USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=33 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 59 ASN : amide:sc= 1.04 K(o=2.6,f=-8.3!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -153:sc= 1.58 (180deg=0.38) USER MOD Set 2.1: A 28 TYR OH : rot 76:sc= 1.55 USER MOD Set 2.2: A 32 LYS NZ :NH3+ 179:sc= 0.255 (180deg=0) USER MOD Set 3.1: A 29 SER OG : rot -80:sc= 1.13 USER MOD Set 3.2: A 30 HIS : no HE2:sc= -1.64 K(o=-0.51,f=-10!) USER MOD Single : A 1 SER N :NH3+ 147:sc= 0.012 (180deg=-0.286) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN :FLIP amide:sc= -1.89! C(o=-6.2!,f=-1.9!) USER MOD Single : A 7 LYS NZ :NH3+ -109:sc= 1.17 (180deg=-0.119) USER MOD Single : A 13 LYS NZ :NH3+ -111:sc= 1.21 (180deg=-0.0886) USER MOD Single : A 14 HIS : no HE2:sc= 0.256 K(o=0.26,f=-5!) USER MOD Single : A 16 LYS NZ :NH3+ -113:sc= 0.0456! (180deg=-2.91!) USER MOD Single : A 17 THR OG1 : rot 180:sc=-0.00477 USER MOD Single : A 18 LYS NZ :NH3+ -132:sc= 2.48 (180deg=-0.287) USER MOD Single : A 24 MET CE :methyl -115:sc= -2.52 (180deg=-5.65!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -5.53! C(o=-5.5!,f=-6.1!) USER MOD Single : A 35 THR OG1 : rot -86:sc= 1.09 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.921 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -159:sc= -4.58! (180deg=-5.05!) USER MOD Single : A 52 LYS NZ :NH3+ 179:sc= 0.615 (180deg=0.603) USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= -3.2! (180deg=-3.7!) USER MOD Single : A 64 THR OG1 : rot -150:sc= -0.0596 USER MOD Single : A 65 SER OG : rot 126:sc= 1.05 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -157:sc= -0.355 (180deg=-1.25) USER MOD Single : A 71 LYS NZ :NH3+ -112:sc= -0.66 (180deg=-2.6!) USER MOD Single : A 73 TYR OH : rot 13:sc= 0.128! USER MOD Single : A 76 LYS NZ :NH3+ 145:sc= 0.629 (180deg=-0.0467) USER MOD Single : A 81 LYS NZ :NH3+ 173:sc= 0.409 (180deg=-0.225!) USER MOD Single : A 82 LYS NZ :NH3+ 161:sc= -1.19 (180deg=-2.11) USER MOD Single : A 83 LYS NZ :NH3+ -120:sc= -1.05 (180deg=-4.12!) USER MOD Single : A 84 TYR OH : rot 158:sc= 1.16 USER MOD Single : A 87 COA O2B : rot -86:sc= 0.192 USER MOD Single : A 87 COA OAP : rot -15:sc= 0.361 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.873 5.782 -6.705 1.00 4.92 N ATOM 2 CA SER A 1 3.448 5.435 -7.099 1.00 2.51 C ATOM 3 C SER A 1 2.629 4.737 -5.989 1.00 1.75 C ATOM 4 O SER A 1 1.566 5.207 -5.631 1.00 1.72 O ATOM 5 CB SER A 1 3.430 4.502 -8.355 1.00 4.15 C ATOM 6 OG SER A 1 3.858 5.345 -9.424 1.00 4.80 O ATOM 0 H1 SER A 1 5.491 5.708 -7.538 1.00 4.92 H new ATOM 0 H2 SER A 1 4.904 6.754 -6.336 1.00 4.92 H new ATOM 0 H3 SER A 1 5.201 5.122 -5.971 1.00 4.92 H new ATOM 0 HA SER A 1 2.981 