USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 755 hydrogens (62 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 29 SER OG : rot -75:sc= -0.795 USER MOD Set 1.2: A 30 HIS :FLIP no HE2:sc= -5.35! C(o=-7.2!,f=-6.1!) USER MOD Set 2.1: A 28 TYR OH : rot 51:sc= 0.461! USER MOD Set 2.2: A 32 LYS NZ :NH3+ 145:sc= 1.9 (180deg=-0.587) USER MOD Set 2.3: A 87 COA O2B : rot -134:sc= 1.1 USER MOD Single : A 1 SER N :NH3+ -131:sc= 0.688 (180deg=0.0658) USER MOD Single : A 1 SER OG : rot 180:sc= 0.221 USER MOD Single : A 2 GLN : amide:sc= -7.47! C(o=-7.5!,f=-12!) USER MOD Single : A 7 LYS NZ :NH3+ -140:sc= 0.847 (180deg=-0.237) USER MOD Single : A 13 LYS NZ :NH3+ -154:sc= -3.75! (180deg=-4.9!) USER MOD Single : A 14 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-6.9!) USER MOD Single : A 16 LYS NZ :NH3+ -159:sc= -0.0433 (180deg=-0.571) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 156:sc= -0.894 (180deg=-2.2) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN :FLIP amide:sc= -4.48 F(o=-5,f=-4.5) USER MOD Single : A 35 THR OG1 : rot -85:sc= 0.904 USER MOD Single : A 40 ASN : amide:sc= -0.115 K(o=-0.12,f=-0.64) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.755 USER MOD Single : A 46 MET CE :methyl -169:sc= 0 (180deg=-0.161) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 162:sc= -0.957! (180deg=-1.65!) USER MOD Single : A 54 LYS NZ :NH3+ -110:sc= -1.54! (180deg=-5.91!) USER MOD Single : A 59 ASN : amide:sc= -0.212 K(o=-0.21,f=-4.4!) USER MOD Single : A 62 LYS NZ :NH3+ 137:sc= 0.142 (180deg=-2.49!) USER MOD Single : A 64 THR OG1 : rot 85:sc= 1.03 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -150:sc= 0 (180deg=-0.0599) USER MOD Single : A 71 LYS NZ :NH3+ -126:sc= -2.16 (180deg=-3.65!) USER MOD Single : A 73 TYR OH : rot 32:sc= 0.231 USER MOD Single : A 76 LYS NZ :NH3+ 144:sc= -4.55! (180deg=-5.41!) USER MOD Single : A 81 LYS NZ :NH3+ -161:sc= 1.13 (180deg=0.0384) USER MOD Single : A 82 LYS NZ :NH3+ 161:sc= -0.345 (180deg=-1.29) USER MOD Single : A 83 LYS NZ :NH3+ -115:sc= 0.386 (180deg=-0.319) USER MOD Single : A 84 TYR OH : rot 165:sc= 0.58 USER MOD Single : A 87 COA OAP : rot 109:sc= 0.00933 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.910 2.788 -7.559 1.00 1.96 N ATOM 2 CA SER A 1 0.452 2.729 -6.942 1.00 2.26 C ATOM 3 C SER A 1 0.352 2.875 -5.412 1.00 1.34 C ATOM 4 O SER A 1 -0.694 3.221 -4.900 1.00 1.69 O ATOM 5 CB SER A 1 1.323 3.862 -7.562 1.00 2.78 C ATOM 6 OG SER A 1 0.375 4.876 -7.902 1.00 1.79 O ATOM 0 H1 SER A 1 -1.027 1.993 -8.219 1.00 1.96 H new ATOM 0 H2 SER A 1 -1.632 2.727 -6.813 1.00 1.96 H new ATOM 0 H3 SER A 1 -1.019 3.685 -8.074 1.00 1.96 H new ATOM 0 HA SER A 1 0.918 1.765 -7.147 1.00 2.26 H new ATOM 0 HB2 SER A 1 2.064 4.230 -6.853 1.00 2.78 H new ATOM 0 HB3 SER A 1 1.867 3.513 -8.440 1.00 2.78 H new ATOM 0 HG SER A 1 0.842 5.639 -8.303 1.00 1.79 H new ATOM 14 N GLN A 2 1.444 2.609 -4.757 1.00 1.14 N ATOM 15 CA GLN A 2 1.568 2.678 -3.268 1.00 1.69 C ATOM 16 C GLN A 2 2.794 3.520 -2.829 1.00 1.60 C ATOM 17 O GLN A 2 3.355 4.240 -3.623 1.00 2.85 O ATOM 18 CB GLN A 2 1.656 1.204 -2.790 1.00 2.75 C ATOM 19 CG GLN A 2 3.019 0.523 -3.185 1.00 1.89 C ATOM 20 CD GLN A 2 3.261 0.211 -4.670 1.00 1.87 C ATOM 21 OE1 GLN A 2 2.603 0.615 -5.605 1.00 3.07 O ATOM 22 NE2 GLN A 2 4.261 -0.547 -4.944 1.00 1.35 N ATOM 0 H GLN A 2 2.309 2.329 -5.220 1.00 1.14 H new ATOM 0 HA GLN A 2 0.714 3.184 -2.816 1.00 1.69 H new ATOM 0 HB2 GLN A 2 1.536 1.169 -1.707 1.00 2.75 H new ATOM 0 HB3 GLN A 2 0.831 0.636 -3.221 1.00 2.75 H new ATOM 0 HG2 GLN A 2 3.828 1.169 -2.843 1.00 1.89 H new ATOM 0 HG3 GLN A 2 3.100 -0.411 -2.629 1.00 1.89 H new ATOM 0 HE21 GLN A 2 4.845 -0.912 -4.192 1.00 1.35 H new ATOM 0 HE22 GLN A 2 4.471 -0.784 -5.914 1.00 1.35 H new ATOM 31 N ALA A 3 3.143 3.396 -1.579 1.00 1.54 N ATOM 32 CA ALA A 3 4.314 4.131 -0.993 1.00 1.20 C ATOM 33 C ALA A 3 5.514 3.153 -0.971 1.00 0.81 C ATOM 34 O ALA A 3 6.647 3.500 -1.226 1.00 0.65 O ATOM 35 CB ALA A 3 3.932 4.587 0.427 1.00 1.68 C ATOM 0 H ALA A 3 2.653 2.798 -0.914 1.00 1.54 H new ATOM 0 HA ALA A 3 4.584 5.012 -1.576 1.00 1.20 H new ATOM 0 HB1 ALA A 3 4.768 5.124 0.874 1.00 1.68 H new ATOM 0 HB2 ALA A 3 3.064 5.244 0.377 1.00 1.68 H new ATOM 0 HB3 ALA A 3 3.693 3.716 1.037 1.00 1.68 H new ATOM 41 N GLU A 4 5.177 1.936 -0.624 1.00 0.90 N ATOM 42 CA GLU A 4 6.090 0.784 -0.510 1.00 0.74 C ATOM 43 C GLU A 4 7.394 0.879 -1.261 1.00 0.73 C ATOM 44 O GLU A 4 8.484 0.736 -0.753 1.00 0.75 O ATOM 45 CB GLU A 4 5.266 -0.446 -0.929 1.00 0.77 C ATOM 46 CG GLU A 4 3.890 -0.582 -0.165 1.00 0.79 C ATOM 47 CD GLU A 4 3.318 -2.004 -0.339 1.00 1.01 C ATOM 48 OE1 GLU A 4 3.977 -2.875 0.202 1.00 2.35 O ATOM 49 OE2 GLU A 4 2.289 -2.144 -0.985 1.00 0.96 O ATOM 0 H GLU A 4 4.213 1.691 -0.398 1.00 0.90 H new ATOM 0 HA GLU A 4 6.442 0.729 0.520 1.00 0.74 H new ATOM 0 HB2 GLU A 4 5.072 -0.394 -2.000 1.00 0.77 H new ATOM 0 HB3 GLU A 4 5.858 -1.345 -0.755 1.00 0.77 H new ATOM 0 HG2 GLU A 4 4.032 -0.367 0.894 1.00 0.79 H new ATOM 0 HG3 GLU A 4 3.180 0.152 -0.547 1.00 0.79 H new ATOM 56 N PHE A 5 7.168 1.139 -2.490 1.00 0.75 N ATOM 57 CA PHE A 5 8.177 1.302 -3.547 1.00 0.82 C ATOM 58 C PHE A 5 9.127 2.506 -3.338 1.00 0.84 C ATOM 59 O PHE A 5 10.328 2.441 -3.456 1.00 0.89 O ATOM 60 CB PHE A 5 7.326 1.413 -4.712 1.00 0.93 C ATOM 61 CG PHE A 5 8.267 1.628 -5.902 1.00 0.66 C ATOM 62 CD1 PHE A 5 8.975 0.581 -6.467 1.00 0.41 C ATOM 63 CD2 PHE A 5 8.443 2.900 -6.387 1.00 0.89 C ATOM 64 CE1 PHE A 5 9.847 0.810 -7.509 1.00 0.41 C ATOM 65 CE2 PHE A 5 9.314 3.133 -7.428 1.00 0.72 C ATOM 66 CZ PHE A 5 10.018 2.089 -7.992 1.00 0.42 C ATOM 0 H PHE A 5 6.219 1.258 -2.843 1.00 0.75 H new ATOM 0 HA PHE A 5 8.900 0.488 -3.600 1.00 0.82 H new ATOM 0 HB2 PHE A 5 6.727 0.512 -4.845 1.00 0.93 H new ATOM 0 HB3 PHE A 5 6.630 2.246 -4.609 1.00 0.93 H new ATOM 0 HD1 PHE A 5 8.843 -0.422 -6.089 1.00 0.41 H new ATOM 0 HD2 PHE A 5 7.896 3.722 -5.950 1.00 0.89 H new ATOM 0 HE1 PHE A 5 10.395 -0.011 -7.946 1.00 0.41 H new ATOM 0 HE2 PHE A 5 9.446 4.137 -7.804 1.00 0.72 H new ATOM 0 HZ PHE A 5 10.700 2.274 -8.809 1.00 0.42 H new ATOM 76 N ASP A 6 8.493 3.587 -3.039 1.00 1.01 N ATOM 77 CA ASP A 6 9.114 4.896 -2.779 1.00 1.12 C ATOM 78 C ASP A 6 9.970 4.699 -1.529 1.00 1.01 C ATOM 79 O ASP A 6 11.158 4.956 -1.419 1.00 1.14 O ATOM 80 CB ASP A 6 7.936 5.849 -2.568 1.00 1.35 C ATOM 81 CG ASP A 6 6.875 5.827 -3.678 1.00 1.50 C ATOM 82 OD1 ASP A 6 6.424 4.750 -4.033 1.00 1.27 O ATOM 83 OD2 ASP A 6 6.564 6.919 -4.107 1.00 2.19 O ATOM 0 H ASP A 6 7.477 3.612 -2.958 1.00 1.01 H new ATOM 0 HA ASP A 6 9.752 5.296 -3.567 1.00 1.12 H new ATOM 0 HB2 ASP A 6 7.455 5.603 -1.621 1.00 1.35 H new ATOM 0 HB3 ASP A 6 8.322 6.864 -2.475 1.00 1.35 H new ATOM 88 N LYS A 7 9.265 4.170 -0.576 1.00 0.84 N ATOM 89 CA LYS A 7 9.915 3.901 0.730 1.00 0.89 C ATOM 90 C LYS A 7 11.007 2.875 0.432 1.00 0.70 C ATOM 91 O LYS A 7 12.047 2.912 1.035 1.00 0.90 O ATOM 92 CB LYS A 7 8.928 3.304 1.749 1.00 0.98 C ATOM 93 CG LYS A 7 9.717 3.301 3.102 1.00 1.04 C ATOM 94 CD LYS A 7 9.052 2.440 4.214 1.00 1.86 C ATOM 95 CE LYS A 7 9.974 2.506 5.454 1.00 1.58 C ATOM 96 NZ LYS A 7 9.774 1.273 6.281 1.00 3.30 N ATOM 0 H LYS A 7 8.280 3.915 -0.642 1.00 0.84 H new ATOM 0 HA LYS A 7 10.298 4.824 1.165 1.00 0.89 H new ATOM 0 HB2 LYS A 7 8.020 3.903 1.820 1.00 0.98 H new ATOM 0 HB3 LYS A 7 8.624 2.297 1.464 1.00 0.98 H new ATOM 0 HG2 LYS A 7 10.726 2.930 2.923 1.00 1.04 H new ATOM 0 HG3 LYS A 7 9.813 4.327 3.458 1.00 1.04 H new ATOM 0 HD2 LYS A 7 8.058 2.820 4.452 1.00 1.86 H new ATOM 0 HD3 LYS A 7 8.928 1.410 3.881 1.00 1.86 H new ATOM 0 HE2 LYS A 7 11.016 2.586 5.144 1.00 1.58 H new ATOM 0 HE3 LYS A 7 9.748 3.395 6.043 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 9.780 1.527 7.290 1.00 3.30 H new ATOM 0 HZ2 LYS A 7 8.861 0.837 6.039 1.00 3.30 H new ATOM 0 HZ3 LYS A 7 10.541 0.598 6.089 1.00 3.30 H new ATOM 110 N ALA A 8 10.764 1.984 -0.490 1.00 0.53 N ATOM 111 CA ALA A 8 11.804 0.955 -0.828 1.00 0.61 C ATOM 112 C ALA A 8 13.012 1.770 -1.376 1.00 0.53 C ATOM 113 O ALA A 8 14.123 1.611 -0.913 1.00 0.50 O ATOM 114 CB ALA A 8 11.158 -0.020 -1.859 1.00 0.70 C ATOM 0 H ALA A 8 9.898 1.919 -1.024 1.00 0.53 H new ATOM 0 HA ALA A 8 12.153 0.341 0.002 1.00 0.61 H new ATOM 0 HB1 ALA A 8 11.880 -0.788 -2.135 1.00 0.70 H new ATOM 0 HB2 ALA A 8 10.280 -0.490 -1.415 1.00 0.70 H new ATOM 0 HB3 ALA A 8 10.861 0.536 -2.749 1.00 0.70 H new ATOM 120 N ALA A 9 12.796 2.614 -2.358 1.00 0.54 N ATOM 121 CA ALA A 9 13.914 3.452 -2.918 1.00 0.49 C ATOM 122 C ALA A 9 14.688 4.064 -1.746 1.00 0.42 C ATOM 123 O ALA A 9 15.906 4.056 -1.718 1.00 0.41 O ATOM 124 CB ALA A 9 13.298 4.539 -3.791 1.00 0.50 C ATOM 0 H ALA A 9 11.889 2.762 -2.800 1.00 0.54 H new ATOM 0 HA ALA A 9 14.600 2.858 -3.521 1.00 0.49 H new ATOM 0 HB1 ALA A 9 14.089 5.161 -4.210 1.00 0.50 H new ATOM 0 HB2 ALA A 9 12.732 4.078 -4.601 1.00 0.50 H new ATOM 0 HB3 ALA A 9 12.632 5.156 -3.188 1.00 0.50 H new ATOM 130 N GLU A 10 13.949 4.577 -0.802 1.00 0.51 N ATOM 131 CA GLU A 10 14.616 5.179 0.374 1.00 0.70 C ATOM 132 C GLU A 10 15.444 4.080 1.032 1.00 0.79 C ATOM 133 O GLU A 10 16.651 4.178 1.147 1.00 0.87 O ATOM 134 CB GLU A 10 13.544 5.709 1.367 1.00 0.78 C ATOM 135 CG GLU A 10 12.910 6.981 0.777 1.00 0.80 C ATOM 136 CD GLU A 10 13.977 8.075 0.772 1.00 2.77 C ATOM 137 OE1 GLU A 10 14.246 8.566 1.855 1.00 3.51 O ATOM 138 OE2 GLU A 10 14.463 8.341 -0.314 1.00 4.59 O ATOM 0 H GLU A 10 12.929 4.604 -0.797 1.00 0.51 H new ATOM 0 HA GLU A 10 15.251 6.015 0.081 1.00 0.70 H new ATOM 0 HB2 GLU A 10 12.780 4.951 1.538 1.00 0.78 H new ATOM 0 HB3 GLU A 10 13.999 5.927 2.333 1.00 0.78 H new ATOM 0 HG2 GLU A 10 12.549 6.794 -0.235 1.00 0.80 H new ATOM 0 HG3 GLU A 10 12.049 7.289 1.370 1.00 0.80 H new ATOM 145 N GLU A 11 14.767 3.047 1.437 1.00 0.81 N ATOM 146 CA GLU A 11 15.378 1.879 2.114 1.00 0.95 C ATOM 147 C GLU A 11 16.675 1.392 1.468 1.00 0.85 C ATOM 148 O GLU A 11 17.677 1.180 2.125 1.00 1.13 O ATOM 149 CB GLU A 11 14.340 0.788 2.129 1.00 1.15 C ATOM 150 CG GLU A 11 13.139 1.277 2.997 1.00 1.41 C ATOM 151 CD GLU A 11 13.125 0.744 4.438 1.00 1.46 C ATOM 152 OE1 GLU A 11 14.217 0.612 4.955 1.00 0.99 O ATOM 153 OE2 GLU A 11 12.043 0.500 4.964 1.00 2.32 O ATOM 0 H GLU A 11 13.757 2.964 1.317 1.00 0.81 H new ATOM 0 HA GLU A 11 15.671 2.174 3.121 1.00 0.95 H new ATOM 0 HB2 GLU A 11 14.010 0.562 1.115 1.00 1.15 H new ATOM 0 HB3 GLU A 11 14.758 -0.131 2.540 1.00 1.15 H new ATOM 0 HG2 GLU A 11 13.151 2.366 3.028 1.00 1.41 H new ATOM 0 HG3 GLU A 11 12.211 0.982 2.507 1.00 1.41 H new ATOM 160 N VAL A 12 16.636 1.227 0.174 1.00 0.57 N ATOM 161 CA VAL A 12 17.847 0.754 -0.550 1.00 0.52 C ATOM 162 C VAL A 12 18.897 1.846 -0.445 1.00 0.48 C ATOM 163 O VAL A 12 20.043 1.566 -0.153 1.00 0.50 O ATOM 164 CB VAL A 12 17.473 0.457 -2.022 1.00 0.65 C ATOM 165 CG1 