USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=30 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 -82:sc= 0.109 USER MOD Set 1.2: A 30 HIS : no HD1:sc= -4.73 X(o=-4.6,f=-4.5) USER MOD Set 2.1: A 28 TYR OH : rot 151:sc= 1.08 USER MOD Set 2.2: A 32 LYS NZ :NH3+ -123:sc= -3.79! (180deg=-4.98!) USER MOD Set 2.3: A 54 LYS NZ :NH3+ 158:sc= 0.0421 (180deg=-2.07!) USER MOD Set 2.4: A 87 COA O2B : rot -137:sc= 1.26 USER MOD Single : A 1 SER N :NH3+ 145:sc= 1.18 (180deg=0.852) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -5.18! C(o=-5.2!,f=-1.6!) USER MOD Single : A 7 LYS NZ :NH3+ -133:sc= 0.552 (180deg=-2.15!) USER MOD Single : A 13 LYS NZ :NH3+ 150:sc= -2.17! (180deg=-4.54!) USER MOD Single : A 14 HIS : no HE2:sc= 0.587 K(o=0.59,f=-5.3!) USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= -0.0186 (180deg=-0.272) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0198 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 171:sc= -2.13! (180deg=-2.25!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -9.48! C(o=-9.5!,f=-7.6!) USER MOD Single : A 35 THR OG1 : rot -79:sc= 0.693 USER MOD Single : A 40 ASN : amide:sc= 0.971 K(o=0.97,f=-0.015) USER MOD Single : A 41 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0435) USER MOD Single : A 52 LYS NZ :NH3+ -134:sc= -0.788! (180deg=-4.89!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 62 LYS NZ :NH3+ -124:sc= -1.07 (180deg=-3.37!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 122:sc= 1.02 USER MOD Single : A 66 LYS NZ :NH3+ -107:sc= -2.57! (180deg=-6.16!) USER MOD Single : A 70 MET CE :methyl -122:sc= -2.37 (180deg=-5.81!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0.935 (180deg=0.935) USER MOD Single : A 73 TYR OH : rot 13:sc= 0.916 USER MOD Single : A 76 LYS NZ :NH3+ 156:sc= 0.017 (180deg=-1.95!) USER MOD Single : A 81 LYS NZ :NH3+ -122:sc= 1.04 (180deg=-0.0738) USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= -1.54! (180deg=-3.34!) USER MOD Single : A 83 LYS NZ :NH3+ -139:sc= -1.43 (180deg=-3.12!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0.667 USER MOD Single : A 87 COA OAP : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.588 3.605 -8.984 1.00 1.13 N ATOM 2 CA SER A 1 1.901 3.397 -8.306 1.00 2.29 C ATOM 3 C SER A 1 1.584 2.895 -6.900 1.00 1.72 C ATOM 4 O SER A 1 0.429 2.888 -6.521 1.00 2.39 O ATOM 5 CB SER A 1 2.719 4.722 -8.181 1.00 3.42 C ATOM 6 OG SER A 1 2.008 5.490 -7.209 1.00 2.75 O ATOM 0 H1 SER A 1 0.651 4.426 -9.619 1.00 1.13 H new ATOM 0 H2 SER A 1 0.344 2.758 -9.536 1.00 1.13 H new ATOM 0 H3 SER A 1 -0.148 3.776 -8.270 1.00 1.13 H new ATOM 0 HA SER A 1 2.501 2.697 -8.888 1.00 2.29 H new ATOM 0 HB2 SER A 1 3.743 4.528 -7.862 1.00 3.42 H new ATOM 0 HB3 SER A 1 2.776 5.245 -9.136 1.00 3.42 H new ATOM 0 HG SER A 1 2.464 6.346 -7.071 1.00 2.75 H new ATOM 14 N GLN A 2 2.581 2.491 -6.164 1.00 0.96 N ATOM 15 CA GLN A 2 2.340 1.993 -4.783 1.00 0.47 C ATOM 16 C GLN A 2 3.435 2.535 -3.832 1.00 0.53 C ATOM 17 O GLN A 2 4.341 1.803 -3.503 1.00 0.51 O ATOM 18 CB GLN A 2 2.340 0.454 -4.863 1.00 0.61 C ATOM 19 CG GLN A 2 2.059 -0.125 -3.446 1.00 1.07 C ATOM 20 CD GLN A 2 2.921 -1.350 -3.242 1.00 1.62 C ATOM 21 OE1 GLN A 2 2.530 -2.474 -3.454 1.00 2.31 O ATOM 22 NE2 GLN A 2 4.133 -1.178 -2.832 1.00 1.45 N ATOM 0 H GLN A 2 3.557 2.485 -6.462 1.00 0.96 H new ATOM 0 HA GLN A 2 1.387 2.337 -4.382 1.00 0.47 H new ATOM 0 HB2 GLN A 2 1.581 0.113 -5.567 1.00 0.61 H new ATOM 0 HB3 GLN A 2 3.301 0.096 -5.233 1.00 0.61 H new ATOM 0 HG2 GLN A 2 2.277 0.622 -2.683 1.00 1.07 H new ATOM 0 HG3 GLN A 2 1.005 -0.384 -3.346 1.00 1.07 H new ATOM 0 HE21 GLN A 2 4.480 -0.237 -2.648 1.00 1.45 H new ATOM 0 HE22 GLN A 2 4.743 -1.983 -2.692 1.00 1.45 H new ATOM 31 N ALA A 3 3.334 3.777 -3.419 1.00 0.72 N ATOM 32 CA ALA A 3 4.320 4.463 -2.486 1.00 0.85 C ATOM 33 C ALA A 3 5.316 3.577 -1.673 1.00 0.81 C ATOM 34 O ALA A 3 6.470 3.914 -1.510 1.00 0.80 O ATOM 35 CB ALA A 3 3.499 5.321 -1.512 1.00 1.06 C ATOM 0 H ALA A 3 2.566 4.386 -3.703 1.00 0.72 H new ATOM 0 HA ALA A 3 4.983 5.023 -3.145 1.00 0.85 H new ATOM 0 HB1 ALA A 3 4.171 5.832 -0.822 1.00 1.06 H new ATOM 0 HB2 ALA A 3 2.924 6.058 -2.072 1.00 1.06 H new ATOM 0 HB3 ALA A 3 2.819 4.682 -0.949 1.00 1.06 H new ATOM 41 N GLU A 4 4.857 2.457 -1.185 1.00 0.83 N ATOM 42 CA GLU A 4 5.736 1.569 -0.406 1.00 0.97 C ATOM 43 C GLU A 4 7.023 1.303 -1.198 1.00 0.75 C ATOM 44 O GLU A 4 8.088 1.073 -0.663 1.00 0.63 O ATOM 45 CB GLU A 4 4.864 0.348 -0.092 1.00 1.16 C ATOM 46 CG GLU A 4 3.481 0.784 0.545 1.00 1.55 C ATOM 47 CD GLU A 4 3.655 2.030 1.437 1.00 4.34 C ATOM 48 OE1 GLU A 4 4.606 2.045 2.206 1.00 5.10 O ATOM 49 OE2 GLU A 4 2.816 2.901 1.287 1.00 5.98 O ATOM 0 H GLU A 4 3.900 2.124 -1.299 1.00 0.83 H new ATOM 0 HA GLU A 4 6.102 1.980 0.535 1.00 0.97 H new ATOM 0 HB2 GLU A 4 4.685 -0.219 -1.005 1.00 1.16 H new ATOM 0 HB3 GLU A 4 5.392 -0.313 0.595 1.00 1.16 H new ATOM 0 HG2 GLU A 4 2.762 0.996 -0.246 1.00 1.55 H new ATOM 0 HG3 GLU A 4 3.073 -0.037 1.135 1.00 1.55 H new ATOM 56 N PHE A 5 6.839 1.376 -2.476 1.00 0.72 N ATOM 57 CA PHE A 5 7.903 1.185 -3.483 1.00 0.56 C ATOM 58 C PHE A 5 8.929 2.334 -3.349 1.00 0.58 C ATOM 59 O PHE A 5 10.123 2.129 -3.371 1.00 0.55 O ATOM 60 CB PHE A 5 7.188 1.200 -4.778 1.00 0.68 C ATOM 61 CG PHE A 5 8.208 1.450 -5.890 1.00 0.48 C ATOM 62 CD1 PHE A 5 8.958 0.410 -6.387 1.00 2.22 C ATOM 63 CD2 PHE A 5 8.398 2.719 -6.387 1.00 2.53 C ATOM 64 CE1 PHE A 5 9.894 0.630 -7.375 1.00 2.44 C ATOM 65 CE2 PHE A 5 9.330 2.944 -7.371 1.00 2.30 C ATOM 66 CZ PHE A 5 10.079 1.902 -7.866 1.00 0.37 C ATOM 0 H PHE A 5 5.928 1.575 -2.889 1.00 0.72 H new ATOM 0 HA PHE A 5 8.469 0.260 -3.371 1.00 0.56 H new ATOM 0 HB2 PHE A 5 6.676 0.251 -4.939 1.00 0.68 H new ATOM 0 HB3 PHE A 5 6.425 1.979 -4.781 1.00 0.68 H new ATOM 0 HD1 PHE A 5 8.813 -0.588 -6.000 1.00 2.22 H new ATOM 0 HD2 PHE A 5 7.812 3.541 -6.002 1.00 2.53 H new ATOM 0 HE1 PHE A 5 10.479 -0.192 -7.761 1.00 2.44 H new ATOM 0 HE2 PHE A 5 9.475 3.942 -7.757 1.00 2.30 H new ATOM 0 HZ PHE A 5 10.811 2.082 -8.639 1.00 0.37 H new ATOM 76 N ASP A 6 8.426 3.526 -3.213 1.00 0.85 N ATOM 77 CA ASP A 6 9.268 4.736 -3.066 1.00 1.02 C ATOM 78 C ASP A 6 9.953 4.689 -1.713 1.00 0.88 C ATOM 79 O ASP A 6 11.112 4.994 -1.493 1.00 1.06 O ATOM 80 CB ASP A 6 8.300 5.860 -3.234 1.00 1.28 C ATOM 81 CG ASP A 6 7.911 5.888 -4.694 1.00 1.90 C ATOM 82 OD1 ASP A 6 8.785 6.244 -5.465 1.00 4.10 O ATOM 83 OD2 ASP A 6 6.769 5.530 -4.930 1.00 0.91 O ATOM 0 H ASP A 6 7.424 3.715 -3.198 1.00 0.85 H new ATOM 0 HA ASP A 6 10.079 4.837 -3.787 1.00 1.02 H new ATOM 0 HB2 ASP A 6 7.423 5.712 -2.603 1.00 1.28 H new ATOM 0 HB3 ASP A 6 8.751 6.806 -2.936 1.00 1.28 H new ATOM 88 N LYS A 7 9.160 4.266 -0.792 1.00 0.62 N ATOM 89 CA LYS A 7 9.657 4.140 0.604 1.00 0.56 C ATOM 90 C LYS A 7 10.835 3.164 0.485 1.00 0.50 C ATOM 91 O LYS A 7 11.889 3.443 1.016 1.00 0.53 O ATOM 92 CB LYS A 7 8.565 3.551 1.513 1.00 0.54 C ATOM 93 CG LYS A 7 9.090 3.562 2.957 1.00 0.72 C ATOM 94 CD LYS A 7 9.069 5.033 3.456 1.00 1.07 C ATOM 95 CE LYS A 7 10.054 5.221 4.564 1.00 1.41 C ATOM 96 NZ LYS A 7 11.393 4.972 3.961 1.00 3.35 N ATOM 0 H LYS A 7 8.186 3.999 -0.935 1.00 0.62 H new ATOM 0 HA LYS A 7 9.940 5.098 1.040 1.00 0.56 H new ATOM 0 HB2 LYS A 7 7.649 4.137 1.436 1.00 0.54 H new ATOM 0 HB3 LYS A 7 8.320 2.535 1.205 1.00 0.54 H new ATOM 0 HG2 LYS A 7 8.469 2.933 3.595 1.00 0.72 H new ATOM 0 HG3 LYS A 7 10.102 3.158 2.999 1.00 0.72 H new ATOM 0 HD2 LYS A 7 9.306 5.707 2.632 1.00 1.07 H new ATOM 0 HD3 LYS A 7 8.068 5.292 3.802 1.00 1.07 H new ATOM 0 HE2 LYS A 7 9.992 6.228 4.976 1.00 1.41 H new ATOM 0 HE3 LYS A 7 9.859 4.529 5.383 1.00 1.41 H new ATOM 0 HZ1 LYS A 7 11.939 4.337 4.578 1.00 3.35 H new ATOM 0 HZ2 LYS A 7 11.276 4.530 3.027 1.00 3.35 H new ATOM 0 HZ3 LYS A 7 11.900 5.874 3.857 1.00 3.35 H new ATOM 110 N ALA A 8 10.600 2.072 -0.212 1.00 0.39 N ATOM 111 CA ALA A 8 11.646 1.030 -0.427 1.00 0.30 C ATOM 112 C ALA A 8 12.818 1.813 -1.085 1.00 0.26 C ATOM 113 O ALA A 8 13.938 1.713 -0.641 1.00 0.29 O ATOM 114 CB ALA A 8 11.005 -0.072 -1.338 1.00 0.22 C ATOM 0 H ALA A 8 9.703 1.861 -0.649 1.00 0.39 H new ATOM 0 HA ALA A 8 12.014 0.516 0.461 1.00 0.30 H new ATOM 0 HB1 ALA A 8 11.735 -0.860 -1.524 1.00 0.22 H new ATOM 0 HB2 ALA A 8 10.134 -0.495 -0.838 1.00 0.22 H new ATOM 0 HB3 ALA A 8 10.700 0.372 -2.286 1.00 0.22 H new ATOM 120 N ALA A 9 12.553 2.568 -2.123 1.00 0.23 N ATOM 121 CA ALA A 9 13.629 3.373 -2.801 1.00 0.17 C ATOM 122 C ALA A 9 14.468 4.121 -1.739 1.00 0.20 C ATOM 123 O ALA A 9 15.685 4.054 -1.777 1.00 0.22 O ATOM 124 CB ALA A 9 12.961 4.368 -3.773 1.00 0.17 C ATOM 0 H ALA A 9 11.626 2.665 -2.538 1.00 0.23 H new ATOM 0 HA ALA A 9 14.297 2.718 -3.361 1.00 0.17 H new ATOM 0 HB1 ALA A 9 13.728 4.959 -4.273 1.00 0.17 H new ATOM 0 HB2 ALA A 9 12.385 3.818 -4.517 1.00 0.17 H new ATOM 0 HB3 ALA A 9 12.297 5.030 -3.217 1.00 0.17 H new ATOM 130 N GLU A 10 13.826 4.811 -0.822 1.00 0.26 N ATOM 131 CA GLU A 10 14.600 5.539 0.233 1.00 0.38 C ATOM 132 C GLU A 10 15.413 4.494 0.973 1.00 0.39 C ATOM 133 O GLU A 10 16.633 4.540 0.957 1.00 0.51 O ATOM 134 CB GLU A 10 13.675 6.228 1.289 1.00 0.48 C ATOM 135 CG GLU A 10 12.808 7.420 0.767 1.00 0.44 C ATOM 136 CD GLU A 10 11.837 7.971 1.846 1.00 0.66 C ATOM 137 OE1 GLU A 10 11.766 7.382 2.921 1.00 1.02 O ATOM 138 OE2 GLU A 10 11.205 8.962 1.524 1.00 0.53 O ATOM 0 H GLU A 10 12.812 4.900 -0.760 1.00 0.26 H new ATOM 0 HA GLU A 10 15.201 6.310 -0.249 1.00 0.38 H new ATOM 0 HB2 GLU A 10 13.007 5.474 1.705 1.00 0.48 H new ATOM 0 HB3 GLU A 10 14.298 6.589 2.108 1.00 0.48 H new ATOM 0 HG2 GLU A 10 13.465 8.222 0.431 1.00 0.44 H new ATOM 0 HG3 GLU A 10 12.234 7.094 -0.100 1.00 0.44 H new ATOM 145 N GLU A 11 14.685 3.583 1.571 1.00 0.29 N ATOM 146 CA GLU A 11 15.272 2.472 2.379 1.00 0.36 C ATOM 147 C GLU A 11 16.504 1.833 1.709 1.00 0.45 C ATOM 148 O GLU A 11 17.570 1.798 2.287 1.00 0.61 O ATOM 149 CB GLU A 11 14.110 1.460 2.635 1.00 0.36 C ATOM 150 CG GLU A 11 12.957 2.230 3.407 1.00 0.43 C ATOM 151 CD GLU A 11 12.450 1.747 4.783 1.00 0.58 C ATOM 152 OE1 GLU A 11 12.674 0.601 5.128 1.00 0.99 O ATOM 153 OE2 GLU A 11 11.831 2.605 5.404 1.00 0.29 O ATOM 0 H GLU A 11 13.666 3.566 1.529 1.00 0.29 H new ATOM 0 HA GLU A 11 15.665 2.844 3.325 1.00 0.36 H new ATOM 0 HB2 GLU A 11 13.737 1.060 1.692 1.00 0.36 H new ATOM 0 HB3 GLU A 11 14.464 0.613 3.223 1.00 0.36 H new ATOM 0 HG2 GLU A 11 13.293 3.259 3.536 1.00 0.43 H new ATOM 0 HG3 GLU A 11 12.094 2.258 2.742 1.00 0.43 H new ATOM 160 N VAL A 12 16.366 1.360 0.499 1.00 0.34 N ATOM 161 CA VAL A 12 17.495 0.718 -0.244 1.00 0.40 C ATOM 162 C VAL A 12 18.629 1.728 -0.319 1.00 0.49 C ATOM 163 O VAL A 12 19.749 1.409 0.003 1.00 0.58 O ATOM 164 CB VAL A 12 16.939 0.297 -1.649 1.00 0.30 C ATOM 165 CG1 VAL A 12 17.201 1.320 -2.779 1.00 0.31 C ATOM 166 CG2 