6.398 -7.304 1.00 2.51 H new ATOM 0 HB2 SER A 1 4.098 3.650 -8.228 1.00 4.15 H new ATOM 0 HB3 SER A 1 2.433 4.101 -8.539 1.00 4.15 H new ATOM 0 HG SER A 1 3.877 4.831 -10.258 1.00 4.80 H new ATOM 14 N GLN A 2 3.159 3.647 -5.492 1.00 1.64 N ATOM 15 CA GLN A 2 2.523 2.833 -4.407 1.00 1.20 C ATOM 16 C GLN A 2 3.538 3.099 -3.297 1.00 1.11 C ATOM 17 O GLN A 2 4.377 2.261 -3.074 1.00 1.03 O ATOM 18 CB GLN A 2 2.503 1.336 -4.828 1.00 1.09 C ATOM 19 CG GLN A 2 2.144 0.448 -3.573 1.00 1.35 C ATOM 20 CD GLN A 2 3.129 -0.712 -3.410 1.00 1.69 C ATOM 21 OE1 GLN A 2 4.236 -0.512 -2.791 1.00 1.97 O flip ATOM 22 NE2 GLN A 2 2.922 -1.817 -3.845 1.00 1.81 N flip ATOM 0 H GLN A 2 4.052 3.270 -5.811 1.00 1.64 H new ATOM 0 HA GLN A 2 1.490 3.068 -4.150 1.00 1.20 H new ATOM 0 HB2 GLN A 2 1.772 1.179 -5.621 1.00 1.09 H new ATOM 0 HB3 GLN A 2 3.474 1.045 -5.228 1.00 1.09 H new ATOM 0 HG2 GLN A 2 2.154 1.065 -2.674 1.00 1.35 H new ATOM 0 HG3 GLN A 2 1.132 0.056 -3.680 1.00 1.35 H new ATOM 0 HE21 GLN A 2 2.054 -2.015 -4.343 1.00 1.81 H new ATOM 0 HE22 GLN A 2 3.615 -2.554 -3.715 1.00 1.81 H new ATOM 31 N ALA A 3 3.407 4.232 -2.660 1.00 1.12 N ATOM 32 CA ALA A 3 4.318 4.692 -1.551 1.00 1.06 C ATOM 33 C ALA A 3 5.247 3.633 -0.878 1.00 0.96 C ATOM 34 O ALA A 3 6.377 3.933 -0.556 1.00 0.99 O ATOM 35 CB ALA A 3 3.418 5.357 -0.509 1.00 1.01 C ATOM 0 H ALA A 3 2.665 4.899 -2.872 1.00 1.12 H new ATOM 0 HA ALA A 3 5.047 5.360 -2.010 1.00 1.06 H new ATOM 0 HB1 ALA A 3 4.026 5.712 0.323 1.00 1.01 H new ATOM 0 HB2 ALA A 3 2.897 6.200 -0.963 1.00 1.01 H new ATOM 0 HB3 ALA A 3 2.689 4.634 -0.143 1.00 1.01 H new ATOM 41 N GLU A 4 4.773 2.432 -0.707 1.00 0.90 N ATOM 42 CA GLU A 4 5.588 1.376 -0.077 1.00 0.86 C ATOM 43 C GLU A 4 6.858 1.095 -0.890 1.00 0.60 C ATOM 44 O GLU A 4 7.918 0.819 -0.368 1.00 0.43 O ATOM 45 CB GLU A 4 4.608 0.197 0.080 1.00 1.10 C ATOM 46 CG GLU A 4 3.724 0.424 1.343 1.00 1.47 C ATOM 47 CD GLU A 4 4.578 0.340 2.603 1.00 3.73 C ATOM 48 OE1 GLU A 4 5.087 1.399 2.939 1.00 5.90 O ATOM 49 OE2 GLU A 4 4.666 -0.759 3.124 1.00 3.43 O ATOM 0 H GLU A 4 3.836 2.139 -0.985 1.00 0.90 H new ATOM 0 HA GLU A 4 5.999 1.641 0.897 1.00 0.86 H new ATOM 0 HB2 GLU A 4 3.980 0.111 -0.807 1.00 1.10 H new ATOM 0 HB3 GLU A 4 5.159 -0.739 0.172 1.00 1.10 H new ATOM 0 HG2 GLU A 4 3.240 1.399 1.287 1.00 1.47 H new ATOM 0 HG3 GLU A 4 2.932 -0.324 1.381 1.00 1.47 H new ATOM 56 N PHE A 5 6.687 1.212 -2.162 1.00 0.61 N ATOM 57 CA PHE A 5 7.758 1.003 -3.166 1.00 0.45 C ATOM 58 C PHE A 5 8.739 2.158 -2.994 1.00 0.47 C ATOM 59 O PHE A 5 9.912 1.970 -2.783 1.00 0.40 O ATOM 60 CB PHE A 5 7.094 1.052 -4.489 1.00 0.58 C ATOM 61 CG PHE A 5 8.144 1.352 -5.583 1.00 0.43 C ATOM 62 CD1 PHE A 5 8.988 0.361 -6.039 1.00 0.18 