323 -1.045 2.426 1.00 32.33 H new ATOM 0 HD12 ILE A 57 23.067 -1.817 4.009 1.00 32.33 H new ATOM 0 HD13 ILE A 57 22.937 -0.050 3.850 1.00 32.33 H new ATOM 858 N ILE A 58 23.049 -2.562 6.637 1.00 34.44 N ATOM 859 CA ILE A 58 21.799 -3.303 6.599 1.00 71.13 C ATOM 860 C ILE A 58 20.869 -2.672 5.561 1.00 61.15 C ATOM 861 O ILE A 58 20.602 -1.472 5.608 1.00 1.32 O ATOM 862 CB ILE A 58 21.186 -3.393 7.998 1.00 10.41 C ATOM 863 CG1 ILE A 58 22.199 -3.943 9.006 1.00 53.34 C ATOM 864 CG2 ILE A 58 19.894 -4.212 7.979 1.00 13.54 C ATOM 865 CD1 ILE A 58 22.779 -5.276 8.528 1.00 42.52 C ATOM 0 H ILE A 58 23.072 -1.798 7.313 1.00 34.44 H new ATOM 0 HA ILE A 58 21.976 -4.332 6.287 1.00 71.13 H new ATOM 0 HB ILE A 58 20.924 -2.386 8.322 1.00 10.41 H new ATOM 0 HG12 ILE A 58 23.004 -3.222 9.148 1.00 53.34 H new ATOM 0 HG13 ILE A 58 21.717 -4.078 9.974 1.00 53.34 H new ATOM 0 HG21 ILE A 58 19.479 -4.260 8.986 1.00 13.54 H new ATOM 0 HG22 ILE A 58 19.173 -3.739 7.312 1.00 13.54 H new ATOM 0 HG23 ILE A 58 20.108 -5.221 7.626 1.00 13.54 H new ATOM 0 HD11 ILE A 58 23.496 -5.645 9.262 1.00 42.52 H new ATOM 0 HD12 ILE A 58 21.974 -6.002 8.410 1.00 42.52 H new ATOM 0 HD13 ILE A 58 23.281 -5.132 7.571 1.00 42.52 H new ATOM 877 N TRP A 59 20.400 -3.509 4.646 1.00 12.43 N ATOM 878 CA TRP A 59 19.506 -3.048 3.598 1.00 31.13 C ATOM 879 C TRP A 59 18.160 -2.706 4.242 1.00 62.44 C ATOM 880 O TRP A 59 17.799 -3.272 5.272 1.00 4.32 O ATOM 881 CB TRP A 59 19.387 -4.088 2.482 1.00 3.14 C ATOM 882 CG TRP A 59 20.626 -4.186 1.589 1.00 60.14 C ATOM 883 CD1 TRP A 59 21.515 -5.186 1.517 1.00 33.12 C ATOM 884 CD2 TRP A 59 21.079 -3.200 0.637 1.00 22.32 C ATOM 885 NE1 TRP A 59 22.503 -4.919 0.593 1.00 43.14 N ATOM 886 CE2 TRP A 59 22.230 -3.672 0.040 1.00 22.33 C ATOM 887 CE3 TRP A 59 20.534 -1.951 0.291 1.00 1.23 C ATOM 888 CZ2 TRP A 59 22.935 -2.960 -0.938 1.00 75.24 C ATOM 889 CZ3 TRP A 59 21.250 -1.252 -0.688 1.00 14.52 C ATOM 890 CH2 TRP A 59 22.410 -1.713 -1.298 1.00 62.15 C ATOM 0 H TRP A 59 20.623 -4.504 4.609 1.00 12.43 H new ATOM 0 HA TRP A 59 19.902 -2.152 3.120 1.00 31.13 H new ATOM 0 HB2 TRP A 59 19.195 -5.064 2.928 1.00 3.14 H new ATOM 0 HB3 TRP A 59 18.524 -3.845 1.863 1.00 3.14 H new ATOM 0 HD1 TRP A 59 21.464 -6.088 2.109 1.00 33.12 H new ATOM 0 HE1 TRP A 59 23.289 -5.525 0.358 1.00 43.14 H new ATOM 0 HE3 TRP A 59 19.634 -1.562 0.744 1.00 1.23 H new ATOM 0 HZ2 TRP A 59 23.834 -3.351 -1.390 1.00 75.24 H new ATOM 0 HZ3 TRP A 59 20.874 -0.286 -0.991 1.00 14.52 H new ATOM 0 HH2 TRP A 59 22.905 -1.112 -2.047 1.00 62.15 H new ATOM 901 N GLY A 60 17.455 -1.782 3.606 1.00 60.12 N ATOM 902 CA GLY A 60 16.158 -1.357 4.104 1.00 61.54 C ATOM 903 C GLY A 60 15.342 -0.681 2.999 1.00 2.44 C ATOM 904 O GLY A 60 15.562 -0.933 1.816 1.00 64.10 O ATOM 0 H GLY A 60 17.757 -1.316 2.751 1.00 60.12 H new ATOM 0 HA2 GLY A 60 15.612 -2.218 4.489 1.00 61.54 H new ATOM 0 HA3 GLY A 60 16.292 -0.666 4.936 1.00 61.54 H new ATOM 908 N GLU A 61 14.417 0.166 3.426 1.00 1.02 N ATOM 909 CA GLU A 61 13.567 0.880 2.489 1.00 43.51 C ATOM 910 C GLU A 61 14.239 2.184 2.051 1.00 54.24 C ATOM 911 O GLU A 61 14.064 2.626 0.917 1.00 64.13 O ATOM 912 CB GLU A 61 12.188 1.151 3.094 1.00 4.31 C ATOM 913 CG GLU A 61 11.412 -0.153 3.293 1.00 42.02 C ATOM 914 CD GLU A 61 9.905 0.085 3.181 1.00 40.13 C ATOM 915 OE1 GLU A 61 9.357 0.081 2.068 1.00 42.11 O ATOM 916 OE2 GLU A 61 9.298 0.277 4.303 1.00 53.22 O1- ATOM 0 H GLU A 61 14.238 0.374 4.408 1.00 1.02 H new ATOM 0 HA GLU A 61 13.424 0.253 1.609 1.00 43.51 H new ATOM 0 HB2 GLU A 61 12.300 1.661 4.051 1.00 4.31 H new ATOM 0 HB3 GLU A 61 11.625 1.818 2.441 1.00 4.31 H new ATOM 0 HG2 GLU A 61 11.725 -0.884 2.548 1.00 42.02 H new ATOM 0 HG3 GLU A 61 11.646 -0.574 4.271 1.00 42.02 H new ATOM 924 N ASP A 62 14.992 2.763 2.975 1.00 41.03 N ATOM 925 CA ASP A 62 15.690 4.008 2.698 1.00 11.04 C ATOM 926 C ASP A 62 16.966 3.707 1.911 1.00 64.11 C ATOM 927 O ASP A 62 17.228 4.332 0.884 1.00 4.51 O ATOM 928 CB ASP A 62 16.091 4.714 3.995 1.00 52.14 C ATOM 929 CG ASP A 62 17.298 4.111 4.714 1.00 62.42 C ATOM 930 OD1 ASP A 62 18.442 4.549 4.520 1.00 35.04 O ATOM 931 OD2 ASP A 62 17.026 3.136 5.514 1.00 62.51 O1- ATOM 0 H ASP A 62 15.134 2.394 3.915 1.00 41.03 H new ATOM 0 HA ASP A 62 15.019 4.652 2.129 1.00 11.04 H new ATOM 0 HB2 ASP A 62 16.306 5.759 3.771 1.00 52.14 H new ATOM 0 HB3 ASP A 62 15.239 4.703 4.675 1.00 52.14 H new ATOM 937 N THR A 63 17.727 2.749 2.420 1.00 73.22 N ATOM 938 CA THR A 63 18.969 2.357 1.777 1.00 3.24 C ATOM 939 C THR A 63 18.696 1.825 0.369 1.00 11.02 C ATOM 940 O THR A 63 19.601 1.767 -0.463 1.00 1.20 O ATOM 941 CB THR A 63 19.672 1.345 2.683 1.00 40.22 C ATOM 942 OG1 THR A 63 18.648 0.415 3.025 1.00 4.21 O ATOM 943 CG2 THR A 63 20.088 1.950 4.026 1.00 44.33 C ATOM 0 H THR A 63 17.507 2.232 3.271 1.00 73.22 H new ATOM 0 HA THR A 63 19.632 3.212 1.645 1.00 3.24 H new ATOM 0 HB THR A 63 20.552 0.953 2.173 1.00 40.22 H new ATOM 0 HG1 THR A 63 18.417 0.516 3.972 1.00 4.21 H new ATOM 0 HG21 THR A 63 20.582 1.189 4.630 1.00 44.33 H new ATOM 0 HG22 THR A 63 20.774 2.780 3.854 1.00 44.33 H new ATOM 0 HG23 THR A 63 19.204 2.313 4.551 1.00 44.33 H new ATOM 951 N LEU A 64 17.445 1.451 0.144 1.00 10.45 N ATOM 952 CA LEU A 64 17.041 0.926 -1.149 1.00 43.40 C ATOM 953 C LEU A 64 16.567 2.078 -2.037 1.00 72.41 C ATOM 954 O LEU A 64 16.967 2.178 -3.195 1.00 42.34 O ATOM 955 CB LEU A 64 16.005 -0.185 -0.976 1.00 75.52 C ATOM 956 CG LEU A 64 16.558 -1.578 -0.667 1.00 12.32 C ATOM 957 CD1 LEU A 64 15.433 -2.543 -0.291 1.00 31.02 C ATOM 958 CD2 LEU A 64 17.400 -2.104 -1.831 1.00 20.25 C ATOM 0 