VAL A 12 17.619 1.650 -2.983 1.00 0.56 C ATOM 166 CG2 VAL A 12 18.403 -0.644 -2.539 1.00 0.96 C ATOM 0 H VAL A 12 15.819 1.399 -0.411 1.00 0.57 H new ATOM 0 HA VAL A 12 18.243 -0.166 -0.120 1.00 0.52 H new ATOM 0 HB VAL A 12 16.419 0.180 -2.010 1.00 0.65 H new ATOM 0 HG11 VAL A 12 17.334 1.343 -3.989 1.00 0.56 H new ATOM 0 HG12 VAL A 12 16.972 2.463 -2.655 1.00 0.56 H new ATOM 0 HG13 VAL A 12 18.655 1.990 -2.987 1.00 0.56 H new ATOM 0 HG21 VAL A 12 18.157 -0.870 -3.577 1.00 0.96 H new ATOM 0 HG22 VAL A 12 19.437 -0.306 -2.476 1.00 0.96 H new ATOM 0 HG23 VAL A 12 18.277 -1.541 -1.933 1.00 0.96 H new ATOM 176 N LYS A 13 18.550 3.089 -0.663 1.00 0.54 N ATOM 177 CA LYS A 13 19.601 4.114 -0.543 1.00 0.80 C ATOM 178 C LYS A 13 19.963 4.238 0.976 1.00 0.98 C ATOM 179 O LYS A 13 20.952 4.833 1.345 1.00 1.41 O ATOM 180 CB LYS A 13 19.003 5.367 -1.180 1.00 0.70 C ATOM 181 CG LYS A 13 19.042 5.125 -2.709 1.00 1.20 C ATOM 182 CD LYS A 13 18.741 6.431 -3.497 1.00 1.32 C ATOM 183 CE LYS A 13 18.627 6.100 -4.986 1.00 2.05 C ATOM 184 NZ LYS A 13 19.976 5.881 -5.589 1.00 3.80 N ATOM 0 H LYS A 13 17.617 3.420 -0.909 1.00 0.54 H new ATOM 0 HA LYS A 13 20.541 3.895 -1.050 1.00 0.80 H new ATOM 0 HB2 LYS A 13 17.982 5.531 -0.836 1.00 0.70 H new ATOM 0 HB3 LYS A 13 19.576 6.254 -0.910 1.00 0.70 H new ATOM 0 HG2 LYS A 13 20.023 4.744 -2.994 1.00 1.20 H new ATOM 0 HG3 LYS A 13 18.313 4.360 -2.977 1.00 1.20 H new ATOM 0 HD2 LYS A 13 17.815 6.881 -3.140 1.00 1.32 H new ATOM 0 HD3 LYS A 13 19.534 7.161 -3.333 1.00 1.32 H new ATOM 0 HE2 LYS A 13 18.016 5.207 -5.118 1.00 2.05 H new ATOM 0 HE3 LYS A 13 18.120 6.913 -5.505 1.00 2.05 H new ATOM 0 HZ1 LYS A 13 19.940 6.094 -6.606 1.00 3.80 H new ATOM 0 HZ2 LYS A 13 20.668 6.506 -5.129 1.00 3.80 H new ATOM 0 HZ3 LYS A 13 20.261 4.890 -5.452 1.00 3.80 H new ATOM 198 N HIS A 14 19.146 3.684 1.838 1.00 0.92 N ATOM 199 CA HIS A 14 19.464 3.746 3.314 1.00 1.33 C ATOM 200 C HIS A 14 20.464 2.599 3.599 1.00 1.17 C ATOM 201 O HIS A 14 21.117 2.575 4.627 1.00 1.16 O ATOM 202 CB HIS A 14 18.214 3.519 4.228 1.00 1.57 C ATOM 203 CG HIS A 14 17.454 4.827 4.405 1.00 1.97 C ATOM 204 ND1 HIS A 14 16.586 5.277 3.577 1.00 1.66 N ATOM 205 CD2 HIS A 14 17.506 5.785 5.403 1.00 2.71 C ATOM 206 CE1 HIS A 14 16.121 6.416 3.992 1.00 2.15 C ATOM 207 NE2 HIS A 14 16.671 6.768 5.130 1.00 2.81 N ATOM 0 H HIS A 14 18.283 3.197 1.597 1.00 0.92 H new ATOM 0 HA HIS A 14 19.853 4.739 3.538 1.00 1.33 H new ATOM 0 HB2 HIS A 14 17.561 2.767 3.785 1.00 1.57 H new ATOM 0 HB3 HIS A 14 18.528 3.137 5.199 1.00 1.57 H new ATOM 0 HD2 HIS A 14 18.138 5.734 6.277 1.00 2.71 H new ATOM 0 HE1 HIS A 14 15.378 6.998 3.468 1.00 2.15 H new ATOM 0 HE2 HIS A 14 16.493 7.610 5.678 1.00 2.81 H new ATOM 215 N LEU A 15 20.571 1.666 2.679 1.00 1.04 N ATOM 216 CA LEU A 15 21.515 0.524 2.866 1.00 0.90 C ATOM 217 C LEU A 15 22.915 1.027 3.197 1.00 1.23 C ATOM 218 O LEU A 15 23.528 1.790 2.471 1.00 1.70 O ATOM 219 CB LEU A 15 21.653 -0.333 1.594 1.00 0.60 C ATOM 220 CG LEU A 15 20.438 -1.203 1.326 1.00 0.08 C ATOM 221 CD1 LEU A 15 20.703 -1.866 -0.018 1.00 0.79 C ATOM 222 CD2 LEU A 15 20.316 -2.315 2.381 1.00 0.24 C ATOM 0 H LEU A 15 20.043 1.650 1.807 1.00 1.04 H new ATOM 0 HA LEU A 15 21.099 -0.072 3.678 1.00 0.90 H new ATOM 0 HB2 LEU A 15 21.819 0.322 0.739 1.00 0.60 H new ATOM 0 HB3 LEU A 15 22.534 -0.968 1.685 1.00 0.60 H new ATOM 0 HG LEU A 15 19.526 -0.606 1.347 1.00 0.08 H new ATOM 0 HD11 LEU A 15 19.864 -2.512 -0.277 1.00 0.79 H new ATOM 0 HD12 LEU A 15 20.821 -1.100 -0.784 1.00 0.79 H new ATOM 0 HD13 LEU A 15 21.614 -2.462 0.043 1.00 0.79 H new ATOM 0 HD21 LEU A 15 19.438 -2.925 2.167 1.00 0.24 H new ATOM 0 HD22 LEU A 15 21.208 -2.941 2.354 1.00 0.24 H new ATOM 0 HD23 LEU A 15 20.216 -1.869 3.370 1.00 0.24 H new ATOM 234 N LYS A 16 23.365 0.548 4.325 1.00 1.30 N ATOM 235 CA LYS A 16 24.718 0.896 4.851 1.00 1.56 C ATOM 236 C LYS A 16 25.781 0.532 3.784 1.00 1.15 C ATOM 237 O LYS A 16 26.838 1.118 3.680 1.00 1.20 O ATOM 238 CB LYS A 16 24.900 0.084 6.155 1.00 1.90 C ATOM 239 CG LYS A 16 26.072 0.605 7.003 1.00 2.74 C ATOM 240 CD LYS A 16 25.577 1.854 7.793 1.00 1.29 C ATOM 241 CE LYS A 16 26.675 2.396 8.703 1.00 3.14 C ATOM 242 NZ LYS A 16 27.025 1.329 9.703 1.00 3.55 N ATOM 0 H LYS A 16 22.836 -0.088 4.921 1.00 1.30 H new ATOM 0 HA LYS A 16 24.828 1.960 5.063 1.00 1.56 H new ATOM 0 HB2 LYS A 16 23.982 0.129 6.740 1.00 1.90 H new ATOM 0 HB3 LYS A 16 25.070 -0.964 5.908 1.00 1.90 H new ATOM 0 HG2 LYS A 16 26.419 -0.167 7.690 1.00 2.74 H new ATOM 0 HG3 LYS A 16 26.917 0.867 6.366 1.00 2.74 H new ATOM 0 HD2 LYS A 16 25.263 2.630 7.094 1.00 1.29 H new ATOM 0 HD3 LYS A 16 24.704 1.589 8.389 1.00 1.29 H new ATOM 0 HE2 LYS A 16 27.552 2.671 8.118 1.00 3.14 H new ATOM 0 HE3 LYS A 16 26.336 3.298 9.212 1.00 3.14 H new ATOM 0 HZ1 LYS A 16 27.485 1.764 10.528 1.00 3.55 H new ATOM 0 HZ2 LYS A 16 26.159 0.841 10.007 1.00 3.55 H new ATOM 0 HZ3 LYS A 16 27.674 0.643 9.266 1.00 3.55 H new ATOM 256 N THR A 17 25.436 -0.469 3.026 1.00 1.02 N ATOM 257 CA THR A 17 26.353 -0.944 1.953 1.00 1.05 C ATOM 258 C THR A 17 25.728 -1.024 0.560 1.00 1.53 C ATOM 259 O THR A 17 24.536 -1.154 0.403 1.00 2.73 O ATOM 260 CB THR A 17 26.871 -2.298 2.472 1.00 0.64 C ATOM 261 OG1 THR A 17 27.758 -1.955 3.528 1.00 0.60 O ATOM 262 CG2 THR A 17 27.782 -3.023 1.508 1.00 1.15 C ATOM 0 H THR A 17 24.557 -0.980 3.103 1.00 1.02 H new ATOM 0 HA THR A 17 27.157 -0.228 1.782 1.00 1.05 H new ATOM 0 HB THR A 17 26.005 -2.921 2.697 1.00 0.64 H new ATOM 0 HG1 THR A 17 28.134 -2.772 3.918 1.00 0.60 H new ATOM 0 HG21 THR A 17 28.102 -3.967 1.950 1.00 1.15 H new ATOM 0 HG22 THR A 17 27.246 -3.220 0.580 1.00 1.15 H new ATOM 0 HG23 THR A 17 28.656 -2.406 1.299 1.00 1.15 H new ATOM 270 N LYS A 18 26.572 -0.942 -0.422 1.00 0.67 N ATOM 271 CA LYS A 18 26.220 -1.001 -1.857 1.00 0.89 C ATOM 272 C LYS A 18 26.330 -2.498 -2.207 1.00 0.75 C ATOM 273 O LYS A 18 27.419 -3.033 -2.271 1.00 0.98 O ATOM 274 CB LYS A 18 27.251 -0.111 -2.627 1.00 1.13 C ATOM 275 CG LYS A 18 28.734 -0.507 -2.262 1.00 1.04 C ATOM 276 CD LYS A 18 29.750 0.332 -3.053 1.00 1.73 C ATOM 277 CE LYS A 18 29.694 1.763 -2.577 1.00 4.03 C ATOM 278 NZ LYS A 18 30.784 2.514 -3.266 1.00 3.56 N ATOM 0 H LYS A 18 27.574 -0.827 -0.267 1.00 0.67 H new ATOM 0 HA LYS A 18 25.228 -0.630 -2.114 1.00 0.89 H new ATOM 0 HB2 LYS A 18 27.097 -0.219 -3.701 1.00 1.13 H new ATOM 0 HB3 LYS A 18 27.082 0.938 -2.384 1.00 1.13 H new ATOM 0 HG2 LYS A 18 28.897 -0.366 -1.194 1.00 1.04 H new ATOM 0 HG3 LYS A 18 28.892 -1.565 -2.472 1.00 1.04 H new ATOM 0 HD2 LYS A 18 30.754 -0.069 -2.917 1.00 1.73 H new ATOM 0 HD3 LYS A 18 29.528 0.282 -4.119 1.00 1.73 H new ATOM 0 HE2 LYS A 18 28.723 2.204 -2.804 1.00 4.03 H new ATOM 0 HE3 LYS A 18 29.821 1.811 -1.495 1.00 4.03 H new ATOM 0 HZ1 LYS A 18 30.770 3.507 -2.957 1.00 3.56 H new ATOM 0 HZ2 LYS A 18 31.703 2.089 -3.027 1.00 3.56 H new ATOM 0 HZ3 LYS A 18 30.639 2.470 -4.295 1.00 3.56 H new ATOM 292 N PRO A 19 25.218 -3.166 -2.400 1.00 0.52 N ATOM 293 CA PRO A 19 25.244 -4.615 -2.744 1.00 0.31 C ATOM 294 C PRO A 19 26.061 -4.906 -4.018 1.00 0.46 C ATOM 295 O PRO A 19 26.537 -4.012 -4.700 1.00 0.77 O ATOM 296 CB PRO A 19 23.748 -4.964 -2.833 1.00 0.19 C ATOM 297 CG PRO A 19 23.138 -3.938 -1.820 1.00 0.53 C ATOM 298 CD PRO A 19 23.816 -2.663 -2.281 1.00 0.68 C ATOM 0 HA PRO A 19 25.758 -5.239 -2.013 1.00 0.31 H new ATOM 0 HB2 PRO A 19 23.354 -4.832 -3.841 1.00 0.19 H new ATOM 0 HB3 PRO A 19 23.548 -5.996 -2.545 1.00 0.19 H new ATOM 0 HG2 PRO A 19 22.052 -3.880 -1.891 1.00 0.53 H new ATOM 0 HG3 PRO A 19 23.377 -4.184 -0.785 1.00 0.53 H new ATOM 0 HD2 PRO A 19 23.420 -2.295 -3.228 1.00 0.68 H new ATOM 0 HD3 PRO A 19 23.721 -1.852 -1.559 1.00 0.68 H new ATOM 306 N ALA A 20 26.198 -6.166 -4.333 1.00 0.50 N ATOM 307 CA ALA A 20 26.987 -6.502 -5.557 1.00 1.01 C ATOM 308 C ALA A 20 26.209 -6.109 -6.836 1.00 0.77 C ATOM 309 O ALA A 20 24.991 -6.126 -6.894 1.00 0.51 O ATOM 310 CB ALA A 20 27.283 -8.011 -5.526 1.00 1.48 C ATOM 0 H ALA A 20 25.812 -6.956 -3.816 1.00 0.50 H new ATOM 0 HA ALA A 20 27.922 -5.942 -5.571 1.00 1.01 H new ATOM 0 HB1 ALA A 20 27.859 -8.287 -6.409 1.00 1.48 H new ATOM 0 HB2 ALA A 20 27.855 -8.251 -4.630 1.00 1.48 H new ATOM 0 HB3 ALA A 20 26.345 -8.566 -5.517 1.00 1.48 H new ATOM 316 N ASP A 21 26.964 -5.767 -7.839 1.00 0.89 N ATOM 317 CA ASP A 21 26.405 -5.350 -9.160 1.00 0.76 C ATOM 318 C ASP A 21 25.191 -6.184 -9.549 1.00 0.77 C ATOM 319 O ASP A 21 24.146 -5.605 -9.707 1.00 0.69 O ATOM 320 CB ASP A 21 27.549 -5.482 -10.190 1.00 0.83 C ATOM 321 CG ASP A 21 28.831 -4.909 -9.607 1.00 0.66 C ATOM 322 OD1 ASP A 21 29.458 -5.668 -8.892 1.00 2.07 O ATOM 323 OD2 ASP A 21 29.102 -3.762 -9.898 1.00 2.37 O ATOM 0 H ASP A 21 27.983 -5.758 -7.799 1.00 0.89 H new ATOM 0 HA ASP A 21 26.047 -4.321 -9.117 1.00 0.76 H new ATOM 0 HB2 ASP A 21 27.694 -6.529 -10.454 1.00 0.83 H new ATOM 0 HB3 ASP A 21 27.288 -4.955 -11.108 1.00 0.83 H new ATOM 328 N GLU A 22 25.307 -7.475 -9.703 1.00 0.90 N ATOM 329 CA GLU A 22 24.111 -8.294 -10.075 1.00 0.97 C ATOM 330 C GLU A 22 22.906 -8.046 -9.149 1.00 0.74 C ATOM 331 O GLU A 22 21.778 -8.022 -9.609 1.00 0.82 O ATOM 332 CB GLU A 22 24.501 -9.802 -10.056 1.00 1.35 C ATOM 333 CG GLU A 22 25.247 -10.192 -11.387 1.00 1.89 C ATOM 334 CD GLU A 22 25.574 -11.699 -11.422 1.00 2.46 C ATOM 335 OE1 GLU A 22 24.622 -12.453 -11.328 1.00 2.74 O ATOM 336 OE2 GLU A 22 26.743 -12.023 -11.548 1.00 2.62 O ATOM 0 H GLU A 22 26.174 -8.000 -9.588 1.00 0.90 H new ATOM 0 HA GLU A 22 23.801 -7.993 -11.076 1.00 0.97 H new ATOM 0 HB2 GLU A 22 25.142 -10.008 -9.199 1.00 1.35 H new ATOM 0 HB3 GLU A 22 23.607 -10.414 -9.940 1.00 1.35 H new ATOM 0 HG2 GLU A 22 24.626 -9.932 -12.244 1.00 1.89 H new ATOM 0 HG3 GLU A 22 26.168 -9.615 -11.473 1.00 1.89 H new ATOM 343 N GLU A 23 23.110 -7.853 -7.870 1.00 0.60 N ATOM 344 CA GLU A 23 21.922 -7.614 -6.980 1.00 0.68 C ATOM 345 C GLU A 23 21.411 -6.204 -7.242 1.00 0.57 C ATOM 346 O GLU A 23 20.200 -6.022 -7.206 1.00 0.84 O ATOM 347 CB GLU A 23 22.317 -7.750 -5.471 1.00 0.68 C ATOM 348 CG GLU A 23 23.178 -9.009 -5.172 1.00 1.20 C ATOM 349 CD GLU A 23 23.403 -9.150 -3.651 1.00 1.46 C ATOM 350 OE1 GLU A 23 22.539 -9.750 -3.035 1.00 1.03 O ATOM 351 OE2 GLU A 23 24.412 -8.640 -3.185 1.00 3.62 O ATOM 0 H GLU A 23 24.020 -7.849 -7.409 1.00 0.60 H new ATOM 0 HA GLU A 23 21.152 -8.355 -7.197 1.00 0.68 H new ATOM 0 HB2 GLU A 23 22.868 -6.861 -5.165 1.00 0.68 H new ATOM 0 HB3 GLU A 23 21.410 -7.787 -4.867 1.00 0.68 H new ATOM 0 HG2 GLU A 23 22.681 -9.899 -5.558 1.00 1.20 H new ATOM 0 HG3 GLU A 23 24.137 -8.933 -5.684 1.00 1.20 H new ATOM 358 N MET A 24 22.342 -5.305 -7.477 1.00 0.36 N ATOM 359 CA MET A 24 22.050 -3.862 -7.775 1.00 0.40 C ATOM 360 C MET A 24 21.186 -3.912 -9.056 1.00 0.46 C ATOM 361 O MET A 24 20.072 -3.432 -9.072 1.00 0.82 O ATOM 362 