C ATOM 63 CD2 PHE A 5 8.269 2.626 -6.101 1.00 0.65 C ATOM 64 CE1 PHE A 5 9.943 0.634 -6.999 1.00 0.15 C ATOM 65 CE2 PHE A 5 9.223 2.904 -7.060 1.00 0.59 C ATOM 66 CZ PHE A 5 10.059 1.911 -7.508 1.00 0.33 C ATOM 0 H PHE A 5 5.789 1.461 -2.577 1.00 0.61 H new ATOM 0 HA PHE A 5 8.293 0.059 -3.061 1.00 0.45 H new ATOM 0 HB2 PHE A 5 6.600 0.102 -4.695 1.00 0.58 H new ATOM 0 HB3 PHE A 5 6.321 1.821 -4.491 1.00 0.58 H new ATOM 0 HD1 PHE A 5 8.901 -0.639 -5.641 1.00 0.18 H new ATOM 0 HD2 PHE A 5 7.615 3.412 -5.753 1.00 0.65 H new ATOM 0 HE1 PHE A 5 10.597 -0.150 -7.350 1.00 0.15 H new ATOM 0 HE2 PHE A 5 9.312 3.904 -7.458 1.00 0.59 H new ATOM 0 HZ PHE A 5 10.806 2.129 -8.257 1.00 0.33 H new ATOM 76 N ASP A 6 8.210 3.342 -3.114 1.00 0.65 N ATOM 77 CA ASP A 6 8.983 4.602 -2.977 1.00 0.79 C ATOM 78 C ASP A 6 9.848 4.584 -1.690 1.00 0.80 C ATOM 79 O ASP A 6 11.048 4.799 -1.644 1.00 0.89 O ATOM 80 CB ASP A 6 7.861 5.657 -3.046 1.00 0.91 C ATOM 81 CG ASP A 6 6.989 5.486 -4.309 1.00 1.00 C ATOM 82 OD1 ASP A 6 6.045 4.711 -4.256 1.00 0.92 O ATOM 83 OD2 ASP A 6 7.257 6.110 -5.310 1.00 1.15 O ATOM 0 H ASP A 6 7.221 3.491 -3.312 1.00 0.65 H new ATOM 0 HA ASP A 6 9.740 4.795 -3.737 1.00 0.79 H new ATOM 0 HB2 ASP A 6 7.234 5.579 -2.158 1.00 0.91 H new ATOM 0 HB3 ASP A 6 8.300 6.655 -3.040 1.00 0.91 H new ATOM 88 N LYS A 7 9.132 4.300 -0.650 1.00 0.69 N ATOM 89 CA LYS A 7 9.747 4.210 0.704 1.00 0.67 C ATOM 90 C LYS A 7 10.826 3.111 0.618 1.00 0.61 C ATOM 91 O LYS A 7 11.923 3.309 1.104 1.00 0.66 O ATOM 92 CB LYS A 7 8.637 3.853 1.707 1.00 0.47 C ATOM 93 CG LYS A 7 9.258 3.602 3.100 1.00 0.74 C ATOM 94 CD LYS A 7 8.100 3.325 4.112 1.00 1.02 C ATOM 95 CE LYS A 7 8.621 2.662 5.397 1.00 1.67 C ATOM 96 NZ LYS A 7 9.587 3.585 6.076 1.00 1.08 N ATOM 0 H LYS A 7 8.128 4.122 -0.675 1.00 0.69 H new ATOM 0 HA LYS A 7 10.206 5.142 1.033 1.00 0.67 H new ATOM 0 HB2 LYS A 7 7.909 4.662 1.763 1.00 0.47 H new ATOM 0 HB3 LYS A 7 8.101 2.965 1.371 1.00 0.47 H new ATOM 0 HG2 LYS A 7 9.941 2.754 3.064 1.00 0.74 H new ATOM 0 HG3 LYS A 7 9.841 4.467 3.417 1.00 0.74 H new ATOM 0 HD2 LYS A 7 7.601 4.262 4.361 1.00 1.02 H new ATOM 0 HD3 LYS A 7 7.354 2.681 3.646 1.00 1.02 H new ATOM 0 HE2 LYS A 7 7.790 2.433 6.064 1.00 1.67 H new ATOM 0 HE3 LYS A 7 9.109 1.717 5.160 1.00 1.67 H new ATOM 0 HZ1 LYS A 7 10.551 3.205 5.987 1.00 1.08 H new ATOM 0 HZ2 LYS A 7 9.542 4.524 5.630 1.00 1.08 H new ATOM 0 HZ3 LYS A 7 9.339 3.668 7.083 1.00 1.08 H new ATOM 110 N ALA A 8 10.493 1.994 -0.003 1.00 0.47 N ATOM 111 CA ALA A 8 11.501 0.895 -0.118 1.00 0.39 C ATOM 112 C ALA A 8 12.710 1.555 -0.797 1.00 0.39 C ATOM 113 O ALA A 8 13.819 1.401 -0.339 1.00 0.40 O ATOM 114 CB ALA A 8 10.914 -0.250 -0.975 1.00 0.33 C ATOM 0 H ALA A 8 