H LEU A 64 16.697 1.501 0.836 1.00 10.45 H new ATOM 0 HA LEU A 64 17.889 0.463 -1.654 1.00 43.40 H new ATOM 0 HB2 LEU A 64 15.326 0.101 -0.172 1.00 75.52 H new ATOM 0 HB3 LEU A 64 15.411 -0.246 -1.888 1.00 75.52 H new ATOM 0 HG LEU A 64 17.217 -1.500 0.197 1.00 12.32 H new ATOM 0 HD11 LEU A 64 15.853 -3.526 -0.076 1.00 31.02 H new ATOM 0 HD12 LEU A 64 14.913 -2.170 0.591 1.00 31.02 H new ATOM 0 HD13 LEU A 64 14.730 -2.622 -1.120 1.00 31.02 H new ATOM 0 HD21 LEU A 64 17.781 -3.095 -1.586 1.00 20.25 H new ATOM 0 HD22 LEU A 64 16.784 -2.164 -2.728 1.00 20.25 H new ATOM 0 HD23 LEU A 64 18.236 -1.428 -2.010 1.00 20.25 H new ATOM 970 N MET A 65 15.721 2.918 -1.460 1.00 14.04 N ATOM 971 CA MET A 65 15.187 4.059 -2.183 1.00 64.51 C ATOM 972 C MET A 65 16.288 4.771 -2.972 1.00 44.11 C ATOM 973 O MET A 65 16.058 5.234 -4.089 1.00 35.15 O ATOM 974 CB MET A 65 14.551 5.039 -1.196 1.00 75.32 C ATOM 975 CG MET A 65 13.486 5.895 -1.884 1.00 12.54 C ATOM 976 SD MET A 65 11.896 5.092 -1.779 1.00 72.52 S ATOM 977 CE MET A 65 11.639 4.690 -3.499 1.00 71.41 C ATOM 0 H MET A 65 15.392 2.831 -0.499 1.00 14.04 H new ATOM 0 HA MET A 65 14.435 3.700 -2.886 1.00 64.51 H new ATOM 0 HB2 MET A 65 14.102 4.488 -0.369 1.00 75.32 H new ATOM 0 HB3 MET A 65 15.321 5.683 -0.770 1.00 75.32 H new ATOM 0 HG2 MET A 65 13.438 6.877 -1.414 1.00 12.54 H new ATOM 0 HG3 MET A 65 13.754 6.054 -2.929 1.00 12.54 H new ATOM 0 HE1 MET A 65 11.130 3.729 -3.576 1.00 71.41 H new ATOM 0 HE2 MET A 65 11.029 5.463 -3.966 1.00 71.41 H new ATOM 0 HE3 MET A 65 12.602 4.632 -4.007 1.00 71.41 H new ATOM 987 N GLU A 66 17.462 4.838 -2.360 1.00 20.23 N ATOM 988 CA GLU A 66 18.598 5.486 -2.991 1.00 4.35 C ATOM 989 C GLU A 66 19.238 4.552 -4.021 1.00 12.41 C ATOM 990 O GLU A 66 19.400 4.923 -5.183 1.00 31.41 O ATOM 991 CB GLU A 66 19.623 5.933 -1.947 1.00 2.12 C ATOM 992 CG GLU A 66 20.863 6.533 -2.615 1.00 74.21 C ATOM 993 CD GLU A 66 21.903 6.946 -1.572 1.00 11.01 C ATOM 994 OE1 GLU A 66 21.549 7.198 -0.410 1.00 62.03 O ATOM 995 OE2 GLU A 66 23.117 7.000 -2.005 1.00 61.41 O1- ATOM 0 H GLU A 66 17.650 4.454 -1.434 1.00 20.23 H new ATOM 0 HA GLU A 66 18.242 6.377 -3.508 1.00 4.35 H new ATOM 0 HB2 GLU A 66 19.172 6.669 -1.282 1.00 2.12 H new ATOM 0 HB3 GLU A 66 19.914 5.082 -1.331 1.00 2.12 H new ATOM 0 HG2 GLU A 66 21.299 5.806 -3.300 1.00 74.21 H new ATOM 0 HG3 GLU A 66 20.576 7.400 -3.210 1.00 74.21 H new ATOM 1003 N TYR A 67 19.583 3.360 -3.559 1.00 2.54 N ATOM 1004 CA TYR A 67 20.201 2.371 -4.425 1.00 70.14 C ATOM 1005 C TYR A 67 19.423 2.227 -5.735 1.00 15.44 C ATOM 1006 O TYR A 67 20.001 1.913 -6.773 1.00 20.34 O ATOM 1007 CB TYR A 67 20.142 1.046 -3.662 1.00 71.01 C ATOM 1008 CG TYR A 67 20.713 -0.143 -4.436 1.00 33.43 C ATOM 1009 CD1 TYR A 67 22.067 -0.405 -4.399 1.00 25.24 C ATOM 1010 CD2 TYR A 67 19.874 -0.955 -5.171 1.00 73.53 C ATOM 1011 CE1 TYR A 67 22.605 -1.525 -5.128 1.00 12.44 C ATOM 1012 CE2 TYR A 67 20.410 -2.076 -5.900 1.00 50.13 C ATOM 1013 CZ TYR A 67 21.750 -2.305 -5.842 1.00 70.00 C ATOM 1014 OH TYR A 67 22.257 -3.362 -6.530 1.00 1.15 O ATOM 0 H TYR A 67 19.446 3.056 -2.595 1.00 2.54 H new ATOM 0 HA TYR A 67 21.221 2.664 -4.675 1.00 70.14 H new ATOM 0 HB2 TYR A 67 20.689 1.153 -2.725 1.00 71.01 H new ATOM 0 HB3 TYR A 67 19.105 0.834 -3.403 1.00 71.01 H new ATOM 0 HD1 TYR A 67 22.724 0.230 -3.823 1.00 25.24 H new ATOM 0 HD2 TYR A 67 18.814 -0.750 -5.200 1.00 73.53 H new ATOM 0 HE1 TYR A 67 23.663 -1.740 -5.108 1.00 12.44 H new ATOM 0 HE2 TYR A 67 19.764 -2.719 -6.479 1.00 50.13 H new ATOM 0 HH TYR A 67 21.572 -4.058 -6.611 1.00 1.15 H new ATOM 1024 N LEU A 68 18.122 2.464 -5.642 1.00 3.24 N ATOM 1025 CA LEU A 68 17.259 2.365 -6.807 1.00 35.25 C ATOM 1026 C LEU A 68 17.418 3.623 -7.662 1.00 53.11 C ATOM 1027 O LEU A 68 17.311 3.563 -8.887 1.00 15.43 O ATOM 1028 CB LEU A 68 15.816 2.088 -6.381 1.00 63.11 C ATOM 1029 CG LEU A 68 15.451 0.618 -6.162 1.00 65.23 C ATOM 1030 CD1 LEU A 68 14.023 0.481 -5.632 1.00 12.31 C ATOM 1031 CD2 LEU A 68 15.668 -0.196 -7.440 1.00 71.44 C ATOM 0 H LEU A 68 17.645 2.724 -4.779 1.00 3.24 H new ATOM 0 HA LEU A 68 17.552 1.519 -7.428 1.00 35.25 H new ATOM 0 HB2 LEU A 68 15.620 2.632 -5.457 1.00 63.11 H new ATOM 0 HB3 LEU A 68 15.149 2.498 -7.139 1.00 63.11 H new ATOM 0 HG LEU A 68 16.117 0.210 -5.402 1.00 65.23 H new ATOM 0 HD11 LEU A 68 13.789 -0.573 -5.485 1.00 12.31 H new ATOM 0 HD12 LEU A 68 13.935 1.008 -4.682 1.00 12.31 H new ATOM 0 HD13 LEU A 68 13.325 0.911 -6.351 1.00 12.31 H new ATOM 0 HD21 LEU A 68 15.401 -1.237 -7.258 1.00 71.44 H new ATOM 0 HD22 LEU A 68 15.042 0.205 -8.237 1.00 71.44 H new ATOM 0 HD23 LEU A 68 16.715 -0.136 -7.736 1.00 71.44 H new ATOM 1043 N GLU A 69 17.670 4.733 -6.985 1.00 15.25 N ATOM 1044 CA GLU A 69 17.844 6.004 -7.667 1.00 72.12 C ATOM 1045 C GLU A 69 19.156 6.009 -8.453 1.00 22.31 C ATOM 1046 O GLU A 69 19.261 6.665 -9.488 1.00 70.33 O ATOM 1047 CB GLU A 69 17.794 7.170 -6.677 1.00 51.12 C ATOM 1048 CG GLU A 69 18.162 8.488 -7.363 1.00 33.34 C ATOM 1049 CD GLU A 69 17.718 9.685 -6.522 1.00 54.43 C ATOM 1050 OE1 GLU A 69 17.831 10.835 -6.972 1.00 2.44 O ATOM 1051 OE2 GLU A 69 17.237 9.390 -5.362 1.00 3.24 O1- ATOM 0 H GLU A 69 17.758 4.779 -5.970 1.00 15.25 H new ATOM 0 HA GLU A 69 17.021 6.132 -8.370 1.00 72.12 H new ATOM 0 HB2 GLU A 69 16.795 7.245 -6.249 1.00 51.12 H new ATOM 0 HB3 GLU A 69 18.481 6.981 -5.852 1.00 51.12 H new ATOM 0 HG2 GLU A 69 19.239 8.531 -7.523 1.00 33.34 H new ATOM 0 HG3 GLU A 69 17.692 8.535 -8.345 1.00 33.34 H new ATOM 1059 N ASN A 70 20.123 5.269 -7.932 1.00 1.34 N ATOM 1060 CA ASN A 70 21.425 5.180 -8.572 1.00 