CB MET A 24 23.449 -3.199 -7.944 1.00 0.27 C ATOM 363 CG MET A 24 24.126 -3.092 -6.558 1.00 0.27 C ATOM 364 SD MET A 24 23.629 -1.683 -5.540 1.00 0.34 S ATOM 365 CE MET A 24 24.880 -0.553 -6.197 1.00 0.72 C ATOM 0 H MET A 24 23.338 -5.525 -7.474 1.00 0.36 H new ATOM 0 HA MET A 24 21.508 -3.286 -7.025 1.00 0.40 H new ATOM 0 HB2 MET A 24 24.067 -3.790 -8.620 1.00 0.27 H new ATOM 0 HB3 MET A 24 23.345 -2.210 -8.390 1.00 0.27 H new ATOM 0 HG2 MET A 24 23.919 -4.007 -6.003 1.00 0.27 H new ATOM 0 HG3 MET A 24 25.205 -3.046 -6.705 1.00 0.27 H new ATOM 0 HE1 MET A 24 24.546 0.476 -6.065 1.00 0.72 H new ATOM 0 HE2 MET A 24 25.819 -0.701 -5.664 1.00 0.72 H new ATOM 0 HE3 MET A 24 25.029 -0.753 -7.258 1.00 0.72 H new ATOM 375 N LEU A 25 21.752 -4.491 -10.089 1.00 0.15 N ATOM 376 CA LEU A 25 21.140 -4.691 -11.424 1.00 0.25 C ATOM 377 C LEU A 25 19.611 -4.885 -11.305 1.00 0.26 C ATOM 378 O LEU A 25 18.848 -4.239 -12.008 1.00 0.36 O ATOM 379 CB LEU A 25 21.846 -5.915 -12.015 1.00 0.30 C ATOM 380 CG LEU A 25 23.244 -5.733 -12.664 1.00 0.34 C ATOM 381 CD1 LEU A 25 23.425 -6.936 -13.598 1.00 0.68 C ATOM 382 CD2 LEU A 25 23.395 -4.475 -13.503 1.00 0.56 C ATOM 0 H LEU A 25 22.701 -4.862 -10.040 1.00 0.15 H new ATOM 0 HA LEU A 25 21.266 -3.825 -12.073 1.00 0.25 H new ATOM 0 HB2 LEU A 25 21.945 -6.654 -11.220 1.00 0.30 H new ATOM 0 HB3 LEU A 25 21.186 -6.344 -12.769 1.00 0.30 H new ATOM 0 HG LEU A 25 23.980 -5.654 -11.864 1.00 0.34 H new ATOM 0 HD11 LEU A 25 24.395 -6.871 -14.091 1.00 0.68 H new ATOM 0 HD12 LEU A 25 23.373 -7.858 -13.018 1.00 0.68 H new ATOM 0 HD13 LEU A 25 22.635 -6.935 -14.349 1.00 0.68 H new ATOM 0 HD21 LEU A 25 24.403 -4.432 -13.916 1.00 0.56 H new ATOM 0 HD22 LEU A 25 22.670 -4.491 -14.317 1.00 0.56 H new ATOM 0 HD23 LEU A 25 23.221 -3.598 -12.879 1.00 0.56 H new ATOM 394 N PHE A 26 19.221 -5.782 -10.416 1.00 0.27 N ATOM 395 CA PHE A 26 17.752 -6.034 -10.222 1.00 0.30 C ATOM 396 C PHE A 26 17.080 -4.767 -9.647 1.00 0.29 C ATOM 397 O PHE A 26 16.174 -4.228 -10.253 1.00 0.29 O ATOM 398 CB PHE A 26 17.604 -7.218 -9.270 1.00 0.32 C ATOM 399 CG PHE A 26 16.119 -7.537 -8.981 1.00 0.35 C ATOM 400 CD1 PHE A 26 15.239 -6.623 -8.415 1.00 0.36 C ATOM 401 CD2 PHE A 26 15.638 -8.789 -9.303 1.00 0.78 C ATOM 402 CE1 PHE A 26 13.934 -6.957 -8.182 1.00 0.30 C ATOM 403 CE2 PHE A 26 14.320 -9.123 -9.064 1.00 0.90 C ATOM 404 CZ PHE A 26 13.472 -8.198 -8.502 1.00 0.56 C ATOM 0 H PHE A 26 19.844 -6.338 -9.830 1.00 0.27 H new ATOM 0 HA PHE A 26 17.265 -6.266 -11.169 1.00 0.30 H new ATOM 0 HB2 PHE A 26 18.087 -8.095 -9.702 1.00 0.32 H new ATOM 0 HB3 PHE A 26 18.118 -6.999 -8.334 1.00 0.32 H new ATOM 0 HD1 PHE A 26 15.591 -5.635 -8.156 1.00 0.36 H new ATOM 0 HD2 PHE A 26 16.301 -9.517 -9.748 1.00 0.78 H new ATOM 0 HE1 PHE A 26 13.265 -6.232 -7.741 1.00 0.30 H new ATOM 0 HE2 PHE A 26 13.956 -10.108 -9.318 1.00 0.90 H new ATOM 0 HZ PHE A 26 12.440 -8.455 -8.314 1.00 0.56 H new ATOM 414 N ILE A 27 17.514 -4.321 -8.487 1.00 0.29 N ATOM 415 CA ILE A 27 16.895 -3.080 -7.892 1.00 0.28 C ATOM 416 C ILE A 27 16.769 -2.046 -8.993 1.00 0.44 C ATOM 417 O ILE A 27 15.721 -1.479 -9.193 1.00 0.75 O ATOM 418 CB ILE A 27 17.795 -2.572 -6.735 1.00 0.23 C ATOM 419 CG1 ILE A 27 17.333 -3.251 -5.431 1.00 0.14 C ATOM 420 CG2 ILE A 27 17.787 -1.033 -6.571 1.00 0.41 C ATOM 421 CD1 ILE A 27 15.887 -2.841 -5.007 1.00 0.18 C ATOM 0 H ILE A 27 18.255 -4.750 -7.933 1.00 0.29 H new ATOM 0 HA ILE A 27 15.905 -3.284 -7.483 1.00 0.28 H new ATOM 0 HB ILE A 27 18.825 -2.835 -6.975 1.00 0.23 H new ATOM 0 HG12 ILE A 27 17.376 -4.333 -5.557 1.00 0.14 H new ATOM 0 HG13 ILE A 27 18.027 -2.996 -4.630 1.00 0.14 H new ATOM 0 HG21 ILE A 27 18.438 -0.752 -5.743 1.00 0.41 H new ATOM 0 HG22 ILE A 27 18.145 -0.567 -7.489 1.00 0.41 H new ATOM 0 HG23 ILE A 27 16.772 -0.694 -6.365 1.00 0.41 H new ATOM 0 HD11 ILE A 27 15.620 -3.352 -4.082 1.00 0.18 H new ATOM 0 HD12 ILE A 27 15.846 -1.763 -4.851 1.00 0.18 H new ATOM 0 HD13 ILE A 27 15.184 -3.121 -5.792 1.00 0.18 H new ATOM 433 N TYR A 28 17.849 -1.828 -9.682 1.00 0.25 N ATOM 434 CA TYR A 28 17.864 -0.847 -10.802 1.00 0.38 C ATOM 435 C TYR A 28 16.797 -1.152 -11.883 1.00 0.39 C ATOM 436 O TYR A 28 15.896 -0.365 -12.087 1.00 0.46 O ATOM 437 CB TYR A 28 19.269 -0.866 -11.413 1.00 0.28 C ATOM 438 CG TYR A 28 19.198 0.062 -12.607 1.00 0.72 C ATOM 439 CD1 TYR A 28 19.374 1.410 -12.416 1.00 1.81 C ATOM 440 CD2 TYR A 28 18.932 -0.427 -13.871 1.00 3.09 C ATOM 441 CE1 TYR A 28 19.279 2.258 -13.485 1.00 1.65 C ATOM 442 CE2 TYR A 28 18.838 0.443 -14.933 1.00 3.47 C ATOM 443 CZ TYR A 28 19.012 1.770 -14.747 1.00 1.63 C ATOM 444 OH TYR A 28 18.924 2.592 -15.842 1.00 2.08 O ATOM 0 H TYR A 28 18.740 -2.296 -9.515 1.00 0.25 H new ATOM 0 HA TYR A 28 17.616 0.140 -10.411 1.00 0.38 H new ATOM 0 HB2 TYR A 28 20.015 -0.526 -10.695 1.00 0.28 H new ATOM 0 HB3 TYR A 28 19.553 -1.874 -11.715 1.00 0.28 H new ATOM 0 HD1 TYR A 28 19.586 1.798 -11.430 1.00 1.81 H new ATOM 0 HD2 TYR A 28 18.798 -1.488 -14.025 1.00 3.09 H new ATOM 0 HE1 TYR A 28 19.414 3.320 -13.339 1.00 1.65 H new ATOM 0 HE2 TYR A 28 18.624 0.063 -15.921 1.00 3.47 H new ATOM 0 HH TYR A 28 19.713 3.172 -15.880 1.00 2.08 H new ATOM 454 N SER A 29 16.943 -2.275 -12.546 1.00 0.34 N ATOM 455 CA SER A 29 15.986 -2.710 -13.625 1.00 0.39 C ATOM 456 C SER A 29 14.560 -2.491 -13.149 1.00 0.39 C ATOM 457 O SER A 29 13.775 -1.814 -13.784 1.00 0.43 O ATOM 458 CB SER A 29 16.278 -4.213 -13.960 1.00 0.41 C ATOM 459 OG SER A 29 16.298 -4.953 -12.743 1.00 0.51 O ATOM 0 H SER A 29 17.707 -2.930 -12.382 1.00 0.34 H new ATOM 0 HA SER A 29 16.116 -2.124 -14.534 1.00 0.39 H new ATOM 0 HB2 SER A 29 15.514 -4.607 -14.630 1.00 0.41 H new ATOM 0 HB3 SER A 29 17.233 -4.307 -14.476 1.00 0.41 H new ATOM 0 HG SER A 29 17.131 -4.768 -12.261 1.00 0.51 H new ATOM 465 N HIS A 30 14.290 -3.093 -12.024 1.00 0.39 N ATOM 466 CA HIS A 30 12.942 -2.973 -11.400 1.00 0.43 C ATOM 467 C HIS A 30 12.622 -1.487 -11.153 1.00 0.57 C ATOM 468 O HIS A 30 11.572 -1.063 -11.571 1.00 0.74 O ATOM 469 CB HIS A 30 12.947 -3.793 -10.090 1.00 0.38 C ATOM 470 CG HIS A 30 12.727 -5.237 -10.492 1.00 0.20 C ATOM 471 ND1 HIS A 30 13.539 -6.092 -11.199 1.00 0.22 N flip ATOM 472 CD2 HIS A 30 11.664 -5.923 -10.230 1.00 0.27 C flip ATOM 473 CE1 HIS A 30 12.944 -7.259 -11.342 1.00 0.41 C flip ATOM 474 NE2 HIS A 30 11.790 -7.116 -10.731 1.00 0.47 N flip ATOM 0 H HIS A 30 14.953 -3.669 -11.505 1.00 0.39 H new ATOM 0 HA HIS A 30 12.164 -3.366 -12.055 1.00 0.43 H new ATOM 0 HB2 HIS A 30 13.893 -3.676 -9.562 1.00 0.38 H new ATOM 0 HB3 HIS A 30 12.161 -3.453 -9.415 1.00 0.38 H new ATOM 0 HD1 HIS A 30 14.464 -5.858 -11.559 1.00 0.22 H new ATOM 0 HD2 HIS A 30 10.806 -5.562 -9.682 1.00 0.27 H new ATOM 0 HE1 HIS A 30 13.320 -8.136 -11.848 1.00 0.41 H new ATOM 482 N TYR A 31 13.456 -0.731 -10.493 1.00 0.53 N ATOM 483 CA TYR A 31 13.189 0.716 -10.245 1.00 0.64 C ATOM 484 C TYR A 31 12.892 1.489 -11.543 1.00 0.67 C ATOM 485 O TYR A 31 11.908 2.203 -11.617 1.00 0.64 O ATOM 486 CB TYR A 31 14.409 1.288 -9.558 1.00 0.65 C ATOM 487 CG TYR A 31 14.089 2.716 -9.143 1.00 0.73 C ATOM 488 CD1 TYR A 31 13.237 2.984 -8.095 1.00 2.06 C ATOM 489 CD2 TYR A 31 14.646 3.741 -9.849 1.00 2.85 C ATOM 490 CE1 TYR A 31 12.939 4.289 -7.757 1.00 2.06 C ATOM 491 CE2 TYR A 31 14.352 5.050 -9.518 1.00 2.92 C ATOM 492 CZ TYR A 31 13.497 5.324 -8.470 1.00 0.96 C ATOM 493 OH TYR A 31 13.191 6.625 -8.140 1.00 1.11 O ATOM 0 H TYR A 31 14.337 -1.066 -10.104 1.00 0.53 H new ATOM 0 HA TYR A 31 12.300 0.816 -9.622 1.00 0.64 H new ATOM 0 HB2 TYR A 31 14.672 0.688 -8.687 1.00 0.65 H new ATOM 0 HB3 TYR A 31 15.268 1.270 -10.229 1.00 0.65 H new ATOM 0 HD1 TYR A 31 12.800 2.170 -7.535 1.00 2.06 H new ATOM 0 HD2 TYR A 31 15.318 3.530 -10.668 1.00 2.85 H new ATOM 0 HE1 TYR A 31 12.270 4.496 -6.935 1.00 2.06 H new ATOM 0 HE2 TYR A 31 14.792 5.860 -10.080 1.00 2.92 H new ATOM 0 HH TYR A 31 13.669 7.236 -8.740 1.00 1.11 H new ATOM 503 N LYS A 32 13.740 1.362 -12.538 1.00 0.73 N ATOM 504 CA LYS A 32 13.438 2.106 -13.802 1.00 0.78 C ATOM 505 C LYS A 32 12.076 1.540 -14.233 1.00 0.72 C ATOM 506 O LYS A 32 11.156 2.302 -14.413 1.00 0.75 O ATOM 507 CB LYS A 32 14.534 1.821 -14.833 1.00 0.88 C ATOM 508 CG LYS A 32 15.938 2.297 -14.370 1.00 1.08 C ATOM 509 CD LYS A 32 15.947 3.779 -13.854 1.00 0.96 C ATOM 510 CE LYS A 32 16.286 4.859 -14.896 1.00 3.08 C ATOM 511 NZ LYS A 32 17.713 4.670 -15.279 1.00 3.57 N ATOM 0 H LYS A 32 14.592 0.801 -12.534 1.00 0.73 H new ATOM 0 HA LYS A 32 13.406 3.190 -13.689 1.00 0.78 H new ATOM 0 HB2 LYS A 32 14.567 0.750 -15.034 1.00 0.88 H new ATOM 0 HB3 LYS A 32 14.280 2.314 -15.771 1.00 0.88 H new ATOM 0 HG2 LYS A 32 16.294 1.640 -13.576 1.00 1.08 H new ATOM 0 HG3 LYS A 32 16.639 2.203 -15.200 1.00 1.08 H new ATOM 0 HD2 LYS A 32 14.965 4.002 -13.436 1.00 0.96 H new ATOM 0 HD3 LYS A 32 16.665 3.853 -13.038 1.00 0.96 H new ATOM 0 HE2 LYS A 32 15.638 4.769 -15.768 1.00 3.08 H new ATOM 0 HE3 LYS A 32 16.127 5.855 -14.483 1.00 3.08 H new ATOM 0 HZ1 LYS A 32 17.835 4.899 -16.286 1.00 3.57 H new ATOM 0 HZ2 LYS A 32 18.312 5.298 -14.706 1.00 3.57 H new ATOM 0 HZ3 LYS A 32 17.989 3.681 -15.113 1.00 3.57 H new ATOM 525 N GLN A 33 11.955 0.249 -14.392 1.00 0.62 N ATOM 526 CA GLN A 33 10.625 -0.342 -14.794 1.00 0.60 C ATOM 527 C GLN A 33 9.438 0.313 -14.009 1.00 0.62 C ATOM 528 O GLN A 33 8.632 1.034 -14.556 1.00 0.68 O ATOM 529 CB GLN A 33 10.652 -1.859 -14.507 1.00 0.47 C ATOM 530 CG GLN A 33 10.442 -2.667 -15.776 1.00 0.59 C ATOM 531 CD GLN A 33 9.179 -2.247 -16.509 1.00 0.85 C ATOM 532 OE1 GLN A 33 9.136 -2.395 -17.791 1.00 0.97 O flip ATOM 533 NE2 GLN A 33 8.221 -1.791 -15.925 1.00 1.07 N flip ATOM 0 H GLN A 33 12.709 -0.426 -14.264 1.00 0.62 H new ATOM 0 HA GLN A 33 10.468 -0.149 -15.855 1.00 0.60 H new ATOM 0 HB2 GLN A 33 11.607 -2.129 -14.056 1.00 0.47 H new ATOM 0 HB3 GLN A 33 9.876 -2.108 -13.783 1.00 0.47 H new ATOM 0 HG2 GLN A 33 11.302 -2.542 -16.433 1.00 0.59 H new ATOM 0 HG3 GLN A 33 10.383 -3.726 -15.527 1.00 0.59 H new ATOM 0 HE21 GLN A 33 8.250 -1.672 -14.912 1.00 1.07 H new ATOM 0 HE22 GLN A 33 7.385 -1.526 -16.446 1.00 1.07 H new ATOM 542 N ALA A 34 9.397 0.047 -12.732 1.00 0.57 N ATOM 543 CA ALA A 34 8.367 0.544 -11.762 1.00 0.53 C ATOM 544 C ALA A 34 7.982 2.031 -11.843 1.00 0.60 C ATOM 545 O ALA A 34 6.910 2.427 -11.428 1.00 0.57 O ATOM 546 CB ALA A 34 8.895 0.213 -10.363 1.00 0.47 C ATOM 0 H ALA A 34 10.097 -0.546 -12.285 1.00 0.57 H new ATOM 0 HA ALA A 34 7.433 0.043 -12.018 1.00 0.53 H new ATOM 0 HB1 ALA A 34 8.180 0.555 -9.614 1.00 0.47 H new ATOM 0 HB2 ALA A 34 9.030 -0.865 -10.271 1.00 0.47 H new ATOM 0 HB3 ALA A 34 9.851 0.713 -10.207 1.00 0.47 H new ATOM 552 N THR A 35 8.867 2.818 -12.372 1.00 0.68 N ATOM 553 CA THR A 35 8.611 4.293 -12.495 1.00 0.75 C ATOM 554 C THR A 35 8.460 4.741 -13.939 1.00 0.79 C ATOM 555 O THR A 35 7.576 