9.584 1.804 -0.425 1.00 0.47 H new ATOM 0 HA ALA A 8 11.778 0.454 0.839 1.00 0.39 H new ATOM 0 HB1 ALA A 8 11.646 -1.053 -1.061 1.00 0.33 H new ATOM 0 HB2 ALA A 8 10.010 -0.633 -0.501 1.00 0.33 H new ATOM 0 HB3 ALA A 8 10.671 0.127 -1.968 1.00 0.33 H new ATOM 120 N ALA A 9 12.496 2.275 -1.869 1.00 0.43 N ATOM 121 CA ALA A 9 13.651 2.944 -2.545 1.00 0.46 C ATOM 122 C ALA A 9 14.432 3.806 -1.534 1.00 0.42 C ATOM 123 O ALA A 9 15.620 3.587 -1.412 1.00 0.57 O ATOM 124 CB ALA A 9 13.094 3.785 -3.703 1.00 0.49 C ATOM 0 H ALA A 9 11.585 2.428 -2.301 1.00 0.43 H new ATOM 0 HA ALA A 9 14.351 2.208 -2.940 1.00 0.46 H new ATOM 0 HB1 ALA A 9 13.915 4.286 -4.216 1.00 0.49 H new ATOM 0 HB2 ALA A 9 12.570 3.136 -4.404 1.00 0.49 H new ATOM 0 HB3 ALA A 9 12.402 4.530 -3.311 1.00 0.49 H new ATOM 130 N GLU A 10 13.793 4.726 -0.849 1.00 0.29 N ATOM 131 CA GLU A 10 14.520 5.584 0.155 1.00 0.29 C ATOM 132 C GLU A 10 15.427 4.668 0.971 1.00 0.28 C ATOM 133 O GLU A 10 16.634 4.812 1.051 1.00 0.30 O ATOM 134 CB GLU A 10 13.523 6.278 1.144 1.00 0.30 C ATOM 135 CG GLU A 10 12.720 7.446 0.496 1.00 0.31 C ATOM 136 CD GLU A 10 11.613 8.035 1.409 1.00 0.33 C ATOM 137 OE1 GLU A 10 11.333 7.488 2.466 1.00 0.46 O ATOM 138 OE2 GLU A 10 11.092 9.044 0.966 1.00 0.35 O ATOM 0 H GLU A 10 12.796 4.923 -0.939 1.00 0.29 H new ATOM 0 HA GLU A 10 15.077 6.356 -0.376 1.00 0.29 H new ATOM 0 HB2 GLU A 10 12.824 5.534 1.525 1.00 0.30 H new ATOM 0 HB3 GLU A 10 14.079 6.660 2.000 1.00 0.30 H new ATOM 0 HG2 GLU A 10 13.413 8.242 0.223 1.00 0.31 H new ATOM 0 HG3 GLU A 10 12.263 7.090 -0.428 1.00 0.31 H new ATOM 145 N GLU A 11 14.761 3.713 1.540 1.00 0.23 N ATOM 146 CA GLU A 11 15.458 2.716 2.398 1.00 0.22 C ATOM 147 C GLU A 11 16.608 1.978 1.674 1.00 0.33 C ATOM 148 O GLU A 11 17.702 1.887 2.200 1.00 0.49 O ATOM 149 CB GLU A 11 14.357 1.778 2.909 1.00 0.27 C ATOM 150 CG GLU A 11 13.401 2.681 3.786 1.00 0.36 C ATOM 151 CD GLU A 11 13.233 2.255 5.252 1.00 0.48 C ATOM 152 OE1 GLU A 11 14.244 1.931 5.854 1.00 2.37 O ATOM 153 OE2 GLU A 11 12.079 2.303 5.674 1.00 1.86 O ATOM 0 H GLU A 11 13.754 3.575 1.449 1.00 0.23 H new ATOM 0 HA GLU A 11 15.973 3.204 3.226 1.00 0.22 H new ATOM 0 HB2 GLU A 11 13.815 1.323 2.080 1.00 0.27 H new ATOM 0 HB3 GLU A 11 14.778 0.965 3.500 1.00 0.27 H new ATOM 0 HG2 GLU A 11 13.779 3.703 3.766 1.00 0.36 H new ATOM 0 HG3 GLU A 11 12.417 2.696 3.317 1.00 0.36 H new ATOM 160 N VAL A 12 16.382 1.471 0.488 1.00 0.26 N ATOM 161 CA VAL A 12 17.463 0.748 -0.259 1.00 0.36 C ATOM 162 C VAL A 12 18.595 1.754 -0.461 1.00 0.39 C ATOM 163 O VAL A 12 19.744 1.459 -0.211 1.00 0.40 O ATOM 164 CB VAL A 12 16.902 0.229 -1.640 1.00 0.35 C ATOM 165 CG1 VAL A 12 17.208 1.151 -2.852 1.00 0.41 C ATOM 166 CG2 VAL