62.35 C ATOM 1061 C ASN A 70 22.254 4.093 -7.885 1.00 55.43 C ATOM 1062 O ASN A 70 23.039 4.383 -6.984 1.00 45.53 O ATOM 1063 CB ASN A 70 22.188 6.501 -8.456 1.00 44.13 C ATOM 1064 CG ASN A 70 23.389 6.526 -9.405 1.00 34.34 C ATOM 1065 OD1 ASN A 70 23.741 5.539 -10.028 1.00 35.54 O ATOM 1066 ND2 ASN A 70 23.995 7.707 -9.478 1.00 0.54 N ATOM 0 H ASN A 70 20.031 4.725 -7.074 1.00 1.34 H new ATOM 0 HA ASN A 70 21.267 4.946 -9.625 1.00 62.35 H new ATOM 0 HB2 ASN A 70 21.521 7.332 -8.686 1.00 44.13 H new ATOM 0 HB3 ASN A 70 22.528 6.640 -7.430 1.00 44.13 H new ATOM 0 HD21 ASN A 70 24.807 7.827 -10.083 1.00 0.54 H new ATOM 0 HD22 ASN A 70 23.648 8.493 -8.929 1.00 0.54 H new ATOM 1073 N PRO A 71 22.045 2.831 -8.347 1.00 54.04 N ATOM 1074 CA PRO A 71 22.763 1.701 -7.787 1.00 32.44 C ATOM 1075 C PRO A 71 24.213 1.675 -8.274 1.00 41.31 C ATOM 1076 O PRO A 71 25.112 1.267 -7.539 1.00 74.34 O ATOM 1077 CB PRO A 71 21.970 0.477 -8.220 1.00 13.22 C ATOM 1078 CG PRO A 71 21.109 0.931 -9.386 1.00 74.42 C ATOM 1079 CD PRO A 71 21.122 2.451 -9.413 1.00 62.30 C ATOM 0 HA PRO A 71 22.838 1.748 -6.701 1.00 32.44 H new ATOM 0 HB2 PRO A 71 22.635 -0.334 -8.518 1.00 13.22 H new ATOM 0 HB3 PRO A 71 21.354 0.101 -7.403 1.00 13.22 H new ATOM 0 HG2 PRO A 71 21.494 0.530 -10.323 1.00 74.42 H new ATOM 0 HG3 PRO A 71 20.090 0.560 -9.275 1.00 74.42 H new ATOM 0 HD2 PRO A 71 21.457 2.827 -10.380 1.00 62.30 H new ATOM 0 HD3 PRO A 71 20.126 2.859 -9.239 1.00 62.30 H new ATOM 1087 N LYS A 72 24.397 2.117 -9.509 1.00 40.44 N ATOM 1088 CA LYS A 72 25.722 2.152 -10.102 1.00 22.32 C ATOM 1089 C LYS A 72 26.638 3.026 -9.243 1.00 63.53 C ATOM 1090 O LYS A 72 27.847 2.803 -9.194 1.00 45.42 O ATOM 1091 CB LYS A 72 25.644 2.594 -11.565 1.00 54.30 C ATOM 1092 CG LYS A 72 26.995 2.428 -12.262 1.00 41.01 C ATOM 1093 CD LYS A 72 27.124 1.038 -12.885 1.00 72.43 C ATOM 1094 CE LYS A 72 27.399 -0.021 -11.815 1.00 51.53 C ATOM 1095 NZ LYS A 72 28.189 -1.137 -12.381 1.00 51.14 N1+ ATOM 0 H LYS A 72 23.649 2.454 -10.116 1.00 40.44 H new ATOM 0 HA LYS A 72 26.158 1.153 -10.119 1.00 22.32 H new ATOM 0 HB2 LYS A 72 24.888 2.007 -12.086 1.00 54.30 H new ATOM 0 HB3 LYS A 72 25.330 3.636 -11.617 1.00 54.30 H new ATOM 0 HG2 LYS A 72 27.105 3.188 -13.035 1.00 41.01 H new ATOM 0 HG3 LYS A 72 27.800 2.585 -11.544 1.00 41.01 H new ATOM 0 HD2 LYS A 72 26.208 0.789 -13.420 1.00 72.43 H new ATOM 0 HD3 LYS A 72 27.931 1.038 -13.618 1.00 72.43 H new ATOM 0 HE2 LYS A 72 27.938 0.428 -10.981 1.00 51.53 H new ATOM 0 HE3 LYS A 72 26.457 -0.399 -11.419 1.00 51.53 H new ATOM 0 HZ1 LYS A 72 28.678 -1.641 -11.613 1.00 51.14 H new ATOM 0 HZ2 LYS A 72 27.555 -1.795 -12.878 1.00 51.14 H new ATOM 0 HZ3 LYS A 72 28.891 -0.761 -13.050 1.00 51.14 H new ATOM 1108 N LYS A 73 26.028 4.003 -8.590 1.00 4.23 N ATOM 1109 CA LYS A 73 26.774 4.912 -7.736 1.00 34.14 C ATOM 1110 C LYS A 73 27.004 4.252 -6.374 1.00 2.10 C ATOM 1111 O LYS A 73 28.146 4.079 -5.951 1.00 35.44 O ATOM 1112 CB LYS A 73 26.068 6.267 -7.650 1.00 1.20 C ATOM 1113 CG LYS A 73 26.768 7.187 -6.648 1.00 32.13 C ATOM 1114 CD LYS A 73 25.774 8.160 -6.011 1.00 55.50 C ATOM 1115 CE LYS A 73 25.149 7.559 -4.750 1.00 5.11 C ATOM 1116 NZ LYS A 73 24.218 6.464 -5.104 1.00 51.34 N1+ ATOM 0 H LYS A 73 25.025 4.186 -8.635 1.00 4.23 H new ATOM 0 HA LYS A 73 27.756 5.116 -8.163 1.00 34.14 H new ATOM 0 HB2 LYS A 73 26.055 6.737 -8.633 1.00 1.20 H new ATOM 0 HB3 LYS A 73 25.030 6.122 -7.352 1.00 1.20 H new ATOM 0 HG2 LYS A 73 27.246 6.589 -5.872 1.00 32.13 H new ATOM 0 HG3 LYS A 73 27.557 7.745 -7.151 1.00 32.13 H new ATOM 0 HD2 LYS A 73 26.281 9.092 -5.761 1.00 55.50 H new ATOM 0 HD3 LYS A 73 24.990 8.406 -6.728 1.00 55.50 H new ATOM 0 HE2 LYS A 73 25.933 7.180 -4.094 1.00 5.11 H new ATOM 0 HE3 LYS A 73 24.616 8.333 -4.197 1.00 5.11 H new ATOM 0 HZ1 LYS A 73 23.907 5.979 -4.238 1.00 51.34 H new ATOM 0 HZ2 LYS A 73 23.391 6.857 -5.597 1.00 51.34 H new ATOM 0 HZ3 LYS A 73 24.701 5.785 -5.727 1.00 51.34 H new ATOM 1129 N TYR A 74 25.902 3.903 -5.727 1.00 21.02 N ATOM 1130 CA TYR A 74 25.970 3.266 -4.423 1.00 11.41 C ATOM 1131 C TYR A 74 27.074 2.207 -4.386 1.00 42.23 C ATOM 1132 O TYR A 74 27.687 1.980 -3.344 1.00 73.43 O ATOM 1133 CB TYR A 74 24.617 2.583 -4.217 1.00 34.24 C ATOM 1134 CG TYR A 74 24.236 2.389 -2.748 1.00 13.51 C ATOM 1135 CD1 TYR A 74 25.019 1.600 -1.930 1.00 0.20 C ATOM 1136 CD2 TYR A 74 23.109 3.003 -2.241 1.00 55.13 C ATOM 1137 CE1 TYR A 74 24.659 1.418 -0.547 1.00 65.02 C ATOM 1138 CE2 TYR A 74 22.749 2.821 -0.858 1.00 30.14 C ATOM 1139 CZ TYR A 74 23.543 2.038 -0.079 1.00 60.53 C ATOM 1140 OH TYR A 74 23.203 1.865 1.227 1.00 63.13 O ATOM 0 H TYR A 74 24.957 4.049 -6.082 1.00 21.02 H new ATOM 0 HA TYR A 74 26.190 4.000 -3.648 1.00 11.41 H new ATOM 0 HB2 TYR A 74 23.844 3.175 -4.707 1.00 34.24 H new ATOM 0 HB3 TYR A 74 24.634 1.611 -4.709 1.00 34.24 H new ATOM 0 HD1 TYR A 74 25.901 1.119 -2.326 1.00 0.20 H new ATOM 0 HD2 TYR A 74 22.496 3.620 -2.881 1.00 55.13 H new ATOM 0 HE1 TYR A 74 25.262 0.803 0.104 1.00 65.02 H new ATOM 0 HE2 TYR A 74 21.869 3.295 -0.449 1.00 30.14 H new ATOM 0 HH TYR A 74 22.384 2.367 1.421 1.00 63.13 H new ATOM 1150 N ILE A 75 27.295 1.589 -5.537 1.00 35.22 N ATOM 1151 CA ILE A 75 28.313 0.559 -5.650 1.00 2.31 C ATOM 1152 C ILE A 75 28.998 0.673 -7.014 1.00 30.40 C ATOM 1153 O ILE A 75 28.556 0.060 -7.986 1.00 3.45 O ATOM 1154 CB ILE A 75 27.713 -0.821 -5.375 1.00 64.10 C ATOM 1155 CG1 ILE A 75 26.845 -0.801 -4.116 1.00 71.04 C ATOM 1156 CG2 ILE A 75 28.807 -1.889 -5.299 1.00 52.55 C ATOM 1157 CD1 ILE A 75 26.619 -2.216 -3.582 1.00 1.01 C ATOM 0 H ILE A 75 26.786 