5.515 -14.240 1.00 0.74 O ATOM 556 CB THR A 35 9.769 5.054 -11.857 1.00 0.78 C ATOM 557 OG1 THR A 35 10.885 4.602 -12.599 1.00 0.75 O ATOM 558 CG2 THR A 35 10.080 4.556 -10.452 1.00 0.75 C ATOM 0 H THR A 35 9.770 2.509 -12.732 1.00 0.68 H new ATOM 0 HA THR A 35 7.671 4.506 -11.985 1.00 0.75 H new ATOM 0 HB THR A 35 9.551 6.122 -11.838 1.00 0.78 H new ATOM 0 HG1 THR A 35 11.221 3.768 -12.209 1.00 0.75 H new ATOM 0 HG21 THR A 35 10.911 5.128 -10.039 1.00 0.75 H new ATOM 0 HG22 THR A 35 9.202 4.683 -9.818 1.00 0.75 H new ATOM 0 HG23 THR A 35 10.350 3.501 -10.491 1.00 0.75 H new ATOM 566 N VAL A 36 9.306 4.253 -14.797 1.00 0.89 N ATOM 567 CA VAL A 36 9.257 4.626 -16.247 1.00 0.97 C ATOM 568 C VAL A 36 8.445 3.579 -17.042 1.00 0.96 C ATOM 569 O VAL A 36 7.506 3.906 -17.743 1.00 0.97 O ATOM 570 CB VAL A 36 10.728 4.693 -16.809 1.00 1.08 C ATOM 571 CG1 VAL A 36 10.707 5.153 -18.285 1.00 1.09 C ATOM 572 CG2 VAL A 36 11.622 5.671 -16.019 1.00 1.03 C ATOM 0 H VAL A 36 10.048 3.596 -14.555 1.00 0.89 H new ATOM 0 HA VAL A 36 8.773 5.597 -16.353 1.00 0.97 H new ATOM 0 HB VAL A 36 11.143 3.690 -16.712 1.00 1.08 H new ATOM 0 HG11 VAL A 36 11.727 5.197 -18.667 1.00 1.09 H new ATOM 0 HG12 VAL A 36 10.128 4.446 -18.878 1.00 1.09 H new ATOM 0 HG13 VAL A 36 10.252 6.141 -18.352 1.00 1.09 H new ATOM 0 HG21 VAL A 36 12.623 5.677 -16.449 1.00 1.03 H new ATOM 0 HG22 VAL A 36 11.199 6.674 -16.071 1.00 1.03 H new ATOM 0 HG23 VAL A 36 11.677 5.354 -14.978 1.00 1.03 H new ATOM 582 N GLY A 37 8.860 2.351 -16.877 1.00 0.89 N ATOM 583 CA GLY A 37 8.255 1.144 -17.546 1.00 0.83 C ATOM 584 C GLY A 37 9.326 0.628 -18.514 1.00 0.69 C ATOM 585 O GLY A 37 10.276 -0.015 -18.099 1.00 0.49 O ATOM 0 H GLY A 37 9.644 2.117 -16.267 1.00 0.89 H new ATOM 0 HA2 GLY A 37 7.989 0.382 -16.813 1.00 0.83 H new ATOM 0 HA3 GLY A 37 7.341 1.408 -18.078 1.00 0.83 H new ATOM 589 N ASP A 38 9.128 0.932 -19.770 1.00 0.87 N ATOM 590 CA ASP A 38 10.067 0.530 -20.859 1.00 0.87 C ATOM 591 C ASP A 38 11.346 1.393 -20.903 1.00 0.88 C ATOM 592 O ASP A 38 11.399 2.491 -20.381 1.00 1.25 O ATOM 593 CB ASP A 38 9.315 0.666 -22.202 1.00 1.38 C ATOM 594 CG ASP A 38 8.235 -0.375 -22.355 1.00 1.94 C ATOM 595 OD1 ASP A 38 7.356 -0.400 -21.520 1.00 2.78 O ATOM 596 OD2 ASP A 38 8.375 -1.091 -23.326 1.00 3.11 O ATOM 0 H ASP A 38 8.321 1.464 -20.097 1.00 0.87 H new ATOM 0 HA ASP A 38 10.388 -0.495 -20.671 1.00 0.87 H new ATOM 0 HB2 ASP A 38 8.872 1.660 -22.270 1.00 1.38 H new ATOM 0 HB3 ASP A 38 10.024 0.576 -23.025 1.00 1.38 H new ATOM 601 N ILE A 39 12.334 0.856 -21.569 1.00 1.13 N ATOM 602 CA ILE A 39 13.642 1.559 -21.706 1.00 1.24 C ATOM 603 C ILE A 39 13.689 2.322 -23.058 1.00 1.95 C ATOM 604 O ILE A 39 13.453 1.790 -24.127 1.00 2.43 O ATOM 605 CB ILE A 39 14.713 0.430 -21.548 1.00 1.01 C ATOM 606 CG1 ILE A 39 16.131 1.030 -21.412 1.00 0.97 C ATOM 607 CG2 ILE A 39 14.673 -0.517 -22.777 1.00 1.44 C ATOM 608 CD1 ILE A 39 17.081 -0.058 -20.832 1.00 0.67 C ATOM 0 H ILE A 39 12.289 -0.053 -22.030 1.00 1.13 H new ATOM 0 HA ILE A 39 13.821 2.333 -20.959 1.00 1.24 H new ATOM 0 HB ILE A 39 14.480 -0.132 -20.643 1.00 1.01 H new ATOM 0 HG12 ILE A 39 16.493 1.368 -22.383 1.00 0.97 H new ATOM 0 HG13 ILE A 39 16.111 1.902 -20.758 1.00 0.97 H new ATOM 0 HG21 ILE A 39 15.422 -1.300 -22.658 1.00 1.44 H new ATOM 0 HG22 ILE A 39 13.685 -0.970 -22.855 1.00 1.44 H new ATOM 0 HG23 ILE A 39 14.884 0.052 -23.682 1.00 1.44 H new ATOM 0 HD11 ILE A 39 18.086 0.353 -20.731 1.00 0.67 H new ATOM 0 HD12 ILE A 39 16.718 -0.374 -19.854 1.00 0.67 H new ATOM 0 HD13 ILE A 39 17.106 -0.916 -21.504 1.00 0.67 H new ATOM 620 N ASN A 40 13.991 3.593 -22.963 1.00 2.17 N ATOM 621 CA ASN A 40 14.081 4.493 -24.170 1.00 2.93 C ATOM 622 C ASN A 40 15.427 5.277 -24.278 1.00 3.06 C ATOM 623 O ASN A 40 15.541 6.292 -24.941 1.00 3.93 O ATOM 624 CB ASN A 40 12.853 5.425 -24.047 1.00 3.42 C ATOM 625 CG ASN A 40 12.676 5.848 -22.585 1.00 3.33 C ATOM 626 OD1 ASN A 40 13.565 6.361 -21.939 1.00 3.05 O ATOM 627 ND2 ASN A 40 11.541 5.648 -21.996 1.00 3.81 N ATOM 0 H ASN A 40 14.185 4.062 -22.078 1.00 2.17 H new ATOM 0 HA ASN A 40 14.072 3.914 -25.094 1.00 2.93 H new ATOM 0 HB2 ASN A 40 12.986 6.304 -24.677 1.00 3.42 H new ATOM 0 HB3 ASN A 40 11.958 4.913 -24.399 1.00 3.42 H new ATOM 0 HD21 ASN A 40 11.418 5.920 -21.021 1.00 3.81 H new ATOM 0 HD22 ASN A 40 10.770 5.219 -22.507 1.00 3.81 H new ATOM 634 N THR A 41 16.408 4.746 -23.605 1.00 2.18 N ATOM 635 CA THR A 41 17.786 5.355 -23.579 1.00 2.19 C ATOM 636 C THR A 41 18.742 4.465 -24.365 1.00 1.99 C ATOM 637 O THR A 41 18.656 3.260 -24.233 1.00 1.74 O ATOM 638 CB THR A 41 18.276 5.462 -22.105 1.00 2.01 C ATOM 639 OG1 THR A 41 18.410 4.119 -21.650 1.00 1.71 O ATOM 640 CG2 THR A 41 17.154 5.973 -21.184 1.00 2.15 C ATOM 0 H THR A 41 16.319 3.892 -23.054 1.00 2.18 H new ATOM 0 HA THR A 41 17.756 6.349 -24.026 1.00 2.19 H new ATOM 0 HB THR A 41 19.162 6.096 -22.078 1.00 2.01 H new ATOM 0 HG1 THR A 41 18.720 4.118 -20.720 1.00 1.71 H new ATOM 0 HG21 THR A 41 17.524 6.038 -20.161 1.00 2.15 H new ATOM 0 HG22 THR A 41 16.831 6.960 -21.516 1.00 2.15 H new ATOM 0 HG23 THR A 41 16.310 5.284 -21.221 1.00 2.15 H new ATOM 648 N GLU A 42 19.618 5.046 -25.149 1.00 2.70 N ATOM 649 CA GLU A 42 20.572 4.194 -25.932 1.00 2.58 C ATOM 650 C GLU A 42 21.601 3.417 -25.084 1.00 2.20 C ATOM 651 O GLU A 42 22.135 3.876 -24.090 1.00 2.29 O ATOM 652 CB GLU A 42 21.323 5.100 -26.952 1.00 3.25 C ATOM 653 CG GLU A 42 20.451 5.256 -28.244 1.00 6.26 C ATOM 654 CD GLU A 42 21.107 6.097 -29.370 1.00 7.11 C ATOM 655 OE1 GLU A 42 22.210 6.576 -29.157 1.00 6.96 O ATOM 656 OE2 GLU A 42 20.453 6.204 -30.396 1.00 8.17 O ATOM 0 H GLU A 42 19.715 6.053 -25.281 1.00 2.70 H new ATOM 0 HA GLU A 42 19.967 3.432 -26.423 1.00 2.58 H new ATOM 0 HB2 GLU A 42 21.520 6.078 -26.512 1.00 3.25 H new ATOM 0 HB3 GLU A 42 22.290 4.662 -27.202 1.00 3.25 H new ATOM 0 HG2 GLU A 42 20.224 4.264 -28.635 1.00 6.26 H new ATOM 0 HG3 GLU A 42 19.501 5.716 -27.972 1.00 6.26 H new ATOM 663 N ARG A 43 21.839 2.214 -25.524 1.00 2.14 N ATOM 664 CA ARG A 43 22.818 1.310 -24.827 1.00 1.68 C ATOM 665 C ARG A 43 24.161 2.041 -24.472 1.00 1.51 C ATOM 666 O ARG A 43 24.838 2.477 -25.382 1.00 1.48 O ATOM 667 CB ARG A 43 23.046 0.107 -25.766 1.00 1.44 C ATOM 668 CG ARG A 43 23.919 -0.944 -25.046 1.00 0.93 C ATOM 669 CD ARG A 43 24.074 -2.154 -25.955 1.00 1.00 C ATOM 670 NE ARG A 43 24.944 -3.122 -25.202 1.00 0.71 N ATOM 671 CZ ARG A 43 24.546 -4.299 -24.907 1.00 0.86 C ATOM 672 NH1 ARG A 43 24.755 -5.243 -25.720 1.00 1.01 N ATOM 673 NH2 ARG A 43 23.958 -4.461 -23.802 1.00 1.10 N ATOM 0 H ARG A 43 21.395 1.806 -26.347 1.00 2.14 H new ATOM 0 HA ARG A 43 22.418 0.984 -23.867 1.00 1.68 H new ATOM 0 HB2 ARG A 43 22.090 -0.332 -26.052 1.00 1.44 H new ATOM 0 HB3 ARG A 43 23.534 0.435 -26.684 1.00 1.44 H new ATOM 0 HG2 ARG A 43 24.896 -0.524 -24.806 1.00 0.93 H new ATOM 0 HG3 ARG A 43 23.458 -1.236 -24.103 1.00 0.93 H new ATOM 0 HD2 ARG A 43 23.105 -2.597 -26.186 1.00 1.00 H new ATOM 0 HD3 ARG A 43 24.531 -1.874 -26.904 1.00 1.00 H new ATOM 0 HE ARG A 43 25.879 -2.830 -24.919 1.00 0.71 H new ATOM 0 HH11 ARG A 43 25.237 -5.061 -26.600 1.00 1.01 H new ATOM 0 HH12 ARG A 43 24.442 -6.188 -25.496 1.00 1.01 H new ATOM 0 HH21 ARG A 43 23.815 -3.666 -23.179 1.00 1.10 H new ATOM 0 HH22 ARG A 43 23.626 -5.387 -23.532 1.00 1.10 H new ATOM 687 N PRO A 44 24.502 2.151 -23.195 1.00 1.62 N ATOM 688 CA PRO A 44 25.763 2.831 -22.738 1.00 1.64 C ATOM 689 C PRO A 44 27.030 2.633 -23.626 1.00 1.83 C ATOM 690 O PRO A 44 27.219 1.600 -24.239 1.00 1.94 O ATOM 691 CB PRO A 44 25.891 2.315 -21.284 1.00 1.74 C ATOM 692 CG PRO A 44 24.411 2.276 -20.830 1.00 2.13 C ATOM 693 CD PRO A 44 23.702 1.629 -22.044 1.00 2.00 C ATOM 0 HA PRO A 44 25.696 3.916 -22.816 1.00 1.64 H new ATOM 0 HB2 PRO A 44 26.358 1.331 -21.239 1.00 1.74 H new ATOM 0 HB3 PRO A 44 26.491 2.982 -20.665 1.00 1.74 H new ATOM 0 HG2 PRO A 44 24.281 1.686 -19.923 1.00 2.13 H new ATOM 0 HG3 PRO A 44 24.025 3.273 -20.620 1.00 2.13 H new ATOM 0 HD2 PRO A 44 23.723 0.540 -21.995 1.00 2.00 H new ATOM 0 HD3 PRO A 44 22.655 1.925 -22.109 1.00 2.00 H new ATOM 701 N GLY A 45 27.881 3.629 -23.669 1.00 2.13 N ATOM 702 CA GLY A 45 29.139 3.536 -24.510 1.00 2.58 C ATOM 703 C GLY A 45 30.499 3.188 -23.867 1.00 2.51 C ATOM 704 O GLY A 45 31.277 2.512 -24.504 1.00 2.82 O ATOM 0 H GLY A 45 27.768 4.507 -23.162 1.00 2.13 H new ATOM 0 HA2 GLY A 45 28.952 2.792 -25.284 1.00 2.58 H new ATOM 0 HA3 GLY A 45 29.259 4.496 -25.013 1.00 2.58 H new ATOM 708 N MET A 46 30.768 3.623 -22.663 1.00 2.20 N ATOM 709 CA MET A 46 32.094 3.316 -21.998 1.00 2.16 C ATOM 710 C MET A 46 32.179 2.097 -21.045 1.00 2.13 C ATOM 711 O MET A 46 33.089 1.300 -21.155 1.00 2.18 O ATOM 712 CB MET A 46 32.533 4.582 -21.223 1.00 2.06 C ATOM 713 CG MET A 46 32.798 5.734 -22.206 1.00 1.98 C ATOM 714 SD MET A 46 34.113 5.451 -23.416 1.00 1.75 S ATOM 715 CE MET A 46 35.517 5.546 -22.276 1.00 3.50 C ATOM 0 H MET A 46 30.128 4.183 -22.099 1.00 2.20 H new ATOM 0 HA MET A 46 32.748 3.031 -22.822 1.00 2.16 H new ATOM 0 HB2 MET A 46 31.759 4.870 -20.512 1.00 2.06 H new ATOM 0 HB3 MET A 46 33.433 4.371 -20.646 1.00 2.06 H new ATOM 0 HG2 MET A 46 31.874 5.947 -22.744 1.00 1.98 H new ATOM 0 HG3 MET A 46 33.045 6.627 -21.632 1.00 1.98 H new ATOM 0 HE1 MET A 46 36.445 5.592 -22.845 1.00 3.50 H new ATOM 0 HE2 MET A 46 35.425 6.440 -21.659 1.00 3.50 H new ATOM 0 HE3 MET A 46 35.527 4.663 -21.637 1.00 3.50 H new ATOM 725 N LEU A 47 31.254 1.962 -20.129 1.00 2.02 N ATOM 726 CA LEU A 47 31.299 0.791 -19.177 1.00 1.95 C ATOM 727 C LEU A 47 30.272 -0.316 -19.518 1.00 2.05 C ATOM 728 O LEU A 47 29.235 -0.052 -20.102 1.00 4.12 O ATOM 729 CB LEU A 47 31.017 1.285 -17.727 1.00 1.55 C ATOM 730 CG LEU A 47 32.195 2.036 -17.076 1.00 1.70 C ATOM 731 CD1 LEU A 47 32.355 3.456 -17.631 1.00 4.38 C ATOM 732 CD2 LEU A 47 31.919 2.123 -15.572 1.00 2.42 C ATOM 0 H LEU A 47 30.472 2.602 -19.993 1.00 2.02 H new ATOM 0 HA LEU A 47 32.296 0.360 -19.268 1.00 1.95 H new ATOM 0 HB2 LEU A 47 30.146 1.940 -17.741 1.00 1.55 H new ATOM 0 HB3 LEU A 47 30.760 0.427 -17.106 1.00 1.55 H new ATOM 0 HG LEU A 47 33.115 1.493 -17.292 1.00 1.70 H new ATOM 0 HD11 LEU A 47 33.197 3.945 -17.142 1.00 4.38 H new ATOM 0 HD12 LEU A 47 32.536 3.409 -18.705 1.00 4.38 H new ATOM 0 HD13 LEU A 47 31.445 4.025 -17.441 1.00 4.38 H new ATOM 0 HD21 LEU A 47 32.737 2.651 -15.082 1.00 2.42 H new ATOM 0 HD22 LEU A 47 30.987 2.662 -15.404 1.00 2.42 H new ATOM 0 HD23 LEU A 47 31.836 1.118 -15.159 1.00 2.42 H new ATOM 744 N ASP A 48 30.584 -1.524 -19.113 1.00 0.59 N ATOM 745 CA ASP A 48 29.658 -2.668 -19.392 1.00 0.81 C ATOM 746 C ASP A 48 29.064 -3.274 -18.111 1.00 0.76 C ATOM 747 O ASP A 48 27.944 -2.929 -17.793 1.00 0.99 O ATOM 748 CB ASP A 48 30.440 -3.747 -20.223 1.00 1.09 C ATOM 749 CG ASP A 48 30.159 -3.505 -21.704 