VAL A 12 17.580 -1.002 -2.101 1.00 0.24 C ATOM 0 H VAL A 12 15.490 1.393 -0.023 1.00 0.34 H new ATOM 0 HA VAL A 12 17.888 -0.175 0.242 1.00 0.40 H new ATOM 0 HB VAL A 12 15.863 0.213 -1.498 1.00 0.30 H new ATOM 0 HG11 VAL A 12 16.782 0.946 -3.713 1.00 0.31 H new ATOM 0 HG12 VAL A 12 16.731 2.270 -2.526 1.00 0.31 H new ATOM 0 HG13 VAL A 12 18.275 1.466 -2.896 1.00 0.31 H new ATOM 0 HG21 VAL A 12 17.185 -1.282 -3.077 1.00 0.24 H new ATOM 0 HG22 VAL A 12 18.660 -0.870 -2.171 1.00 0.24 H new ATOM 0 HG23 VAL A 12 17.356 -1.788 -1.380 1.00 0.24 H new ATOM 176 N LYS A 13 18.375 2.945 -0.722 1.00 0.49 N ATOM 177 CA LYS A 13 19.478 3.925 -0.789 1.00 0.65 C ATOM 178 C LYS A 13 20.184 4.082 0.588 1.00 0.72 C ATOM 179 O LYS A 13 21.265 4.626 0.663 1.00 0.93 O ATOM 180 CB LYS A 13 18.866 5.217 -1.262 1.00 0.63 C ATOM 181 CG LYS A 13 18.447 5.107 -2.750 1.00 0.69 C ATOM 182 CD LYS A 13 18.907 6.405 -3.447 1.00 1.48 C ATOM 183 CE LYS A 13 18.284 7.645 -2.775 1.00 1.10 C ATOM 184 NZ LYS A 13 19.062 8.799 -3.274 1.00 1.28 N ATOM 0 H LYS A 13 17.458 3.293 -1.003 1.00 0.49 H new ATOM 0 HA LYS A 13 20.257 3.596 -1.476 1.00 0.65 H new ATOM 0 HB2 LYS A 13 17.997 5.460 -0.650 1.00 0.63 H new ATOM 0 HB3 LYS A 13 19.580 6.031 -1.138 1.00 0.63 H new ATOM 0 HG2 LYS A 13 18.907 4.236 -3.216 1.00 0.69 H new ATOM 0 HG3 LYS A 13 17.368 4.984 -2.838 1.00 0.69 H new ATOM 0 HD2 LYS A 13 19.994 6.475 -3.411 1.00 1.48 H new ATOM 0 HD3 LYS A 13 18.624 6.377 -4.499 1.00 1.48 H new ATOM 0 HE2 LYS A 13 17.229 7.742 -3.032 1.00 1.10 H new ATOM 0 HE3 LYS A 13 18.342 7.573 -1.689 1.00 1.10 H new ATOM 0 HZ1 LYS A 13 18.453 9.642 -3.303 1.00 1.28 H new ATOM 0 HZ2 LYS A 13 19.867 8.975 -2.640 1.00 1.28 H new ATOM 0 HZ3 LYS A 13 19.414 8.593 -4.231 1.00 1.28 H new ATOM 198 N HIS A 14 19.552 3.608 1.629 1.00 0.61 N ATOM 199 CA HIS A 14 20.164 3.701 3.005 1.00 0.72 C ATOM 200 C HIS A 14 21.075 2.473 3.302 1.00 0.65 C ATOM 201 O HIS A 14 21.791 2.445 4.285 1.00 0.57 O ATOM 202 CB HIS A 14 19.031 3.810 4.090 1.00 0.84 C ATOM 203 CG HIS A 14 18.375 5.195 4.060 1.00 1.00 C ATOM 204 ND1 HIS A 14 17.464 5.606 3.240 1.00 0.78 N ATOM 205 CD2 HIS A 14 18.605 6.285 4.877 1.00 1.45 C ATOM 206 CE1 HIS A 14 17.151 6.838 3.511 1.00 1.00 C ATOM 207 NE2 HIS A 14 17.840 7.298 4.524 1.00 1.43 N ATOM 0 H HIS A 14 18.637 3.158 1.595 1.00 0.61 H new ATOM 0 HA HIS A 14 20.785 4.596 3.041 1.00 0.72 H new ATOM 0 HB2 HIS A 14 18.277 3.043 3.913 1.00 0.84 H new ATOM 0 HB3 HIS A 14 19.450 3.623 5.079 1.00 0.84 H new ATOM 0 HD1 HIS A 14 17.053 5.047 2.492 1.00 0.78 H new ATOM 0 HD2 HIS A 14 19.313 6.304 5.692 1.00 1.45 H new ATOM 0 HE1 HIS A 14 16.414 7.411 2.968 1.00 1.00 H new ATOM 215 N LEU A 15 21.026 1.471 2.464 1.00 0.69 N ATOM 216 CA LEU A 15 21.871 0.247 2.639 1.00 0.60 C ATOM 217 C LEU A 15 23.317 0.631 3.055 1.00 0.95 C ATOM 218 O LEU A 15 24.021 1.229 2.266 1.00 1.15 O ATOM 219 CB LEU A 15 21.876 -0.487 1.301 1.00 0.33 C ATOM 220 CG LEU A 15 20.584 -1.252 1.058 1.00 0.35 C ATOM 221 CD1 LEU A 15 20.479 -1.523 -0.431 1.00 0.92 C ATOM 222 CD2 LEU A 15 20.741 -2.623 1.691 1.00 0.87 C ATOM 0 H LEU A 15 20.420 1.448 1.644 1.00 0.69 H new ATOM 0 HA LEU A 15 21.468 -0.388 3.428 1.00 0.60 H new ATOM 0 HB2 LEU A 15 22.027 0.232 0.495 1.00 0.33 H new ATOM 0 HB3 LEU A 15 22.717 -1.180 1.272 1.00 0.33 H new ATOM 0 HG LEU A 15 19.733 -0.694 1.448 1.00 0.35 H new ATOM 0 HD11 LEU A 15 19.560 -2.072 -0.637 1.00 0.92 H new ATOM 0 HD12 LEU A 15 20.466 -0.577 -0.973 1.00 0.92 H new ATOM 0 HD13 LEU A 15 21.335 -2.115 -0.754 1.00 0.92 H new ATOM 0 HD21 LEU A 15 19.830 -3.202 1.536 1.00 0.87 H new ATOM 0 HD22 LEU A 15 21.583 -3.141 1.232 1.00 0.87 H new ATOM 0 HD23 LEU A 15 20.923 -2.512 2.760 1.00 0.87 H new ATOM 234 N LYS A 16 23.766 0.326 4.246 1.00 1.17 N ATOM 235 CA LYS A 16 25.178 0.683 4.666 1.00 1.31 C ATOM 236 C LYS A 16 26.303 0.309 3.645 1.00 0.72 C ATOM 237 O LYS A 16 27.480 0.547 3.834 1.00 0.76 O ATOM 238 CB LYS A 16 25.403 -0.005 6.031 1.00 1.74 C ATOM 239 CG LYS A 16 25.355 -1.544 5.863 1.00 4.30 C ATOM 240 CD LYS A 16 25.292 -2.237 7.257 1.00 4.99 C ATOM 241 CE LYS A 16 26.428 -1.794 8.187 1.00 4.37 C ATOM 242 NZ LYS A 16 27.731 -2.067 7.499 1.00 5.89 N ATOM 0 H LYS A 16 23.220 -0.158 4.958 1.00 1.17 H new ATOM 0 HA LYS A 16 25.257 1.769 4.721 1.00 1.31 H new ATOM 0 HB2 LYS A 16 26.366 0.294 6.444 1.00 1.74 H new ATOM 0 HB3 LYS A 16 24.639 0.316 6.739 1.00 1.74 H new ATOM 0 HG2 LYS A 16 24.485 -1.825 5.270 1.00 4.30 H new ATOM 0 HG3 LYS A 16 26.236 -1.885 5.319 1.00 4.30 H new ATOM 0 HD2 LYS A 16 24.334 -2.013 7.727 1.00 4.99 H new ATOM 0 HD3 LYS A 16 25.337 -3.318 7.124 1.00 4.99 H new ATOM 0 HE2 LYS A 16 26.336 -0.733 8.420 1.00 4.37 H new ATOM 0 HE3 LYS A 16 26.377 -2.334 9.133 1.00 4.37 H new ATOM 0 HZ1 LYS A 16 28.508 -2.000 8.187 1.00 5.89 H new ATOM 0 HZ2 LYS A 16 27.713 -3.022 7.088 1.00 5.89 H new ATOM 0 HZ3 LYS A 16 27.878 -1.368 6.743 1.00 5.89 H new ATOM 256 N THR A 17 25.911 -0.294 2.568 1.00 0.48 N ATOM 257 CA THR A 17 26.804 -0.729 1.471 1.00 0.97 C ATOM 258 C THR A 17 25.981 -0.681 0.180 1.00 1.56 C ATOM 259 O THR A 17 24.770 -0.740 0.218 1.00 2.86 O ATOM 260 CB THR A 17 27.267 -2.143 1.799 1.00 1.11 C ATOM 261 OG1 THR A 17 28.201 -1.950 2.851 1.00 1.25 O ATOM 262 CG2 THR A 17 28.118 -2.812 0.727 1.00 1.81 C ATOM 0 H THR A 17 24.931 -0.518 2.395 1.00 0.48 H new ATOM 0 HA THR A 17 27.683 -0.096 1.352 1.00 0.97 H new ATOM 0 HB THR A 17 26.379 -2.751 1.972 1.00 1.11 H new ATOM 0 HG1 THR A 17 28.558 -2.817 3.135 1.00 1.25 H new ATOM 0 HG21 THR A 17 28.396 -3.813 1.056 1.00 1.81 H new ATOM 0 HG22 THR A 17 27.549 -2.880 -0.200 1.00 1.81 H new ATOM 0 HG23 THR A 17 29.019 -2.222 0.557 1.00 1.81 H new ATOM 270 N LYS A 18 26.691 -0.580 -0.901 1.00 0.70 N ATOM 271 CA LYS A 18 26.134 -0.531 -2.271 1.00 1.15 C ATOM 272 C LYS A 18 26.235 -2.054 -2.612 1.00 0.96 C ATOM 273 O LYS A 18 27.333 -2.533 -2.839 1.00 1.00 O ATOM 274 CB LYS A 18 27.084 0.386 -3.123 1.00 1.52 C ATOM 275 CG LYS A 18 28.055 1.270 -2.234 1.00 2.83 C ATOM 276 CD LYS A 18 29.364 0.441 -1.929 1.00 2.53 C ATOM 277 CE LYS A 18 30.195 1.039 -0.769 1.00 3.84 C ATOM 278 NZ LYS A 18 31.378 0.138 -0.535 1.00 2.07 N ATOM 0 H LYS A 18 27.709 -0.526 -0.883 1.00 0.70 H new ATOM 0 HA LYS A 18 25.134 -0.126 -2.429 1.00 1.15 H new ATOM 0 HB2 LYS A 18 27.679 -0.238 -3.790 1.00 1.52 H new ATOM 0 HB3 LYS A 18 26.480 1.040 -3.752 1.00 1.52 H new ATOM 0 HG2 LYS A 18 28.307 2.194 -2.755 1.00 2.83 H new ATOM 0 HG3 LYS A 18 27.562 1.552 -1.304 1.00 2.83 H new ATOM 0 HD2 LYS A 18 29.090 -0.585 -1.682 1.00 2.53 H new ATOM 0 HD3 LYS A 18 29.980 0.399 -2.827 1.00 2.53 H new ATOM 0 HE2 LYS A 18 30.527 2.047 -1.017 1.00 3.84 H new ATOM 0 HE3 LYS A 18 29.589 1.116 0.134 1.00 3.84 H new ATOM 0 HZ1 LYS A 18 31.955 0.518 0.242 1.00 2.07 H new ATOM 0 HZ2 LYS A 18 31.045 -0.815 -0.285 1.00 2.07 H new ATOM 0 HZ3 LYS A 18 31.953 0.088 -1.400 1.00 2.07 H new ATOM 292 N PRO A 19 25.128 -2.773 -2.619 1.00 0.81 N ATOM 293 CA PRO A 19 25.136 -4.238 -2.929 1.00 0.62 C ATOM 294 C PRO A 19 25.963 -4.724 -4.130 1.00 0.60 C ATOM 295 O PRO A 19 26.526 -3.966 -4.894 1.00 0.71 O ATOM 296 CB PRO A 19 23.639 -4.574 -3.057 1.00 0.51 C ATOM 297 CG PRO A 19 23.006 -3.616 -2.028 1.00 0.82 C ATOM 298 CD PRO A 19 23.738 -2.289 -2.335 1.00 0.88 C ATOM 0 HA PRO A 19 25.664 -4.771 -2.139 1.00 0.62 H new ATOM 0 HB2 PRO A 19 23.265 -4.395 -4.065 1.00 0.51 H new ATOM 0 HB3 PRO A 19 23.434 -5.618 -2.822 1.00 0.51 H new ATOM 0 HG2 PRO A 19 21.928 -3.528 -2.161 1.00 0.82 H new ATOM 0 HG3 PRO A 19 23.174 -3.948 -1.003 1.00 0.82 H new ATOM 0 HD2 PRO A 19 23.303 -1.768 -3.188 1.00 0.88 H new ATOM 0 HD3 PRO A 19 23.708 -1.599 -1.491 1.00 0.88 H new ATOM 306 N ALA A 20 26.020 -6.022 -4.264 1.00 0.60 N ATOM 307 CA ALA A 20 26.790 -6.595 -5.412 1.00 0.83 C ATOM 308 C ALA A 20 26.018 -6.232 -6.707 1.00 0.56 C ATOM 309 O ALA A 20 24.843 -5.913 -6.681 1.00 0.59 O ATOM 310 CB ALA A 20 26.886 -8.110 -5.183 1.00 1.06 C ATOM 0 H ALA A 20 25.578 -6.700 -3.644 1.00 0.60 H new ATOM 0 HA ALA A 20 27.803 -6.201 -5.499 1.00 0.83 H new ATOM 0 HB1 ALA A 20 27.442 -8.567 -6.001 1.00 1.06 H new ATOM 0 HB2 ALA A 20 27.400 -8.304 -4.242 1.00 1.06 H new ATOM 0 HB3 ALA A 20 25.884 -8.536 -5.143 1.00 1.06 H new ATOM 316 N ASP A 21 26.684 -6.303 -7.818 1.00 0.30 N ATOM 317 CA ASP A 21 26.015 -5.960 -9.112 1.00 0.16 C ATOM 318 C ASP A 21 24.699 -6.701 -9.282 1.00 0.14 C ATOM 319 O ASP A 21 23.684 -6.053 -9.290 1.00 0.26 O ATOM 320 CB ASP A 21 26.964 -6.302 -10.302 1.00 0.33 C ATOM 321 CG ASP A 21 28.371 -6.489 -9.781 1.00 1.04 C ATOM 322 OD1 ASP A 21 28.606 -7.586 -9.301 1.00 1.93 O ATOM 323 OD2 ASP A 21 29.107 -5.529 -9.873 1.00 1.20 O ATOM 0 H ASP A 21 27.662 -6.583 -7.895 1.00 0.30 H new ATOM 0 HA ASP A 21 25.799 -4.892 -9.101 1.00 0.16 H new ATOM 0 HB2 ASP A 21 26.626 -7.209 -10.803 1.00 0.33 H new ATOM 0 HB3 ASP A 21 26.941 -5.502 -11.042 1.00 0.33 H new ATOM 328 N GLU A 22 24.696 -8.000 -9.406 1.00 0.18 N ATOM 329 CA GLU A 22 23.391 -8.732 -9.578 1.00 0.25 C ATOM 330 C GLU A 22 22.232 -8.145 -8.721 1.00 0.27 C ATOM 331 O GLU A 22 21.164 -7.808 -9.205 1.00 0.69 O ATOM 332 CB GLU A 22 23.596 -10.254 -9.207 1.00 0.26 C ATOM 333 CG GLU A 22 24.468 -11.035 -10.247 1.00 0.61 C ATOM 334 CD GLU A 22 24.663 -12.523 -9.858 1.00 0.83 C ATOM 335 OE1 GLU A 22 23.653 -13.140 -9.553 1.00 0.97 O ATOM 336 OE2 GLU A 22 25.810 -12.953 -9.898 1.00 0.87 O ATOM 0 H GLU A 22 25.529 -8.589 -9.397 1.00 0.18 H new ATOM 0 HA GLU A 22 23.099 -8.616 -10.622 1.00 0.25 H new ATOM 0 HB2 GLU A 22 24.066 -10.321 -8.226 1.00 0.26 H new ATOM 0 HB3 GLU A 22 22.621 -10.735 -9.127 1.00 0.26 H new ATOM 0 HG2 GLU A 22 23.996 -10.978 -11.228 1.00 0.61 H new ATOM 0 HG3 GLU A 22 25.443 -10.554 -10.333 1.00 0.61 H new ATOM 343 N GLU A 23 22.486 -8.019 -7.448 1.00 0.42 N ATOM 344 CA GLU A 23 21.420 -7.466 -6.563 1.00 0.48 C ATOM 345 C GLU A 23 21.154 -6.027 -7.020 1.00 0.50 C ATOM 346 O GLU A 23 19.993 -5.661 -7.154 1.00 0.63 O ATOM 347 CB GLU A 23 21.936 -7.620 -5.106 1.00 0.52 C ATOM 348 CG GLU A 23 21.945 -9.166 -4.757 1.00 0.55 C ATOM 349 CD GLU A 23 20.556 -9.846 -4.812 1.00 2.10 C ATOM 350 OE1 GLU A 23 20.171 -10.173 -5.925 1.00 4.36 O ATOM 351 OE2 GLU A 23 19.924 -10.014 -3.771 1.00 1.39 O ATOM 0 H GLU A 23 23.363 -8.268 -6.990 1.00 0.42 H new ATOM 0 HA GLU A 23 20.461 -7.981 -6.614 1.00 0.48 H new ATOM 0 HB2 GLU A 23 22.937 -7.200 -5.009 1.00 0.52 H new ATOM 0 HB3 GLU A 23 21.294 -7.076 -4.414 1.00 0.52 H new ATOM 0 HG2 GLU A 23 22.613 -9.678 -5.450 1.00 0.55 H new ATOM 0 HG3 GLU A 23 22.360 -9.297 -3.758 1.00 0.55 H new ATOM 358 N MET A 24 22.196 -5.254 -7.230 1.00 0.39 N ATOM 359 CA MET A 24 22.008 -3.844 -7.708 1.00 0.44 C ATOM 360 C MET A 24 21.129 -3.956 -8.990 1.00 0.56 C ATOM 361 O MET A 24 20.037 -3.444 -9.024 1.00 0.87 O ATOM 362 CB MET A 24 23.414 -3.266 -7.984 1.00 