A 12 17.522 -1.138 -1.974 1.00 0.41 C ATOM 0 H VAL A 12 15.488 1.526 -0.001 1.00 0.26 H new ATOM 0 HA VAL A 12 17.823 -0.124 0.288 1.00 0.36 H new ATOM 0 HB VAL A 12 15.822 0.191 -1.501 1.00 0.35 H new ATOM 0 HG11 VAL A 12 16.785 0.715 -3.757 1.00 0.41 H new ATOM 0 HG12 VAL A 12 16.767 2.133 -2.682 1.00 0.41 H new ATOM 0 HG13 VAL A 12 18.287 1.253 -2.969 1.00 0.41 H new ATOM 0 HG21 VAL A 12 17.131 -1.491 -2.928 1.00 0.41 H new ATOM 0 HG22 VAL A 12 18.606 -1.040 -2.040 1.00 0.41 H new ATOM 0 HG23 VAL A 12 17.269 -1.853 -1.191 1.00 0.41 H new ATOM 176 N LYS A 13 18.263 2.944 -0.905 1.00 0.38 N ATOM 177 CA LYS A 13 19.284 3.985 -1.129 1.00 0.38 C ATOM 178 C LYS A 13 20.018 4.244 0.191 1.00 0.35 C ATOM 179 O LYS A 13 21.159 4.655 0.206 1.00 0.64 O ATOM 180 CB LYS A 13 18.568 5.249 -1.664 1.00 0.38 C ATOM 181 CG LYS A 13 18.080 5.072 -3.137 1.00 0.47 C ATOM 182 CD LYS A 13 17.865 6.476 -3.844 1.00 0.67 C ATOM 183 CE LYS A 13 19.177 7.098 -4.454 1.00 1.03 C ATOM 184 NZ LYS A 13 18.807 8.313 -5.269 1.00 1.31 N ATOM 0 H LYS A 13 17.308 3.230 -1.121 1.00 0.38 H new ATOM 0 HA LYS A 13 20.028 3.677 -1.864 1.00 0.38 H new ATOM 0 HB2 LYS A 13 17.715 5.479 -1.026 1.00 0.38 H new ATOM 0 HB3 LYS A 13 19.247 6.100 -1.608 1.00 0.38 H new ATOM 0 HG2 LYS A 13 18.811 4.488 -3.697 1.00 0.47 H new ATOM 0 HG3 LYS A 13 17.146 4.510 -3.148 1.00 0.47 H new ATOM 0 HD2 LYS A 13 17.127 6.361 -4.638 1.00 0.67 H new ATOM 0 HD3 LYS A 13 17.447 7.175 -3.119 1.00 0.67 H new ATOM 0 HE2 LYS A 13 19.869 7.374 -3.658 1.00 1.03 H new ATOM 0 HE3 LYS A 13 19.687 6.365 -5.080 1.00 1.03 H new ATOM 0 HZ1 LYS A 13 18.965 8.116 -6.278 1.00 1.31 H new ATOM 0 HZ2 LYS A 13 17.805 8.543 -5.114 1.00 1.31 H new ATOM 0 HZ3 LYS A 13 19.396 9.119 -4.977 1.00 1.31 H new ATOM 198 N HIS A 14 19.348 3.993 1.276 1.00 0.36 N ATOM 199 CA HIS A 14 20.010 4.210 2.602 1.00 0.47 C ATOM 200 C HIS A 14 20.820 2.971 3.024 1.00 0.55 C ATOM 201 O HIS A 14 21.622 3.083 3.931 1.00 0.50 O ATOM 202 CB HIS A 14 18.951 4.526 3.695 1.00 0.46 C ATOM 203 CG HIS A 14 18.517 5.981 3.563 1.00 0.40 C ATOM 204 ND1 HIS A 14 17.464 6.370 2.944 1.00 0.34 N ATOM 205 CD2 HIS A 14 19.090 7.154 4.023 1.00 0.40 C ATOM 206 CE1 HIS A 14 17.364 7.662 2.994 1.00 0.33 C ATOM 207 NE2 HIS A 14 18.360 8.191 3.661 1.00 0.36 N ATOM 0 H HIS A 14 18.387 3.653 1.311 1.00 0.36 H new ATOM 0 HA HIS A 14 20.688 5.057 2.497 1.00 0.47 H new ATOM 0 HB2 HIS A 14 18.091 3.866 3.587 1.00 0.46 H new ATOM 0 HB3 HIS A 14 19.368 4.346 4.686 1.00 0.46 H new ATOM 0 HD1 HIS A 14 16.800 5.752 2.479 1.00 0.34 H new ATOM 0 HD2 HIS A 14 20.004 7.212 4.596 1.00 0.40 H new ATOM 0 HE1 HIS A 14 16.563 8.229 2.544 1.00 0.33 H new ATOM 215 N LEU A 15 20.645 1.826 2.397 1.00 0.78 N ATOM 216 CA