1.00 1.63 C ATOM 750 OD1 ASP A 48 30.807 -2.656 -22.284 1.00 0.87 O ATOM 751 OD2 ASP A 48 29.286 -4.160 -22.248 1.00 3.53 O ATOM 0 H ASP A 48 31.434 -1.767 -18.604 1.00 0.59 H new ATOM 0 HA ASP A 48 28.807 -2.298 -19.964 1.00 0.81 H new ATOM 0 HB2 ASP A 48 31.509 -3.679 -20.023 1.00 1.09 H new ATOM 0 HB3 ASP A 48 30.125 -4.750 -19.935 1.00 1.09 H new ATOM 756 N PHE A 49 29.796 -4.119 -17.428 1.00 0.87 N ATOM 757 CA PHE A 49 29.287 -4.757 -16.157 1.00 0.81 C ATOM 758 C PHE A 49 28.577 -3.732 -15.249 1.00 0.78 C ATOM 759 O PHE A 49 27.606 -4.012 -14.577 1.00 0.98 O ATOM 760 CB PHE A 49 30.474 -5.402 -15.379 1.00 0.75 C ATOM 761 CG PHE A 49 31.205 -4.346 -14.536 1.00 0.31 C ATOM 762 CD1 PHE A 49 32.052 -3.430 -15.128 1.00 2.24 C ATOM 763 CD2 PHE A 49 30.994 -4.296 -13.168 1.00 2.31 C ATOM 764 CE1 PHE A 49 32.682 -2.473 -14.362 1.00 2.54 C ATOM 765 CE2 PHE A 49 31.621 -3.343 -12.401 1.00 2.09 C ATOM 766 CZ PHE A 49 32.464 -2.432 -12.998 1.00 0.71 C ATOM 0 H PHE A 49 30.739 -4.403 -17.695 1.00 0.87 H new ATOM 0 HA PHE A 49 28.562 -5.522 -16.437 1.00 0.81 H new ATOM 0 HB2 PHE A 49 30.103 -6.198 -14.733 1.00 0.75 H new ATOM 0 HB3 PHE A 49 31.170 -5.860 -16.081 1.00 0.75 H new ATOM 0 HD1 PHE A 49 32.221 -3.464 -16.194 1.00 2.24 H new ATOM 0 HD2 PHE A 49 30.332 -5.010 -12.701 1.00 2.31 H new ATOM 0 HE1 PHE A 49 33.344 -1.757 -14.826 1.00 2.54 H new ATOM 0 HE2 PHE A 49 31.453 -3.309 -11.335 1.00 2.09 H new ATOM 0 HZ PHE A 49 32.957 -1.682 -12.397 1.00 0.71 H new ATOM 776 N LYS A 50 29.147 -2.562 -15.282 1.00 0.56 N ATOM 777 CA LYS A 50 28.644 -1.406 -14.492 1.00 0.44 C ATOM 778 C LYS A 50 27.757 -0.451 -15.286 1.00 0.54 C ATOM 779 O LYS A 50 27.040 0.324 -14.687 1.00 0.88 O ATOM 780 CB LYS A 50 29.875 -0.691 -13.913 1.00 0.45 C ATOM 781 CG LYS A 50 29.451 0.508 -13.053 1.00 0.77 C ATOM 782 CD LYS A 50 30.666 0.996 -12.251 1.00 1.11 C ATOM 783 CE LYS A 50 30.274 2.208 -11.411 1.00 1.55 C ATOM 784 NZ LYS A 50 31.511 2.665 -10.702 1.00 2.51 N ATOM 0 H LYS A 50 29.971 -2.353 -15.845 1.00 0.56 H new ATOM 0 HA LYS A 50 27.990 -1.774 -13.701 1.00 0.44 H new ATOM 0 HB2 LYS A 50 30.457 -1.389 -13.311 1.00 0.45 H new ATOM 0 HB3 LYS A 50 30.521 -0.353 -14.724 1.00 0.45 H new ATOM 0 HG2 LYS A 50 29.069 1.310 -13.685 1.00 0.77 H new ATOM 0 HG3 LYS A 50 28.644 0.222 -12.379 1.00 0.77 H new ATOM 0 HD2 LYS A 50 31.033 0.198 -11.606 1.00 1.11 H new ATOM 0 HD3 LYS A 50 31.479 1.258 -12.928 1.00 1.11 H new ATOM 0 HE2 LYS A 50 29.875 3.002 -12.042 1.00 1.55 H new ATOM 0 HE3 LYS A 50 29.494 1.946 -10.696 1.00 1.55 H new ATOM 0 HZ1 LYS A 50 31.288 3.494 -10.115 1.00 2.51 H new ATOM 0 HZ2 LYS A 50 31.868 1.898 -10.097 1.00 2.51 H new ATOM 0 HZ3 LYS A 50 32.237 2.921 -11.401 1.00 2.51 H new ATOM 798 N GLY A 51 27.850 -0.512 -16.584 1.00 0.39 N ATOM 799 CA GLY A 51 27.031 0.359 -17.512 1.00 0.49 C ATOM 800 C GLY A 51 26.124 -0.510 -18.408 1.00 0.40 C ATOM 801 O GLY A 51 24.942 -0.595 -18.162 1.00 0.64 O ATOM 0 H GLY A 51 28.480 -1.150 -17.070 1.00 0.39 H new ATOM 0 HA2 GLY A 51 26.422 1.050 -16.929 1.00 0.49 H new ATOM 0 HA3 GLY A 51 27.693 0.963 -18.132 1.00 0.49 H new ATOM 805 N LYS A 52 26.630 -1.136 -19.440 1.00 0.44 N ATOM 806 CA LYS A 52 25.702 -1.996 -20.289 1.00 0.53 C ATOM 807 C LYS A 52 24.765 -2.888 -19.456 1.00 0.39 C ATOM 808 O LYS A 52 23.641 -3.085 -19.851 1.00 0.65 O ATOM 809 CB LYS A 52 26.462 -2.973 -21.229 1.00 0.64 C ATOM 810 CG LYS A 52 26.798 -2.336 -22.595 1.00 0.48 C ATOM 811 CD LYS A 52 27.780 -1.163 -22.435 1.00 1.76 C ATOM 812 CE LYS A 52 28.451 -0.806 -23.750 1.00 1.84 C ATOM 813 NZ LYS A 52 29.274 -1.985 -24.148 1.00 0.72 N ATOM 0 H LYS A 52 27.605 -1.103 -19.737 1.00 0.44 H new ATOM 0 HA LYS A 52 25.139 -1.255 -20.857 1.00 0.53 H new ATOM 0 HB2 LYS A 52 27.384 -3.295 -20.745 1.00 0.64 H new ATOM 0 HB3 LYS A 52 25.857 -3.866 -21.387 1.00 0.64 H new ATOM 0 HG2 LYS A 52 27.231 -3.089 -23.254 1.00 0.48 H new ATOM 0 HG3 LYS A 52 25.882 -1.985 -23.071 1.00 0.48 H new ATOM 0 HD2 LYS A 52 27.248 -0.293 -22.051 1.00 1.76 H new ATOM 0 HD3 LYS A 52 28.540 -1.423 -21.698 1.00 1.76 H new ATOM 0 HE2 LYS A 52 27.708 -0.578 -24.514 1.00 1.84 H new ATOM 0 HE3 LYS A 52 29.075 0.081 -23.637 1.00 1.84 H new ATOM 0 HZ1 LYS A 52 29.504 -1.922 -25.160 1.00 0.72 H new ATOM 0 HZ2 LYS A 52 30.153 -1.998 -23.593 1.00 0.72 H new ATOM 0 HZ3 LYS A 52 28.739 -2.858 -23.969 1.00 0.72 H new ATOM 827 N ALA A 53 25.278 -3.324 -18.335 1.00 0.63 N ATOM 828 CA ALA A 53 24.554 -4.203 -17.406 1.00 0.74 C ATOM 829 C ALA A 53 23.345 -3.433 -16.883 1.00 0.78 C ATOM 830 O ALA A 53 22.241 -3.868 -17.105 1.00 0.74 O ATOM 831 CB ALA A 53 25.497 -4.577 -16.280 1.00 0.93 C ATOM 0 H ALA A 53 26.219 -3.086 -18.023 1.00 0.63 H new ATOM 0 HA ALA A 53 24.210 -5.117 -17.890 1.00 0.74 H new ATOM 0 HB1 ALA A 53 24.982 -5.230 -15.576 1.00 0.93 H new ATOM 0 HB2 ALA A 53 26.364 -5.096 -16.689 1.00 0.93 H new ATOM 0 HB3 ALA A 53 25.824 -3.674 -15.764 1.00 0.93 H new ATOM 837 N LYS A 54 23.525 -2.321 -16.203 1.00 0.86 N ATOM 838 CA LYS A 54 22.318 -1.597 -15.722 1.00 0.92 C ATOM 839 C LYS A 54 21.387 -1.276 -16.897 1.00 0.73 C ATOM 840 O LYS A 54 20.211 -1.063 -16.684 1.00 0.72 O ATOM 841 CB LYS A 54 22.777 -0.331 -15.010 1.00 1.17 C ATOM 842 CG LYS A 54 23.817 0.439 -15.847 1.00 0.91 C ATOM 843 CD LYS A 54 24.217 1.649 -15.034 1.00 1.23 C ATOM 844 CE LYS A 54 23.190 2.768 -15.230 1.00 1.94 C ATOM 845 NZ LYS A 54 23.158 3.642 -14.038 1.00 1.14 N ATOM 0 H LYS A 54 24.425 -1.901 -15.970 1.00 0.86 H new ATOM 0 HA LYS A 54 21.753 -2.216 -15.026 1.00 0.92 H new ATOM 0 HB2 LYS A 54 21.918 0.310 -14.815 1.00 1.17 H new ATOM 0 HB3 LYS A 54 23.207 -0.591 -14.043 1.00 1.17 H new ATOM 0 HG2 LYS A 54 24.683 -0.188 -16.060 1.00 0.91 H new ATOM 0 HG3 LYS A 54 23.396 0.739 -16.807 1.00 0.91 H new ATOM 0 HD2 LYS A 54 24.283 1.384 -13.979 1.00 1.23 H new ATOM 0 HD3 LYS A 54 25.206 1.993 -15.339 1.00 1.23 H new ATOM 0 HE2 LYS A 54 23.443 3.354 -16.114 1.00 1.94 H new ATOM 0 HE3 LYS A 54 22.203 2.340 -15.403 1.00 1.94 H new ATOM 0 HZ1 LYS A 54 22.262 3.503 -13.529 1.00 1.14 H new ATOM 0 HZ2 LYS A 54 23.953 3.403 -13.411 1.00 1.14 H new ATOM 0 HZ3 LYS A 54 23.237 4.636 -14.334 1.00 1.14 H new ATOM 859 N TRP A 55 21.852 -1.214 -18.120 1.00 0.78 N ATOM 860 CA TRP A 55 20.883 -0.915 -19.234 1.00 0.60 C ATOM 861 C TRP A 55 20.206 -2.280 -19.456 1.00 0.41 C ATOM 862 O TRP A 55 19.029 -2.443 -19.202 1.00 0.60 O ATOM 863 CB TRP A 55 21.675 -0.484 -20.458 1.00 0.70 C ATOM 864 CG TRP A 55 20.726 0.208 -21.438 1.00 0.83 C ATOM 865 CD1 TRP A 55 20.226 1.461 -21.246 1.00 1.06 C ATOM 866 CD2 TRP A 55 20.248 -0.299 -22.598 1.00 0.88 C ATOM 867 NE1 TRP A 55 19.469 1.641 -22.304 1.00 1.21 N ATOM 868 CE2 TRP A 55 19.411 0.648 -23.178 1.00 1.15 C ATOM 869 CE3 TRP A 55 20.453 -1.523 -23.249 1.00 0.85 C ATOM 870 CZ2 TRP A 55 18.779 0.385 -24.385 1.00 1.37 C ATOM 871 CZ3 TRP A 55 19.822 -1.787 -24.458 1.00 1.08 C ATOM 872 CH2 TRP A 55 18.980 -0.833 -25.031 1.00 1.33 C ATOM 0 H TRP A 55 22.824 -1.351 -18.396 1.00 0.78 H new ATOM 0 HA TRP A 55 20.165 -0.121 -19.026 1.00 0.60 H new ATOM 0 HB2 TRP A 55 22.479 0.193 -20.169 1.00 0.70 H new ATOM 0 HB3 TRP A 55 22.141 -1.349 -20.930 1.00 0.70 H new ATOM 0 HD1 TRP A 55 20.408 2.139 -20.425 1.00 1.06 H new ATOM 0 HE1 TRP A 55 18.949 2.507 -22.446 1.00 1.21 H new ATOM 0 HE3 TRP A 55 21.104 -2.264 -22.809 1.00 0.85 H new ATOM 0 HZ2 TRP A 55 18.129 1.127 -24.825 1.00 1.37 H new ATOM 0 HZ3 TRP A 55 19.983 -2.732 -24.955 1.00 1.08 H new ATOM 0 HH2 TRP A 55 18.487 -1.038 -25.970 1.00 1.33 H new ATOM 883 N ASP A 56 20.963 -3.228 -19.944 1.00 0.49 N ATOM 884 CA ASP A 56 20.494 -4.620 -20.199 1.00 0.43 C ATOM 885 C ASP A 56 19.479 -5.058 -19.137 1.00 0.42 C ATOM 886 O ASP A 56 18.331 -5.322 -19.425 1.00 0.43 O ATOM 887 CB ASP A 56 21.793 -5.439 -20.194 1.00 0.50 C ATOM 888 CG ASP A 56 22.501 -5.439 -21.524 1.00 0.83 C ATOM 889 OD1 ASP A 56 21.856 -5.467 -22.557 1.00 1.73 O ATOM 890 OD2 ASP A 56 23.713 -5.412 -21.469 1.00 2.84 O ATOM 0 H ASP A 56 21.942 -3.081 -20.189 1.00 0.49 H new ATOM 0 HA ASP A 56 19.954 -4.744 -21.138 1.00 0.43 H new ATOM 0 HB2 ASP A 56 22.463 -5.040 -19.433 1.00 0.50 H new ATOM 0 HB3 ASP A 56 21.566 -6.467 -19.911 1.00 0.50 H new ATOM 895 N ALA A 57 19.980 -5.092 -17.934 1.00 0.44 N ATOM 896 CA ALA A 57 19.188 -5.481 -16.747 1.00 0.46 C ATOM 897 C ALA A 57 17.806 -4.820 -16.795 1.00 0.45 C ATOM 898 O ALA A 57 16.808 -5.443 -16.492 1.00 0.42 O ATOM 899 CB ALA A 57 20.000 -5.050 -15.539 1.00 0.43 C ATOM 0 H ALA A 57 20.949 -4.854 -17.723 1.00 0.44 H new ATOM 0 HA ALA A 57 19.003 -6.554 -16.705 1.00 0.46 H new ATOM 0 HB1 ALA A 57 19.463 -5.312 -14.627 1.00 0.43 H new ATOM 0 HB2 ALA A 57 20.965 -5.556 -15.550 1.00 0.43 H new ATOM 0 HB3 ALA A 57 20.155 -3.972 -15.571 1.00 0.43 H new ATOM 905 N TRP A 58 17.743 -3.565 -17.178 1.00 0.55 N ATOM 906 CA TRP A 58 16.386 -2.921 -17.229 1.00 0.51 C ATOM 907 C TRP A 58 15.739 -3.240 -18.572 1.00 0.60 C ATOM 908 O TRP A 58 14.547 -3.487 -18.582 1.00 0.74 O ATOM 909 CB TRP A 58 16.463 -1.374 -17.063 1.00 0.26 C ATOM 910 CG TRP A 58 15.032 -0.769 -17.226 1.00 0.28 C ATOM 911 CD1 TRP A 58 13.837 -1.388 -16.933 1.00 0.57 C ATOM 912 CD2 TRP A 58 14.763 0.466 -17.697 1.00 0.67 C ATOM 913 NE1 TRP A 58 12.934 -0.478 -17.255 1.00 0.72 N ATOM 914 CE2 TRP A 58 13.390 0.665 -17.717 1.00 0.91 C ATOM 915 CE3 TRP A 58 15.603 1.490 -18.121 1.00 1.04 C ATOM 916 CZ2 TRP A 58 12.859 1.868 -18.154 1.00 1.39 C ATOM 917 CZ3 TRP A 58 15.067 2.703 -18.563 1.00 1.58 C ATOM 918 CH2 TRP A 58 13.695 2.892 -18.578 1.00 1.73 C ATOM 0 H TRP A 58 18.533 -2.979 -17.447 1.00 0.55 H new ATOM 0 HA TRP A 58 15.797 -3.318 -16.402 1.00 0.51 H new ATOM 0 HB2 TRP A 58 16.869 -1.121 -16.083 1.00 0.26 H new ATOM 0 HB3 TRP A 58 17.137 -0.949 -17.807 1.00 0.26 H new ATOM 0 HD1 TRP A 58 13.676 -2.379 -16.535 1.00 0.57 H new ATOM 0 HE1 TRP A 58 11.935 -0.654 -17.150 1.00 0.72 H new ATOM 0 HE3 TRP A 58 16.673 1.348 -18.109 1.00 1.04 H new ATOM 0 HZ2 TRP A 58 11.788 2.010 -18.165 1.00 1.39 H new ATOM 0 HZ3 TRP A 58 15.724 3.494 -18.893 1.00 1.58 H new ATOM 0 HH2 TRP A 58 13.279 3.829 -18.917 1.00 1.73 H new ATOM 929 N ASN A 59 16.444 -3.273 -19.675 1.00 0.48 N ATOM 930 CA ASN A 59 15.770 -3.588 -20.977 1.00 0.50 C ATOM 931 C ASN A 59 15.012 -4.912 -20.776 1.00 0.59 C ATOM 932 O ASN A 59 13.892 -5.054 -21.220 1.00 0.64 O ATOM 933 CB ASN A 59 16.853 -3.727 -22.076 1.00 0.29 C ATOM 934 CG ASN A 59 16.190 -4.051 -23.411 1.00 0.68 C ATOM 935 OD1 ASN A 59 15.312 -3.371 -23.901 1.00 0.63 O ATOM 936 ND2 ASN A 59 16.582 -5.101 -24.046 1.00 1.18 N ATOM 0 H ASN A 59 17.447 -3.098 -19.733 1.00 0.48 H new ATOM 0 HA ASN A 59 15.076 -2.805 -21.283 1.00 0.50 H new ATOM 0 HB2 ASN A 59 17.424 -2.802 -22.157 1.00 0.29 H new ATOM 0 HB3 ASN A 59 17.558 -4.514 -21.808 1.00 0.29 H new ATOM 0 HD21 ASN A 59 16.156 -5.345 -24.940 1.00 1.18 H new ATOM 