0.30 C ATOM 363 CG MET A 24 24.108 -2.852 -6.676 1.00 0.40 C ATOM 364 SD MET A 24 25.678 -1.967 -6.838 1.00 2.13 S ATOM 365 CE MET A 24 25.018 -0.292 -6.689 1.00 1.07 C ATOM 0 H MET A 24 23.166 -5.538 -7.091 1.00 0.39 H new ATOM 0 HA MET A 24 21.517 -3.180 -6.997 1.00 0.44 H new ATOM 0 HB2 MET A 24 24.021 -4.009 -8.502 1.00 0.30 H new ATOM 0 HB3 MET A 24 23.333 -2.403 -8.645 1.00 0.30 H new ATOM 0 HG2 MET A 24 23.420 -2.225 -6.109 1.00 0.40 H new ATOM 0 HG3 MET A 24 24.283 -3.750 -6.084 1.00 0.40 H new ATOM 0 HE1 MET A 24 25.841 0.417 -6.602 1.00 1.07 H new ATOM 0 HE2 MET A 24 24.426 -0.054 -7.573 1.00 1.07 H new ATOM 0 HE3 MET A 24 24.388 -0.227 -5.802 1.00 1.07 H new ATOM 375 N LEU A 25 21.634 -4.614 -10.000 1.00 0.33 N ATOM 376 CA LEU A 25 20.983 -4.866 -11.311 1.00 0.43 C ATOM 377 C LEU A 25 19.469 -5.123 -11.114 1.00 0.56 C ATOM 378 O LEU A 25 18.632 -4.525 -11.773 1.00 0.72 O ATOM 379 CB LEU A 25 21.805 -6.060 -11.884 1.00 0.23 C ATOM 380 CG LEU A 25 23.216 -5.613 -12.339 1.00 0.50 C ATOM 381 CD1 LEU A 25 24.027 -6.789 -12.869 1.00 0.69 C ATOM 382 CD2 LEU A 25 23.120 -4.582 -13.495 1.00 0.55 C ATOM 0 H LEU A 25 22.567 -5.024 -9.952 1.00 0.33 H new ATOM 0 HA LEU A 25 20.996 -4.032 -12.013 1.00 0.43 H new ATOM 0 HB2 LEU A 25 21.896 -6.837 -11.125 1.00 0.23 H new ATOM 0 HB3 LEU A 25 21.272 -6.498 -12.728 1.00 0.23 H new ATOM 0 HG LEU A 25 23.699 -5.179 -11.464 1.00 0.50 H new ATOM 0 HD11 LEU A 25 25.012 -6.441 -13.180 1.00 0.69 H new ATOM 0 HD12 LEU A 25 24.138 -7.538 -12.085 1.00 0.69 H new ATOM 0 HD13 LEU A 25 23.512 -7.231 -13.722 1.00 0.69 H new ATOM 0 HD21 LEU A 25 24.123 -4.282 -13.799 1.00 0.55 H new ATOM 0 HD22 LEU A 25 22.604 -5.033 -14.343 1.00 0.55 H new ATOM 0 HD23 LEU A 25 22.566 -3.706 -13.157 1.00 0.55 H new ATOM 394 N PHE A 26 19.155 -6.012 -10.198 1.00 0.56 N ATOM 395 CA PHE A 26 17.709 -6.310 -9.945 1.00 0.61 C ATOM 396 C PHE A 26 17.039 -5.000 -9.499 1.00 0.50 C ATOM 397 O PHE A 26 16.129 -4.530 -10.154 1.00 0.55 O ATOM 398 CB PHE A 26 17.567 -7.361 -8.829 1.00 0.62 C ATOM 399 CG PHE A 26 16.077 -7.724 -8.641 1.00 0.69 C ATOM 400 CD1 PHE A 26 15.176 -6.817 -8.112 1.00 0.45 C ATOM 401 CD2 PHE A 26 15.615 -8.972 -9.001 1.00 1.13 C ATOM 402 CE1 PHE A 26 13.849 -7.150 -7.952 1.00 0.49 C ATOM 403 CE2 PHE A 26 14.281 -9.309 -8.839 1.00 1.20 C ATOM 404 CZ PHE A 26 13.397 -8.392 -8.312 1.00 0.84 C ATOM 0 H PHE A 26 19.821 -6.533 -9.627 1.00 0.56 H new ATOM 0 HA PHE A 26 17.242 -6.703 -10.848 1.00 0.61 H new ATOM 0 HB2 PHE A 26 18.139 -8.253 -9.082 1.00 0.62 H new ATOM 0 HB3 PHE A 26 17.977 -6.973 -7.897 1.00 0.62 H new ATOM 0 HD1 PHE A 26 15.518 -5.835 -7.821 1.00 0.45 H new ATOM 0 HD2 PHE A 26 16.302 -9.696 -9.414 1.00 1.13 H new ATOM 0 HE1 PHE A 26 13.160 -6.427 -7.540 1.00 0.49 H new ATOM 0 HE2 PHE A 26 13.934 -10.291 -9.126 1.00 1.20 H new ATOM 0 HZ PHE A 26 12.356 -8.651 -8.184 1.00 0.84 H new ATOM 414 N ILE A 27 17.503 -4.437 -8.406 1.00 0.39 N ATOM 415 CA ILE A 27 16.896 -3.150 -7.904 1.00 0.33 C ATOM 416 C ILE A 27 16.833 -2.118 -9.048 1.00 0.48 C ATOM 417 O ILE A 27 15.805 -1.521 -9.275 1.00 0.78 O ATOM 418 CB ILE A 27 17.767 -2.703 -6.691 1.00 0.27 C ATOM 419 CG1 ILE A 27 17.299 -3.450 -5.404 1.00 0.17 C ATOM 420 CG2 ILE A 27 17.739 -1.203 -6.420 1.00 0.32 C ATOM 421 CD1 ILE A 27 15.873 -3.047 -4.919 1.00 0.05 C ATOM 0 H ILE A 27 18.268 -4.805 -7.841 1.00 0.39 H new ATOM 0 HA ILE A 27 15.864 -3.266 -7.572 1.00 0.33 H new ATOM 0 HB ILE A 27 18.794 -2.958 -6.954 1.00 0.27 H new ATOM 0 HG12 ILE A 27 17.317 -4.523 -5.593 1.00 0.17 H new ATOM 0 HG13 ILE A 27 18.012 -3.255 -4.603 1.00 0.17 H new ATOM 0 HG21 ILE A 27 18.370 -0.977 -5.561 1.00 0.32 H new ATOM 0 HG22 ILE A 27 18.111 -0.668 -7.294 1.00 0.32 H new ATOM 0 HG23 ILE A 27 16.716 -0.890 -6.211 1.00 0.32 H new ATOM 0 HD11 ILE A 27 15.622 -3.610 -4.020 1.00 0.05 H new ATOM 0 HD12 ILE A 27 15.852 -1.980 -4.696 1.00 0.05 H new ATOM 0 HD13 ILE A 27 15.147 -3.269 -5.701 1.00 0.05 H new ATOM 433 N TYR A 28 17.916 -1.912 -9.741 1.00 0.27 N ATOM 434 CA TYR A 28 17.942 -0.947 -10.877 1.00 0.40 C ATOM 435 C TYR A 28 16.836 -1.266 -11.905 1.00 0.46 C ATOM 436 O TYR A 28 15.919 -0.491 -12.056 1.00 0.52 O ATOM 437 CB TYR A 28 19.324 -1.031 -11.540 1.00 0.34 C ATOM 438 CG TYR A 28 19.427 -0.062 -12.731 1.00 0.65 C ATOM 439 CD1 TYR A 28 18.729 -0.247 -13.917 1.00 3.12 C ATOM 440 CD2 TYR A 28 20.242 1.035 -12.624 1.00 1.57 C ATOM 441 CE1 TYR A 28 18.859 0.650 -14.952 1.00 3.36 C ATOM 442 CE2 TYR A 28 20.361 1.918 -13.667 1.00 1.31 C ATOM 443 CZ TYR A 28 19.672 1.736 -14.844 1.00 1.17 C ATOM 444 OH TYR A 28 19.800 2.610 -15.908 1.00 1.42 O ATOM 0 H TYR A 28 18.804 -2.382 -9.565 1.00 0.27 H new ATOM 0 HA TYR A 28 17.758 0.061 -10.504 1.00 0.40 H new ATOM 0 HB2 TYR A 28 20.097 -0.796 -10.808 1.00 0.34 H new ATOM 0 HB3 TYR A 28 19.506 -2.050 -11.880 1.00 0.34 H new ATOM 0 HD1 TYR A 28 18.079 -1.102 -14.028 1.00 3.12 H new ATOM 0 HD2 TYR A 28 20.794 1.205 -11.712 1.00 1.57 H new ATOM 0 HE1 TYR A 28 18.306 0.490 -15.866 1.00 3.36 H new ATOM 0 HE2 TYR A 28 21.010 2.775 -13.562 1.00 1.31 H new ATOM 0 HH TYR A 28 19.998 3.509 -15.571 1.00 1.42 H new ATOM 454 N SER A 29 16.945 -2.389 -12.571 1.00 0.44 N ATOM 455 CA SER A 29 15.894 -2.750 -13.598 1.00 0.44 C ATOM 456 C SER A 29 14.499 -2.643 -12.970 1.00 0.45 C ATOM 457 O SER A 29 13.643 -1.978 -13.511 1.00 0.46 O ATOM 458 CB SER A 29 16.100 -4.176 -14.089 1.00 0.47 C ATOM 459 OG SER A 29 15.963 -4.897 -12.871 1.00 0.69 O ATOM 0 H SER A 29 17.699 -3.067 -12.458 1.00 0.44 H new ATOM 0 HA SER A 29 15.981 -2.061 -14.438 1.00 0.44 H new ATOM 0 HB2 SER A 29 15.356 -4.470 -14.830 1.00 0.47 H new ATOM 0 HB3 SER A 29 17.079 -4.319 -14.546 1.00 0.47 H new ATOM 0 HG SER A 29 16.812 -4.877 -12.382 1.00 0.69 H new ATOM 465 N HIS A 30 14.278 -3.279 -11.848 1.00 0.46 N ATOM 466 CA HIS A 30 12.930 -3.195 -11.203 1.00 0.45 C ATOM 467 C HIS A 30 12.564 -1.726 -10.956 1.00 0.51 C ATOM 468 O HIS A 30 11.487 -1.346 -11.346 1.00 0.62 O ATOM 469 CB HIS A 30 12.979 -4.028 -9.895 1.00 0.35 C ATOM 470 CG HIS A 30 12.640 -5.446 -10.324 1.00 0.44 C ATOM 471 ND1 HIS A 30 11.483 -6.006 -10.162 1.00 0.42 N ATOM 472 CD2 HIS A 30 13.412 -6.392 -10.967 1.00 0.66 C ATOM 473 CE1 HIS A 30 11.523 -7.206 -10.668 1.00 0.57 C ATOM 474 NE2 HIS A 30 12.701 -7.482 -11.174 1.00 0.76 N ATOM 0 H HIS A 30 14.965 -3.848 -11.353 1.00 0.46 H new ATOM 0 HA HIS A 30 12.151 -3.604 -11.846 1.00 0.45 H new ATOM 0 HB2 HIS A 30 13.965 -3.980 -9.432 1.00 0.35 H new ATOM 0 HB3 HIS A 30 12.264 -3.655 -9.162 1.00 0.35 H new ATOM 0 HD2 HIS A 30 14.444 -6.259 -11.257 1.00 0.66 H new ATOM 0 HE1 HIS A 30 10.687 -7.890 -10.670 1.00 0.57 H new ATOM 0 HE2 HIS A 30 13.000 -8.346 -11.626 1.00 0.76 H new ATOM 482 N TYR A 31 13.395 -0.933 -10.349 1.00 0.51 N ATOM 483 CA TYR A 31 13.074 0.500 -10.106 1.00 0.60 C ATOM 484 C TYR A 31 12.811 1.251 -11.432 1.00 0.65 C ATOM 485 O TYR A 31 11.858 1.992 -11.580 1.00 0.65 O ATOM 486 CB TYR A 31 14.256 1.037 -9.357 1.00 0.59 C ATOM 487 CG TYR A 31 14.051 2.502 -9.024 1.00 0.67 C ATOM 488 CD1 TYR A 31 13.243 2.897 -7.978 1.00 0.48 C ATOM 489 CD2 TYR A 31 14.689 3.441 -9.788 1.00 1.00 C ATOM 490 CE1 TYR A 31 13.077 4.239 -7.709 1.00 0.65 C ATOM 491 CE2 TYR A 31 14.520 4.778 -9.516 1.00 1.12 C ATOM 492 CZ TYR A 31 13.718 5.178 -8.477 1.00 0.95 C ATOM 493 OH TYR A 31 13.564 6.519 -8.211 1.00 1.14 O ATOM 0 H TYR A 31 14.308 -1.224 -10.001 1.00 0.51 H new ATOM 0 HA TYR A 31 12.156 0.631 -9.533 1.00 0.60 H new ATOM 0 HB2 TYR A 31 14.403 0.466 -8.440 1.00 0.59 H new ATOM 0 HB3 TYR A 31 15.159 0.917 -9.956 1.00 0.59 H new ATOM 0 HD1 TYR A 31 12.742 2.157 -7.372 1.00 0.48 H new ATOM 0 HD2 TYR A 31 15.325 3.132 -10.604 1.00 1.00 H new ATOM 0 HE1 TYR A 31 12.442 4.551 -6.893 1.00 0.65 H new ATOM 0 HE2 TYR A 31 15.021 5.517 -10.123 1.00 1.12 H new ATOM 0 HH TYR A 31 14.090 7.042 -8.852 1.00 1.14 H new ATOM 503 N LYS A 32 13.689 1.029 -12.369 1.00 0.76 N ATOM 504 CA LYS A 32 13.594 1.666 -13.726 1.00 0.89 C ATOM 505 C LYS A 32 12.279 1.261 -14.415 1.00 0.97 C ATOM 506 O LYS A 32 11.597 2.067 -15.020 1.00 1.38 O ATOM 507 CB LYS A 32 14.848 1.214 -14.469 1.00 0.89 C ATOM 508 CG LYS A 32 16.009 2.088 -13.911 1.00 1.32 C ATOM 509 CD LYS A 32 15.932 3.492 -14.561 1.00 1.68 C ATOM 510 CE LYS A 32 16.795 4.508 -13.823 1.00 1.95 C ATOM 511 NZ LYS A 32 18.238 4.467 -14.212 1.00 2.42 N ATOM 0 H LYS A 32 14.495 0.415 -12.253 1.00 0.76 H new ATOM 0 HA LYS A 32 13.560 2.755 -13.691 1.00 0.89 H new ATOM 0 HB2 LYS A 32 15.041 0.154 -14.302 1.00 0.89 H new ATOM 0 HB3 LYS A 32 14.737 1.352 -15.544 1.00 0.89 H new ATOM 0 HG2 LYS A 32 15.933 2.169 -12.827 1.00 1.32 H new ATOM 0 HG3 LYS A 32 16.970 1.623 -14.129 1.00 1.32 H new ATOM 0 HD2 LYS A 32 16.254 3.429 -15.600 1.00 1.68 H new ATOM 0 HD3 LYS A 32 14.897 3.832 -14.568 1.00 1.68 H new ATOM 0 HE2 LYS A 32 16.405 5.508 -14.012 1.00 1.95 H new ATOM 0 HE3 LYS A 32 16.712 4.331 -12.751 1.00 1.95 H new ATOM 0 HZ1 LYS A 32 18.821 4.301 -13.367 1.00 2.42 H new ATOM 0 HZ2 LYS A 32 18.392 3.698 -14.895 1.00 2.42 H new ATOM 0 HZ3 LYS A 32 18.507 5.374 -14.645 1.00 2.42 H new ATOM 525 N GLN A 33 11.931 0.011 -14.336 1.00 0.73 N ATOM 526 CA GLN A 33 10.641 -0.413 -14.974 1.00 0.77 C ATOM 527 C GLN A 33 9.548 0.194 -14.057 1.00 0.68 C ATOM 528 O GLN A 33 8.748 1.013 -14.481 1.00 0.59 O ATOM 529 CB GLN A 33 10.587 -1.955 -15.002 1.00 0.90 C ATOM 530 CG GLN A 33 11.391 -2.514 -16.215 1.00 1.26 C ATOM 531 CD GLN A 33 10.915 -1.883 -17.536 1.00 2.55 C ATOM 532 OE1 GLN A 33 9.805 -1.409 -17.629 1.00 3.05 O ATOM 533 NE2 GLN A 33 11.644 -1.827 -18.602 1.00 3.35 N ATOM 0 H GLN A 33 12.463 -0.725 -13.872 1.00 0.73 H new ATOM 0 HA GLN A 33 10.517 -0.078 -16.004 1.00 0.77 H new ATOM 0 HB2 GLN A 33 10.995 -2.355 -14.074 1.00 0.90 H new ATOM 0 HB3 GLN A 33 9.550 -2.286 -15.063 1.00 0.90 H new ATOM 0 HG2 GLN A 33 12.453 -2.313 -16.075 1.00 1.26 H new ATOM 0 HG3 GLN A 33 11.275 -3.597 -16.264 1.00 1.26 H new ATOM 0 HE21 GLN A 33 12.590 -2.208 -18.593 1.00 3.35 H new ATOM 0 HE22 GLN A 33 11.273 -1.402 -19.452 1.00 3.35 H new ATOM 542 N ALA A 34 9.554 -0.211 -12.812 1.00 0.70 N ATOM 543 CA ALA A 34 8.585 0.271 -11.769 1.00 0.60 C ATOM 544 C ALA A 34 8.239 1.765 -11.859 1.00 0.66 C ATOM 545 O ALA A 34 7.146 2.165 -11.499 1.00 0.68 O ATOM 546 CB ALA A 34 9.172 0.000 -10.398 1.00 0.50 C ATOM 0 H ALA A 34 10.225 -0.891 -12.456 1.00 0.70 H new ATOM 0 HA ALA A 34 7.657 -0.273 -11.944 1.00 0.60 H new ATOM 0 HB1 ALA A 34 8.479 0.345 -9.631 1.00 0.50 H new ATOM 0 HB2 ALA A 34 9.341 -1.070 -10.280 1.00 0.50 H new ATOM 0 HB3 ALA A 34 10.119 0.530 -10.296 1.00 0.50 H new ATOM 552 N THR A 35 9.174 2.549 -12.329 1.00 0.67 N ATOM 553 CA THR A 35 8.950 4.034 -12.454 1.00 0.73 C ATOM 554 C THR A 35 9.022 4.542 -13.891 1.00 0.76 C ATOM 555 O THR A 35 8.102 5.212 -14.318 1.00 0.88 O ATOM 556 CB THR A 35 9.993 