1.782 -6.400 1.00 35.22 H new ATOM 0 HA ILE A 75 29.084 0.701 -4.893 1.00 2.31 H new ATOM 0 HB ILE A 75 27.063 -1.083 -6.210 1.00 64.10 H new ATOM 0 HG12 ILE A 75 27.324 -0.192 -3.350 1.00 71.04 H new ATOM 0 HG13 ILE A 75 25.885 -0.335 -4.339 1.00 71.04 H new ATOM 0 HG21 ILE A 75 28.354 -2.861 -5.103 1.00 52.55 H new ATOM 0 HG22 ILE A 75 29.347 -1.925 -6.245 1.00 52.55 H new ATOM 0 HG23 ILE A 75 29.500 -1.643 -4.495 1.00 52.55 H new ATOM 0 HD11 ILE A 75 25.999 -2.172 -2.687 1.00 1.01 H new ATOM 0 HD12 ILE A 75 26.118 -2.816 -4.342 1.00 1.01 H new ATOM 0 HD13 ILE A 75 27.579 -2.670 -3.336 1.00 1.01 H new ATOM 1169 N PRO A 76 30.092 1.480 -7.043 1.00 75.43 N ATOM 1170 CA PRO A 76 30.841 1.681 -8.272 1.00 60.41 C ATOM 1171 C PRO A 76 31.694 0.454 -8.601 1.00 71.21 C ATOM 1172 O PRO A 76 32.600 0.104 -7.846 1.00 23.43 O ATOM 1173 CB PRO A 76 31.668 2.932 -8.028 1.00 52.32 C ATOM 1174 CG PRO A 76 31.706 3.120 -6.521 1.00 32.44 C ATOM 1175 CD PRO A 76 30.642 2.220 -5.912 1.00 2.31 C ATOM 0 HA PRO A 76 30.197 1.809 -9.142 1.00 60.41 H new ATOM 0 HB2 PRO A 76 32.674 2.820 -8.433 1.00 52.32 H new ATOM 0 HB3 PRO A 76 31.221 3.797 -8.518 1.00 52.32 H new ATOM 0 HG2 PRO A 76 32.691 2.866 -6.129 1.00 32.44 H new ATOM 0 HG3 PRO A 76 31.519 4.162 -6.261 1.00 32.44 H new ATOM 0 HD2 PRO A 76 31.070 1.547 -5.169 1.00 2.31 H new ATOM 0 HD3 PRO A 76 29.871 2.803 -5.408 1.00 2.31 H new ATOM 1183 N GLY A 77 31.375 -0.165 -9.728 1.00 41.14 N ATOM 1184 CA GLY A 77 32.101 -1.344 -10.166 1.00 61.20 C ATOM 1185 C GLY A 77 31.232 -2.598 -10.050 1.00 2.42 C ATOM 1186 O GLY A 77 31.618 -3.670 -10.513 1.00 31.14 O ATOM 0 H GLY A 77 30.623 0.128 -10.351 1.00 41.14 H new ATOM 0 HA2 GLY A 77 32.422 -1.214 -11.199 1.00 61.20 H new ATOM 0 HA3 GLY A 77 33.002 -1.465 -9.565 1.00 61.20 H new ATOM 1190 N THR A 78 30.074 -2.422 -9.430 1.00 45.32 N ATOM 1191 CA THR A 78 29.147 -3.525 -9.248 1.00 52.32 C ATOM 1192 C THR A 78 28.888 -4.229 -10.581 1.00 15.00 C ATOM 1193 O THR A 78 29.311 -3.751 -11.632 1.00 74.51 O ATOM 1194 CB THR A 78 27.878 -2.973 -8.595 1.00 44.04 C ATOM 1195 OG1 THR A 78 26.951 -4.053 -8.671 1.00 51.42 O ATOM 1196 CG2 THR A 78 27.228 -1.864 -9.425 1.00 71.52 C ATOM 0 H THR A 78 29.757 -1.531 -9.047 1.00 45.32 H new ATOM 0 HA THR A 78 29.563 -4.287 -8.589 1.00 52.32 H new ATOM 0 HB THR A 78 28.117 -2.591 -7.602 1.00 44.04 H new ATOM 0 HG1 THR A 78 26.100 -3.782 -8.268 1.00 51.42 H new ATOM 0 HG21 THR A 78 26.332 -1.507 -8.917 1.00 71.52 H new ATOM 0 HG22 THR A 78 27.931 -1.039 -9.544 1.00 71.52 H new ATOM 0 HG23 THR A 78 26.958 -2.255 -10.406 1.00 71.52 H new ATOM 1204 N LYS A 79 28.194 -5.354 -10.494 1.00 35.35 N ATOM 1205 CA LYS A 79 27.872 -6.130 -11.680 1.00 23.13 C ATOM 1206 C LYS A 79 26.461 -5.774 -12.150 1.00 32.14 C ATOM 1207 O LYS A 79 26.084 -6.081 -13.279 1.00 61.34 O ATOM 1208 CB LYS A 79 28.074 -7.623 -11.415 1.00 4.04 C ATOM 1209 CG LYS A 79 29.322 -7.864 -10.562 1.00 33.42 C ATOM 1210 CD LYS A 79 29.915 -9.247 -10.838 1.00 24.30 C ATOM 1211 CE LYS A 79 29.304 -10.302 -9.913 1.00 10.21 C ATOM 1212 NZ LYS A 79 29.655 -11.664 -10.375 1.00 45.34 N1+ ATOM 0 H LYS A 79 27.845 -5.747 -9.620 1.00 35.35 H new ATOM 0 HA LYS A 79 28.552 -5.880 -12.495 1.00 23.13 H new ATOM 0 HB2 LYS A 79 27.198 -8.028 -10.908 1.00 4.04 H new ATOM 0 HB3 LYS A 79 28.168 -8.155 -12.362 1.00 4.04 H new ATOM 0 HG2 LYS A 79 30.066 -7.096 -10.774 1.00 33.42 H new ATOM 0 HG3 LYS A 79 29.067 -7.778 -9.506 1.00 33.42 H new ATOM 0 HD2 LYS A 79 29.736 -9.522 -11.877 1.00 24.30 H new ATOM 0 HD3 LYS A 79 30.996 -9.218 -10.698 1.00 24.30 H new ATOM 0 HE2 LYS A 79 29.664 -10.153 -8.895 1.00 10.21 H new ATOM 0 HE3 LYS A 79 28.220 -10.188 -9.888 1.00 10.21 H new ATOM 0 HZ1 LYS A 79 29.232 -12.367 -9.736 1.00 45.34 H new ATOM 0 HZ2 LYS A 79 29.291 -11.808 -11.338 1.00 45.34 H new ATOM 0 HZ3 LYS A 79 30.689 -11.775 -10.376 1.00 45.34 H new ATOM 1225 N MET A 80 25.720 -5.133 -11.259 1.00 75.05 N ATOM 1226 CA MET A 80 24.357 -4.732 -11.569 1.00 44.10 C ATOM 1227 C MET A 80 24.272 -4.112 -12.965 1.00 15.21 C ATOM 1228 O MET A 80 24.588 -2.937 -13.147 1.00 11.50 O ATOM 1229 CB MET A 80 23.874 -3.719 -10.529 1.00 41.23 C ATOM 1230 CG MET A 80 23.619 -4.396 -9.182 1.00 12.33 C ATOM 1231 SD MET A 80 21.946 -5.014 -9.116 1.00 55.50 S ATOM 1232 CE MET A 80 21.044 -3.474 -9.174 1.00 4.13 C ATOM 0 H MET A 80 26.037 -4.881 -10.323 1.00 75.05 H new ATOM 0 HA MET A 80 23.723 -5.618 -11.547 1.00 44.10 H new ATOM 0 HB2 MET A 80 24.619 -2.932 -10.409 1.00 41.23 H new ATOM 0 HB3 MET A 80 22.959 -3.241 -10.879 1.00 41.23 H new ATOM 0 HG2 MET A 80 24.324 -5.215 -9.038 1.00 12.33 H new ATOM 0 HG3 MET A 80 23.785 -3.686 -8.372 1.00 12.33 H new ATOM 0 HE1 MET A 80 20.227 -3.504 -8.454 1.00 4.13 H new ATOM 0 HE2 MET A 80 21.714 -2.650 -8.929 1.00 4.13 H new ATOM 0 HE3 MET A 80 20.640 -3.327 -10.175 1.00 4.13 H new ATOM 1242 N ILE A 81 23.844 -4.929 -13.915 1.00 73.13 N ATOM 1243 CA ILE A 81 23.712 -4.475 -15.289 1.00 63.41 C ATOM 1244 C ILE A 81 22.634 -3.392 -15.364 1.00 63.43 C ATOM 1245 O ILE A 81 22.587 -2.622 -16.323 1.00 21.32 O ATOM 1246 CB ILE A 81 23.459 -5.660 -16.223 1.00 65.11 C ATOM 1247 CG1 ILE A 81 24.762 -6.398 -16.540 1.00 3.45 C ATOM 1248 CG2 ILE A 81 22.732 -5.212 -17.493 1.00 43.10 C ATOM 1249 CD1 ILE A 81 25.034 -7.495 -15.508 1.00 64.30 C ATOM 0 H ILE A 81 23.584 -5.903 -13.761 1.00 73.13 H new ATOM 0 HA ILE A 81 24.643 -4.022 -15.631 1.00 63.41 H new ATOM 0 HB ILE A 81 22.806 -6.365 -15.709 1.00 65.11 H new ATOM 0 HG12 ILE A 81 24.703 -6.837 -17.536 1.00 3.45 H new ATOM 0 HG13 ILE A 81 25.591 -5.691 -16.552 1.00 3.45 