0 HD22 ASN A 59 17.318 -5.688 -23.655 1.00 1.18 H new ATOM 943 N GLU A 60 15.658 -5.823 -20.085 1.00 0.59 N ATOM 944 CA GLU A 60 15.109 -7.183 -19.773 1.00 0.63 C ATOM 945 C GLU A 60 13.686 -7.224 -19.197 1.00 0.71 C ATOM 946 O GLU A 60 13.039 -8.248 -19.247 1.00 0.82 O ATOM 947 CB GLU A 60 16.091 -7.894 -18.772 1.00 0.66 C ATOM 948 CG GLU A 60 17.453 -8.321 -19.445 1.00 2.35 C ATOM 949 CD GLU A 60 18.446 -8.929 -18.431 1.00 3.00 C ATOM 950 OE1 GLU A 60 18.004 -9.812 -17.720 1.00 3.38 O ATOM 951 OE2 GLU A 60 19.590 -8.499 -18.406 1.00 3.19 O ATOM 0 H GLU A 60 16.592 -5.668 -19.706 1.00 0.59 H new ATOM 0 HA GLU A 60 15.032 -7.694 -20.733 1.00 0.63 H new ATOM 0 HB2 GLU A 60 16.298 -7.224 -17.937 1.00 0.66 H new ATOM 0 HB3 GLU A 60 15.604 -8.777 -18.359 1.00 0.66 H new ATOM 0 HG2 GLU A 60 17.254 -9.047 -20.234 1.00 2.35 H new ATOM 0 HG3 GLU A 60 17.909 -7.452 -19.919 1.00 2.35 H new ATOM 958 N LEU A 61 13.246 -6.117 -18.670 1.00 0.77 N ATOM 959 CA LEU A 61 11.881 -5.993 -18.062 1.00 0.93 C ATOM 960 C LEU A 61 10.991 -5.005 -18.828 1.00 1.11 C ATOM 961 O LEU A 61 9.842 -4.818 -18.472 1.00 1.56 O ATOM 962 CB LEU A 61 12.003 -5.484 -16.606 1.00 0.84 C ATOM 963 CG LEU A 61 13.093 -6.202 -15.817 1.00 0.77 C ATOM 964 CD1 LEU A 61 13.042 -5.685 -14.383 1.00 0.76 C ATOM 965 CD2 LEU A 61 12.823 -7.699 -15.796 1.00 0.80 C ATOM 0 H LEU A 61 13.794 -5.258 -18.632 1.00 0.77 H new ATOM 0 HA LEU A 61 11.426 -6.983 -18.102 1.00 0.93 H new ATOM 0 HB2 LEU A 61 12.213 -4.415 -16.616 1.00 0.84 H new ATOM 0 HB3 LEU A 61 11.047 -5.616 -16.099 1.00 0.84 H new ATOM 0 HG LEU A 61 14.065 -6.019 -16.275 1.00 0.77 H new ATOM 0 HD11 LEU A 61 13.811 -6.180 -13.790 1.00 0.76 H new ATOM 0 HD12 LEU A 61 13.216 -4.609 -14.378 1.00 0.76 H new ATOM 0 HD13 LEU A 61 12.062 -5.896 -13.955 1.00 0.76 H new ATOM 0 HD21 LEU A 61 13.607 -8.202 -15.230 1.00 0.80 H new ATOM 0 HD22 LEU A 61 11.858 -7.888 -15.326 1.00 0.80 H new ATOM 0 HD23 LEU A 61 12.810 -8.081 -16.817 1.00 0.80 H new ATOM 977 N LYS A 62 11.534 -4.404 -19.844 1.00 0.92 N ATOM 978 CA LYS A 62 10.801 -3.416 -20.673 1.00 1.07 C ATOM 979 C LYS A 62 9.299 -3.800 -20.940 1.00 1.48 C ATOM 980 O LYS A 62 9.037 -4.809 -21.566 1.00 3.42 O ATOM 981 CB LYS A 62 11.695 -3.311 -21.932 1.00 1.01 C ATOM 982 CG LYS A 62 11.075 -2.267 -22.813 1.00 1.16 C ATOM 983 CD LYS A 62 11.671 -2.246 -24.230 1.00 1.40 C ATOM 984 CE LYS A 62 10.995 -3.326 -25.047 1.00 2.94 C ATOM 985 NZ LYS A 62 9.523 -3.051 -25.011 1.00 3.33 N ATOM 0 H LYS A 62 12.495 -4.565 -20.145 1.00 0.92 H new ATOM 0 HA LYS A 62 10.667 -2.450 -20.186 1.00 1.07 H new ATOM 0 HB2 LYS A 62 12.714 -3.034 -21.661 1.00 1.01 H new ATOM 0 HB3 LYS A 62 11.751 -4.269 -22.448 1.00 1.01 H new ATOM 0 HG2 LYS A 62 10.002 -2.446 -22.879 1.00 1.16 H new ATOM 0 HG3 LYS A 62 11.208 -1.287 -22.354 1.00 1.16 H new ATOM 0 HD2 LYS A 62 11.519 -1.270 -24.691 1.00 1.40 H new ATOM 0 HD3 LYS A 62 12.747 -2.416 -24.192 1.00 1.40 H new ATOM 0 HE2 LYS A 62 11.363 -3.319 -26.073 1.00 2.94 H new ATOM 0 HE3 LYS A 62 11.213 -4.312 -24.637 1.00 2.94 H new ATOM 0 HZ1 LYS A 62 9.122 -3.185 -25.961 1.00 3.33 H new ATOM 0 HZ2 LYS A 62 9.064 -3.705 -24.346 1.00 3.33 H new ATOM 0 HZ3 LYS A 62 9.360 -2.072 -24.701 1.00 3.33 H new ATOM 999 N GLY A 63 8.358 -3.004 -20.486 1.00 1.06 N ATOM 1000 CA GLY A 63 6.897 -3.347 -20.716 1.00 0.95 C ATOM 1001 C GLY A 63 6.097 -3.654 -19.442 1.00 1.20 C ATOM 1002 O GLY A 63 4.929 -3.335 -19.353 1.00 2.01 O ATOM 0 H GLY A 63 8.525 -2.140 -19.971 1.00 1.06 H new ATOM 0 HA2 GLY A 63 6.421 -2.515 -21.235 1.00 0.95 H new ATOM 0 HA3 GLY A 63 6.842 -4.210 -21.379 1.00 0.95 H new ATOM 1006 N THR A 64 6.744 -4.282 -18.495 1.00 1.03 N ATOM 1007 CA THR A 64 6.074 -4.652 -17.186 1.00 1.13 C ATOM 1008 C THR A 64 5.167 -3.577 -16.560 1.00 0.99 C ATOM 1009 O THR A 64 5.426 -2.394 -16.660 1.00 0.88 O ATOM 1010 CB THR A 64 7.106 -4.979 -16.109 1.00 1.47 C ATOM 1011 OG1 THR A 64 8.035 -5.862 -16.709 1.00 1.45 O ATOM 1012 CG2 THR A 64 6.499 -5.916 -15.081 1.00 1.64 C ATOM 0 H THR A 64 7.722 -4.563 -18.563 1.00 1.03 H new ATOM 0 HA THR A 64 5.457 -5.502 -17.476 1.00 1.13 H new ATOM 0 HB THR A 64 7.488 -4.044 -15.698 1.00 1.47 H new ATOM 0 HG1 THR A 64 8.715 -5.345 -17.188 1.00 1.45 H new ATOM 0 HG21 THR A 64 7.240 -6.146 -14.315 1.00 1.64 H new ATOM 0 HG22 THR A 64 5.635 -5.438 -14.618 1.00 1.64 H new ATOM 0 HG23 THR A 64 6.185 -6.838 -15.570 1.00 1.64 H new ATOM 1020 N SER A 65 4.122 -3.965 -15.875 1.00 1.22 N ATOM 1021 CA SER A 65 3.242 -2.910 -15.268 1.00 1.17 C ATOM 1022 C SER A 65 4.065 -2.330 -14.090 1.00 1.05 C ATOM 1023 O SER A 65 4.590 -3.089 -13.291 1.00 1.01 O ATOM 1024 CB SER A 65 1.919 -3.564 -14.763 1.00 1.32 C ATOM 1025 OG SER A 65 1.188 -3.914 -15.943 1.00 3.31 O ATOM 0 H SER A 65 3.842 -4.932 -15.710 1.00 1.22 H new ATOM 0 HA SER A 65 2.962 -2.131 -15.977 1.00 1.17 H new ATOM 0 HB2 SER A 65 2.124 -4.444 -14.154 1.00 1.32 H new ATOM 0 HB3 SER A 65 1.352 -2.871 -14.141 1.00 1.32 H new ATOM 0 HG SER A 65 0.340 -4.335 -15.690 1.00 3.31 H new ATOM 1031 N LYS A 66 4.180 -1.027 -13.997 1.00 0.92 N ATOM 1032 CA LYS A 66 4.963 -0.391 -12.881 1.00 0.67 C ATOM 1033 C LYS A 66 4.843 -1.155 -11.543 1.00 0.49 C ATOM 1034 O LYS A 66 5.798 -1.529 -10.896 1.00 0.31 O ATOM 1035 CB LYS A 66 4.453 1.076 -12.822 1.00 0.65 C ATOM 1036 CG LYS A 66 4.956 1.786 -14.129 1.00 0.69 C ATOM 1037 CD LYS A 66 4.242 3.131 -14.402 1.00 0.78 C ATOM 1038 CE LYS A 66 2.758 2.909 -14.762 1.00 3.16 C ATOM 1039 NZ LYS A 66 2.166 4.236 -15.142 1.00 3.98 N ATOM 0 H LYS A 66 3.761 -0.367 -14.652 1.00 0.92 H new ATOM 0 HA LYS A 66 6.036 -0.422 -13.069 1.00 0.67 H new ATOM 0 HB2 LYS A 66 3.365 1.105 -12.761 1.00 0.65 H new ATOM 0 HB3 LYS A 66 4.835 1.582 -11.936 1.00 0.65 H new ATOM 0 HG2 LYS A 66 6.029 1.960 -14.051 1.00 0.69 H new ATOM 0 HG3 LYS A 66 4.802 1.121 -14.979 1.00 0.69 H new ATOM 0 HD2 LYS A 66 4.314 3.770 -13.522 1.00 0.78 H new ATOM 0 HD3 LYS A 66 4.743 3.653 -15.217 1.00 0.78 H new ATOM 0 HE2 LYS A 66 2.668 2.202 -15.587 1.00 3.16 H new ATOM 0 HE3 LYS A 66 2.221 2.481 -13.915 1.00 3.16 H new ATOM 0 HZ1 LYS A 66 1.164 4.111 -15.389 1.00 3.98 H new ATOM 0 HZ2 LYS A 66 2.245 4.894 -14.340 1.00 3.98 H new ATOM 0 HZ3 LYS A 66 2.679 4.623 -15.960 1.00 3.98 H new ATOM 1053 N GLU A 67 3.611 -1.351 -11.203 1.00 0.65 N ATOM 1054 CA GLU A 67 3.164 -2.057 -9.982 1.00 0.66 C ATOM 1055 C GLU A 67 3.894 -3.401 -9.760 1.00 0.56 C ATOM 1056 O GLU A 67 4.312 -3.728 -8.671 1.00 0.46 O ATOM 1057 CB GLU A 67 1.641 -2.212 -10.167 1.00 0.85 C ATOM 1058 CG GLU A 67 0.813 -0.880 -9.804 1.00 0.83 C ATOM 1059 CD GLU A 67 -0.723 -1.048 -9.891 1.00 1.10 C ATOM 1060 OE1 GLU A 67 -1.172 -2.094 -9.441 1.00 1.06 O ATOM 1061 OE2 GLU A 67 -1.341 -0.108 -10.387 1.00 3.43 O ATOM 0 H GLU A 67 2.833 -1.021 -11.773 1.00 0.65 H new ATOM 0 HA GLU A 67 3.405 -1.500 -9.076 1.00 0.66 H new ATOM 0 HB2 GLU A 67 1.435 -2.489 -11.201 1.00 0.85 H new ATOM 0 HB3 GLU A 67 1.288 -3.032 -9.541 1.00 0.85 H new ATOM 0 HG2 GLU A 67 1.077 -0.565 -8.794 1.00 0.83 H new ATOM 0 HG3 GLU A 67 1.119 -0.080 -10.478 1.00 0.83 H new ATOM 1068 N ASP A 68 4.058 -4.194 -10.776 1.00 0.61 N ATOM 1069 CA ASP A 68 4.752 -5.507 -10.649 1.00 0.56 C ATOM 1070 C ASP A 68 6.218 -5.284 -10.365 1.00 0.48 C ATOM 1071 O ASP A 68 6.821 -5.905 -9.502 1.00 0.44 O ATOM 1072 CB ASP A 68 4.497 -6.203 -11.955 1.00 0.84 C ATOM 1073 CG ASP A 68 3.051 -6.610 -11.984 1.00 1.20 C ATOM 1074 OD1 ASP A 68 2.245 -5.702 -12.058 1.00 3.30 O ATOM 1075 OD2 ASP A 68 2.809 -7.791 -11.907 1.00 0.82 O ATOM 0 H ASP A 68 3.731 -3.983 -11.719 1.00 0.61 H new ATOM 0 HA ASP A 68 4.390 -6.117 -9.821 1.00 0.56 H new ATOM 0 HB2 ASP A 68 4.724 -5.542 -12.791 1.00 0.84 H new ATOM 0 HB3 ASP A 68 5.142 -7.076 -12.055 1.00 0.84 H new ATOM 1080 N ALA A 69 6.728 -4.349 -11.110 1.00 0.48 N ATOM 1081 CA ALA A 69 8.162 -4.000 -10.955 1.00 0.39 C ATOM 1082 C ALA A 69 8.246 -3.657 -9.455 1.00 0.28 C ATOM 1083 O ALA A 69 9.171 -4.094 -8.806 1.00 0.32 O ATOM 1084 CB ALA A 69 8.464 -2.815 -11.838 1.00 0.36 C ATOM 0 H ALA A 69 6.219 -3.815 -11.814 1.00 0.48 H new ATOM 0 HA ALA A 69 8.875 -4.774 -11.239 1.00 0.39 H new ATOM 0 HB1 ALA A 69 9.515 -2.544 -11.737 1.00 0.36 H new ATOM 0 HB2 ALA A 69 8.254 -3.072 -12.876 1.00 0.36 H new ATOM 0 HB3 ALA A 69 7.842 -1.971 -11.540 1.00 0.36 H new ATOM 1090 N MET A 70 7.290 -2.905 -8.954 1.00 0.25 N ATOM 1091 CA MET A 70 7.299 -2.547 -7.503 1.00 0.13 C ATOM 1092 C MET A 70 7.250 -3.834 -6.645 1.00 0.23 C ATOM 1093 O MET A 70 8.142 -4.053 -5.853 1.00 0.28 O ATOM 1094 CB MET A 70 6.071 -1.667 -7.162 1.00 0.20 C ATOM 1095 CG MET A 70 6.033 -0.344 -7.950 1.00 0.19 C ATOM 1096 SD MET A 70 4.703 0.815 -7.553 1.00 0.75 S ATOM 1097 CE MET A 70 5.196 2.149 -8.674 1.00 0.78 C ATOM 0 H MET A 70 6.508 -2.527 -9.489 1.00 0.25 H new ATOM 0 HA MET A 70 8.213 -1.994 -7.287 1.00 0.13 H new ATOM 0 HB2 MET A 70 5.161 -2.230 -7.367 1.00 0.20 H new ATOM 0 HB3 MET A 70 6.076 -1.446 -6.095 1.00 0.20 H new ATOM 0 HG2 MET A 70 6.984 0.167 -7.798 1.00 0.19 H new ATOM 0 HG3 MET A 70 5.966 -0.584 -9.011 1.00 0.19 H new ATOM 0 HE1 MET A 70 4.891 3.108 -8.255 1.00 0.78 H new ATOM 0 HE2 MET A 70 6.279 2.136 -8.801 1.00 0.78 H new ATOM 0 HE3 MET A 70 4.716 2.007 -9.642 1.00 0.78 H new ATOM 1107 N LYS A 71 6.209 -4.618 -6.846 1.00 0.40 N ATOM 1108 CA LYS A 71 5.967 -5.918 -6.121 1.00 0.67 C ATOM 1109 C LYS A 71 7.272 -6.644 -5.839 1.00 0.72 C ATOM 1110 O LYS A 71 7.461 -7.138 -4.751 1.00 1.19 O ATOM 1111 CB LYS A 71 5.087 -6.917 -6.948 1.00 0.77 C ATOM 1112 CG LYS A 71 3.639 -6.452 -7.167 1.00 1.15 C ATOM 1113 CD LYS A 71 2.973 -7.499 -8.129 1.00 2.29 C ATOM 1114 CE LYS A 71 1.594 -7.055 -8.662 1.00 2.53 C ATOM 1115 NZ LYS A 71 1.703 -5.757 -9.410 1.00 2.36 N ATOM 0 H LYS A 71 5.478 -4.395 -7.521 1.00 0.40 H new ATOM 0 HA LYS A 71 5.455 -5.635 -5.201 1.00 0.67 H new ATOM 0 HB2 LYS A 71 5.555 -7.078 -7.919 1.00 0.77 H new ATOM 0 HB3 LYS A 71 5.074 -7.880 -6.437 1.00 0.77 H new ATOM 0 HG2 LYS A 71 3.102 -6.399 -6.220 1.00 1.15 H new ATOM 0 HG3 LYS A 71 3.614 -5.454 -7.604 1.00 1.15 H new ATOM 0 HD2 LYS A 71 3.639 -7.680 -8.973 1.00 2.29 H new ATOM 0 HD3 LYS A 71 2.862 -8.446 -7.601 1.00 2.29 H new ATOM 0 HE2 LYS A 71 1.188 -7.825 -9.318 1.00 2.53 H new ATOM 0 HE3 LYS A 71 0.897 -6.944 -7.831 1.00 2.53 H new ATOM 0 HZ1 LYS A 71 1.030 -5.070 -9.014 1.00 2.36 H new ATOM 0 HZ2 LYS A 71 2.670 -5.385 -9.321 1.00 2.36 H new ATOM 0 HZ3 LYS A 71 1.485 -5.916 -10.414 1.00 2.36 H new ATOM 1129 N ALA A 72 8.123 -6.674 -6.833 1.00 0.52 N ATOM 1130 CA ALA A 72 9.426 -7.364 -6.658 1.00 0.56 C ATOM 1131 C ALA A 72 10.449 -6.337 -6.129 1.00 0.62 C ATOM 1132 O ALA A 72 11.119 -6.613 -5.160 1.00 1.09 O ATOM 1133 CB ALA A 72 9.746 -7.945 -8.046 1.00 0.48 C ATOM 0 H ALA A 72 7.969 -6.253 -7.749 1.00 0.52 H new ATOM 0 HA ALA A 72 9.433 -8.174 -5.929 1.00 0.56 H new ATOM 0 HB1 ALA