4.832 -11.667 1.00 0.61 C ATOM 557 OG1 THR A 35 11.212 4.511 -12.305 1.00 0.40 O ATOM 558 CG2 THR A 35 10.173 4.293 -10.271 1.00 0.65 C ATOM 0 H THR A 35 10.092 2.229 -12.636 1.00 0.67 H new ATOM 0 HA THR A 35 7.945 4.184 -12.059 1.00 0.73 H new ATOM 0 HB THR A 35 9.707 5.883 -11.630 1.00 0.61 H new ATOM 0 HG1 THR A 35 11.519 3.632 -12.000 1.00 0.40 H new ATOM 0 HG21 THR A 35 10.921 4.886 -9.746 1.00 0.65 H new ATOM 0 HG22 THR A 35 9.225 4.347 -9.735 1.00 0.65 H new ATOM 0 HG23 THR A 35 10.503 3.255 -10.321 1.00 0.65 H new ATOM 566 N VAL A 36 10.045 4.222 -14.641 1.00 0.70 N ATOM 567 CA VAL A 36 10.134 4.730 -16.053 1.00 0.62 C ATOM 568 C VAL A 36 9.346 3.833 -17.040 1.00 0.73 C ATOM 569 O VAL A 36 8.427 4.305 -17.677 1.00 0.56 O ATOM 570 CB VAL A 36 11.659 4.817 -16.444 1.00 0.56 C ATOM 571 CG1 VAL A 36 11.757 5.565 -17.794 1.00 0.48 C ATOM 572 CG2 VAL A 36 12.449 5.631 -15.388 1.00 0.60 C ATOM 0 H VAL A 36 10.823 3.633 -14.343 1.00 0.70 H new ATOM 0 HA VAL A 36 9.677 5.717 -16.115 1.00 0.62 H new ATOM 0 HB VAL A 36 12.075 3.811 -16.504 1.00 0.56 H new ATOM 0 HG11 VAL A 36 12.803 5.642 -18.092 1.00 0.48 H new ATOM 0 HG12 VAL A 36 11.202 5.017 -18.555 1.00 0.48 H new ATOM 0 HG13 VAL A 36 11.336 6.565 -17.687 1.00 0.48 H new ATOM 0 HG21 VAL A 36 13.499 5.679 -15.677 1.00 0.60 H new ATOM 0 HG22 VAL A 36 12.043 6.641 -15.328 1.00 0.60 H new ATOM 0 HG23 VAL A 36 12.362 5.147 -14.415 1.00 0.60 H new ATOM 582 N GLY A 37 9.676 2.575 -17.146 1.00 1.04 N ATOM 583 CA GLY A 37 8.965 1.613 -18.085 1.00 1.23 C ATOM 584 C GLY A 37 9.797 1.407 -19.340 1.00 1.36 C ATOM 585 O GLY A 37 11.002 1.257 -19.239 1.00 1.77 O ATOM 0 H GLY A 37 10.431 2.146 -16.610 1.00 1.04 H new ATOM 0 HA2 GLY A 37 8.801 0.658 -17.586 1.00 1.23 H new ATOM 0 HA3 GLY A 37 7.984 2.007 -18.349 1.00 1.23 H new ATOM 589 N ASP A 38 9.132 1.376 -20.470 1.00 1.28 N ATOM 590 CA ASP A 38 9.806 1.200 -21.787 1.00 1.35 C ATOM 591 C ASP A 38 11.131 1.946 -21.899 1.00 1.70 C ATOM 592 O ASP A 38 11.155 3.122 -22.207 1.00 3.17 O ATOM 593 CB ASP A 38 8.811 1.662 -22.903 1.00 1.32 C ATOM 594 CG ASP A 38 7.759 0.606 -23.185 1.00 1.45 C ATOM 595 OD1 ASP A 38 7.413 -0.099 -22.259 1.00 1.43 O ATOM 596 OD2 ASP A 38 7.376 0.583 -24.342 1.00 1.72 O ATOM 0 H ASP A 38 8.118 1.469 -20.531 1.00 1.28 H new ATOM 0 HA ASP A 38 10.062 0.147 -21.901 1.00 1.35 H new ATOM 0 HB2 ASP A 38 8.325 2.588 -22.597 1.00 1.32 H new ATOM 0 HB3 ASP A 38 9.364 1.879 -23.817 1.00 1.32 H new ATOM 601 N ILE A 39 12.207 1.252 -21.619 1.00 0.79 N ATOM 602 CA ILE A 39 13.535 1.940 -21.727 1.00 0.98 C ATOM 603 C ILE A 39 13.574 2.700 -23.087 1.00 1.70 C ATOM 604 O ILE A 39 13.236 2.148 -24.124 1.00 2.11 O ATOM 605 CB ILE A 39 14.662 0.868 -21.643 1.00 0.65 C ATOM 606 CG1 ILE A 39 16.008 1.613 -21.433 1.00 0.57 C ATOM 607 CG2 ILE A 39 14.733 0.051 -22.969 1.00 0.92 C ATOM 608 CD1 ILE A 39 17.087 0.588 -21.021 1.00 0.28 C ATOM 0 H ILE A 39 12.229 0.274 -21.330 1.00 0.79 H new ATOM 0 HA ILE A 39 13.684 2.655 -20.918 1.00 0.98 H new ATOM 0 HB ILE A 39 14.460 0.180 -20.822 1.00 0.65 H new ATOM 0 HG12 ILE A 39 16.303 2.124 -22.350 1.00 0.57 H new ATOM 0 HG13 ILE A 39 15.900 2.377 -20.663 1.00 0.57 H new ATOM 0 HG21 ILE A 39 15.525 -0.694 -22.895 1.00 0.92 H new ATOM 0 HG22 ILE A 39 13.779 -0.449 -23.140 1.00 0.92 H new ATOM 0 HG23 ILE A 39 14.944 0.724 -23.800 1.00 0.92 H new ATOM 0 HD11 ILE A 39 18.037 1.100 -20.871 1.00 0.28 H new ATOM 0 HD12 ILE A 39 16.788 0.098 -20.094 1.00 0.28 H new ATOM 0 HD13 ILE A 39 17.198 -0.159 -21.807 1.00 0.28 H new ATOM 620 N ASN A 40 13.950 3.948 -23.099 1.00 2.13 N ATOM 621 CA ASN A 40 14.001 4.694 -24.400 1.00 3.03 C ATOM 622 C ASN A 40 15.276 5.557 -24.435 1.00 3.10 C ATOM 623 O ASN A 40 15.408 6.445 -25.254 1.00 4.18 O ATOM 624 CB ASN A 40 12.719 5.553 -24.495 1.00 3.77 C ATOM 625 CG ASN A 40 12.549 6.360 -23.219 1.00 3.79 C ATOM 626 OD1 ASN A 40 12.970 7.487 -23.091 1.00 4.38 O ATOM 627 ND2 ASN A 40 11.938 5.812 -22.222 1.00 3.82 N ATOM 0 H ASN A 40 14.223 4.485 -22.276 1.00 2.13 H new ATOM 0 HA ASN A 40 14.039 4.018 -25.255 1.00 3.03 H new ATOM 0 HB2 ASN A 40 12.780 6.221 -25.354 1.00 3.77 H new ATOM 0 HB3 ASN A 40 11.851 4.912 -24.650 1.00 3.77 H new ATOM 0 HD21 ASN A 40 11.819 6.328 -21.350 1.00 3.82 H new ATOM 0 HD22 ASN A 40 11.574 4.863 -22.306 1.00 3.82 H new ATOM 634 N THR A 41 16.166 5.257 -23.522 1.00 1.97 N ATOM 635 CA THR A 41 17.452 6.009 -23.438 1.00 2.00 C ATOM 636 C THR A 41 18.478 5.321 -24.317 1.00 1.73 C ATOM 637 O THR A 41 18.176 4.365 -25.011 1.00 1.56 O ATOM 638 CB THR A 41 17.989 6.043 -21.966 1.00 1.96 C ATOM 639 OG1 THR A 41 18.248 4.699 -21.572 1.00 1.71 O ATOM 640 CG2 THR A 41 16.871 6.417 -21.002 1.00 2.23 C ATOM 0 H THR A 41 16.054 4.518 -22.828 1.00 1.97 H new ATOM 0 HA THR A 41 17.280 7.033 -23.770 1.00 2.00 H new ATOM 0 HB THR A 41 18.838 6.726 -21.938 1.00 1.96 H new ATOM 0 HG1 THR A 41 18.588 4.687 -20.653 1.00 1.71 H new ATOM 0 HG21 THR A 41 17.260 6.436 -19.984 1.00 2.23 H new ATOM 0 HG22 THR A 41 16.482 7.402 -21.261 1.00 2.23 H new ATOM 0 HG23 THR A 41 16.070 5.681 -21.071 1.00 2.23 H new ATOM 648 N GLU A 42 19.666 5.837 -24.249 1.00 1.78 N ATOM 649 CA GLU A 42 20.780 5.278 -25.055 1.00 1.56 C ATOM 650 C GLU A 42 21.522 4.164 -24.295 1.00 1.47 C ATOM 651 O GLU A 42 21.266 3.857 -23.151 1.00 1.58 O ATOM 652 CB GLU A 42 21.736 6.446 -25.389 1.00 1.56 C ATOM 653 CG GLU A 42 22.400 6.947 -24.049 1.00 1.77 C ATOM 654 CD GLU A 42 23.514 7.979 -24.266 1.00 2.39 C ATOM 655 OE1 GLU A 42 23.471 8.671 -25.268 1.00 4.50 O ATOM 656 OE2 GLU A 42 24.355 8.009 -23.382 1.00 1.33 O ATOM 0 H GLU A 42 19.917 6.633 -23.662 1.00 1.78 H new ATOM 0 HA GLU A 42 20.391 4.824 -25.967 1.00 1.56 H new ATOM 0 HB2 GLU A 42 22.502 6.119 -26.092 1.00 1.56 H new ATOM 0 HB3 GLU A 42 21.189 7.258 -25.868 1.00 1.56 H new ATOM 0 HG2 GLU A 42 21.630 7.384 -23.413 1.00 1.77 H new ATOM 0 HG3 GLU A 42 22.809 6.090 -23.513 1.00 1.77 H new ATOM 663 N ARG A 43 22.468 3.634 -25.003 1.00 1.32 N ATOM 664 CA ARG A 43 23.309 2.534 -24.482 1.00 1.22 C ATOM 665 C ARG A 43 24.593 3.258 -24.002 1.00 1.38 C ATOM 666 O ARG A 43 25.300 3.769 -24.849 1.00 1.82 O ATOM 667 CB ARG A 43 23.536 1.592 -25.635 1.00 1.31 C ATOM 668 CG ARG A 43 24.208 0.366 -25.057 1.00 1.16 C ATOM 669 CD ARG A 43 24.094 -0.716 -26.069 1.00 1.00 C ATOM 670 NE ARG A 43 24.934 -1.812 -25.494 1.00 1.05 N ATOM 671 CZ ARG A 43 24.503 -2.996 -25.308 1.00 0.98 C ATOM 672 NH1 ARG A 43 24.580 -3.821 -26.266 1.00 0.70 N ATOM 673 NH2 ARG A 43 24.020 -3.314 -24.182 1.00 1.29 N ATOM 0 H ARG A 43 22.700 3.927 -25.952 1.00 1.32 H new ATOM 0 HA ARG A 43 22.894 1.943 -23.666 1.00 1.22 H new ATOM 0 HB2 ARG A 43 22.593 1.329 -26.113 1.00 1.31 H new ATOM 0 HB3 ARG A 43 24.162 2.055 -26.398 1.00 1.31 H new ATOM 0 HG2 ARG A 43 25.254 0.572 -24.830 1.00 1.16 H new ATOM 0 HG3 ARG A 43 23.731 0.070 -24.122 1.00 1.16 H new ATOM 0 HD2 ARG A 43 23.060 -1.031 -26.206 1.00 1.00 H new ATOM 0 HD3 ARG A 43 24.462 -0.396 -27.044 1.00 1.00 H new ATOM 0 HE ARG A 43 25.899 -1.601 -25.238 1.00 1.05 H new ATOM 0 HH11 ARG A 43 24.980 -3.530 -27.158 1.00 0.70 H new ATOM 0 HH12 ARG A 43 24.243 -4.776 -26.145 1.00 0.70 H new ATOM 0 HH21 ARG A 43 23.978 -2.624 -23.432 1.00 1.29 H new ATOM 0 HH22 ARG A 43 23.673 -4.260 -24.025 1.00 1.29 H new ATOM 687 N PRO A 44 24.902 3.306 -22.720 1.00 1.27 N ATOM 688 CA PRO A 44 26.131 4.003 -22.210 1.00 1.66 C ATOM 689 C PRO A 44 27.379 3.827 -23.094 1.00 2.23 C ATOM 690 O PRO A 44 28.108 4.747 -23.415 1.00 4.09 O ATOM 691 CB PRO A 44 26.229 3.440 -20.776 1.00 1.28 C ATOM 692 CG PRO A 44 24.721 3.385 -20.400 1.00 1.31 C ATOM 693 CD PRO A 44 24.113 2.684 -21.615 1.00 1.12 C ATOM 0 HA PRO A 44 26.066 5.091 -22.228 1.00 1.66 H new ATOM 0 HB2 PRO A 44 26.701 2.458 -20.746 1.00 1.28 H new ATOM 0 HB3 PRO A 44 26.800 4.089 -20.112 1.00 1.28 H new ATOM 0 HG2 PRO A 44 24.551 2.826 -19.480 1.00 1.31 H new ATOM 0 HG3 PRO A 44 24.301 4.380 -20.251 1.00 1.31 H new ATOM 0 HD2 PRO A 44 24.240 1.602 -21.575 1.00 1.12 H new ATOM 0 HD3 PRO A 44 23.044 2.876 -21.711 1.00 1.12 H new ATOM 701 N GLY A 45 27.577 2.589 -23.445 1.00 2.02 N ATOM 702 CA GLY A 45 28.745 2.211 -24.320 1.00 2.19 C ATOM 703 C GLY A 45 30.088 2.254 -23.583 1.00 2.27 C ATOM 704 O GLY A 45 30.740 1.248 -23.425 1.00 2.19 O ATOM 0 H GLY A 45 26.981 1.809 -23.167 1.00 2.02 H new ATOM 0 HA2 GLY A 45 28.586 1.207 -24.714 1.00 2.19 H new ATOM 0 HA3 GLY A 45 28.785 2.887 -25.174 1.00 2.19 H new ATOM 708 N MET A 46 30.462 3.433 -23.152 1.00 2.57 N ATOM 709 CA MET A 46 31.760 3.635 -22.408 1.00 2.74 C ATOM 710 C MET A 46 32.018 2.569 -21.332 1.00 2.61 C ATOM 711 O MET A 46 32.992 1.842 -21.368 1.00 2.63 O ATOM 712 CB MET A 46 31.782 5.047 -21.712 1.00 3.06 C ATOM 713 CG MET A 46 31.819 6.192 -22.730 1.00 3.17 C ATOM 714 SD MET A 46 32.206 7.843 -22.086 1.00 2.58 S ATOM 715 CE MET A 46 30.572 8.336 -21.481 1.00 2.47 C ATOM 0 H MET A 46 29.917 4.285 -23.284 1.00 2.57 H new ATOM 0 HA MET A 46 32.545 3.555 -23.160 1.00 2.74 H new ATOM 0 HB2 MET A 46 30.900 5.153 -21.080 1.00 3.06 H new ATOM 0 HB3 MET A 46 32.652 5.115 -21.059 1.00 3.06 H new ATOM 0 HG2 MET A 46 32.555 5.944 -23.494 1.00 3.17 H new ATOM 0 HG3 MET A 46 30.849 6.239 -23.225 1.00 3.17 H new ATOM 0 HE1 MET A 46 30.630 9.335 -21.050 1.00 2.47 H new ATOM 0 HE2 MET A 46 29.863 8.339 -22.309 1.00 2.47 H new ATOM 0 HE3 MET A 46 30.238 7.631 -20.720 1.00 2.47 H new ATOM 725 N LEU A 47 31.107 2.543 -20.400 1.00 2.54 N ATOM 726 CA LEU A 47 31.192 1.573 -19.269 1.00 2.49 C ATOM 727 C LEU A 47 30.223 0.396 -19.447 1.00 2.45 C ATOM 728 O LEU A 47 29.129 0.482 -19.979 1.00 4.48 O ATOM 729 CB LEU A 47 30.844 2.270 -17.921 1.00 2.36 C ATOM 730 CG LEU A 47 31.017 3.796 -17.957 1.00 3.92 C ATOM 731 CD1 LEU A 47 30.590 4.339 -16.603 1.00 5.65 C ATOM 732 CD2 LEU A 47 32.478 4.202 -18.222 1.00 2.92 C ATOM 0 H LEU A 47 30.296 3.160 -20.372 1.00 2.54 H new ATOM 0 HA LEU A 47 32.217 1.201 -19.260 1.00 2.49 H new ATOM 0 HB2 LEU A 47 29.813 2.035 -17.655 1.00 2.36 H new ATOM 0 HB3 LEU A 47 31.477 1.859 -17.135 1.00 2.36 H new ATOM 0 HG LEU A 47 30.411 4.202 -18.767 1.00 3.92 H new ATOM 0 HD11 LEU A 47 30.701 5.423 -16.594 1.00 5.65 H new ATOM 0 HD12 LEU A 47 29.547 4.079 -16.419 1.00 5.65 H new ATOM 0 HD13 LEU A 47 31.215 3.904 -15.823 1.00 5.65 H new ATOM 0 HD21 LEU A 47 32.556 5.289 -18.240 1.00 2.92 H new ATOM 0 HD22 LEU A 47 33.115 3.805 -17.432 1.00 2.92 H new ATOM 0 HD23 LEU A 47 32.799 3.800 -19.183 1.00 2.92 H new ATOM 744 N ASP A 48 30.690 -0.695 -18.930 1.00 0.33 N ATOM 745 CA ASP A 48 29.936 -1.969 -18.981 1.00 0.78 C ATOM 746 C ASP A 48 29.189 -2.279 -17.711 1.00 1.17 C ATOM 747 O ASP A 48 27.971 -2.209 -17.708 1.00 1.36 O ATOM 748 CB ASP A 48 30.997 -2.996 -19.365 1.00 1.54 C ATOM 749 CG ASP A 48 30.980 -3.030 -20.870 1.00 1.59 C ATOM 750 OD1 ASP A 48 31.597 -2.204 -21.509 