LEU A 15 21.431 0.603 2.789 1.00 0.90 C ATOM 217 C LEU A 15 22.919 0.988 2.938 1.00 1.02 C ATOM 218 O LEU A 15 23.587 1.330 1.982 1.00 1.11 O ATOM 219 CB LEU A 15 21.283 -0.501 1.693 1.00 0.79 C ATOM 220 CG LEU A 15 19.942 -1.263 1.799 1.00 0.63 C ATOM 221 CD1 LEU A 15 19.801 -2.149 0.569 1.00 0.49 C ATOM 222 CD2 LEU A 15 19.968 -2.225 2.982 1.00 0.78 C ATOM 0 H LEU A 15 19.990 1.685 1.628 1.00 0.78 H new ATOM 0 HA LEU A 15 21.052 0.215 3.734 1.00 0.90 H new ATOM 0 HB2 LEU A 15 21.360 -0.043 0.707 1.00 0.79 H new ATOM 0 HB3 LEU A 15 22.107 -1.209 1.781 1.00 0.79 H new ATOM 0 HG LEU A 15 19.139 -0.533 1.901 1.00 0.63 H new ATOM 0 HD11 LEU A 15 18.861 -2.698 0.622 1.00 0.49 H new ATOM 0 HD12 LEU A 15 19.810 -1.530 -0.328 1.00 0.49 H new ATOM 0 HD13 LEU A 15 20.631 -2.855 0.532 1.00 0.49 H new ATOM 0 HD21 LEU A 15 19.017 -2.753 3.042 1.00 0.78 H new ATOM 0 HD22 LEU A 15 20.775 -2.945 2.848 1.00 0.78 H new ATOM 0 HD23 LEU A 15 20.131 -1.665 3.903 1.00 0.78 H new ATOM 234 N LYS A 16 23.408 0.917 4.146 1.00 1.04 N ATOM 235 CA LYS A 16 24.835 1.268 4.444 1.00 1.10 C ATOM 236 C LYS A 16 25.879 0.546 3.562 1.00 0.93 C ATOM 237 O LYS A 16 26.947 1.064 3.290 1.00 0.96 O ATOM 238 CB LYS A 16 25.071 0.948 5.950 1.00 1.17 C ATOM 239 CG LYS A 16 24.928 -0.579 6.273 1.00 3.38 C ATOM 240 CD LYS A 16 25.064 -0.721 7.824 1.00 3.52 C ATOM 241 CE LYS A 16 25.001 -2.180 8.333 1.00 4.10 C ATOM 242 NZ LYS A 16 23.627 -2.719 8.093 1.00 4.63 N ATOM 0 H LYS A 16 22.869 0.624 4.961 1.00 1.04 H new ATOM 0 HA LYS A 16 24.980 2.324 4.214 1.00 1.10 H new ATOM 0 HB2 LYS A 16 26.067 1.284 6.237 1.00 1.17 H new ATOM 0 HB3 LYS A 16 24.359 1.511 6.553 1.00 1.17 H new ATOM 0 HG2 LYS A 16 23.965 -0.959 5.932 1.00 3.38 H new ATOM 0 HG3 LYS A 16 25.698 -1.157 5.762 1.00 3.38 H new ATOM 0 HD2 LYS A 16 26.010 -0.279 8.137 1.00 3.52 H new ATOM 0 HD3 LYS A 16 24.270 -0.146 8.302 1.00 3.52 H new ATOM 0 HE2 LYS A 16 25.741 -2.791 7.817 1.00 4.10 H new ATOM 0 HE3 LYS A 16 25.241 -2.219 9.396 1.00 4.10 H new ATOM 0 HZ1 LYS A 16 23.155 -2.884 9.005 1.00 4.63 H new ATOM 0 HZ2 LYS A 16 23.077 -2.033 7.537 1.00 4.63 H new ATOM 0 HZ3 LYS A 16 23.692 -3.615 7.570 1.00 4.63 H new ATOM 256 N THR A 17 25.467 -0.628 3.175 1.00 1.09 N ATOM 257 CA THR A 17 26.329 -1.508 2.331 1.00 1.02 C ATOM 258 C THR A 17 26.014 -1.871 0.880 1.00 1.10 C ATOM 259 O THR A 17 25.097 -2.612 0.592 1.00 1.57 O ATOM 260 CB THR A 17 26.534 -2.819 3.104 1.00 0.75 C ATOM 261 OG1 THR A 17 27.291 -2.437 4.242 1.00 0.52 O ATOM 262 CG2 THR A 17 27.528 -3.758 2.418 1.00 0.67 C ATOM 0 H THR A 17 24.556 -1.023 3.410 1.00 1.09 H new ATOM 0 HA THR A 17 27.183 -0.849 2.174 1.00 1.02 H new ATOM 0 HB THR A 17 25.561 -3.291 3.243 1.00 0.75 H new ATOM 0 HG1 