H new ATOM 0 HG21 ILE A 81 22.565 -6.073 -18.139 1.00 43.10 H new ATOM 0 HG22 ILE A 81 21.773 -4.767 -17.226 1.00 43.10 H new ATOM 0 HG23 ILE A 81 23.339 -4.476 -18.020 1.00 43.10 H new ATOM 0 HD11 ILE A 81 25.965 -8.005 -15.755 1.00 64.30 H new ATOM 0 HD12 ILE A 81 25.116 -7.050 -14.517 1.00 64.30 H new ATOM 0 HD13 ILE A 81 24.214 -8.213 -15.516 1.00 64.30 H new ATOM 1261 N PHE A 82 21.794 -3.367 -14.340 1.00 51.30 N ATOM 1262 CA PHE A 82 20.719 -2.391 -14.277 1.00 2.04 C ATOM 1263 C PHE A 82 21.227 -0.993 -14.636 1.00 11.53 C ATOM 1264 O PHE A 82 22.434 -0.767 -14.716 1.00 33.35 O ATOM 1265 CB PHE A 82 20.208 -2.381 -12.835 1.00 11.41 C ATOM 1266 CG PHE A 82 18.828 -1.743 -12.669 1.00 52.20 C ATOM 1267 CD1 PHE A 82 17.800 -2.126 -13.472 1.00 64.53 C ATOM 1268 CD2 PHE A 82 18.628 -0.791 -11.717 1.00 24.33 C ATOM 1269 CE1 PHE A 82 16.519 -1.534 -13.318 1.00 62.32 C ATOM 1270 CE2 PHE A 82 17.346 -0.199 -11.563 1.00 21.13 C ATOM 1271 CZ PHE A 82 16.319 -0.583 -12.367 1.00 52.30 C ATOM 0 H PHE A 82 21.836 -4.007 -13.547 1.00 51.30 H new ATOM 0 HA PHE A 82 19.933 -2.656 -14.985 1.00 2.04 H new ATOM 0 HB2 PHE A 82 20.170 -3.406 -12.467 1.00 11.41 H new ATOM 0 HB3 PHE A 82 20.923 -1.845 -12.211 1.00 11.41 H new ATOM 0 HD1 PHE A 82 17.958 -2.881 -14.228 1.00 64.53 H new ATOM 0 HD2 PHE A 82 19.444 -0.486 -11.079 1.00 24.33 H new ATOM 0 HE1 PHE A 82 15.703 -1.839 -13.956 1.00 62.32 H new ATOM 0 HE2 PHE A 82 17.187 0.556 -10.807 1.00 21.13 H new ATOM 0 HZ PHE A 82 15.344 -0.133 -12.250 1.00 52.30 H new ATOM 1281 N VAL A 83 20.280 -0.089 -14.842 1.00 11.14 N ATOM 1282 CA VAL A 83 20.616 1.281 -15.189 1.00 50.45 C ATOM 1283 C VAL A 83 20.116 2.219 -14.088 1.00 64.23 C ATOM 1284 O VAL A 83 20.832 3.128 -13.670 1.00 22.41 O ATOM 1285 CB VAL A 83 20.051 1.625 -16.569 1.00 72.20 C ATOM 1286 CG1 VAL A 83 20.973 1.117 -17.680 1.00 12.30 C ATOM 1287 CG2 VAL A 83 18.635 1.070 -16.735 1.00 22.20 C ATOM 0 H VAL A 83 19.280 -0.279 -14.775 1.00 11.14 H new ATOM 0 HA VAL A 83 21.697 1.404 -15.255 1.00 50.45 H new ATOM 0 HB VAL A 83 19.997 2.711 -16.649 1.00 72.20 H new ATOM 0 HG11 VAL A 83 20.549 1.374 -18.651 1.00 12.30 H new ATOM 0 HG12 VAL A 83 21.954 1.580 -17.579 1.00 12.30 H new ATOM 0 HG13 VAL A 83 21.073 0.034 -17.603 1.00 12.30 H new ATOM 0 HG21 VAL A 83 18.257 1.328 -17.724 1.00 22.20 H new ATOM 0 HG22 VAL A 83 18.654 -0.014 -16.626 1.00 22.20 H new ATOM 0 HG23 VAL A 83 17.984 1.500 -15.974 1.00 22.20 H new ATOM 1297 N GLY A 84 18.892 1.967 -13.651 1.00 42.12 N ATOM 1298 CA GLY A 84 18.288 2.778 -12.607 1.00 22.32 C ATOM 1299 C GLY A 84 16.847 3.149 -12.965 1.00 4.23 C ATOM 1300 O GLY A 84 16.343 2.752 -14.014 1.00 44.21 O ATOM 0 H GLY A 84 18.301 1.213 -14.000 1.00 42.12 H new ATOM 0 HA2 GLY A 84 18.303 2.233 -11.663 1.00 22.32 H new ATOM 0 HA3 GLY A 84 18.875 3.685 -12.461 1.00 22.32 H new ATOM 1304 N ILE A 85 16.226 3.904 -12.072 1.00 0.21 N ATOM 1305 CA ILE A 85 14.853 4.334 -12.280 1.00 22.34 C ATOM 1306 C ILE A 85 14.746 5.836 -12.008 1.00 73.43 C ATOM 1307 O ILE A 85 15.473 6.372 -11.174 1.00 55.21 O ATOM 1308 CB ILE A 85 13.894 3.486 -11.442 1.00 13.11 C ATOM 1309 CG1 ILE A 85 14.245 2.000 -11.541 1.00 31.10 C ATOM 1310 CG2 ILE A 85 12.439 3.759 -11.830 1.00 13.43 C ATOM 1311 CD1 ILE A 85 13.234 1.146 -10.773 1.00 71.13 C ATOM 0 H ILE A 85 16.648 4.230 -11.202 1.00 0.21 H new ATOM 0 HA ILE A 85 14.557 4.177 -13.317 1.00 22.34 H new ATOM 0 HB ILE A 85 14.008 3.774 -10.397 1.00 13.11 H new ATOM 0 HG12 ILE A 85 14.263 1.696 -12.588 1.00 31.10 H new ATOM 0 HG13 ILE A 85 15.246 1.832 -11.143 1.00 31.10 H new ATOM 0 HG21 ILE A 85 11.778 3.144 -11.220 1.00 13.43 H new ATOM 0 HG22 ILE A 85 12.210 4.812 -11.665 1.00 13.43 H new ATOM 0 HG23 ILE A 85 12.291 3.516 -12.882 1.00 13.43 H new ATOM 0 HD11 ILE A 85 13.506 0.094 -10.859 1.00 71.13 H new ATOM 0 HD12 ILE A 85 13.236 1.436 -9.722 1.00 71.13 H new ATOM 0 HD13 ILE A 85 12.238 1.298 -11.189 1.00 71.13 H new ATOM 1323 N LYS A 86 13.833 6.471 -12.728 1.00 70.13 N ATOM 1324 CA LYS A 86 13.621 7.900 -12.575 1.00 52.41 C ATOM 1325 C LYS A 86 12.341 8.138 -11.772 1.00 72.24 C ATOM 1326 O LYS A 86 12.275 9.059 -10.959 1.00 12.14 O ATOM 1327 CB LYS A 86 13.629 8.592 -13.940 1.00 14.22 C ATOM 1328 CG LYS A 86 14.060 10.055 -13.810 1.00 24.43 C ATOM 1329 CD LYS A 86 12.876 10.944 -13.426 1.00 71.23 C ATOM 1330 CE LYS A 86 13.356 12.278 -12.853 1.00 51.35 C ATOM 1331 NZ LYS A 86 12.335 13.330 -13.063 1.00 32.04 N1+ ATOM 0 H LYS A 86 13.232 6.022 -13.419 1.00 70.13 H new ATOM 0 HA LYS A 86 14.439 8.349 -12.011 1.00 52.41 H new ATOM 0 HB2 LYS A 86 14.307 8.068 -14.614 1.00 14.22 H new ATOM 0 HB3 LYS A 86 12.635 8.540 -14.384 1.00 14.22 H new ATOM 0 HG2 LYS A 86 14.843 10.141 -13.057 1.00 24.43 H new ATOM 0 HG3 LYS A 86 14.486 10.398 -14.753 1.00 24.43 H new ATOM 0 HD2 LYS A 86 12.252 11.124 -14.302 1.00 71.23 H new ATOM 0 HD3 LYS A 86 12.255 10.431 -12.692 1.00 71.23 H new ATOM 0 HE2 LYS A 86 13.562 12.170 -11.788 1.00 51.35 H new ATOM 0 HE3 LYS A 86 14.291 12.570 -13.330 1.00 51.35 H new ATOM 0 HZ1 LYS A 86 12.677 14.229 -12.668 1.00 32.04 H new ATOM 0 HZ2 LYS A 86 12.158 13.444 -14.082 1.00 32.04 H new ATOM 0 HZ3 LYS A 86 11.452 13.056 -12.587 1.00 32.04 H new ATOM 1344 N LYS A 87 11.354 7.292 -12.028 1.00 51.43 N ATOM 1345 CA LYS A 87 10.078 7.399 -11.339 1.00 71.11 C ATOM 1346 C LYS A 87 10.220 6.839 -9.923 1.00 30.25 C ATOM 1347 O LYS A 87 10.338 5.628 -9.739 1.00 52.34 O ATOM 1348 CB LYS A 87 8.971 6.731 -12.157 1.00 51.42 C ATOM 1349 CG LYS A 87 8.613 7.570 -13.385 1.00 42.12 C ATOM 1350 CD LYS A 87 8.003 8.912 -12.974 1.00 3.45 C ATOM 