1.00 1.81 O ATOM 751 OD2 ASP A 48 30.294 -3.905 -21.349 1.00 2.29 O ATOM 0 H ASP A 48 31.592 -0.760 -18.459 1.00 0.33 H new ATOM 0 HA ASP A 48 29.120 -1.947 -19.703 1.00 0.78 H new ATOM 0 HB2 ASP A 48 31.979 -2.709 -18.988 1.00 1.54 H new ATOM 0 HB3 ASP A 48 30.768 -3.976 -18.946 1.00 1.54 H new ATOM 756 N PHE A 49 29.937 -2.604 -16.698 1.00 1.34 N ATOM 757 CA PHE A 49 29.348 -2.935 -15.376 1.00 1.91 C ATOM 758 C PHE A 49 28.267 -1.932 -14.972 1.00 1.63 C ATOM 759 O PHE A 49 27.167 -2.289 -14.621 1.00 1.50 O ATOM 760 CB PHE A 49 30.514 -2.980 -14.330 1.00 2.65 C ATOM 761 CG PHE A 49 30.951 -1.566 -13.923 1.00 2.90 C ATOM 762 CD1 PHE A 49 31.581 -0.698 -14.802 1.00 3.68 C ATOM 763 CD2 PHE A 49 30.681 -1.137 -12.643 1.00 4.05 C ATOM 764 CE1 PHE A 49 31.933 0.577 -14.404 1.00 4.45 C ATOM 765 CE2 PHE A 49 31.027 0.131 -12.240 1.00 4.37 C ATOM 766 CZ PHE A 49 31.655 0.993 -13.117 1.00 4.16 C ATOM 0 H PHE A 49 30.955 -2.655 -16.733 1.00 1.34 H new ATOM 0 HA PHE A 49 28.853 -3.905 -15.423 1.00 1.91 H new ATOM 0 HB2 PHE A 49 30.192 -3.532 -13.447 1.00 2.65 H new ATOM 0 HB3 PHE A 49 31.363 -3.519 -14.751 1.00 2.65 H new ATOM 0 HD1 PHE A 49 31.799 -1.022 -15.809 1.00 3.68 H new ATOM 0 HD2 PHE A 49 30.192 -1.804 -11.948 1.00 4.05 H new ATOM 0 HE1 PHE A 49 32.423 1.245 -15.096 1.00 4.45 H new ATOM 0 HE2 PHE A 49 30.807 0.454 -11.233 1.00 4.37 H new ATOM 0 HZ PHE A 49 31.928 1.988 -12.798 1.00 4.16 H new ATOM 776 N LYS A 50 28.611 -0.682 -15.037 1.00 1.66 N ATOM 777 CA LYS A 50 27.646 0.400 -14.660 1.00 1.72 C ATOM 778 C LYS A 50 26.897 1.081 -15.802 1.00 1.44 C ATOM 779 O LYS A 50 26.038 1.889 -15.535 1.00 1.57 O ATOM 780 CB LYS A 50 28.458 1.401 -13.802 1.00 2.10 C ATOM 781 CG LYS A 50 27.564 2.504 -13.172 1.00 2.60 C ATOM 782 CD LYS A 50 28.179 3.001 -11.811 1.00 2.23 C ATOM 783 CE LYS A 50 27.464 4.291 -11.348 1.00 4.95 C ATOM 784 NZ LYS A 50 27.580 4.452 -9.859 1.00 6.22 N ATOM 0 H LYS A 50 29.528 -0.352 -15.338 1.00 1.66 H new ATOM 0 HA LYS A 50 26.818 -0.053 -14.115 1.00 1.72 H new ATOM 0 HB2 LYS A 50 28.975 0.860 -13.010 1.00 2.10 H new ATOM 0 HB3 LYS A 50 29.224 1.868 -14.421 1.00 2.10 H new ATOM 0 HG2 LYS A 50 27.469 3.342 -13.863 1.00 2.60 H new ATOM 0 HG3 LYS A 50 26.560 2.115 -13.004 1.00 2.60 H new ATOM 0 HD2 LYS A 50 28.077 2.226 -11.052 1.00 2.23 H new ATOM 0 HD3 LYS A 50 29.246 3.190 -11.932 1.00 2.23 H new ATOM 0 HE2 LYS A 50 27.901 5.155 -11.848 1.00 4.95 H new ATOM 0 HE3 LYS A 50 26.413 4.254 -11.635 1.00 4.95 H new ATOM 0 HZ1 LYS A 50 26.697 4.852 -9.483 1.00 6.22 H new ATOM 0 HZ2 LYS A 50 27.754 3.524 -9.422 1.00 6.22 H new ATOM 0 HZ3 LYS A 50 28.370 5.091 -9.639 1.00 6.22 H new ATOM 798 N GLY A 51 27.242 0.779 -17.024 1.00 1.30 N ATOM 799 CA GLY A 51 26.531 1.396 -18.206 1.00 1.15 C ATOM 800 C GLY A 51 25.663 0.324 -18.903 1.00 0.75 C ATOM 801 O GLY A 51 24.452 0.369 -18.809 1.00 0.63 O ATOM 0 H GLY A 51 27.989 0.128 -17.267 1.00 1.30 H new ATOM 0 HA2 GLY A 51 25.907 2.226 -17.875 1.00 1.15 H new ATOM 0 HA3 GLY A 51 27.258 1.804 -18.909 1.00 1.15 H new ATOM 805 N LYS A 52 26.269 -0.620 -19.570 1.00 0.68 N ATOM 806 CA LYS A 52 25.399 -1.648 -20.228 1.00 0.48 C ATOM 807 C LYS A 52 24.676 -2.582 -19.221 1.00 0.56 C ATOM 808 O LYS A 52 23.485 -2.709 -19.320 1.00 0.43 O ATOM 809 CB LYS A 52 26.215 -2.578 -21.206 1.00 0.48 C ATOM 810 CG LYS A 52 26.764 -1.871 -22.494 1.00 0.20 C ATOM 811 CD LYS A 52 28.002 -1.030 -22.134 1.00 1.99 C ATOM 812 CE LYS A 52 29.177 -1.105 -23.143 1.00 1.99 C ATOM 813 NZ LYS A 52 29.671 -2.502 -23.344 1.00 1.58 N ATOM 0 H LYS A 52 27.276 -0.728 -19.688 1.00 0.68 H new ATOM 0 HA LYS A 52 24.662 -1.058 -20.773 1.00 0.48 H new ATOM 0 HB2 LYS A 52 27.055 -3.006 -20.659 1.00 0.48 H new ATOM 0 HB3 LYS A 52 25.577 -3.408 -21.510 1.00 0.48 H new ATOM 0 HG2 LYS A 52 27.024 -2.615 -23.247 1.00 0.20 H new ATOM 0 HG3 LYS A 52 25.993 -1.234 -22.928 1.00 0.20 H new ATOM 0 HD2 LYS A 52 27.696 0.012 -22.036 1.00 1.99 H new ATOM 0 HD3 LYS A 52 28.364 -1.349 -21.157 1.00 1.99 H new ATOM 0 HE2 LYS A 52 28.856 -0.695 -24.101 1.00 1.99 H new ATOM 0 HE3 LYS A 52 29.997 -0.481 -22.788 1.00 1.99 H new ATOM 0 HZ1 LYS A 52 30.710 -2.512 -23.304 1.00 1.58 H new ATOM 0 HZ2 LYS A 52 29.290 -3.116 -22.596 1.00 1.58 H new ATOM 0 HZ3 LYS A 52 29.357 -2.851 -24.272 1.00 1.58 H new ATOM 827 N ALA A 53 25.341 -3.153 -18.244 1.00 0.83 N ATOM 828 CA ALA A 53 24.601 -4.079 -17.328 1.00 0.89 C ATOM 829 C ALA A 53 23.273 -3.477 -16.828 1.00 0.73 C ATOM 830 O ALA A 53 22.240 -4.096 -16.978 1.00 0.57 O ATOM 831 CB ALA A 53 25.487 -4.439 -16.107 1.00 1.13 C ATOM 0 H ALA A 53 26.333 -3.024 -18.044 1.00 0.83 H new ATOM 0 HA ALA A 53 24.366 -4.974 -17.904 1.00 0.89 H new ATOM 0 HB1 ALA A 53 24.940 -5.112 -15.447 1.00 1.13 H new ATOM 0 HB2 ALA A 53 26.399 -4.928 -16.450 1.00 1.13 H new ATOM 0 HB3 ALA A 53 25.746 -3.530 -15.564 1.00 1.13 H new ATOM 837 N LYS A 54 23.339 -2.286 -16.276 1.00 0.90 N ATOM 838 CA LYS A 54 22.107 -1.639 -15.767 1.00 0.91 C ATOM 839 C LYS A 54 21.192 -1.128 -16.899 1.00 0.84 C ATOM 840 O LYS A 54 20.095 -0.690 -16.651 1.00 0.94 O ATOM 841 CB LYS A 54 22.565 -0.506 -14.865 1.00 1.00 C ATOM 842 CG LYS A 54 22.962 0.754 -15.702 1.00 1.31 C ATOM 843 CD LYS A 54 23.435 1.763 -14.676 1.00 1.63 C ATOM 844 CE LYS A 54 23.746 3.201 -15.263 1.00 2.20 C ATOM 845 NZ LYS A 54 22.531 3.976 -15.662 1.00 1.84 N ATOM 0 H LYS A 54 24.195 -1.743 -16.161 1.00 0.90 H new ATOM 0 HA LYS A 54 21.499 -2.361 -15.222 1.00 0.91 H new ATOM 0 HB2 LYS A 54 21.768 -0.247 -14.168 1.00 1.00 H new ATOM 0 HB3 LYS A 54 23.417 -0.833 -14.268 1.00 1.00 H new ATOM 0 HG2 LYS A 54 23.748 0.521 -16.420 1.00 1.31 H new ATOM 0 HG3 LYS A 54 22.114 1.135 -16.271 1.00 1.31 H new ATOM 0 HD2 LYS A 54 22.675 1.858 -13.901 1.00 1.63 H new ATOM 0 HD3 LYS A 54 24.334 1.379 -14.195 1.00 1.63 H new ATOM 0 HE2 LYS A 54 24.300 3.773 -14.519 1.00 2.20 H new ATOM 0 HE3 LYS A 54 24.396 3.094 -16.131 1.00 2.20 H new ATOM 0 HZ1 LYS A 54 22.756 4.991 -15.677 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 22.223 3.676 -16.609 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 21.767 3.801 -14.978 1.00 1.84 H new ATOM 859 N TRP A 55 21.590 -1.151 -18.132 1.00 0.77 N ATOM 860 CA TRP A 55 20.703 -0.656 -19.241 1.00 0.71 C ATOM 861 C TRP A 55 20.010 -1.871 -19.876 1.00 0.67 C ATOM 862 O TRP A 55 18.839 -1.932 -20.200 1.00 0.73 O ATOM 863 CB TRP A 55 21.620 0.025 -20.203 1.00 0.71 C ATOM 864 CG TRP A 55 20.794 0.878 -21.140 1.00 0.68 C ATOM 865 CD1 TRP A 55 20.384 2.145 -20.880 1.00 0.79 C ATOM 866 CD2 TRP A 55 20.337 0.482 -22.344 1.00 0.58 C ATOM 867 NE1 TRP A 55 19.697 2.436 -21.961 1.00 0.76 N ATOM 868 CE2 TRP A 55 19.602 1.512 -22.899 1.00 0.64 C ATOM 869 CE3 TRP A 55 20.495 -0.714 -23.045 1.00 0.52 C ATOM 870 CZ2 TRP A 55 19.015 1.372 -24.144 1.00 0.65 C ATOM 871 CZ3 TRP A 55 19.909 -0.865 -24.305 1.00 0.54 C ATOM 872 CH2 TRP A 55 19.164 0.183 -24.856 1.00 0.60 C ATOM 0 H TRP A 55 22.502 -1.494 -18.435 1.00 0.77 H new ATOM 0 HA TRP A 55 19.924 0.031 -18.910 1.00 0.71 H new ATOM 0 HB2 TRP A 55 22.340 0.642 -19.666 1.00 0.71 H new ATOM 0 HB3 TRP A 55 22.191 -0.712 -20.768 1.00 0.71 H new ATOM 0 HD1 TRP A 55 20.573 2.756 -20.010 1.00 0.79 H new ATOM 0 HE1 TRP A 55 19.251 3.347 -22.072 1.00 0.76 H new ATOM 0 HE3 TRP A 55 21.069 -1.521 -22.615 1.00 0.52 H new ATOM 0 HZ2 TRP A 55 18.441 2.184 -24.564 1.00 0.65 H new ATOM 0 HZ3 TRP A 55 20.031 -1.788 -24.852 1.00 0.54 H new ATOM 0 HH2 TRP A 55 18.707 0.071 -25.828 1.00 0.60 H new ATOM 883 N ASP A 56 20.853 -2.847 -19.962 1.00 0.62 N ATOM 884 CA ASP A 56 20.563 -4.180 -20.526 1.00 0.65 C ATOM 885 C ASP A 56 19.526 -4.715 -19.539 1.00 0.63 C ATOM 886 O ASP A 56 18.389 -4.913 -19.912 1.00 0.69 O ATOM 887 CB ASP A 56 21.957 -4.831 -20.541 1.00 0.74 C ATOM 888 CG ASP A 56 22.711 -4.314 -21.758 1.00 0.98 C ATOM 889 OD1 ASP A 56 22.909 -3.113 -21.895 1.00 2.78 O ATOM 890 OD2 ASP A 56 23.081 -5.153 -22.551 1.00 1.00 O ATOM 0 H ASP A 56 21.815 -2.761 -19.633 1.00 0.62 H new ATOM 0 HA ASP A 56 20.147 -4.307 -21.525 1.00 0.65 H new ATOM 0 HB2 ASP A 56 22.499 -4.589 -19.627 1.00 0.74 H new ATOM 0 HB3 ASP A 56 21.869 -5.917 -20.581 1.00 0.74 H new ATOM 895 N ALA A 57 19.923 -4.912 -18.311 1.00 0.50 N ATOM 896 CA ALA A 57 19.007 -5.421 -17.237 1.00 0.46 C ATOM 897 C ALA A 57 17.593 -4.748 -17.279 1.00 0.47 C ATOM 898 O ALA A 57 16.588 -5.313 -16.902 1.00 0.58 O ATOM 899 CB ALA A 57 19.727 -5.156 -15.910 1.00 0.29 C ATOM 0 H ALA A 57 20.876 -4.736 -17.993 1.00 0.50 H new ATOM 0 HA ALA A 57 18.807 -6.483 -17.376 1.00 0.46 H new ATOM 0 HB1 ALA A 57 19.108 -5.506 -15.084 1.00 0.29 H new ATOM 0 HB2 ALA A 57 20.679 -5.687 -15.900 1.00 0.29 H new ATOM 0 HB3 ALA A 57 19.907 -4.086 -15.801 1.00 0.29 H new ATOM 905 N TRP A 58 17.549 -3.530 -17.760 1.00 0.41 N ATOM 906 CA TRP A 58 16.261 -2.764 -17.859 1.00 0.41 C ATOM 907 C TRP A 58 15.597 -2.989 -19.260 1.00 0.43 C ATOM 908 O TRP A 58 14.391 -3.095 -19.372 1.00 0.40 O ATOM 909 CB TRP A 58 16.627 -1.265 -17.565 1.00 0.39 C ATOM 910 CG TRP A 58 15.387 -0.357 -17.687 1.00 0.50 C ATOM 911 CD1 TRP A 58 14.113 -0.801 -17.685 1.00 0.52 C ATOM 912 CD2 TRP A 58 15.373 0.981 -17.855 1.00 0.60 C ATOM 913 NE1 TRP A 58 13.403 0.304 -17.866 1.00 0.64 N ATOM 914 CE2 TRP A 58 14.070 1.433 -17.979 1.00 0.71 C ATOM 915 CE3 TRP A 58 16.414 1.889 -17.890 1.00 0.62 C ATOM 916 CZ2 TRP A 58 13.798 2.781 -18.150 1.00 0.85 C ATOM 917 CZ3 TRP A 58 16.153 3.255 -18.056 1.00 0.75 C ATOM 918 CH2 TRP A 58 14.843 3.699 -18.187 1.00 0.87 C ATOM 0 H TRP A 58 18.367 -3.022 -18.096 1.00 0.41 H new ATOM 0 HA TRP A 58 15.514 -3.101 -17.140 1.00 0.41 H new ATOM 0 HB2 TRP A 58 17.047 -1.180 -16.563 1.00 0.39 H new ATOM 0 HB3 TRP A 58 17.396 -0.932 -18.262 1.00 0.39 H new ATOM 0 HD1 TRP A 58 13.757 -1.814 -17.565 1.00 0.52 H new ATOM 0 HE1 TRP A 58 12.384 0.280 -17.916 1.00 0.64 H new ATOM 0 HE3 TRP A 58 17.432 1.544 -17.789 1.00 0.62 H new ATOM 0 HZ2 TRP A 58 12.777 3.118 -18.254 1.00 0.85 H new ATOM 0 HZ3 TRP A 58 16.969 3.962 -18.082 1.00 0.75 H new ATOM 0 HH2 TRP A 58 14.637 4.751 -18.317 1.00 0.87 H new ATOM 929 N ASN A 59 16.393 -3.068 -20.290 1.00 0.42 N ATOM 930 CA ASN A 59 15.925 -3.290 -21.690 1.00 0.41 C ATOM 931 C ASN A 59 15.235 -4.676 -21.596 1.00 0.56 C ATOM 932 O ASN A 59 14.162 -4.888 -22.130 1.00 0.61 O ATOM 933 CB ASN A 59 17.212 -3.232 -22.579 1.00 0.51 C ATOM 934 CG ASN A 59 16.940 -3.560 -24.040 1.00 0.42 C ATOM 935 OD1 ASN A 59 15.953 -3.154 -24.615 1.00 0.35 O ATOM 936 ND2 ASN A 59 17.803 -4.293 -24.676 1.00 0.43 N ATOM 0 H ASN A 59 17.406 -2.983 -20.212 1.00 0.42 H new ATOM 0 HA ASN A 59 15.227 -2.575 -22.125 1.00 0.41 H new ATOM 0 HB2 ASN A 59 17.649 -2.236 -22.511 1.00 0.51 H new ATOM 0 HB3 ASN A 59 17.950 -3.932 -22.186 1.00 0.51 H new ATOM 0 HD21 ASN A 59 17.650 -4.526 -25.657 1.00 0.43 H new ATOM 0 HD22 ASN A 59 18.634 -4.636 -24.194 1.00 0.43 H new ATOM 943 N GLU A 60 15.882 -5.571 -20.887 1.00 0.61 N ATOM 944 CA GLU A 60 15.363 -6.965 -20.670 1.00 0.76 C ATOM 945 C GLU A 60 13.931 -7.006 -20.086 1.00 0.83 C ATOM 946 O GLU A 60 13.240 -7.999 -20.172 1.00 1.02 O ATOM 947 CB GLU A 60 16.348 -7.721 -19.716 1.00 0.81 C ATOM 948 CG GLU A 60 17.683 -8.045 -20.464 1.00 2.97 C ATOM 949 CD GLU A 60 18.623 -8.964 -19.652 1.00 3.64 C ATOM 950 OE1 GLU A 60 19.075 -8.541 -18.596 1.00 2.81 O ATOM 951 OE2 GLU A 60 18.839 -10.056 -20.147 1.00 5.16 O ATOM 0 H GLU A 60 16.778 -5.388 -20.434 1.00 0.61 H new ATOM 0 HA GLU A 60 15.307 -7.449 -21.645 1.00 0.76 H new ATOM 0 HB2 GLU A 60 16.554 -7.111 -18.837 1.00 0.81 H new ATOM 0 HB3 GLU A 60 15.887 -8.644 -19.363 1.00 0.81 H new ATOM 0 HG2 GLU A 60 17.453 -8.521 -21.417 1.00 2.97 H new ATOM 0 HG3 GLU A 60 18.201 -7.113 -20.690 1.00 2.97 H new ATOM 958 N LEU A 61 13.513 -5.922 -19.502 1.00 0.70 N ATOM 959 CA LEU A 61 12.152 -5.804 -18.882 1.00 0.85 C ATOM 960 C LEU A 61 11.397 -4.637 -19.534 1.00 0.79 C ATOM 961 O LEU A 61 10.362 -4.222 -19.049 1.00 0.95 O ATOM 962 CB LEU A 61 12.286 -5.495 -17.391 1.00 0.89 C ATOM 963 CG LEU A 61 13.342 -6.310 -16.664 1.00 0.89 C ATOM 964 CD1 LEU A 61 13.244 -5.893 -15.194 1.00 0.93 C ATOM 965 CD2 LEU A 61 13.023 -7.789 -16.814 1.00 1.00 C ATOM 0 H LEU A 61 14.077 -5.076 -19.422 1.00 0.70 H new ATOM 0 HA LEU A 61 11.618 -6.743 -19.028 1.00 0.85 H new ATOM 0 HB2 LEU A 61 12.519 -4.437 -17.273 1.00 0.89 H new ATOM 0 HB3 LEU A 61 11.322 -5.665 -16.911 1.00 0.89 H new ATOM 0 HG LEU A 61 14.343 -6.141 -17.060 1.00 0.89 H new ATOM 0 HD11 LEU A 61 13.981 -6.444 -14.610 1.00 0.93 H new ATOM 0 HD12 LEU A 61 13.437 -4.824 -15.105 1.00 0.93 H new ATOM 0 HD13 LEU A 61 12.245 -6.114 -14.819 1.00 0.93 H new ATOM 0 HD21 LEU A 61 13.778 -8.379 -16.294 1.00 1.00 H new ATOM 0 HD22 LEU A 61 12.043 -7.995 -16.385 1.00 1.00 H new ATOM 0 HD23 LEU A 61 13.019 -8.055 -17.871 1.00 1.00 H new ATOM 977 N LYS A 62 11.918 -4.134 -20.619 1.00 0.61 N ATOM 978 CA LYS A 62 11.301 -2.994 -21.331 1.00 0.53 C ATOM 979 C LYS A 62 9.801 -2.804 -21.277 1.00 0.46 C ATOM 980 O LYS A 62 9.397 -1.673 -21.175 1.00 0.79 O ATOM 981 CB LYS A 62 11.816 -3.056 -22.809 1.00 0.61 C ATOM 982 CG LYS A 62 11.203 -1.828 -23.602 1.00 0.52 C ATOM 983 CD LYS A 62 11.313 -2.049 -25.125 1.00 1.19 C ATOM 984 CE LYS A 62 10.603 -0.923 -25.921 1.00 1.21 C ATOM 985 NZ LYS A 62 9.163 -0.854 -25.506 1.00 1.68 N ATOM 0 H LYS A 62 12.774 -4.482 -21.050 1.00 0.61 H new ATOM 0 HA LYS A 62 11.618 -2.109 -20.780 1.00 0.53 H new ATOM 0 HB2 LYS A 62 12.905 -3.018 -22.833 1.00 0.61 H new ATOM 0 HB3 LYS A 62 11.519 -3.995 -23.275 1.00 0.61 H new ATOM 0 HG2 LYS A 62 10.157 -1.695 -23.324 1.00 0.52 H new ATOM 0 HG3 LYS A 62 11.725 -0.913 -23.324 1.00 0.52 H new ATOM 0 HD2 LYS A 62 12.364 -2.090 -25.412 1.00 1.19 H new ATOM 0 HD3 LYS A 62 10.873 -3.012 -25.386 1.00 1.19 H new ATOM 0 HE2 LYS A 62 11.093 0.033 -25.736 1.00 1.21 H new ATOM 0 HE3 LYS A 62 10.676 -1.117 -26.991 1.00 1.21 H new ATOM 0 HZ1 LYS A 62 8.555 -0.959 -26.343 1.00 1.68 H new ATOM 0 HZ2 LYS A 62 8.959 -1.619 -24.832 1.00 1.68 H new ATOM 0 HZ3 LYS A 62 8.975 0.064 -25.054 1.00 1.68 H new ATOM 999 N GLY A 63 9.012 -3.827 -21.307 1.00 0.37 N ATOM 1000 CA GLY A 63 7.515 -3.618 -21.274 1.00 0.34 C ATOM 1001 C GLY A 63 6.785 -4.125 -20.033 1.00 0.30 C ATOM 1002 O GLY A 63 5.776 -4.800 -20.140 1.00 0.30 O ATOM 0 H GLY A 63 9.317 -4.799 -21.353 1.00 0.37 H new ATOM 0 HA2 GLY A 63 7.317 -2.551 -21.374 1.00 0.34 H new ATOM 0 HA3 GLY A 63 7.083 -4.106 -22.148 1.00 0.34 H new ATOM 1006 N THR A 64 7.286 -3.806 -18.873 1.00 0.38 N ATOM 1007 CA THR A 64 6.589 -4.282 -17.628 1.00 0.50 C ATOM 1008 C THR A 64 5.658 -3.234 -16.995 1.00 0.51 C ATOM 1009 O THR A 64 5.676 -2.061 -17.329 1.00 0.43 O ATOM 1010 CB THR A 64 7.675 -4.725 -16.624 1.00 0.69 C ATOM 1011 OG1 THR A 64 8.180 -5.917 -17.194 1.00 1.02 O ATOM 1012 CG2 THR A 64 7.132 -5.262 -15.288 1.00 0.96 C ATOM 0 H THR A 64 8.128 -3.250 -18.725 1.00 0.38 H new ATOM 0 HA THR A 64 5.935 -5.110 -17.901 1.00 0.50 H new ATOM 0 HB THR A 64 8.333 -3.874 -16.450 1.00 0.69 H new ATOM 0 HG1 THR A 64 8.888 -6.279 -16.621 1.00 1.02 H new ATOM 0 HG21 THR A 64 7.965 -5.549 -14.646 1.00 0.96 H new ATOM 0 HG22 THR A 64 6.545 -4.487 -14.796 1.00 0.96 H new ATOM 0 HG23 THR A 64 6.501 -6.131 -15.475 1.00 0.96 H new ATOM 1020 N SER A 65 4.884 -3.753 -16.071 1.00 0.59 N ATOM 1021 CA SER A 65 3.862 -3.014 -15.268 1.00 0.58 C ATOM 1022 C SER A 65 4.384 -2.587 -13.876 1.00 0.69 C ATOM 1023 O SER A 65 4.713 -3.364 -12.993 1.00 0.86 O ATOM 1024 CB SER A 65 2.613 -3.919 -15.115 1.00 0.59 C ATOM 1025 OG SER A 65 3.075 -5.268 -15.200 1.00 1.70 O ATOM 0 H SER A 65 4.929 -4.742 -15.826 1.00 0.59 H new ATOM 0 HA SER A 65 3.615 -2.094 -15.798 1.00 0.58 H new ATOM 0 HB2 SER A 65 2.118 -3.738 -14.161 1.00 0.59 H new ATOM 0 HB3 SER A 65 1.884 -3.709 -15.897 1.00 0.59 H new ATOM 0 HG SER A 65 2.835 -5.748 -14.380 1.00 1.70 H new ATOM 1031 N LYS A 66 4.428 -1.287 -13.778 1.00 0.67 N ATOM 1032 CA LYS A 66 4.892 -0.543 -12.571 1.00 0.81 C ATOM 1033 C LYS A 66 4.788 -1.313 -11.241 1.00 0.64 C ATOM 1034 O LYS A 66 5.742 -1.743 -10.635 1.00 0.42 O ATOM 1035 CB LYS A 66 4.070 0.784 -12.546 1.00 1.02 C ATOM 1036 CG LYS A 66 4.154 1.611 -13.856 1.00 1.46 C ATOM 1037 CD LYS A 66 5.622 1.817 -14.262 1.00 1.26 C ATOM 1038 CE LYS A 66 5.703 2.831 -15.367 1.00 1.03 C ATOM 1039 NZ LYS A 66 7.148 3.047 -15.655 1.00 1.70 N ATOM 0 H LYS A 66 4.141 -0.672 -14.539 1.00 0.67 H new ATOM 0 HA LYS A 66 5.964 -0.367 -12.654 1.00 0.81 H new ATOM 0 HB2 LYS A 66 3.025 0.547 -12.346 1.00 1.02 H new ATOM 0 HB3 LYS A 66 4.421 1.400 -11.718 1.00 1.02 H new ATOM 0 HG2 LYS A 66 3.617 1.097 -14.654 1.00 1.46 H new ATOM 0 HG3 LYS A 66 3.669 2.577 -13.716 1.00 1.46 H new ATOM 0 HD2 LYS A 66 6.203 2.153 -13.403 1.00 1.26 H new ATOM 0 HD3 LYS A 66 6.055 0.872 -14.590 1.00 1.26 H new ATOM 0 HE2 LYS A 66 5.182 2.475 -16.256 1.00 1.03 H new ATOM 0 HE3 LYS A 66 5.225 3.765 -15.069 1.00 1.03 H new ATOM 0 HZ1 LYS A 66 7.439 3.977 -15.291 1.00 1.70 H new ATOM 0 HZ2 LYS A 66 7.709 2.303 -15.193 1.00 1.70 H new ATOM 0 HZ3 LYS A 66 7.306 3.012 -16.682 1.00 1.70 H new ATOM 1053 N GLU A 67 3.571 -1.468 -10.860 1.00 0.87 N ATOM 1054 CA GLU A 67 3.126 -2.168 -9.619 1.00 0.91 C ATOM 1055 C GLU A 67 3.801 -3.516 -9.322 1.00 0.89 C ATOM 1056 O GLU A 67 4.135 -3.880 -8.208 1.00 0.91 O ATOM 1057 CB GLU A 67 1.631 -2.308 -9.788 1.00 1.10 C ATOM 1058 CG GLU A 67 0.786 -1.100 -9.203 1.00 1.14 C ATOM 1059 CD GLU A 67 1.019 0.330 -9.711 1.00 2.62 C ATOM 1060 OE1 GLU A 67 1.944 0.633 -10.433 1.00 4.57 O ATOM 1061 OE2 GLU A 67 0.192 1.121 -9.305 1.00 2.49 O ATOM 0 H GLU A 67 2.788 -1.107 -11.404 1.00 0.87 H new ATOM 0 HA GLU A 67 3.419 -1.585 -8.746 1.00 0.91 H new ATOM 0 HB2 GLU A 67 1.406 -2.411 -10.850 1.00 1.10 H new ATOM 0 HB3 GLU A 67 1.308 -3.229 -9.303 1.00 1.10 H new ATOM 0 HG2 GLU A 67 -0.266 -1.333 -9.368 1.00 1.14 H new ATOM 0 HG3 GLU A 67 0.944 -1.089 -8.125 1.00 1.14 H new ATOM 1068 N ASP A 68 3.986 -4.287 -10.343 1.00 0.82 N ATOM 1069 CA ASP A 68 4.632 -5.628 -10.205 1.00 0.68 C ATOM 1070 C ASP A 68 6.108 -5.457 -9.975 1.00 0.51 C ATOM 1071 O ASP A 68 6.699 -6.067 -9.100 1.00 0.46 O ATOM 1072 CB ASP A 68 4.233 -6.287 -11.481 1.00 1.01 C ATOM 1073 CG ASP A 68 2.698 -6.358 -11.582 1.00 1.57 C ATOM 1074 OD1 ASP A 68 2.033 -6.286 -10.551 1.00 2.30 O ATOM 1075 OD2 ASP A 68 2.324 -6.471 -12.732 1.00 3.04 O ATOM 0 H ASP A 68 3.713 -4.046 -11.296 1.00 0.82 H new ATOM 0 HA ASP A 68 4.330 -6.237 -9.353 1.00 0.68 H new ATOM 0 HB2 ASP A 68 4.636 -5.731 -12.328 1.00 1.01 H new ATOM 0 HB3 ASP A 68 4.655 -7.291 -11.529 1.00 1.01 H new ATOM 1080 N ALA A 69 6.622 -4.596 -10.799 1.00 0.47 N ATOM 1081 CA ALA A 69 8.071 -4.272 -10.726 1.00 0.37 C ATOM 1082 C ALA A 69 8.219 -3.779 -9.266 1.00 0.26 C ATOM 1083 O ALA A 69 9.205 -4.112 -8.647 1.00 0.26 O ATOM 1084 CB ALA A 69 8.398 -3.172 -11.735 1.00 0.30 C ATOM 0 H ALA A 69 6.102 -4.100 -11.523 1.00 0.47 H new ATOM 0 HA ALA A 69 8.741 -5.099 -10.961 1.00 0.37 H new ATOM 0 HB1 ALA A 69 9.460 -2.934 -11.682 1.00 0.30 H new ATOM 0 HB2 ALA A 69 8.153 -3.515 -12.740 1.00 0.30 H new ATOM 0 HB3 ALA A 69 7.814 -2.281 -11.504 1.00 0.30 H new ATOM 1090 N MET A 70 7.252 -3.017 -8.779 1.00 0.22 N ATOM 1091 CA MET A 70 7.316 -2.523 -7.370 1.00 0.15 C ATOM 1092 C MET A 70 7.364 -3.716 -6.425 1.00 0.24 C ATOM 1093 O MET A 70 8.327 -3.808 -5.708 1.00 0.21 O ATOM 1094 CB MET A 70 6.060 -1.653 -6.995 1.00 0.30 C ATOM 1095 CG MET A 70 6.026 -0.341 -7.775 1.00 0.29 C ATOM 1096 SD MET A 70 4.621 0.768 -7.521 1.00 0.72 S ATOM 1097 CE MET A 70 4.856 1.712 -9.048 1.00 0.17 C ATOM 0 H MET A 70 6.428 -2.722 -9.302 1.00 0.22 H new ATOM 0 HA MET A 70 8.209 -1.904 -7.278 1.00 0.15 H new ATOM 0 HB2 MET A 70 5.151 -2.220 -7.198 1.00 0.30 H new ATOM 0 HB3 MET A 70 6.071 -1.440 -5.926 1.00 0.30 H new ATOM 0 HG2 MET A 70 6.934 0.212 -7.536 1.00 0.29 H new ATOM 0 HG3 MET A 70 6.071 -0.584 -8.837 1.00 0.29 H new ATOM 0 HE1 MET A 70 4.988 2.767 -8.807 1.00 0.17 H new ATOM 0 HE2 MET A 70 5.740 1.346 -9.570 1.00 0.17 H new ATOM 0 HE3 MET A 70 3.982 1.593 -9.688 1.00 0.17 H new ATOM 1107 N LYS A 71 6.383 -4.583 -6.428 1.00 0.37 N ATOM 1108 CA LYS A 71 6.428 -5.754 -5.506 1.00 0.47 C ATOM 1109 C LYS A 71 7.818 -6.406 -5.527 1.00 0.38 C ATOM 1110 O LYS A 71 8.485 -6.465 -4.522 1.00 0.35 O ATOM 1111 CB LYS A 71 5.344 -6.749 -5.943 1.00 0.68 C ATOM 1112 CG LYS A 71 3.960 -6.145 -5.598 1.00 0.91 C ATOM 1113 CD LYS A 71 2.833 -7.127 -6.003 1.00 2.01 C ATOM 1114 CE LYS A 71 2.672 -7.249 -7.521 1.00 2.10 C ATOM 1115 NZ LYS A 71 2.157 -5.952 -8.074 1.00 1.92 N ATOM 0 H LYS A 71 5.558 -4.530 -7.026 1.00 0.37 H new ATOM 0 HA LYS A 71 6.239 -5.433 -4.482 1.00 0.47 H new ATOM 0 HB2 LYS A 71 5.417 -6.944 -7.013 1.00 0.68 H new ATOM 0 HB3 LYS A 71 5.479 -7.704 -5.435 1.00 0.68 H new ATOM 0 HG2 LYS A 71 3.903 -5.935 -4.530 1.00 0.91 H new ATOM 0 HG3 LYS A 71 3.829 -5.196 -6.117 1.00 0.91 H new ATOM 0 HD2 LYS A 71 3.046 -8.111 -5.584 1.00 2.01 H new ATOM 0 HD3 LYS A 71 1.891 -6.792 -5.568 1.00 2.01 H new ATOM 0 HE2 LYS A 71 3.629 -7.498 -7.980 1.00 2.10 H new ATOM 0 HE3 LYS A 71 1.983 -8.058 -7.761 1.00 2.10 H new ATOM 0 HZ1 LYS A 71 2.047 -6.033 -9.105 1.00 1.92 H new ATOM 0 HZ2 LYS A 71 1.236 -5.733 -7.644 1.00 1.92 H new ATOM 0 HZ3 LYS A 71 2.831 -5.190 -7.857 1.00 1.92 H new ATOM 1129 N ALA A 72 8.237 -6.863 -6.675 1.00 0.39 N ATOM 1130 CA ALA A 72 9.572 -7.511 -6.782 1.00 0.34 C ATOM 1131 C ALA A 72 10.672 -6.523 -6.271 1.00 0.32 C ATOM 1132 O ALA A 72 11.523 -6.895 -5.492 1.00 0.54 O ATOM 1133 CB ALA A 72 9.643 -7.900 -8.261 1.00 0.53 C ATOM 0 H ALA A 72 7.709 -6.815 -7.546 1.00 0.39 H new ATOM 0 HA ALA A 72 9.733 -8.395 -6.165 1.00 0.34 H new ATOM 0 HB1 ALA A 72 10.595 -8.392 -8.463 1.00 