A 72 10.698 -8.475 -8.008 1.00 0.48 H new ATOM 0 HB2 ALA A 72 8.957 -8.637 -8.342 1.00 0.48 H new ATOM 0 HB3 ALA A 72 9.810 -7.136 -8.773 1.00 0.48 H new ATOM 1139 N TYR A 73 10.569 -5.183 -6.734 1.00 0.19 N ATOM 1140 CA TYR A 73 11.541 -4.146 -6.267 1.00 0.23 C ATOM 1141 C TYR A 73 11.597 -4.083 -4.737 1.00 0.32 C ATOM 1142 O TYR A 73 12.641 -4.212 -4.133 1.00 0.37 O ATOM 1143 CB TYR A 73 11.087 -2.819 -6.858 1.00 0.21 C ATOM 1144 CG TYR A 73 11.990 -1.672 -6.428 1.00 0.30 C ATOM 1145 CD1 TYR A 73 13.215 -1.497 -7.028 1.00 0.34 C ATOM 1146 CD2 TYR A 73 11.590 -0.794 -5.439 1.00 0.37 C ATOM 1147 CE1 TYR A 73 14.027 -0.458 -6.643 1.00 0.42 C ATOM 1148 CE2 TYR A 73 12.410 0.242 -5.065 1.00 0.46 C ATOM 1149 CZ TYR A 73 13.624 0.412 -5.661 1.00 0.48 C ATOM 1150 OH TYR A 73 14.415 1.460 -5.254 1.00 0.52 O ATOM 0 H TYR A 73 10.022 -4.909 -7.550 1.00 0.19 H new ATOM 0 HA TYR A 73 12.551 -4.390 -6.597 1.00 0.23 H new ATOM 0 HB2 TYR A 73 11.080 -2.889 -7.946 1.00 0.21 H new ATOM 0 HB3 TYR A 73 10.063 -2.613 -6.545 1.00 0.21 H new ATOM 0 HD1 TYR A 73 13.539 -2.177 -7.802 1.00 0.34 H new ATOM 0 HD2 TYR A 73 10.631 -0.923 -4.959 1.00 0.37 H new ATOM 0 HE1 TYR A 73 14.989 -0.325 -7.116 1.00 0.42 H new ATOM 0 HE2 TYR A 73 12.091 0.927 -4.293 1.00 0.46 H new ATOM 0 HH TYR A 73 14.944 1.784 -6.012 1.00 0.52 H new ATOM 1160 N ILE A 74 10.424 -3.904 -4.197 1.00 0.32 N ATOM 1161 CA ILE A 74 10.217 -3.801 -2.721 1.00 0.39 C ATOM 1162 C ILE A 74 10.750 -5.050 -2.011 1.00 0.46 C ATOM 1163 O ILE A 74 11.320 -4.930 -0.949 1.00 0.78 O ATOM 1164 CB ILE A 74 8.709 -3.585 -2.508 1.00 0.49 C ATOM 1165 CG1 ILE A 74 8.295 -2.301 -3.257 1.00 0.49 C ATOM 1166 CG2 ILE A 74 8.444 -3.317 -1.007 1.00 0.81 C ATOM 1167 CD1 ILE A 74 6.778 -2.298 -3.433 1.00 0.81 C ATOM 0 H ILE A 74 9.564 -3.821 -4.740 1.00 0.32 H new ATOM 0 HA ILE A 74 10.771 -2.968 -2.288 1.00 0.39 H new ATOM 0 HB ILE A 74 8.162 -4.460 -2.858 1.00 0.49 H new ATOM 0 HG12 ILE A 74 8.611 -1.420 -2.698 1.00 0.49 H new ATOM 0 HG13 ILE A 74 8.787 -2.256 -4.228 1.00 0.49 H new ATOM 0 HG21 ILE A 74 7.377 -3.163 -0.848 1.00 0.81 H new ATOM 0 HG22 ILE A 74 8.779 -4.172 -0.420 1.00 0.81 H new ATOM 0 HG23 ILE A 74 8.990 -2.427 -0.694 1.00 0.81 H new ATOM 0 HD11 ILE A 74 6.475 -1.394 -3.962 1.00 0.81 H new ATOM 0 HD12 ILE A 74 6.477 -3.173 -4.009 1.00 0.81 H new ATOM 0 HD13 ILE A 74 6.298 -2.324 -2.455 1.00 0.81 H new ATOM 1179 N ASP A 75 10.597 -6.208 -2.596 1.00 0.31 N ATOM 1180 CA ASP A 75 11.090 -7.493 -1.981 1.00 0.36 C ATOM 1181 C ASP A 75 12.576 -7.705 -2.272 1.00 0.18 C ATOM 1182 O ASP A 75 13.301 -8.428 -1.604 1.00 0.24 O ATOM 1183 CB ASP A 75 10.235 -8.615 -2.539 1.00 0.50 C ATOM 1184 CG ASP A 75 9.542 -9.401 -1.414 1.00 1.21 C ATOM 1185 OD1 ASP A 75 9.046 -8.789 -0.481 1.00 2.05 O ATOM 1186 OD2 ASP A 75 9.568 -10.614 -1.562 1.00 1.11 O ATOM 0 H ASP A 75 10.139 -6.328 -3.500 1.00 0.31 H new ATOM 0 HA ASP A 75 10.999 -7.464 -0.895 1.00 0.36 H new ATOM 0 HB2 ASP A 75 9.484 -8.202 -3.213 1.00 0.50 H new ATOM 0 HB3 ASP A 75 10.856 -9.290 -3.128 1.00 0.50 H new ATOM 1191 N LYS A 76 12.979 -6.998 -3.284 1.00 0.26 N ATOM 1192 CA LYS A 76 14.400 -7.107 -3.663 1.00 0.36 C ATOM 1193 C LYS A 76 15.019 -6.318 -2.486 1.00 0.24 C ATOM 1194 O LYS A 76 15.872 -6.807 -1.768 1.00 0.21 O ATOM 1195 CB LYS A 76 14.639 -6.404 -5.001 1.00 0.52 C ATOM 1196 CG LYS A 76 15.971 -6.875 -5.580 1.00 0.74 C ATOM 1197 CD LYS A 76 17.073 -6.939 -4.514 1.00 1.66 C ATOM 1198 CE LYS A 76 18.406 -7.472 -4.996 1.00 3.18 C ATOM 1199 NZ LYS A 76 18.289 -8.027 -6.377 1.00 3.04 N ATOM 0 H LYS A 76 12.405 -6.370 -3.847 1.00 0.26 H new ATOM 0 HA LYS A 76 14.793 -8.114 -3.802 1.00 0.36 H new ATOM 0 HB2 LYS A 76 13.828 -6.627 -5.694 1.00 0.52 H new ATOM 0 HB3 LYS A 76 14.651 -5.323 -4.861 1.00 0.52 H new ATOM 0 HG2 LYS A 76 15.843 -7.860 -6.028 1.00 0.74 H new ATOM 0 HG3 LYS A 76 16.278 -6.199 -6.378 1.00 0.74 H new ATOM 0 HD2 LYS A 76 17.225 -5.938 -4.110 1.00 1.66 H new ATOM 0 HD3 LYS A 76 16.725 -7.565 -3.692 1.00 1.66 H new ATOM 0 HE2 LYS A 76 19.148 -6.674 -4.982 1.00 3.18 H new ATOM 0 HE3 LYS A 76 18.759 -8.248 -4.317 1.00 3.18 H new ATOM 0 HZ1 LYS A 76 19.160 -7.825 -6.907 1.00 3.04 H new ATOM 0 HZ2 LYS A 76 18.145 -9.056 -6.327 1.00 3.04 H new ATOM 0 HZ3 LYS A 76 17.480 -7.587 -6.860 1.00 3.04 H new ATOM 1213 N VAL A 77 14.553 -5.100 -2.324 1.00 0.26 N ATOM 1214 CA VAL A 77 15.060 -4.236 -1.216 1.00 0.25 C ATOM 1215 C VAL A 77 15.072 -5.097 0.048 1.00 0.27 C ATOM 1216 O VAL A 77 16.092 -5.169 0.692 1.00 0.33 O ATOM 1217 CB VAL A 77 14.152 -3.004 -1.003 1.00 0.22 C ATOM 1218 CG1 VAL A 77 14.737 -2.198 0.170 1.00 0.22 C ATOM 1219 CG2 VAL A 77 14.202 -2.087 -2.247 1.00 0.29 C ATOM 0 H VAL A 77 13.842 -4.669 -2.915 1.00 0.26 H new ATOM 0 HA VAL A 77 16.056 -3.863 -1.457 1.00 0.25 H new ATOM 0 HB VAL A 77 13.129 -3.331 -0.819 1.00 0.22 H new ATOM 0 HG11 VAL A 77 14.120 -1.318 0.350 1.00 0.22 H new ATOM 0 HG12 VAL A 77 14.754 -2.819 1.066 1.00 0.22 H new ATOM 0 HG13 VAL A 77 15.752 -1.886 -0.074 1.00 0.22 H new ATOM 0 HG21 VAL A 77 13.559 -1.222 -2.087 1.00 0.29 H new ATOM 0 HG22 VAL A 77 15.226 -1.752 -2.411 1.00 0.29 H new ATOM 0 HG23 VAL A 77 13.856 -2.640 -3.121 1.00 0.29 H new ATOM 1229 N GLU A 78 13.984 -5.739 0.388 1.00 0.24 N ATOM 1230 CA GLU A 78 14.059 -6.569 1.622 1.00 0.39 C ATOM 1231 C GLU A 78 15.110 -7.722 1.540 1.00 0.30 C ATOM 1232 O GLU A 78 15.812 -7.912 2.508 1.00 0.30 O ATOM 1233 CB GLU A 78 12.632 -7.093 1.953 1.00 0.52 C ATOM 1234 CG GLU A 78 12.312 -6.556 3.432 1.00 1.54 C ATOM 1235 CD GLU A 78 13.144 -7.288 4.525 1.00 3.86 C ATOM 1236 OE1 GLU A 78 13.323 -8.471 4.298 1.00 4.63 O ATOM 1237 OE2 GLU A 78 13.554 -6.683 5.508 1.00 5.57 O ATOM 0 H GLU A 78 13.092 -5.728 -0.106 1.00 0.24 H new ATOM 0 HA GLU A 78 14.418 -5.939 2.436 1.00 0.39 H new ATOM 0 HB2 GLU A 78 11.901 -6.723 1.234 1.00 0.52 H new ATOM 0 HB3 GLU A 78 12.594 -8.182 1.914 1.00 0.52 H new ATOM 0 HG2 GLU A 78 12.517 -5.487 3.479 1.00 1.54 H new ATOM 0 HG3 GLU A 78 11.250 -6.686 3.640 1.00 1.54 H new ATOM 1244 N GLU A 79 15.260 -8.505 0.489 1.00 0.25 N ATOM 1245 CA GLU A 79 16.327 -9.576 0.509 1.00 0.23 C ATOM 1246 C GLU A 79 17.689 -8.840 0.681 1.00 0.32 C ATOM 1247 O GLU A 79 18.565 -9.285 1.403 1.00 0.46 O ATOM 1248 CB GLU A 79 16.220 -10.399 -0.826 1.00 0.37 C ATOM 1249 CG GLU A 79 17.263 -9.861 -1.744 1.00 2.49 C ATOM 1250 CD GLU A 79 17.553 -10.641 -3.013 1.00 4.14 C ATOM 1251 OE1 GLU A 79 18.049 -11.744 -2.852 1.00 5.07 O ATOM 1252 OE2 GLU A 79 17.275 -10.077 -4.052 1.00 5.38 O ATOM 0 H GLU A 79 14.705 -8.454 -0.365 1.00 0.25 H new ATOM 0 HA GLU A 79 16.218 -10.290 1.326 1.00 0.23 H new ATOM 0 HB2 GLU A 79 16.379 -11.461 -0.640 1.00 0.37 H new ATOM 0 HB3 GLU A 79 15.228 -10.297 -1.265 1.00 0.37 H new ATOM 0 HG2 GLU A 79 16.970 -8.851 -2.030 1.00 2.49 H new ATOM 0 HG3 GLU A 79 18.193 -9.776 -1.182 1.00 2.49 H new ATOM 1259 N LEU A 80 17.839 -7.723 0.008 1.00 0.27 N ATOM 1260 CA LEU A 80 19.114 -6.960 0.131 1.00 0.35 C ATOM 1261 C LEU A 80 19.233 -6.677 1.610 1.00 0.33 C ATOM 1262 O LEU A 80 20.243 -6.974 2.193 1.00 0.31 O ATOM 1263 CB LEU A 80 19.020 -5.663 -0.674 1.00 0.40 C ATOM 1264 CG LEU A 80 19.187 -5.940 -2.161 1.00 0.39 C ATOM 1265 CD1 LEU A 80 19.108 -4.601 -2.894 1.00 0.55 C ATOM 1266 CD2 LEU A 80 20.596 -6.525 -2.425 1.00 0.60 C ATOM 0 H LEU A 80 17.141 -7.314 -0.613 1.00 0.27 H new ATOM 0 HA LEU A 80 19.980 -7.501 -0.252 1.00 0.35 H new ATOM 0 HB2 LEU A 80 18.057 -5.186 -0.494 1.00 0.40 H new ATOM 0 HB3 LEU A 80 19.788 -4.965 -0.340 1.00 0.40 H new ATOM 0 HG LEU A 80 18.419 -6.637 -2.496 1.00 0.39 H new ATOM 0 HD11 LEU A 80 19.224 -4.765 -3.965 1.00 0.55 H new ATOM 0 HD12 LEU A 80 18.141 -4.137 -2.701 1.00 0.55 H new ATOM 0 HD13 LEU A 80 19.902 -3.945 -2.539 1.00 0.55 H new ATOM 0 HD21 LEU A 80 20.714 -6.723 -3.490 1.00 0.60 H new ATOM 0 HD22 LEU A 80 21.353 -5.810 -2.103 1.00 0.60 H new ATOM 0 HD23 LEU A 80 20.714 -7.454 -1.868 1.00 0.60 H new ATOM 1278 N LYS A 81 18.214 -6.105 2.168 1.00 0.40 N ATOM 1279 CA LYS A 81 18.181 -5.775 3.622 1.00 0.43 C ATOM 1280 C LYS A 81 18.600 -6.997 4.456 1.00 0.33 C ATOM 1281 O LYS A 81 19.491 -6.879 5.272 1.00 0.37 O ATOM 1282 CB LYS A 81 16.729 -5.259 3.785 1.00 0.90 C ATOM 1283 CG LYS A 81 16.277 -5.040 5.197 1.00 1.20 C ATOM 1284 CD LYS A 81 15.056 -4.027 5.138 1.00 2.18 C ATOM 1285 CE LYS A 81 14.766 -3.500 6.528 1.00 2.08 C ATOM 1286 NZ LYS A 81 14.486 -4.670 7.410 1.00 2.74 N ATOM 0 H LYS A 81 17.369 -5.841 1.662 1.00 0.40 H new ATOM 0 HA LYS A 81 18.886 -5.025 3.981 1.00 0.43 H new ATOM 0 HB2 LYS A 81 16.633 -4.319 3.241 1.00 0.90 H new ATOM 0 HB3 LYS A 81 16.053 -5.972 3.312 1.00 0.90 H new ATOM 0 HG2 LYS A 81 15.976 -5.981 5.657 1.00 1.20 H new ATOM 0 HG3 LYS A 81 17.087 -4.634 5.803 1.00 1.20 H new ATOM 0 HD2 LYS A 81 15.288 -3.201 4.466 1.00 2.18 H new ATOM 0 HD3 LYS A 81 14.175 -4.527 4.736 1.00 2.18 H new ATOM 0 HE2 LYS A 81 15.616 -2.931 6.906 1.00 2.08 H new ATOM 0 HE3 LYS A 81 13.912 -2.823 6.509 1.00 2.08 H new ATOM 0 HZ1 LYS A 81 13.980 -4.350 8.260 1.00 2.74 H new ATOM 0 HZ2 LYS A 81 13.900 -5.359 6.897 1.00 2.74 H new ATOM 0 HZ3 LYS A 81 15.383 -5.117 7.688 1.00 2.74 H new ATOM 1300 N LYS A 82 17.964 -8.117 4.232 1.00 0.34 N ATOM 1301 CA LYS A 82 18.303 -9.370 4.977 1.00 0.37 C ATOM 1302 C LYS A 82 19.804 -9.709 4.876 1.00 0.28 C ATOM 1303 O LYS A 82 20.431 -10.117 5.828 1.00 0.37 O ATOM 1304 CB LYS A 82 17.526 -10.586 4.418 1.00 0.41 C ATOM 1305 CG LYS A 82 15.997 -10.414 4.519 1.00 0.51 C ATOM 1306 CD LYS A 82 15.364 -11.674 3.853 1.00 0.58 C ATOM 1307 CE LYS A 82 13.880 -11.474 3.590 1.00 0.63 C ATOM 1308 NZ LYS A 82 13.744 -10.457 2.503 1.00 2.35 N ATOM 0 H LYS A 82 17.210 -8.220 3.552 1.00 0.34 H new ATOM 0 HA LYS A 82 18.028 -9.181 6.015 1.00 0.37 H new ATOM 0 HB2 LYS A 82 17.802 -10.740 3.375 1.00 0.41 H new ATOM 0 HB3 LYS A 82 17.823 -11.483 4.962 1.00 0.41 H new ATOM 0 HG2 LYS A 82 15.684 -10.327 5.560 1.00 0.51 H new ATOM 0 HG3 LYS A 82 15.675 -9.504 4.012 1.00 0.51 H new ATOM 0 HD2 LYS A 82 15.876 -11.888 2.915 1.00 0.58 H new ATOM 0 HD3 LYS A 82 15.507 -12.540 4.499 1.00 0.58 H new ATOM 0 HE2 LYS A 82 13.414 -12.414 3.295 1.00 0.63 H new ATOM 0 HE3 LYS A 82 13.373 -11.137 4.494 1.00 0.63 H new ATOM 0 HZ1 LYS A 82 12.797 -10.527 2.079 1.00 2.35 H new ATOM 0 HZ2 LYS A 82 13.876 -9.505 2.900 1.00 2.35 H new ATOM 0 HZ3 LYS A 82 14.464 -10.631 1.773 1.00 2.35 H new ATOM 1322 N LYS A 83 20.291 -9.525 3.682 1.00 0.18 N ATOM 1323 CA LYS A 83 21.723 -9.777 3.296 1.00 0.16 C ATOM 1324 C LYS A 83 22.720 -8.763 3.871 1.00 0.21 C ATOM 1325 O LYS A 83 23.752 -9.129 4.387 1.00 0.29 O ATOM 1326 CB LYS A 83 21.858 -9.733 1.765 1.00 0.23 C ATOM 1327 CG LYS A 83 21.185 -10.893 1.035 1.00 0.27 C ATOM 1328 CD LYS A 83 20.983 -10.379 -0.426 1.00 0.50 C ATOM 1329 CE LYS A 83 20.928 -11.462 -1.501 1.00 0.87 C ATOM 1330 NZ LYS A 