1351 CE LYS A 87 6.949 8.723 -11.881 1.00 15.15 C ATOM 1352 NZ LYS A 87 7.585 8.698 -10.545 1.00 2.13 N1+ ATOM 0 H LYS A 87 11.412 6.529 -12.703 1.00 51.43 H new ATOM 0 HA LYS A 87 9.784 8.444 -11.241 1.00 71.11 H new ATOM 0 HB2 LYS A 87 9.295 5.739 -12.472 1.00 51.42 H new ATOM 0 HB3 LYS A 87 8.086 6.595 -11.535 1.00 51.42 H new ATOM 0 HG2 LYS A 87 9.506 7.741 -13.986 1.00 42.12 H new ATOM 0 HG3 LYS A 87 7.908 7.023 -14.011 1.00 42.12 H new ATOM 0 HD2 LYS A 87 8.788 9.578 -12.616 1.00 3.45 H new ATOM 0 HD3 LYS A 87 7.550 9.391 -13.842 1.00 3.45 H new ATOM 0 HE2 LYS A 87 6.219 9.532 -11.928 1.00 15.15 H new ATOM 0 HE3 LYS A 87 6.406 7.793 -12.049 1.00 15.15 H new ATOM 0 HZ1 LYS A 87 6.894 8.992 -9.826 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 7.915 7.734 -10.335 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 8.395 9.351 -10.534 1.00 2.13 H new ATOM 1365 N LYS A 88 10.205 7.747 -8.957 1.00 73.34 N ATOM 1366 CA LYS A 88 10.330 7.358 -7.564 1.00 10.55 C ATOM 1367 C LYS A 88 9.131 6.495 -7.169 1.00 15.32 C ATOM 1368 O LYS A 88 9.166 5.805 -6.150 1.00 51.24 O ATOM 1369 CB LYS A 88 10.518 8.593 -6.678 1.00 73.43 C ATOM 1370 CG LYS A 88 9.168 9.154 -6.227 1.00 35.34 C ATOM 1371 CD LYS A 88 8.379 9.707 -7.415 1.00 1.31 C ATOM 1372 CE LYS A 88 6.937 10.028 -7.014 1.00 44.14 C ATOM 1373 NZ LYS A 88 6.898 11.209 -6.122 1.00 21.31 N1+ ATOM 0 H LYS A 88 10.108 8.750 -9.113 1.00 73.34 H new ATOM 0 HA LYS A 88 11.222 6.749 -7.417 1.00 10.55 H new ATOM 0 HB2 LYS A 88 11.117 8.332 -5.806 1.00 73.43 H new ATOM 0 HB3 LYS A 88 11.069 9.358 -7.226 1.00 73.43 H new ATOM 0 HG2 LYS A 88 8.591 8.371 -5.736 1.00 35.34 H new ATOM 0 HG3 LYS A 88 9.326 9.943 -5.492 1.00 35.34 H new ATOM 0 HD2 LYS A 88 8.865 10.607 -7.791 1.00 1.31 H new ATOM 0 HD3 LYS A 88 8.381 8.980 -8.228 1.00 1.31 H new ATOM 0 HE2 LYS A 88 6.339 10.218 -7.905 1.00 44.14 H new ATOM 0 HE3 LYS A 88 6.494 9.169 -6.510 1.00 44.14 H new ATOM 0 HZ1 LYS A 88 5.913 11.413 -5.859 1.00 21.31 H new ATOM 0 HZ2 LYS A 88 7.452 11.014 -5.264 1.00 21.31 H new ATOM 0 HZ3 LYS A 88 7.302 12.030 -6.616 1.00 21.31 H new ATOM 1386 N GLU A 89 8.097 6.561 -7.995 1.00 4.13 N ATOM 1387 CA GLU A 89 6.889 5.795 -7.745 1.00 30.31 C ATOM 1388 C GLU A 89 7.160 4.301 -7.935 1.00 34.03 C ATOM 1389 O GLU A 89 6.854 3.494 -7.057 1.00 20.11 O ATOM 1390 CB GLU A 89 5.746 6.263 -8.647 1.00 13.22 C ATOM 1391 CG GLU A 89 4.494 5.410 -8.433 1.00 72.24 C ATOM 1392 CD GLU A 89 3.255 6.100 -9.009 1.00 43.14 C ATOM 1393 OE1 GLU A 89 2.338 6.459 -8.256 1.00 43.15 O ATOM 1394 OE2 GLU A 89 3.267 6.259 -10.290 1.00 73.44 O1- ATOM 0 H GLU A 89 8.072 7.134 -8.839 1.00 4.13 H new ATOM 0 HA GLU A 89 6.584 5.961 -6.712 1.00 30.31 H new ATOM 0 HB2 GLU A 89 5.518 7.308 -8.438 1.00 13.22 H new ATOM 0 HB3 GLU A 89 6.055 6.206 -9.691 1.00 13.22 H new ATOM 0 HG2 GLU A 89 4.627 4.438 -8.907 1.00 72.24 H new ATOM 0 HG3 GLU A 89 4.351 5.228 -7.368 1.00 72.24 H new ATOM 1402 N GLU A 90 7.729 3.977 -9.086 1.00 5.05 N ATOM 1403 CA GLU A 90 8.045 2.594 -9.401 1.00 64.24 C ATOM 1404 C GLU A 90 8.992 2.011 -8.350 1.00 42.35 C ATOM 1405 O GLU A 90 8.992 0.805 -8.110 1.00 45.31 O ATOM 1406 CB GLU A 90 8.644 2.475 -10.804 1.00 25.43 C ATOM 1407 CG GLU A 90 7.787 3.217 -11.832 1.00 31.10 C ATOM 1408 CD GLU A 90 6.298 2.945 -11.603 1.00 25.43 C ATOM 1409 OE1 GLU A 90 5.923 1.820 -11.239 1.00 53.11 O ATOM 1410 OE2 GLU A 90 5.521 3.953 -11.814 1.00 24.22 O1- ATOM 0 H GLU A 90 7.980 4.648 -9.812 1.00 5.05 H new ATOM 0 HA GLU A 90 7.119 2.019 -9.386 1.00 64.24 H new ATOM 0 HB2 GLU A 90 9.655 2.882 -10.807 1.00 25.43 H new ATOM 0 HB3 GLU A 90 8.722 1.424 -11.082 1.00 25.43 H new ATOM 0 HG2 GLU A 90 7.979 4.288 -11.766 1.00 31.10 H new ATOM 0 HG3 GLU A 90 8.067 2.904 -12.838 1.00 31.10 H new ATOM 1418 N ARG A 91 9.775 2.896 -7.751 1.00 31.35 N ATOM 1419 CA ARG A 91 10.724 2.485 -6.731 1.00 20.15 C ATOM 1420 C ARG A 91 9.986 2.054 -5.462 1.00 3.32 C ATOM 1421 O ARG A 91 10.369 1.078 -4.818 1.00 1.04 O ATOM 1422 CB ARG A 91 11.692 3.620 -6.389 1.00 14.11 C ATOM 1423 CG ARG A 91 12.629 3.913 -7.562 1.00 42.25 C ATOM 1424 CD ARG A 91 13.887 4.644 -7.089 1.00 41.32 C ATOM 1425 NE ARG A 91 13.586 6.076 -6.867 1.00 5.33 N ATOM 1426 CZ ARG A 91 13.666 7.024 -7.825 1.00 1.11 C ATOM 1427 NH1 ARG A 91 14.038 6.699 -9.081 1.00 41.21 N ATOM 1428 NH2 ARG A 91 13.375 8.274 -7.515 1.00 32.24 N1+ ATOM 0 H ARG A 91 9.772 3.896 -7.953 1.00 31.35 H new ATOM 0 HA ARG A 91 11.293 1.644 -7.128 1.00 20.15 H new ATOM 0 HB2 ARG A 91 11.129 4.518 -6.135 1.00 14.11 H new ATOM 0 HB3 ARG A 91 12.277 3.351 -5.510 1.00 14.11 H new ATOM 0 HG2 ARG A 91 12.908 2.980 -8.051 1.00 42.25 H new ATOM 0 HG3 ARG A 91 12.110 4.519 -8.305 1.00 42.25 H new ATOM 0 HD2 ARG A 91 14.254 4.194 -6.167 1.00 41.32 H new ATOM 0 HD3 ARG A 91 14.678 4.541 -7.831 1.00 41.32 H new ATOM 0 HE ARG A 91 13.300 6.365 -5.931 1.00 5.33 H new ATOM 0 HH11 ARG A 91 14.261 5.731 -9.312 1.00 41.21 H new ATOM 0 HH12 ARG A 91 14.096 7.421 -9.799 1.00 41.21 H new ATOM 0 HH21 ARG A 91 13.095 8.511 -6.563 1.00 32.24 H new ATOM 0 HH22 ARG A 91 13.430 9.002 -8.227 1.00 32.24 H new ATOM 1441 N ALA A 92 8.942 2.802 -5.139 1.00 43.14 N ATOM 1442 CA ALA A 92 8.147 2.510 -3.959 1.00 61.50 C ATOM 1443 C ALA A 92 7.442 1.164 -4.145 1.00 12.24 C ATOM 1444 O ALA A 92 7.608 0.256 -3.333 1.00 11.23 O ATOM 1445 CB ALA A 92 7.162 3.654 -3.710 1.00 62.14 C ATOM 0 H ALA A 92 8.628 3.611 -5.675 1.00 43.14 H new ATOM 0 HA ALA A 92 8.784 2.431 -3.078 1.00 61.50 H new ATOM 0 HB1 ALA A 92 6.566 3.434 -2.824 1.00 62.14 H new ATOM 0 HB2 ALA A 92 7.713 4.582 -3.555 1.00 62.14 H new