0.53 H new ATOM 0 HB2 ALA A 72 8.825 -8.581 -8.498 1.00 0.53 H new ATOM 0 HB3 ALA A 72 9.560 -7.005 -8.877 1.00 0.53 H new ATOM 1139 N TYR A 73 10.637 -5.287 -6.704 1.00 0.12 N ATOM 1140 CA TYR A 73 11.634 -4.265 -6.272 1.00 0.13 C ATOM 1141 C TYR A 73 11.747 -4.242 -4.751 1.00 0.11 C ATOM 1142 O TYR A 73 12.801 -4.421 -4.176 1.00 0.11 O ATOM 1143 CB TYR A 73 11.160 -2.918 -6.786 1.00 0.12 C ATOM 1144 CG TYR A 73 12.044 -1.790 -6.295 1.00 0.15 C ATOM 1145 CD1 TYR A 73 13.277 -1.610 -6.863 1.00 0.18 C ATOM 1146 CD2 TYR A 73 11.621 -0.937 -5.293 1.00 0.19 C ATOM 1147 CE1 TYR A 73 14.069 -0.588 -6.437 1.00 0.21 C ATOM 1148 CE2 TYR A 73 12.430 0.090 -4.875 1.00 0.23 C ATOM 1149 CZ TYR A 73 13.655 0.260 -5.452 1.00 0.25 C ATOM 1150 OH TYR A 73 14.466 1.287 -5.058 1.00 0.29 O ATOM 0 H TYR A 73 9.937 -4.937 -7.358 1.00 0.12 H new ATOM 0 HA TYR A 73 12.620 -4.501 -6.673 1.00 0.13 H new ATOM 0 HB2 TYR A 73 11.152 -2.926 -7.876 1.00 0.12 H new ATOM 0 HB3 TYR A 73 10.134 -2.745 -6.461 1.00 0.12 H new ATOM 0 HD1 TYR A 73 13.619 -2.274 -7.643 1.00 0.18 H new ATOM 0 HD2 TYR A 73 10.652 -1.079 -4.838 1.00 0.19 H new ATOM 0 HE1 TYR A 73 15.041 -0.446 -6.886 1.00 0.21 H new ATOM 0 HE2 TYR A 73 12.099 0.759 -4.095 1.00 0.23 H new ATOM 0 HH TYR A 73 15.193 1.397 -5.706 1.00 0.29 H new ATOM 1160 N ILE A 74 10.603 -4.015 -4.179 1.00 0.13 N ATOM 1161 CA ILE A 74 10.422 -3.933 -2.703 1.00 0.18 C ATOM 1162 C ILE A 74 10.849 -5.248 -2.085 1.00 0.24 C ATOM 1163 O ILE A 74 11.558 -5.240 -1.108 1.00 0.38 O ATOM 1164 CB ILE A 74 8.948 -3.653 -2.388 1.00 0.33 C ATOM 1165 CG1 ILE A 74 8.519 -2.298 -2.996 1.00 0.38 C ATOM 1166 CG2 ILE A 74 8.838 -3.538 -0.840 1.00 0.46 C ATOM 1167 CD1 ILE A 74 6.979 -2.204 -2.964 1.00 0.57 C ATOM 0 H ILE A 74 9.739 -3.875 -4.703 1.00 0.13 H new ATOM 0 HA ILE A 74 11.029 -3.127 -2.292 1.00 0.18 H new ATOM 0 HB ILE A 74 8.317 -4.443 -2.795 1.00 0.33 H new ATOM 0 HG12 ILE A 74 8.959 -1.475 -2.433 1.00 0.38 H new ATOM 0 HG13 ILE A 74 8.881 -2.212 -4.021 1.00 0.38 H new ATOM 0 HG21 ILE A 74 7.803 -3.338 -0.563 1.00 0.46 H new ATOM 0 HG22 ILE A 74 9.162 -4.472 -0.382 1.00 0.46 H new ATOM 0 HG23 ILE A 74 9.472 -2.723 -0.490 1.00 0.46 H new ATOM 0 HD11 ILE A 74 6.664 -1.252 -3.391 1.00 0.57 H new ATOM 0 HD12 ILE A 74 6.552 -3.021 -3.546 1.00 0.57 H new ATOM 0 HD13 ILE A 74 6.632 -2.273 -1.933 1.00 0.57 H new ATOM 1179 N ASP A 75 10.433 -6.342 -2.650 1.00 0.19 N ATOM 1180 CA ASP A 75 10.796 -7.693 -2.129 1.00 0.24 C ATOM 1181 C ASP A 75 12.304 -7.885 -2.248 1.00 0.21 C ATOM 1182 O ASP A 75 12.924 -8.595 -1.478 1.00 0.31 O ATOM 1183 CB ASP A 75 10.033 -8.711 -2.961 1.00 0.29 C ATOM 1184 CG ASP A 75 8.743 -9.169 -2.291 1.00 0.20 C ATOM 1185 OD1 ASP A 75 8.692 -9.212 -1.071 1.00 1.60 O ATOM 1186 OD2 ASP A 75 7.867 -9.462 -3.085 1.00 1.53 O ATOM 0 H ASP A 75 9.837 -6.360 -3.478 1.00 0.19 H new ATOM 0 HA ASP A 75 10.533 -7.811 -1.078 1.00 0.24 H new ATOM 0 HB2 ASP A 75 9.799 -8.277 -3.933 1.00 0.29 H new ATOM 0 HB3 ASP A 75 10.670 -9.576 -3.143 1.00 0.29 H new ATOM 1191 N LYS A 76 12.877 -7.210 -3.208 1.00 0.19 N ATOM 1192 CA LYS A 76 14.336 -7.343 -3.390 1.00 0.19 C ATOM 1193 C LYS A 76 14.862 -6.498 -2.229 1.00 0.22 C ATOM 1194 O LYS A 76 15.692 -6.979 -1.490 1.00 0.31 O ATOM 1195 CB LYS A 76 14.712 -6.786 -4.769 1.00 0.18 C ATOM 1196 CG LYS A 76 16.162 -7.187 -5.077 1.00 0.34 C ATOM 1197 CD LYS A 76 16.201 -8.732 -5.273 1.00 0.72 C ATOM 1198 CE LYS A 76 17.585 -9.172 -5.554 1.00 1.69 C ATOM 1199 NZ LYS A 76 17.677 -10.637 -5.295 1.00 1.52 N ATOM 0 H LYS A 76 12.402 -6.585 -3.859 1.00 0.19 H new ATOM 0 HA LYS A 76 14.738 -8.356 -3.373 1.00 0.19 H new ATOM 0 HB2 LYS A 76 14.040 -7.179 -5.532 1.00 0.18 H new ATOM 0 HB3 LYS A 76 14.608 -5.701 -4.781 1.00 0.18 H new ATOM 0 HG2 LYS A 76 16.516 -6.680 -5.975 1.00 0.34 H new ATOM 0 HG3 LYS A 76 16.821 -6.889 -4.262 1.00 0.34 H new ATOM 0 HD2 LYS A 76 15.827 -9.230 -4.378 1.00 0.72 H new ATOM 0 HD3 LYS A 76 15.545 -9.019 -6.095 1.00 0.72 H new ATOM 0 HE2 LYS A 76 17.850 -8.953 -6.588 1.00 1.69 H new ATOM 0 HE3 LYS A 76 18.290 -8.631 -4.923 1.00 1.69 H new ATOM 0 HZ1 LYS A 76 18.463 -11.038 -5.845 1.00 1.52 H new ATOM 0 HZ2 LYS A 76 17.844 -10.801 -4.282 1.00 1.52 H new ATOM 0 HZ3 LYS A 76 16.788 -11.096 -5.577 1.00 1.52 H new ATOM 1213 N VAL A 77 14.393 -5.279 -2.080 1.00 0.15 N ATOM 1214 CA VAL A 77 14.871 -4.431 -0.935 1.00 0.20 C ATOM 1215 C VAL A 77 14.748 -5.377 0.284 1.00 0.32 C ATOM 1216 O VAL A 77 15.726 -5.587 0.967 1.00 0.39 O ATOM 1217 CB VAL A 77 13.967 -3.177 -0.810 1.00 0.11 C ATOM 1218 CG1 VAL A 77 14.535 -2.318 0.348 1.00 0.21 C ATOM 1219 CG2 VAL A 77 14.112 -2.350 -2.105 1.00 0.12 C ATOM 0 H VAL A 77 13.708 -4.838 -2.693 1.00 0.15 H new ATOM 0 HA VAL A 77 15.887 -4.051 -1.045 1.00 0.20 H new ATOM 0 HB VAL A 77 12.928 -3.457 -0.638 1.00 0.11 H new ATOM 0 HG11 VAL A 77 13.925 -1.423 0.470 1.00 0.21 H new ATOM 0 HG12 VAL A 77 14.519 -2.896 1.272 1.00 0.21 H new ATOM 0 HG13 VAL A 77 15.561 -2.030 0.118 1.00 0.21 H new ATOM 0 HG21 VAL A 77 13.484 -1.461 -2.041 1.00 0.12 H new ATOM 0 HG22 VAL A 77 15.153 -2.051 -2.231 1.00 0.12 H new ATOM 0 HG23 VAL A 77 13.801 -2.953 -2.958 1.00 0.12 H new ATOM 1229 N GLU A 78 13.600 -5.960 0.575 1.00 0.33 N ATOM 1230 CA GLU A 78 13.506 -6.897 1.749 1.00 0.33 C ATOM 1231 C GLU A 78 14.686 -7.898 1.657 1.00 0.27 C ATOM 1232 O GLU A 78 15.395 -8.030 2.631 1.00 0.23 O ATOM 1233 CB GLU A 78 12.127 -7.629 1.724 1.00 0.51 C ATOM 1234 CG GLU A 78 11.307 -7.337 3.055 1.00 1.35 C ATOM 1235 CD GLU A 78 11.752 -8.186 4.263 1.00 4.09 C ATOM 1236 OE1 GLU A 78 11.636 -9.394 4.134 1.00 6.06 O ATOM 1237 OE2 GLU A 78 12.191 -7.614 5.251 1.00 4.04 O ATOM 0 H GLU A 78 12.733 -5.828 0.055 1.00 0.33 H new ATOM 0 HA GLU A 78 13.572 -6.355 2.692 1.00 0.33 H new ATOM 0 HB2 GLU A 78 11.552 -7.301 0.858 1.00 0.51 H new ATOM 0 HB3 GLU A 78 12.282 -8.702 1.615 1.00 0.51 H new ATOM 0 HG2 GLU A 78 11.408 -6.282 3.308 1.00 1.35 H new ATOM 0 HG3 GLU A 78 10.249 -7.519 2.866 1.00 1.35 H new ATOM 1244 N GLU A 79 14.872 -8.614 0.571 1.00 0.29 N ATOM 1245 CA GLU A 79 16.047 -9.574 0.453 1.00 0.26 C ATOM 1246 C GLU A 79 17.380 -8.915 0.898 1.00 0.25 C ATOM 1247 O GLU A 79 18.154 -9.438 1.681 1.00 0.33 O ATOM 1248 CB GLU A 79 16.330 -10.008 -0.991 1.00 0.17 C ATOM 1249 CG GLU A 79 15.534 -11.206 -1.520 1.00 0.64 C ATOM 1250 CD GLU A 79 16.041 -11.477 -2.934 1.00 3.07 C ATOM 1251 OE1 GLU A 79 17.230 -11.759 -3.036 1.00 4.54 O ATOM 1252 OE2 GLU A 79 15.260 -11.387 -3.865 1.00 4.61 O ATOM 0 H GLU A 79 14.264 -8.583 -0.248 1.00 0.29 H new ATOM 0 HA GLU A 79 15.752 -10.415 1.081 1.00 0.26 H new ATOM 0 HB2 GLU A 79 16.139 -9.157 -1.645 1.00 0.17 H new ATOM 0 HB3 GLU A 79 17.391 -10.242 -1.074 1.00 0.17 H new ATOM 0 HG2 GLU A 79 15.678 -12.079 -0.883 1.00 0.64 H new ATOM 0 HG3 GLU A 79 14.466 -10.989 -1.526 1.00 0.64 H new ATOM 1259 N LEU A 80 17.602 -7.755 0.341 1.00 0.23 N ATOM 1260 CA LEU A 80 18.841 -6.980 0.635 1.00 0.31 C ATOM 1261 C LEU A 80 18.989 -6.841 2.126 1.00 0.36 C ATOM 1262 O LEU A 80 20.040 -7.138 2.646 1.00 0.40 O ATOM 1263 CB LEU A 80 18.756 -5.595 -0.039 1.00 0.33 C ATOM 1264 CG LEU A 80 18.785 -5.711 -1.574 1.00 0.36 C ATOM 1265 CD1 LEU A 80 18.785 -4.286 -2.150 1.00 0.65 C ATOM 1266 CD2 LEU A 80 20.071 -6.398 -2.056 1.00 0.54 C ATOM 0 H LEU A 80 16.966 -7.305 -0.317 1.00 0.23 H new ATOM 0 HA LEU A 80 19.713 -7.501 0.240 1.00 0.31 H new ATOM 0 HB2 LEU A 80 17.839 -5.094 0.272 1.00 0.33 H new ATOM 0 HB3 LEU A 80 19.588 -4.975 0.296 1.00 0.33 H new ATOM 0 HG LEU A 80 17.924 -6.295 -1.898 1.00 0.36 H new ATOM 0 HD11 LEU A 80 18.805 -4.334 -3.239 1.00 0.65 H new ATOM 0 HD12 LEU A 80 17.885 -3.763 -1.826 1.00 0.65 H new ATOM 0 HD13 LEU A 80 19.664 -3.750 -1.794 1.00 0.65 H new ATOM 0 HD21 LEU A 80 20.062 -6.465 -3.144 1.00 0.54 H new ATOM 0 HD22 LEU A 80 20.936 -5.817 -1.736 1.00 0.54 H new ATOM 0 HD23 LEU A 80 20.129 -7.400 -1.631 1.00 0.54 H new ATOM 1278 N LYS A 81 17.953 -6.386 2.767 1.00 0.37 N ATOM 1279 CA LYS A 81 17.933 -6.205 4.247 1.00 0.44 C ATOM 1280 C LYS A 81 18.832 -7.248 4.966 1.00 0.30 C ATOM 1281 O LYS A 81 19.731 -6.941 5.720 1.00 0.41 O ATOM 1282 CB LYS A 81 16.446 -6.291 4.606 1.00 0.71 C ATOM 1283 CG LYS A 81 16.124 -5.852 6.034 1.00 0.88 C ATOM 1284 CD LYS A 81 14.624 -6.149 6.205 1.00 1.37 C ATOM 1285 CE LYS A 81 14.113 -5.658 7.543 1.00 2.00 C ATOM 1286 NZ LYS A 81 12.724 -6.196 7.688 1.00 4.25 N ATOM 0 H LYS A 81 17.082 -6.121 2.308 1.00 0.37 H new ATOM 0 HA LYS A 81 18.356 -5.256 4.577 1.00 0.44 H new ATOM 0 HB2 LYS A 81 15.879 -5.673 3.910 1.00 0.71 H new ATOM 0 HB3 LYS A 81 16.108 -7.318 4.468 1.00 0.71 H new ATOM 0 HG2 LYS A 81 16.722 -6.401 6.761 1.00 0.88 H new ATOM 0 HG3 LYS A 81 16.337 -4.793 6.180 1.00 0.88 H new ATOM 0 HD2 LYS A 81 14.063 -5.671 5.402 1.00 1.37 H new ATOM 0 HD3 LYS A 81 14.452 -7.222 6.119 1.00 1.37 H new ATOM 0 HE2 LYS A 81 14.751 -6.007 8.354 1.00 2.00 H new ATOM 0 HE3 LYS A 81 14.114 -4.569 7.583 1.00 2.00 H new ATOM 0 HZ1 LYS A 81 12.058 -5.408 7.819 1.00 4.25 H new ATOM 0 HZ2 LYS A 81 12.467 -6.728 6.832 1.00 4.25 H new ATOM 0 HZ3 LYS A 81 12.681 -6.827 8.514 1.00 4.25 H new ATOM 1300 N LYS A 82 18.530 -8.485 4.684 1.00 0.51 N ATOM 1301 CA LYS A 82 19.258 -9.667 5.250 1.00 0.71 C ATOM 1302 C LYS A 82 20.762 -9.671 5.011 1.00 0.71 C ATOM 1303 O LYS A 82 21.566 -9.989 5.862 1.00 0.78 O ATOM 1304 CB LYS A 82 18.681 -10.982 4.653 1.00 0.85 C ATOM 1305 CG LYS A 82 17.215 -11.177 5.086 1.00 1.07 C ATOM 1306 CD LYS A 82 16.258 -10.717 3.965 1.00 1.27 C ATOM 1307 CE LYS A 82 14.841 -10.574 4.516 1.00 1.66 C ATOM 1308 NZ LYS A 82 13.962 -10.086 3.414 1.00 2.87 N ATOM 0 H LYS A 82 17.770 -8.740 4.053 1.00 0.51 H new ATOM 0 HA LYS A 82 19.104 -9.597 6.327 1.00 0.71 H new ATOM 0 HB2 LYS A 82 18.744 -10.952 3.565 1.00 0.85 H new ATOM 0 HB3 LYS A 82 19.279 -11.831 4.983 1.00 0.85 H new ATOM 0 HG2 LYS A 82 17.034 -12.226 5.319 1.00 1.07 H new ATOM 0 HG3 LYS A 82 17.019 -10.610 5.996 1.00 1.07 H new ATOM 0 HD2 LYS A 82 16.596 -9.765 3.555 1.00 1.27 H new ATOM 0 HD3 LYS A 82 16.268 -11.438 3.148 1.00 1.27 H new ATOM 0 HE2 LYS A 82 14.481 -11.531 4.894 1.00 1.66 H new ATOM 0 HE3 LYS A 82 14.827 -9.875 5.352 1.00 1.66 H new ATOM 0 HZ1 LYS A 82 12.975 -10.342 3.618 1.00 2.87 H new ATOM 0 HZ2 LYS A 82 14.043 -9.052 3.338 1.00 2.87 H new ATOM 0 HZ3 LYS A 82 14.255 -10.523 2.517 1.00 2.87 H new ATOM 1322 N LYS A 83 21.059 -9.318 3.805 1.00 0.72 N ATOM 1323 CA LYS A 83 22.476 -9.250 3.326 1.00 0.83 C ATOM 1324 C LYS A 83 23.229 -7.956 3.719 1.00 1.02 C ATOM 1325 O LYS A 83 24.325 -7.990 4.241 1.00 1.46 O ATOM 1326 CB LYS A 83 22.424 -9.401 1.777 1.00 0.58 C ATOM 1327 CG LYS A 83 21.720 -10.713 1.351 1.00 0.72 C ATOM 1328 CD LYS A 83 20.932 -10.463 0.016 1.00 0.64 C ATOM 1329 CE LYS A 83 20.239 -11.743 -0.424 1.00 1.01 C ATOM 1330 NZ LYS A 83 19.452 -11.441 -1.659 