83 20.035 -12.560 -1.048 1.00 2.04 N ATOM 0 H LYS A 83 19.722 -9.189 2.905 1.00 0.18 H new ATOM 0 HA LYS A 83 21.967 -10.755 3.711 1.00 0.16 H new ATOM 0 HB2 LYS A 83 21.433 -8.797 1.402 1.00 0.23 H new ATOM 0 HB3 LYS A 83 22.917 -9.723 1.507 1.00 0.23 H new ATOM 0 HG2 LYS A 83 21.806 -11.788 1.057 1.00 0.27 H new ATOM 0 HG3 LYS A 83 20.233 -11.153 1.498 1.00 0.27 H new ATOM 0 HD2 LYS A 83 20.058 -9.804 -0.466 1.00 0.50 H new ATOM 0 HD3 LYS A 83 21.795 -9.693 -0.667 1.00 0.50 H new ATOM 0 HE2 LYS A 83 20.561 -11.042 -2.438 1.00 0.87 H new ATOM 0 HE3 LYS A 83 21.928 -11.848 -1.695 1.00 0.87 H new ATOM 0 HZ1 LYS A 83 20.591 -13.429 -0.919 1.00 2.04 H new ATOM 0 HZ2 LYS A 83 19.591 -12.296 -0.145 1.00 2.04 H new ATOM 0 HZ3 LYS A 83 19.297 -12.724 -1.762 1.00 2.04 H new ATOM 1344 N TYR A 84 22.385 -7.516 3.748 1.00 0.27 N ATOM 1345 CA TYR A 84 23.235 -6.398 4.242 1.00 0.47 C ATOM 1346 C TYR A 84 23.067 -5.920 5.693 1.00 0.74 C ATOM 1347 O TYR A 84 23.999 -5.316 6.195 1.00 2.16 O ATOM 1348 CB TYR A 84 23.016 -5.289 3.183 1.00 0.54 C ATOM 1349 CG TYR A 84 23.727 -5.842 1.931 1.00 0.27 C ATOM 1350 CD1 TYR A 84 25.104 -5.791 1.890 1.00 2.33 C ATOM 1351 CD2 TYR A 84 23.049 -6.417 0.865 1.00 2.39 C ATOM 1352 CE1 TYR A 84 25.785 -6.303 0.817 1.00 2.61 C ATOM 1353 CE2 TYR A 84 23.737 -6.936 -0.218 1.00 2.09 C ATOM 1354 CZ TYR A 84 25.117 -6.872 -0.230 1.00 0.47 C ATOM 1355 OH TYR A 84 25.891 -7.354 -1.259 1.00 0.88 O ATOM 0 H TYR A 84 21.518 -7.210 3.306 1.00 0.27 H new ATOM 0 HA TYR A 84 24.265 -6.744 4.331 1.00 0.47 H new ATOM 0 HB2 TYR A 84 21.956 -5.114 2.998 1.00 0.54 H new ATOM 0 HB3 TYR A 84 23.445 -4.339 3.502 1.00 0.54 H new ATOM 0 HD1 TYR A 84 25.649 -5.345 2.709 1.00 2.33 H new ATOM 0 HD2 TYR A 84 21.970 -6.460 0.881 1.00 2.39 H new ATOM 0 HE1 TYR A 84 26.864 -6.256 0.799 1.00 2.61 H new ATOM 0 HE2 TYR A 84 23.203 -7.385 -1.042 1.00 2.09 H new ATOM 0 HH TYR A 84 25.350 -7.940 -1.829 1.00 0.88 H new ATOM 1365 N GLY A 85 21.945 -6.146 6.341 1.00 0.47 N ATOM 1366 CA GLY A 85 21.830 -5.683 7.788 1.00 0.69 C ATOM 1367 C GLY A 85 20.905 -4.592 8.308 1.00 0.75 C ATOM 1368 O GLY A 85 21.242 -3.972 9.300 1.00 1.32 O ATOM 0 H GLY A 85 21.124 -6.614 5.957 1.00 0.47 H new ATOM 0 HA2 GLY A 85 21.585 -6.575 8.364 1.00 0.69 H new ATOM 0 HA3 GLY A 85 22.835 -5.381 8.081 1.00 0.69 H new ATOM 1372 N ILE A 86 19.797 -4.368 7.660 1.00 0.90 N ATOM 1373 CA ILE A 86 18.820 -3.327 8.110 1.00 1.67 C ATOM 1374 C ILE A 86 17.400 -3.983 8.344 1.00 2.60 C ATOM 1375 O ILE A 86 16.512 -3.327 8.851 1.00 1.78 O ATOM 1376 CB ILE A 86 18.925 -2.200 6.971 1.00 1.09 C ATOM 1377 CG1 ILE A 86 18.047 -0.987 7.345 1.00 1.51 C ATOM 1378 CG2 ILE A 86 18.524 -2.720 5.586 1.00 0.65 C ATOM 1379 CD1 ILE A 86 17.979 0.122 6.212 1.00 1.26 C ATOM 1380 OXT ILE A 86 17.202 -5.148 8.022 1.00 4.84 O ATOM 0 H ILE A 86 19.518 -4.872 6.818 1.00 0.90 H new ATOM 0 HA ILE A 86 19.022 -2.868 9.078 1.00 1.67 H new ATOM 0 HB ILE A 86 19.972 -1.902 6.915 1.00 1.09 H new ATOM 0 HG12 ILE A 86 17.037 -1.334 7.563 1.00 1.51 H new ATOM 0 HG13 ILE A 86 18.434 -0.537 8.259 1.00 1.51 H new ATOM 0 HG21 ILE A 86 18.614 -1.916 4.855 1.00 0.65 H new ATOM 0 HG22 ILE A 86 19.180 -3.543 5.302 1.00 0.65 H new ATOM 0 HG23 ILE A 86 17.492 -3.071 5.614 1.00 0.65 H new ATOM 0 HD11 ILE A 86 17.345 0.944 6.545 1.00 1.26 H new ATOM 0 HD12 ILE A 86 18.982 0.497 6.009 1.00 1.26 H new ATOM 0 HD13 ILE A 86 17.563 -0.312 5.303 1.00 1.26 H new TER 1392 ILE A 86 HETATM 1393 N1A COA A 87 16.239 2.811 -7.055 1.00 0.66 N HETATM 1394 C2A COA A 87 16.999 2.396 -8.073 1.00 0.64 C HETATM 1395 N3A COA A 87 17.715 3.151 -8.911 1.00 0.88 N HETATM 1396 C4A COA A 87 17.615 4.477 -8.638 1.00 1.16 C HETATM 1397 C5A COA A 87 16.888 5.049 -7.636 1.00 1.20 C HETATM 1398 C6A COA A 87 16.173 4.143 -6.822 1.00 0.94 C HETATM 1399 N6A COA A 87 15.429 4.578 -5.823 1.00 1.05 N HETATM 1400 N7A COA A 87 17.036 6.432 -7.651 1.00 1.52 N HETATM 1401 C8A COA A 87 17.851 6.636 -8.659 1.00 1.66 C HETATM 1402 N9A COA A 87 18.233 5.493 -9.298 1.00 1.47 N HETATM 1403 C1B COA A 87 19.124 5.309 -10.450 1.00 1.61 C HETATM 1404 C2B COA A 87 19.445 6.562 -11.275 1.00 1.35 C HETATM 1405 O2B COA A 87 18.562 6.645 -12.410 1.00 1.44 O HETATM 1406 C3B COA A 87 20.863 6.220 -11.708 1.00 1.42 C HETATM 1407 O3B COA A 87 20.873 5.203 -12.741 1.00 1.64 O HETATM 1408 P3B COA A 87 20.931 5.482 -14.315 1.00 1.50 P HETATM 1409 O7A COA A 87 20.786 4.102 -14.806 1.00 1.96 O HETATM 1410 O8A COA A 87 22.290 6.011 -14.526 1.00 1.54 O HETATM 1411 O9A COA A 87 19.764 6.318 -14.640 1.00 2.70 O HETATM 1412 C4B COA A 87 21.401 5.593 -10.408 1.00 1.60 C HETATM 1413 O4B COA A 87 20.323 4.849 -9.851 1.00 1.77 O HETATM 1414 C5B COA A 87 21.848 6.617 -9.320 1.00 1.48 C HETATM 1415 O5B COA A 87 20.827 7.601 -9.036 1.00 1.46 O HETATM 1416 P1A COA A 87 21.103 9.182 -8.869 1.00 2.00 P HETATM 1417 O1A COA A 87 19.816 9.912 -8.809 1.00 2.34 O HETATM 1418 O2A COA A 87 22.083 9.555 -9.911 1.00 2.33 O HETATM 1419 O3A COA A 87 21.779 9.290 -7.478 1.00 1.86 O HETATM 1420 P2A COA A 87 20.802 8.825 -6.340 1.00 2.53 P HETATM 1421 O4A COA A 87 20.716 9.852 -5.290 1.00 2.48 O HETATM 1422 O5A COA A 87 19.566 8.150 -6.793 1.00 3.49 O HETATM 1423 O6A COA A 87 21.638 7.589 -5.714 1.00 3.13 O HETATM 1424 CBP COA A 87 23.671 6.477 -4.701 1.00 1.58 C HETATM 1425 CCP COA A 87 22.778 7.752 -4.840 1.00 2.05 C HETATM 1426 CDP COA A 87 24.318 6.203 -6.065 1.00 1.68 C HETATM 1427 CEP COA A 87 22.748 5.279 -4.379 1.00 1.38 C HETATM 1428 CAP COA A 87 24.768 6.663 -3.545 1.00 1.19 C HETATM 1429 OAP COA A 87 25.590 7.753 -3.976 1.00 1.44 O HETATM 1430 C9P COA A 87 24.018 6.889 -2.207 1.00 1.40 C HETATM 1431 O9P COA A 87 23.927 7.992 -1.700 1.00 1.82 O HETATM 1432 N8P COA A 87 23.479 5.807 -1.720 1.00 1.36 N HETATM 1433 C7P COA A 87 22.710 5.754 -0.456 1.00 1.95 C HETATM 1434 C6P COA A 87 23.581 6.353 0.671 1.00 2.60 C HETATM 1435 C5P COA A 87 24.893 5.594 0.707 1.00 2.47 C HETATM 1436 O5P COA A 87 25.948 6.149 0.476 1.00 3.65 O HETATM 1437 N4P COA A 87 24.770 4.325 0.987 1.00 2.28 N HETATM 1438 C3P COA A 87 25.959 3.430 1.057 1.00 2.74 C HETATM 1439 C2P COA A 87 26.024 2.717 -0.294 1.00 2.80 C HETATM 1440 S1P COA A 87 24.543 1.841 -0.866 1.00 4.10 S HETATM 0 HO2A COA A 87 19.080 6.865 -13.212 1.00 1.44 H new HETATM 0 H62A COA A 87 15.366 5.578 -5.631 1.00 1.05 H new HETATM 0 H61A COA A 87 14.916 3.914 -5.242 1.00 1.05 H new HETATM 0 H52A COA A 87 22.099 6.083 -8.404 1.00 1.48 H new HETATM 0 H51A COA A 87 22.754 7.123 -9.652 1.00 1.48 H new HETATM 0 H143 COA A 87 22.217 5.469 -3.446 1.00 1.38 H new HETATM 0 H142 COA A 87 22.028 5.147 -5.186 1.00 1.38 H new HETATM 0 H141 COA A 87 23.348 4.375 -4.277 1.00 1.38 H new HETATM 0 H133 COA A 87 23.540 6.039 -6.810 1.00 1.68 H new HETATM 0 H132 COA A 87 24.926 7.059 -6.358 1.00 1.68 H new HETATM 0 H131 COA A 87 24.948 5.316 -5.997 1.00 1.68 H new HETATM 0 H122 COA A 87 23.392 8.572 -5.212 1.00 2.05 H new HETATM 0 H121 COA A 87 22.424 8.043 -3.851 1.00 2.05 H new HETATM 0 HO1 COA A 87 25.415 8.537 -3.415 1.00 1.44 H new HETATM 0 HN8 COA A 87 23.595 4.940 -2.244 1.00 1.36 H new HETATM 0 HN4 COA A 87 23.842 3.939 1.161 1.00 2.28 H new HETATM 0 H8A COA A 87 18.191 7.627 -8.958 1.00 1.66 H new HETATM 0 H72 COA A 87 21.780 6.314 -0.554 1.00 1.95 H new HETATM 0 H71 COA A 87 22.439 4.725 -0.220 1.00 1.95 H new HETATM 0 H62 COA A 87 23.760 7.413 0.491 1.00 2.60 H new HETATM 0 H61 COA A 87 23.069 6.274 1.630 1.00 2.60 H new HETATM 0 H4B COA A 87 22.284 5.011 -10.672 1.00 1.60 H new HETATM 0 H3B COA A 87 21.416 7.070 -12.108 1.00 1.42 H new HETATM 0 H32 COA A 87 26.868 4.002 1.241 1.00 2.74 H new HETATM 0 H31 COA A 87 25.862 2.714 1.873 1.00 2.74 H new HETATM 0 H2B COA A 87 19.339 7.515 -10.757 1.00 1.35 H new HETATM 0 H2A COA A 87 17.039 1.319 -8.238 1.00 0.64 H new HETATM 0 H22 COA A 87 26.287 3.457 -1.050 1.00 2.80 H new HETATM 0 H21 COA A 87 26.842 1.998 -0.253 1.00 2.80 H new HETATM 0 H1B COA A 87 18.643 4.646 -11.169 1.00 1.61 H new HETATM 0 H10 COA A 87 25.414 5.802 -3.372 1.00 1.19 H new HETATM 1472 C1 PLM A 88 24.366 2.640 -2.483 1.00 1.42 C HETATM 1473 O2 PLM A 88 24.792 3.742 -2.762 1.00 0.19 O HETATM 1474 C2 PLM A 88 23.638 1.837 -3.547 1.00 0.94 C HETATM 1475 C3 PLM A 88 22.322 1.212 -2.998 1.00 1.02 C HETATM 1476 C4 PLM A 88 21.460 0.512 -4.178 1.00 0.65 C HETATM 1477 C5 PLM A 88 21.687 1.077 -5.566 1.00 0.34 C HETATM 1478 C6 PLM A 88 20.836 2.291 -5.839 1.00 2.04 C HETATM 1479 C7 PLM A 88 20.980 2.604 -7.346 1.00 1.95 C HETATM 1480 C8 PLM A 88 22.185 3.530 -7.709 1.00 3.07 C HETATM 1481 C9 PLM A 88 23.625 2.963 -7.580 1.00 1.89 C HETATM 1482 CA PLM A 88 23.899 1.720 -8.494 1.00 1.45 C HETATM 1483 CB PLM A 88 23.589 2.040 -9.982 1.00 1.64 C HETATM 1484 CC PLM A 88 24.171 0.947 -10.937 1.00 1.34 C HETATM 1485 CD PLM A 88 23.945 -0.480 -10.363 1.00 0.92 C HETATM 1486 CE PLM A 88 24.246 -1.561 -11.349 1.00 0.71 C HETATM 1487 CF PLM A 88 25.761 -1.605 -11.661 1.00 0.77 C HETATM 1488 CG PLM A 88 26.064 -2.904 -12.345 1.00 0.72 C HETATM 0 HG3 PLM A 88 25.794 -3.732 -11.690 1.00 0.72 H new HETATM 0 HG2 PLM A 88 25.490 -2.971 -13.269 1.00 0.72 H new HETATM 0 HG1 PLM A 88 27.128 -2.955 -12.574 1.00 0.72 H new HETATM 0 HF2 PLM A 88 26.042 -0.766 -12.298 1.00 0.77 H new HETATM 0 HF1 PLM A 88 26.341 -1.516 -10.742 1.00 0.77 H new HETATM 0 HE2 PLM A 88 23.923 -2.523 -10.952 1.00 0.71 H new HETATM 0 HE1 PLM A 88 23.685 -1.390 -12.267 1.00 0.71 H new HETATM 0 HD2 PLM A 88 24.572 -0.615 -9.482 1.00 0.92 H new HETATM 0 HD1 PLM A 88 22.910 -0.574 -10.034 1.00 0.92 H new HETATM 0 HC2 PLM A 88 23.699 1.027 -11.916 1.00 1.34 H new HETATM 0 HC1 PLM A 88 25.238 1.118 -11.083 1.00 1.34 H new HETATM 0 HB2 PLM A 88 22.510 2.111 -10.123 1.00 1.64 H new HETATM 0 HB1 PLM A 88 24.009 3.012 -10.241 1.00 1.64 H new HETATM 0 HA2 PLM A 88 24.940 1.414 -8.394 1.00 1.45 H new HETATM 0 HA1 PLM A 88 23.287 0.880 -8.164 1.00 1.45 H new HETATM 0 H92 PLM A 88 24.339 3.749 -7.828 1.00 1.89 H new HETATM 0 H91 PLM A 88 23.805 2.685 -6.541 1.00 1.89 H new HETATM 0 H82 PLM A 88 22.050 3.859 -8.739 1.00 3.07 H new HETATM 0 H81 PLM A 88 22.121 4.418 -7.080 1.00 3.07 H new HETATM 0 H72 PLM A 88 21.084 1.665 -7.890 1.00 1.95 H new HETATM 0 H71 PLM A 88 20.060 3.074 -7.695 1.00 1.95 H new HETATM 0 H62 PLM A 88 19.794 2.099 -5.581 1.00 2.04 H new HETATM 0 H61 PLM A 88 21.163 3.137 -5.235 1.00 2.04 H new HETATM 0 H52 PLM A 88 22.738 1.341 -5.680 1.00 0.34 H new HETATM 0 H51 PLM A 88 21.468 0.309 -6.308 1.00 0.34 H new HETATM 0 H42 PLM A 88 21.694 -0.553 -4.194 1.00 0.65 H new HETATM 0 H41 PLM A 88 20.401 0.602 -3.935 1.00 0.65 H new HETATM 0 H32 PLM A 88 22.560 0.473 -2.233 1.00 1.02 H new HETATM 0 H31 PLM A 88 21.723 1.986 -2.518 1.00 1.02 H new HETATM 0 H22 PLM A 88 23.408 2.482 -4.395 1.00 0.94 H new HETATM 0 H21 PLM A 88 24.291 1.045 -3.915 1.00 0.94 H new