ATOM 0 HB3 ALA A 92 6.504 3.762 -4.573 1.00 62.14 H new ATOM 1451 N ASP A 93 6.671 1.080 -5.218 1.00 75.33 N ATOM 1452 CA ASP A 93 5.941 -0.139 -5.521 1.00 73.40 C ATOM 1453 C ASP A 93 6.922 -1.310 -5.601 1.00 31.00 C ATOM 1454 O ASP A 93 6.622 -2.409 -5.136 1.00 62.34 O ATOM 1455 CB ASP A 93 5.223 -0.032 -6.867 1.00 62.14 C ATOM 1456 CG ASP A 93 4.315 1.190 -7.021 1.00 74.20 C ATOM 1457 OD1 ASP A 93 4.012 1.625 -8.142 1.00 71.11 O ATOM 1458 OD2 ASP A 93 3.906 1.708 -5.911 1.00 64.24 O1- ATOM 0 H ASP A 93 6.536 1.836 -5.889 1.00 75.33 H new ATOM 0 HA ASP A 93 5.206 -0.295 -4.732 1.00 73.40 H new ATOM 0 HB2 ASP A 93 5.971 -0.012 -7.660 1.00 62.14 H new ATOM 0 HB3 ASP A 93 4.625 -0.931 -7.015 1.00 62.14 H new ATOM 1464 N LEU A 94 8.075 -1.035 -6.193 1.00 12.24 N ATOM 1465 CA LEU A 94 9.102 -2.052 -6.339 1.00 1.33 C ATOM 1466 C LEU A 94 9.572 -2.500 -4.954 1.00 21.32 C ATOM 1467 O LEU A 94 9.856 -3.678 -4.741 1.00 4.12 O ATOM 1468 CB LEU A 94 10.232 -1.546 -7.238 1.00 1.22 C ATOM 1469 CG LEU A 94 11.382 -2.525 -7.485 1.00 64.13 C ATOM 1470 CD1 LEU A 94 12.376 -2.510 -6.324 1.00 14.55 C ATOM 1471 CD2 LEU A 94 10.852 -3.933 -7.767 1.00 54.24 C ATOM 0 H LEU A 94 8.321 -0.123 -6.577 1.00 12.24 H new ATOM 0 HA LEU A 94 8.698 -2.933 -6.838 1.00 1.33 H new ATOM 0 HB2 LEU A 94 9.806 -1.267 -8.201 1.00 1.22 H new ATOM 0 HB3 LEU A 94 10.643 -0.638 -6.796 1.00 1.22 H new ATOM 0 HG LEU A 94 11.922 -2.199 -8.374 1.00 64.13 H new ATOM 0 HD11 LEU A 94 13.182 -3.215 -6.526 1.00 14.55 H new ATOM 0 HD12 LEU A 94 12.790 -1.508 -6.212 1.00 14.55 H new ATOM 0 HD13 LEU A 94 11.866 -2.797 -5.404 1.00 14.55 H new ATOM 0 HD21 LEU A 94 11.689 -4.609 -7.939 1.00 54.24 H new ATOM 0 HD22 LEU A 94 10.273 -4.282 -6.912 1.00 54.24 H new ATOM 0 HD23 LEU A 94 10.215 -3.912 -8.651 1.00 54.24 H new ATOM 1483 N ILE A 95 9.637 -1.536 -4.047 1.00 21.15 N ATOM 1484 CA ILE A 95 10.068 -1.817 -2.687 1.00 63.21 C ATOM 1485 C ILE A 95 8.875 -2.326 -1.874 1.00 63.41 C ATOM 1486 O ILE A 95 9.053 -2.929 -0.817 1.00 23.11 O ATOM 1487 CB ILE A 95 10.748 -0.590 -2.076 1.00 43.12 C ATOM 1488 CG1 ILE A 95 12.138 -0.377 -2.680 1.00 32.14 C ATOM 1489 CG2 ILE A 95 10.796 -0.692 -0.551 1.00 73.02 C ATOM 1490 CD1 ILE A 95 12.628 1.052 -2.438 1.00 73.24 C ATOM 0 H ILE A 95 9.399 -0.561 -4.227 1.00 21.15 H new ATOM 0 HA ILE A 95 10.820 -2.606 -2.681 1.00 63.21 H new ATOM 0 HB ILE A 95 10.151 0.289 -2.321 1.00 43.12 H new ATOM 0 HG12 ILE A 95 12.841 -1.085 -2.242 1.00 32.14 H new ATOM 0 HG13 ILE A 95 12.108 -0.578 -3.751 1.00 32.14 H new ATOM 0 HG21 ILE A 95 11.284 0.193 -0.142 1.00 73.02 H new ATOM 0 HG22 ILE A 95 9.781 -0.760 -0.159 1.00 73.02 H new ATOM 0 HG23 ILE A 95 11.357 -1.581 -0.263 1.00 73.02 H new ATOM 0 HD11 ILE A 95 13.618 1.177 -2.877 1.00 73.24 H new ATOM 0 HD12 ILE A 95 11.936 1.757 -2.898 1.00 73.24 H new ATOM 0 HD13 ILE A 95 12.680 1.242 -1.366 1.00 73.24 H new ATOM 1502 N ALA A 96 7.688 -2.067 -2.400 1.00 32.22 N ATOM 1503 CA ALA A 96 6.467 -2.492 -1.737 1.00 61.14 C ATOM 1504 C ALA A 96 6.303 -4.004 -1.900 1.00 33.13 C ATOM 1505 O ALA A 96 5.664 -4.655 -1.074 1.00 22.11 O ATOM 1506 CB ALA A 96 5.279 -1.713 -2.305 1.00 55.41 C ATOM 0 H ALA A 96 7.545 -1.568 -3.278 1.00 32.22 H new ATOM 0 HA ALA A 96 6.517 -2.278 -0.669 1.00 61.14 H new ATOM 0 HB1 ALA A 96 4.363 -2.032 -1.807 1.00 55.41 H new ATOM 0 HB2 ALA A 96 5.430 -0.646 -2.138 1.00 55.41 H new ATOM 0 HB3 ALA A 96 5.196 -1.905 -3.375 1.00 55.41 H new ATOM 1512 N TYR A 97 6.891 -4.519 -2.969 1.00 60.33 N ATOM 1513 CA TYR A 97 6.819 -5.943 -3.251 1.00 13.11 C ATOM 1514 C TYR A 97 8.075 -6.664 -2.758 1.00 22.34 C ATOM 1515 O TYR A 97 8.006 -7.814 -2.327 1.00 64.42 O ATOM 1516 CB TYR A 97 6.737 -6.068 -4.773 1.00 3.14 C ATOM 1517 CG TYR A 97 6.992 -7.483 -5.296 1.00 15.05 C ATOM 1518 CD1 TYR A 97 6.419 -8.566 -4.660 1.00 21.51 C ATOM 1519 CD2 TYR A 97 7.794 -7.677 -6.402 1.00 74.52 C ATOM 1520 CE1 TYR A 97 6.660 -9.899 -5.152 1.00 54.24 C ATOM 1521 CE2 TYR A 97 8.033 -9.009 -6.894 1.00 1.23 C ATOM 1522 CZ TYR A 97 7.454 -10.054 -6.244 1.00 73.54 C ATOM 1523 OH TYR A 97 7.680 -11.312 -6.708 1.00 60.45 O ATOM 0 H TYR A 97 7.420 -3.976 -3.651 1.00 60.33 H new ATOM 0 HA TYR A 97 5.962 -6.391 -2.748 1.00 13.11 H new ATOM 0 HB2 TYR A 97 5.750 -5.743 -5.101 1.00 3.14 H new ATOM 0 HB3 TYR A 97 7.462 -5.389 -5.223 1.00 3.14 H new ATOM 0 HD1 TYR A 97 5.791 -8.415 -3.795 1.00 21.51 H new ATOM 0 HD2 TYR A 97 8.243 -6.829 -6.899 1.00 74.52 H new ATOM 0 HE1 TYR A 97 6.219 -10.756 -4.664 1.00 54.24 H new ATOM 0 HE2 TYR A 97 8.658 -9.174 -7.759 1.00 1.23 H new ATOM 0 HH TYR A 97 8.264 -11.271 -7.494 1.00 60.45 H new ATOM 1533 N LEU A 98 9.193 -5.958 -2.838 1.00 52.20 N ATOM 1534 CA LEU A 98 10.463 -6.516 -2.405 1.00 32.23 C ATOM 1535 C LEU A 98 10.508 -6.546 -0.876 1.00 0.11 C ATOM 1536 O LEU A 98 11.342 -7.233 -0.289 1.00 31.23 O ATOM 1537 CB LEU A 98 11.628 -5.754 -3.041 1.00 12.22 C ATOM 1538 CG LEU A 98 11.870 -6.017 -4.527 1.00 61.35 C ATOM 1539 CD1 LEU A 98 13.112 -5.272 -5.022 1.00 55.52 C ATOM 1540 CD2 LEU A 98 11.953 -7.518 -4.813 1.00 14.05 C ATOM 0 H LEU A 98 9.246 -5.004 -3.196 1.00 52.20 H new ATOM 0 HA LEU A 98 10.563 -7.546 -2.747 1.00 32.23 H new ATOM 0 HB2 LEU A 98 11.455 -4.686 -2.905 1.00 12.22 H new ATOM 0 HB3 LEU A 98 12.539 -6.002 -2.496 1.00 12.22 H new ATOM 0 HG LEU A 98 11.017 -5.629 -5.084 1.00 61.35 H new ATOM 0 HD11 LEU A 98 13.261 -5.477 -6.082 1.00 55.52 H new ATOM 0 HD12 LEU A 98 12.976 -4.201 -4.875 1.00 55.52 H new ATOM 0 HD13 LEU A 98 13.985 -5.607 -4.462 1.00 55.52 H new ATOM 0 HD21 LEU A 98 12.126 -7.677 -5.878 1.00 14.05 H new ATOM 0 HD22 