1.00 1.87 N ATOM 0 H LYS A 83 20.366 -9.064 3.101 1.00 0.72 H new ATOM 0 HA LYS A 83 23.042 -10.046 3.809 1.00 0.83 H new ATOM 0 HB2 LYS A 83 21.897 -8.549 1.346 1.00 0.58 H new ATOM 0 HB3 LYS A 83 23.437 -9.385 1.376 1.00 0.58 H new ATOM 0 HG2 LYS A 83 22.455 -11.506 1.211 1.00 0.72 H new ATOM 0 HG3 LYS A 83 21.038 -11.045 2.134 1.00 0.72 H new ATOM 0 HD2 LYS A 83 20.196 -9.672 0.161 1.00 0.64 H new ATOM 0 HD3 LYS A 83 21.616 -10.124 -0.762 1.00 0.64 H new ATOM 0 HE2 LYS A 83 20.972 -12.525 -0.621 1.00 1.01 H new ATOM 0 HE3 LYS A 83 19.584 -12.112 0.365 1.00 1.01 H new ATOM 0 HZ1 LYS A 83 18.532 -11.923 -1.610 1.00 1.87 H new ATOM 0 HZ2 LYS A 83 19.302 -10.414 -1.733 1.00 1.87 H new ATOM 0 HZ3 LYS A 83 19.974 -11.776 -2.494 1.00 1.87 H new ATOM 1344 N TYR A 84 22.606 -6.854 3.448 1.00 0.90 N ATOM 1345 CA TYR A 84 23.182 -5.505 3.742 1.00 1.44 C ATOM 1346 C TYR A 84 22.573 -4.675 4.903 1.00 2.21 C ATOM 1347 O TYR A 84 23.225 -3.771 5.393 1.00 3.79 O ATOM 1348 CB TYR A 84 23.084 -4.755 2.428 1.00 1.34 C ATOM 1349 CG TYR A 84 23.640 -5.554 1.235 1.00 1.02 C ATOM 1350 CD1 TYR A 84 24.987 -5.536 0.936 1.00 2.16 C ATOM 1351 CD2 TYR A 84 22.781 -6.292 0.433 1.00 2.83 C ATOM 1352 CE1 TYR A 84 25.463 -6.244 -0.150 1.00 2.15 C ATOM 1353 CE2 TYR A 84 23.268 -6.999 -0.656 1.00 2.71 C ATOM 1354 CZ TYR A 84 24.614 -6.974 -0.949 1.00 0.68 C ATOM 1355 OH TYR A 84 25.117 -7.651 -2.041 1.00 0.56 O ATOM 0 H TYR A 84 21.682 -6.823 3.017 1.00 0.90 H new ATOM 0 HA TYR A 84 24.193 -5.658 4.120 1.00 1.44 H new ATOM 0 HB2 TYR A 84 22.041 -4.505 2.236 1.00 1.34 H new ATOM 0 HB3 TYR A 84 23.627 -3.814 2.512 1.00 1.34 H new ATOM 0 HD1 TYR A 84 25.669 -4.968 1.551 1.00 2.16 H new ATOM 0 HD2 TYR A 84 21.725 -6.316 0.659 1.00 2.83 H new ATOM 0 HE1 TYR A 84 26.519 -6.224 -0.376 1.00 2.15 H new ATOM 0 HE2 TYR A 84 22.592 -7.570 -1.275 1.00 2.71 H new ATOM 0 HH TYR A 84 24.388 -8.118 -2.500 1.00 0.56 H new ATOM 1365 N GLY A 85 21.370 -4.971 5.308 1.00 1.23 N ATOM 1366 CA GLY A 85 20.703 -4.223 6.422 1.00 1.80 C ATOM 1367 C GLY A 85 19.288 -3.815 6.044 1.00 2.63 C ATOM 1368 O GLY A 85 18.385 -4.043 6.825 1.00 4.09 O ATOM 0 H GLY A 85 20.804 -5.718 4.906 1.00 1.23 H new ATOM 0 HA2 GLY A 85 20.678 -4.845 7.317 1.00 1.80 H new ATOM 0 HA3 GLY A 85 21.286 -3.336 6.667 1.00 1.80 H new ATOM 1372 N ILE A 86 19.101 -3.226 4.883 1.00 2.76 N ATOM 1373 CA ILE A 86 17.739 -2.807 4.474 1.00 3.98 C ATOM 1374 C ILE A 86 17.566 -2.761 2.926 1.00 6.20 C ATOM 1375 O ILE A 86 17.121 -1.792 2.328 1.00 7.04 O ATOM 1376 CB ILE A 86 17.584 -1.490 5.260 1.00 2.12 C ATOM 1377 CG1 ILE A 86 16.096 -1.227 5.289 1.00 3.38 C ATOM 1378 CG2 ILE A 86 18.353 -0.282 4.622 1.00 2.21 C ATOM 1379 CD1 ILE A 86 15.753 -0.131 6.303 1.00 3.12 C ATOM 1380 OXT ILE A 86 17.911 -3.805 2.404 1.00 7.74 O ATOM 0 H ILE A 86 19.839 -3.022 4.209 1.00 2.76 H new ATOM 0 HA ILE A 86 16.929 -3.496 4.712 1.00 3.98 H new ATOM 0 HB ILE A 86 18.020 -1.590 6.254 1.00 2.12 H new ATOM 0 HG12 ILE A 86 15.756 -0.929 4.297 1.00 3.38 H new ATOM 0 HG13 ILE A 86 15.566 -2.144 5.546 1.00 3.38 H new ATOM 0 HG21 ILE A 86 18.198 0.610 5.229 1.00 2.21 H new ATOM 0 HG22 ILE A 86 19.418 -0.511 4.579 1.00 2.21 H new ATOM 0 HG23 ILE A 86 17.979 -0.104 3.614 1.00 2.21 H new ATOM 0 HD11 ILE A 86 14.676 0.039 6.304 1.00 3.12 H new ATOM 0 HD12 ILE A 86 16.072 -0.443 7.297 1.00 3.12 H new ATOM 0 HD13 ILE A 86 16.266 0.791 6.029 1.00 3.12 H new TER 1392 ILE A 86 HETATM 1393 N1A COA A 87 16.216 2.372 -7.053 1.00 0.56 N HETATM 1394 C2A COA A 87 17.020 2.092 -8.081 1.00 0.59 C HETATM 1395 N3A COA A 87 17.737 2.949 -8.806 1.00 0.78 N HETATM 1396 C4A COA A 87 17.578 4.233 -8.385 1.00 0.97 C HETATM 1397 C5A COA A 87 16.789 4.668 -7.355 1.00 0.97 C HETATM 1398 C6A COA A 87 16.086 3.658 -6.673 1.00 0.76 C HETATM 1399 N6A COA A 87 15.296 3.910 -5.649 1.00 0.74 N HETATM 1400 N7A COA A 87 16.870 6.046 -7.213 1.00 1.20 N HETATM 1401 C8A COA A 87 17.706 6.390 -8.159 1.00 1.32 C HETATM 1402 N9A COA A 87 18.172 5.341 -8.906 1.00 1.19 N HETATM 1403 C1B COA A 87 19.139 5.329 -10.016 1.00 1.27 C HETATM 1404 C2B COA A 87 19.282 6.642 -10.793 1.00 1.06 C HETATM 1405 O2B COA A 87 18.375 6.645 -11.910 1.00 1.17 O HETATM 1406 C3B COA A 87 20.723 6.524 -11.270 1.00 1.11 C HETATM 1407 O3B COA A 87 20.830 5.579 -12.383 1.00 1.39 O HETATM 1408 P3B COA A 87 20.795 5.878 -13.969 1.00 1.31 P HETATM 1409 O7A COA A 87 20.525 4.546 -14.504 1.00 1.43 O HETATM 1410 O8A COA A 87 22.127 6.364 -14.363 1.00 1.81 O HETATM 1411 O9A COA A 87 19.625 6.745 -14.186 1.00 2.51 O HETATM 1412 C4B COA A 87 21.378 5.898 -10.010 1.00 1.22 C HETATM 1413 O4B COA A 87 20.394 5.077 -9.379 1.00 1.33 O HETATM 1414 C5B COA A 87 21.873 6.908 -8.907 1.00 1.02 C HETATM 1415 O5B COA A 87 20.913 7.822 -8.315 1.00 0.73 O HETATM 1416 P1A COA A 87 21.020 9.441 -8.418 1.00 1.54 P HETATM 1417 O1A COA A 87 22.385 9.867 -8.044 1.00 2.98 O HETATM 1418 O2A COA A 87 20.499 9.832 -9.740 1.00 2.55 O HETATM 1419 O3A COA A 87 19.966 9.955 -7.387 1.00 2.90 O HETATM 1420 P2A COA A 87 20.368 10.104 -5.889 1.00 2.14 P HETATM 1421 O4A COA A 87 21.508 11.022 -5.699 1.00 1.53 O HETATM 1422 O5A COA A 87 19.096 10.423 -5.198 1.00 1.92 O HETATM 1423 O6A COA A 87 20.745 8.622 -5.298 1.00 2.90 O HETATM 1424 CBP COA A 87 22.867 7.255 -4.899 1.00 1.76 C HETATM 1425 CCP COA A 87 21.805 8.298 -4.337 1.00 1.58 C HETATM 1426 CDP COA A 87 23.661 7.893 -6.060 1.00 1.71 C HETATM 1427 CEP COA A 87 22.103 6.027 -5.388 1.00 2.41 C HETATM 1428 CAP COA A 87 23.853 6.771 -3.799 1.00 1.54 C HETATM 1429 OAP COA A 87 24.403 7.964 -3.248 1.00 0.85 O HETATM 1430 C9P COA A 87 24.977 5.777 -4.292 1.00 3.56 C HETATM 1431 O9P COA A 87 25.066 5.273 -5.400 1.00 5.84 O HETATM 1432 N8P COA A 87 25.817 5.547 -3.329 1.00 3.23 N HETATM 1433 C7P COA A 87 27.015 4.648 -3.447 1.00 5.25 C HETATM 1434 C6P COA A 87 28.029 5.100 -2.312 1.00 4.74 C HETATM 1435 C5P COA A 87 27.134 5.204 -1.087 1.00 2.72 C HETATM 1436 O5P COA A 87 26.918 6.240 -0.500 1.00 3.99 O HETATM 1437 N4P COA A 87 26.643 4.043 -0.782 1.00 0.77 N HETATM 1438 C3P COA A 87 25.706 3.770 0.343 1.00 2.49 C HETATM 1439 C2P COA A 87 24.588 3.301 -0.566 1.00 3.66 C HETATM 1440 S1P COA A 87 22.935 2.705 -0.151 1.00 5.57 S HETATM 0 HO2A COA A 87 18.832 6.998 -12.702 1.00 1.17 H new HETATM 0 H62A COA A 87 15.168 4.870 -5.327 1.00 0.74 H new HETATM 0 H61A COA A 87 14.812 3.146 -5.178 1.00 0.74 H new HETATM 0 H52A COA A 87 22.315 6.324 -8.099 1.00 1.02 H new HETATM 0 H51A COA A 87 22.673 7.506 -9.342 1.00 1.02 H new HETATM 0 H143 COA A 87 21.547 5.590 -4.558 1.00 2.41 H new HETATM 0 H142 COA A 87 21.409 6.320 -6.175 1.00 2.41 H new HETATM 0 H141 COA A 87 22.807 5.293 -5.780 1.00 2.41 H new HETATM 0 H133 COA A 87 22.975 8.175 -6.859 1.00 1.71 H new HETATM 0 H132 COA A 87 24.182 8.780 -5.700 1.00 1.71 H new HETATM 0 H131 COA A 87 24.387 7.175 -6.442 1.00 1.71 H new HETATM 0 H122 COA A 87 22.322 9.215 -4.054 1.00 1.58 H new HETATM 0 H121 COA A 87 21.353 7.894 -3.431 1.00 1.58 H new HETATM 0 HO1 COA A 87 24.630 7.815 -2.306 1.00 0.85 H new HETATM 0 HN8 COA A 87 25.653 6.007 -2.433 1.00 3.23 H new HETATM 0 HN4 COA A 87 26.922 3.251 -1.361 1.00 0.77 H new HETATM 0 H8A COA A 87 18.006 7.423 -8.337 1.00 1.32 H new HETATM 0 H72 COA A 87 26.731 3.603 -3.320 1.00 5.25 H new HETATM 0 H71 COA A 87 27.471 4.737 -4.433 1.00 5.25 H new HETATM 0 H62 COA A 87 28.828 4.372 -2.169 1.00 4.74 H new HETATM 0 H61 COA A 87 28.504 6.052 -2.549 1.00 4.74 H new HETATM 0 H4B COA A 87 22.262 5.377 -10.376 1.00 1.22 H new HETATM 0 H3B COA A 87 21.158 7.460 -11.622 1.00 1.11 H new HETATM 0 H32 COA A 87 26.059 3.009 1.039 1.00 2.49 H new HETATM 0 H31 COA A 87 25.456 4.651 0.934 1.00 2.49 H new HETATM 0 H2B COA A 87 19.065 7.548 -10.227 1.00 1.06 H new HETATM 0 H2A COA A 87 17.099 1.041 -8.359 1.00 0.59 H new HETATM 0 H22 COA A 87 24.417 4.136 -1.245 1.00 3.66 H new HETATM 0 H21 COA A 87 25.031 2.497 -1.154 1.00 3.66 H new HETATM 0 H1B COA A 87 18.805 4.597 -10.752 1.00 1.27 H new HETATM 0 H10 COA A 87 23.316 6.169 -3.066 1.00 1.54 H new HETATM 1472 C1 PLM A 88 22.700 1.794 -1.707 1.00 3.36 C HETATM 1473 O2 PLM A 88 22.247 0.671 -1.761 1.00 4.27 O HETATM 1474 C2 PLM A 88 23.131 2.547 -2.998 1.00 1.68 C HETATM 1475 C3 PLM A 88 23.112 1.647 -4.221 1.00 0.87 C HETATM 1476 C4 PLM A 88 21.640 1.423 -4.671 1.00 0.72 C HETATM 1477 C5 PLM A 88 21.695 1.340 -6.131 1.00 0.52 C HETATM 1478 C6 PLM A 88 20.278 1.335 -6.665 1.00 1.22 C HETATM 1479 C7 PLM A 88 20.340 0.941 -8.136 1.00 0.51 C HETATM 1480 C8 PLM A 88 21.224 1.965 -8.932 1.00 1.55 C HETATM 1481 C9 PLM A 88 22.562 1.276 -9.287 1.00 0.89 C HETATM 1482 CA PLM A 88 23.596 2.274 -9.872 1.00 0.31 C HETATM 1483 CB PLM A 88 25.029 1.648 -10.011 1.00 0.88 C HETATM 1484 CC PLM A 88 25.101 0.453 -11.007 1.00 0.43 C HETATM 1485 CD PLM A 88 24.669 -0.871 -10.327 1.00 1.02 C HETATM 1486 CE PLM A 88 24.439 -1.940 -11.393 1.00 0.33 C HETATM 1487 CF PLM A 88 25.661 -2.193 -12.308 1.00 0.65 C HETATM 1488 CG PLM A 88 26.935 -2.573 -11.579 1.00 1.62 C HETATM 0 HG3 PLM A 88 27.216 -1.772 -10.896 1.00 1.62 H new HETATM 0 HG2 PLM A 88 26.771 -3.491 -11.014 1.00 1.62 H new HETATM 0 HG1 PLM A 88 27.735 -2.730 -12.302 1.00 1.62 H new HETATM 0 HF2 PLM A 88 25.412 -2.987 -13.012 1.00 0.65 H new HETATM 0 HF1 PLM A 88 25.850 -1.294 -12.895 1.00 0.65 H new HETATM 0 HE2 PLM A 88 24.166 -2.874 -10.902 1.00 0.33 H new HETATM 0 HE1 PLM A 88 23.591 -1.645 -12.011 1.00 0.33 H new HETATM 0 HD2 PLM A 88 25.437 -1.200 -9.627 1.00 1.02 H new HETATM 0 HD1 PLM A 88 23.757 -0.715 -9.750 1.00 1.02 H new HETATM 0 HC2 PLM A 88 24.457 0.651 -11.864 1.00 0.43 H new HETATM 0 HC1 PLM A 88 26.118 0.354 -11.388 1.00 0.43 H new HETATM 0 HB2 PLM A 88 25.723 2.423 -10.337 1.00 0.88 H new HETATM 0 HB1 PLM A 88 25.365 1.312 -9.030 1.00 0.88 H new HETATM 0 HA2 PLM A 88 23.255 2.612 -10.850 1.00 0.31 H new HETATM 0 HA1 PLM A 88 23.649 3.154 -9.231 1.00 0.31 H new HETATM 0 H92 PLM A 88 22.976 0.808 -8.394 1.00 0.89 H new HETATM 0 H91 PLM A 88 22.379 0.480 -10.009 1.00 0.89 H new HETATM 0 H82 PLM A 88 20.710 2.287 -9.838 1.00 1.55 H new HETATM 0 H81 PLM A 88 21.404 2.858 -8.333 1.00 1.55 H new HETATM 0 H72 PLM A 88 20.754 -0.062 -8.235 1.00 0.51 H new HETATM 0 H71 PLM A 88 19.334 0.913 -8.556 1.00 0.51 H new HETATM 0 H62 PLM A 88 19.661 0.632 -6.106 1.00 1.22 H new HETATM 0 H61 PLM A 88 19.823 2.319 -6.551 1.00 1.22 H new HETATM 0 H52 PLM A 88 22.250 2.185 -6.538 1.00 0.52 H new HETATM 0 H51 PLM A 88 22.219 0.436 -6.440 1.00 0.52 H new HETATM 0 H42 PLM A 88 21.231 0.510 -4.240 1.00 0.72 H new HETATM 0 H41 PLM A 88 21.000 2.243 -4.347 1.00 0.72 H new HETATM 0 H32 PLM A 88 23.687 2.100 -5.029 1.00 0.87 H new HETATM 0 H31 PLM A 88 23.584 0.692 -3.991 1.00 0.87 H new HETATM 0 H22 PLM A 88 22.465 3.394 -3.162 1.00 1.68 H new HETATM 0 H21 PLM A 88 24.134 2.952 -2.863 1.00 1.68 H new