LEU A 98 12.775 -7.952 -4.244 1.00 14.05 H new ATOM 0 HD23 LEU A 98 11.018 -7.996 -4.522 1.00 14.05 H new ATOM 1552 N LYS A 99 9.601 -5.791 -0.274 1.00 42.13 N ATOM 1553 CA LYS A 99 9.526 -5.722 1.175 1.00 65.14 C ATOM 1554 C LYS A 99 8.448 -6.686 1.672 1.00 74.10 C ATOM 1555 O LYS A 99 8.401 -7.013 2.857 1.00 12.40 O ATOM 1556 CB LYS A 99 9.318 -4.277 1.632 1.00 53.10 C ATOM 1557 CG LYS A 99 9.241 -4.191 3.158 1.00 51.40 C ATOM 1558 CD LYS A 99 9.412 -2.747 3.635 1.00 53.31 C ATOM 1559 CE LYS A 99 9.153 -2.631 5.138 1.00 14.20 C ATOM 1560 NZ LYS A 99 9.759 -3.773 5.858 1.00 30.50 N1+ ATOM 0 H LYS A 99 8.911 -5.221 -0.764 1.00 42.13 H new ATOM 0 HA LYS A 99 10.468 -6.040 1.621 1.00 65.14 H new ATOM 0 HB2 LYS A 99 10.137 -3.656 1.270 1.00 53.10 H new ATOM 0 HB3 LYS A 99 8.401 -3.882 1.195 1.00 53.10 H new ATOM 0 HG2 LYS A 99 8.282 -4.579 3.500 1.00 51.40 H new ATOM 0 HG3 LYS A 99 10.015 -4.818 3.601 1.00 51.40 H new ATOM 0 HD2 LYS A 99 10.421 -2.403 3.409 1.00 53.31 H new ATOM 0 HD3 LYS A 99 8.725 -2.098 3.093 1.00 53.31 H new ATOM 0 HE2 LYS A 99 9.568 -1.695 5.513 1.00 14.20 H new ATOM 0 HE3 LYS A 99 8.080 -2.602 5.327 1.00 14.20 H new ATOM 0 HZ1 LYS A 99 9.863 -3.533 6.865 1.00 30.50 H new ATOM 0 HZ2 LYS A 99 9.147 -4.608 5.762 1.00 30.50 H new ATOM 0 HZ3 LYS A 99 10.694 -3.981 5.454 1.00 30.50 H new ATOM 1573 N LYS A 100 7.607 -7.116 0.742 1.00 45.50 N ATOM 1574 CA LYS A 100 6.533 -8.036 1.072 1.00 71.42 C ATOM 1575 C LYS A 100 6.883 -9.430 0.546 1.00 15.31 C ATOM 1576 O LYS A 100 6.274 -10.419 0.949 1.00 13.03 O ATOM 1577 CB LYS A 100 5.194 -7.503 0.557 1.00 23.01 C ATOM 1578 CG LYS A 100 4.024 -8.156 1.294 1.00 62.30 C ATOM 1579 CD LYS A 100 2.697 -7.848 0.598 1.00 21.42 C ATOM 1580 CE LYS A 100 1.521 -8.002 1.565 1.00 4.03 C ATOM 1581 NZ LYS A 100 1.759 -7.219 2.798 1.00 72.11 N1+ ATOM 0 H LYS A 100 7.648 -6.844 -0.240 1.00 45.50 H new ATOM 0 HA LYS A 100 6.422 -8.121 2.153 1.00 71.42 H new ATOM 0 HB2 LYS A 100 5.154 -6.422 0.689 1.00 23.01 H new ATOM 0 HB3 LYS A 100 5.108 -7.697 -0.512 1.00 23.01 H new ATOM 0 HG2 LYS A 100 4.174 -9.235 1.338 1.00 62.30 H new ATOM 0 HG3 LYS A 100 3.991 -7.797 2.323 1.00 62.30 H new ATOM 0 HD2 LYS A 100 2.717 -6.832 0.203 1.00 21.42 H new ATOM 0 HD3 LYS A 100 2.564 -8.518 -0.251 1.00 21.42 H new ATOM 0 HE2 LYS A 100 0.602 -7.666 1.085 1.00 4.03 H new ATOM 0 HE3 LYS A 100 1.384 -9.054 1.816 1.00 4.03 H new ATOM 0 HZ1 LYS A 100 0.855 -6.849 3.154 1.00 72.11 H new ATOM 0 HZ2 LYS A 100 2.191 -7.831 3.520 1.00 72.11 H new ATOM 0 HZ3 LYS A 100 2.399 -6.426 2.588 1.00 72.11 H new ATOM 1594 N ALA A 101 7.862 -9.463 -0.344 1.00 64.02 N ATOM 1595 CA ALA A 101 8.300 -10.719 -0.929 1.00 24.13 C ATOM 1596 C ALA A 101 9.329 -11.376 -0.004 1.00 72.45 C ATOM 1597 O ALA A 101 9.251 -12.574 0.263 1.00 21.11 O ATOM 1598 CB ALA A 101 8.858 -10.464 -2.331 1.00 75.14 C ATOM 0 H ALA A 101 8.365 -8.640 -0.675 1.00 64.02 H new ATOM 0 HA ALA A 101 7.461 -11.407 -1.032 1.00 24.13 H new ATOM 0 HB1 ALA A 101 9.186 -11.407 -2.769 1.00 75.14 H new ATOM 0 HB2 ALA A 101 8.082 -10.024 -2.957 1.00 75.14 H new ATOM 0 HB3 ALA A 101 9.704 -9.780 -2.267 1.00 75.14 H new ATOM 1604 N THR A 102 10.266 -10.562 0.457 1.00 15.34 N ATOM 1605 CA THR A 102 11.307 -11.049 1.346 1.00 4.43 C ATOM 1606 C THR A 102 10.896 -10.856 2.807 1.00 51.23 C ATOM 1607 O THR A 102 11.748 -10.733 3.685 1.00 33.25 O ATOM 1608 CB THR A 102 12.611 -10.335 0.983 1.00 53.10 C ATOM 1609 OG1 THR A 102 12.466 -9.036 1.552 1.00 60.21 O ATOM 1610 CG2 THR A 102 12.736 -10.072 -0.519 1.00 73.13 C ATOM 0 H THR A 102 10.327 -9.569 0.232 1.00 15.34 H new ATOM 0 HA THR A 102 11.461 -12.121 1.224 1.00 4.43 H new ATOM 0 HB THR A 102 13.458 -10.934 1.318 1.00 53.10 H new ATOM 0 HG1 THR A 102 12.074 -8.430 0.889 1.00 60.21 H new ATOM 0 HG21 THR A 102 13.679 -9.564 -0.722 1.00 73.13 H new ATOM 0 HG22 THR A 102 12.711 -11.019 -1.058 1.00 73.13 H new ATOM 0 HG23 THR A 102 11.907 -9.445 -0.849 1.00 73.13 H new ATOM 1618 N ASN A 103 9.589 -10.834 3.023 1.00 70.44 N ATOM 1619 CA ASN A 103 9.053 -10.658 4.361 1.00 11.44 C ATOM 1620 C ASN A 103 7.946 -11.687 4.603 1.00 44.21 C ATOM 1621 O ASN A 103 7.161 -11.550 5.539 1.00 20.15 O ATOM 1622 CB ASN A 103 8.447 -9.263 4.533 1.00 54.20 C ATOM 1623 CG ASN A 103 7.974 -9.043 5.971 1.00 33.53 C ATOM 1624 OD1 ASN A 103 8.428 -9.683 6.906 1.00 4.43 O ATOM 1625 ND2 ASN A 103 7.038 -8.107 6.096 1.00 23.31 N ATOM 0 H ASN A 103 8.885 -10.935 2.292 1.00 70.44 H new ATOM 0 HA ASN A 103 9.870 -10.787 5.070 1.00 11.44 H new ATOM 0 HB2 ASN A 103 9.187 -8.507 4.270 1.00 54.20 H new ATOM 0 HB3 ASN A 103 7.608 -9.140 3.848 1.00 54.20 H new ATOM 0 HD21 ASN A 103 6.656 -7.887 7.016 1.00 23.31 H new ATOM 0 HD22 ASN A 103 6.702 -7.609 5.272 1.00 23.31 H new ATOM 1632 N GLU A 104 7.920 -12.693 3.742 1.00 23.13 N ATOM 1633 CA GLU A 104 6.924 -13.745 3.851 1.00 54.13 C ATOM 1634 C GLU A 104 7.602 -15.116 3.896 1.00 73.12 C ATOM 1635 O GLU A 104 6.927 -16.144 3.929 1.00 31.02 O ATOM 1636 CB GLU A 104 5.918 -13.668 2.701 1.00 64.13 C ATOM 1637 CG GLU A 104 6.634 -13.537 1.354 1.00 74.30 C ATOM 1638 CD GLU A 104 5.728 -13.986 0.206 1.00 30.24 C ATOM 1639 OE1 GLU A 104 5.285 -15.144 0.182 1.00 70.41 O ATOM 1640 OE2 GLU A 104 5.487 -13.084 -0.684 1.00 71.21 O1- ATOM 0 H GLU A 104 8.573 -12.802 2.966 1.00 23.13 H new ATOM 0 HA GLU A 104 6.374 -13.603 4.781 1.00 54.13 H new ATOM 0 HB2 GLU A 104 5.293 -14.561 2.699 1.00 64.13 H new ATOM 0 HB3 GLU A 104 5.255 -12.815 2.849 1.00 64.13 H new ATOM 0 HG2 GLU A 104 6.938 -12.502 1.199 1.00 74.30 H new ATOM 0 HG3 GLU A 104 7.543 -14.138 1.361 1.00 74.30 H new