THR A 17 27.467 -3.225 4.798 1.00 0.52 H new ATOM 0 HG21 THR A 17 27.635 -4.669 3.007 1.00 0.67 H new ATOM 0 HG22 THR A 17 27.162 -4.011 1.423 1.00 0.67 H new ATOM 0 HG23 THR A 17 28.496 -3.265 2.334 1.00 0.67 H new ATOM 270 N LYS A 18 26.842 -1.278 0.061 1.00 0.85 N ATOM 271 CA LYS A 18 26.885 -1.398 -1.412 1.00 0.79 C ATOM 272 C LYS A 18 26.602 -2.882 -1.806 1.00 0.88 C ATOM 273 O LYS A 18 27.502 -3.700 -1.730 1.00 1.44 O ATOM 274 CB LYS A 18 28.313 -0.926 -1.867 1.00 1.11 C ATOM 275 CG LYS A 18 29.344 -0.664 -0.708 1.00 1.71 C ATOM 276 CD LYS A 18 29.053 0.731 -0.048 1.00 4.20 C ATOM 277 CE LYS A 18 29.552 0.763 1.405 1.00 5.53 C ATOM 278 NZ LYS A 18 29.122 2.062 2.003 1.00 5.92 N ATOM 0 H LYS A 18 27.565 -0.648 0.409 1.00 0.85 H new ATOM 0 HA LYS A 18 26.130 -0.783 -1.903 1.00 0.79 H new ATOM 0 HB2 LYS A 18 28.729 -1.680 -2.536 1.00 1.11 H new ATOM 0 HB3 LYS A 18 28.205 -0.010 -2.447 1.00 1.11 H new ATOM 0 HG2 LYS A 18 29.273 -1.453 0.040 1.00 1.71 H new ATOM 0 HG3 LYS A 18 30.361 -0.687 -1.100 1.00 1.71 H new ATOM 0 HD2 LYS A 18 29.541 1.519 -0.622 1.00 4.20 H new ATOM 0 HD3 LYS A 18 27.982 0.934 -0.074 1.00 4.20 H new ATOM 0 HE2 LYS A 18 29.140 -0.073 1.970 1.00 5.53 H new ATOM 0 HE3 LYS A 18 30.637 0.667 1.439 1.00 5.53 H new ATOM 0 HZ1 LYS A 18 29.928 2.504 2.489 1.00 5.92 H new ATOM 0 HZ2 LYS A 18 28.781 2.695 1.251 1.00 5.92 H new ATOM 0 HZ3 LYS A 18 28.356 1.893 2.686 1.00 5.92 H new ATOM 292 N PRO A 19 25.393 -3.212 -2.195 1.00 0.46 N ATOM 293 CA PRO A 19 25.076 -4.610 -2.576 1.00 0.53 C ATOM 294 C PRO A 19 25.786 -5.094 -3.857 1.00 0.49 C ATOM 295 O PRO A 19 26.206 -4.343 -4.712 1.00 0.55 O ATOM 296 CB PRO A 19 23.539 -4.592 -2.673 1.00 0.50 C ATOM 297 CG PRO A 19 23.153 -3.331 -1.817 1.00 0.79 C ATOM 298 CD PRO A 19 24.198 -2.337 -2.291 1.00 0.53 C ATOM 0 HA PRO A 19 25.444 -5.338 -1.853 1.00 0.53 H new ATOM 0 HB2 PRO A 19 23.200 -4.500 -3.705 1.00 0.50 H new ATOM 0 HB3 PRO A 19 23.097 -5.504 -2.272 1.00 0.50 H new ATOM 0 HG2 PRO A 19 22.137 -2.990 -2.017 1.00 0.79 H new ATOM 0 HG3 PRO A 19 23.220 -3.522 -0.746 1.00 0.79 H new ATOM 0 HD2 PRO A 19 24.014 -1.981 -3.305 1.00 0.53 H new ATOM 0 HD3 PRO A 19 24.266 -1.457 -1.652 1.00 0.53 H new ATOM 306 N ALA A 20 25.904 -6.384 -3.942 1.00 0.37 N ATOM 307 CA ALA A 20 26.569 -7.010 -5.138 1.00 0.45 C ATOM 308 C ALA A 20 25.930 -6.473 -6.469 1.00 0.38 C ATOM 309 O ALA A 20 24.717 -6.334 -6.558 1.00 0.20 O ATOM 310 CB ALA A 20 26.407 -8.538 -4.960 1.00 0.48 C ATOM 0 H ALA A 20 25.571 -7.044 -3.239 1.00 0.37 H new ATOM 0 HA ALA A 20 27.626 -6.755 -5.207 1.00 0.45 H new ATOM 0 HB1 ALA A 20 26.871 -9.053 -5.801 1.00 0.48 H new ATOM 0 HB2 ALA A 20 26.888 -8.849 -4.033 1.00 0.48 H new ATOM 0 HB3 ALA A 20 25.347 -8.789 -4.921 1.00 0.48 H new ATOM 316 N ASP A 21 26.742 -6.183 -7.466 1.00 0.49 N ATOM 317 CA ASP A 21 26.208 -5.661 -8.767 1.00 0.45 C ATOM 318 C ASP A 21 24.912 -6.375 -9.173 1.00 0.45 C ATOM 319 O ASP A 21 23.927 -5.706 -9.335 1.00 0.49 O ATOM 320 CB ASP A 21 27.286 -5.846 -9.832 1.00 0.46 C ATOM 321 CG ASP A 21 28.571 -5.158 -9.439 1.00 0.42 C ATOM 322 OD1 ASP A 21 29.268 -5.681 -8.599 1.00 2.26 O ATOM 323 OD2 ASP A 21 28.847 -4.132 -10.021 1.00 2.15 O ATOM 0 H ASP A 21 27.756 -6.287 -7.431 1.00 0.49 H new ATOM 0 HA ASP A 21 25.962 -4.605 -8.660 1.00 0.45 H new ATOM 0 HB2 ASP A 21 27.472 -6.909 -9.983 1.00 0.46 H new ATOM 0 HB3 ASP A 21 26.933 -5.446 -10.783 1.00 0.46 H new ATOM 328 N GLU A 22 24.872 -7.672 -9.343 1.00 0.44 N ATOM 329 CA GLU A 22 23.574 -8.343 -9.732 1.00 0.60 C ATOM 330 C GLU A 22 22.349 -7.805 -8.915 1.00 0.56 C ATOM 331 O GLU A 22 21.267 -7.554 -9.423 1.00 0.95 O ATOM 332 CB GLU A 22 23.747 -9.891 -9.523 1.00 0.67 C ATOM 333 CG GLU A 22 24.658 -10.504 -10.635 1.00 1.08 C ATOM 334 CD GLU A 22 25.061 -11.960 -10.337 1.00 1.32 C ATOM 335 OE1 GLU A 22 24.154 -12.773 -10.248 1.00 1.58 O ATOM 336 OE2 GLU A 22 26.263 -12.154 -10.226 1.00 1.36 O ATOM 0 H GLU A 22 25.669 -8.299 -9.233 1.00 0.44 H new ATOM 0 HA GLU A 22 23.360 -8.116 -10.776 1.00 0.60 H new ATOM 0 HB2 GLU A 22 24.183 -10.083 -8.543 1.00 0.67 H new ATOM 0 HB3 GLU A 22 22.771 -10.376 -9.538 1.00 0.67 H new ATOM 0 HG2 GLU A 22 24.135 -10.464 -11.590 1.00 1.08 H new ATOM 0 HG3 GLU A 22 25.557 -9.896 -10.738 1.00 1.08 H new ATOM 343 N GLU A 23 22.570 -7.621 -7.637 1.00 0.16 N ATOM 344 CA GLU A 23 21.461 -7.113 -6.767 1.00 0.17 C ATOM 345 C GLU A 23 21.184 -5.685 -7.259 1.00 0.18 C ATOM 346 O GLU A 23 20.041 -5.332 -7.512 1.00 0.20 O ATOM 347 CB GLU A 23 21.938 -7.210 -5.265 1.00 0.18 C ATOM 348 CG GLU A 23 22.331 -8.698 -4.983 1.00 0.33 C ATOM 349 CD GLU A 23 21.952 -9.141 -3.578 1.00 0.24 C ATOM 350 OE1 GLU A 23 20.793 -9.523 -3.542 1.00 0.53 O ATOM 351 OE2 GLU A 23 22.761 -9.097 -2.656 1.00 0.39 O ATOM 0 H GLU A 23 23.456 -7.797 -7.163 1.00 0.16 H new ATOM 0 HA GLU A 23 20.533 -7.683 -6.821 1.00 0.17 H new ATOM 0 HB2 GLU A 23 22.788 -6.551 -5.091 1.00 0.18 H new ATOM 0 HB3 GLU A 23 21.144 -6.890 -4.591 1.00 0.18 H new ATOM 0 HG2 GLU A 23 21.840 -9.345 -5.710 1.00 0.33 H new ATOM 0 HG3 GLU A 23 23.405 -8.820 -5.122 1.00 0.33 H new ATOM 358 N MET A 24 22.243 -4.926 -7.364 1.00 0.14 N ATOM 359 CA MET A 24 22.159 -3.507 -7.857 1.00 0.13 C ATOM 360 C MET A 24 21.336 -3.571 -9.181 1.00 0.16 C ATOM 361 O MET A 24 20.355 -2.895 -9.346 1.00 0.22 O ATOM 362 CB MET A 24 23.628 -3.015 -8.059 1.00 0.18 C ATOM 363 CG MET A 24 24.396 -3.008 -6.733 1.00 0.18 C ATOM 364 SD MET A 24 26.098 -2.408 -6.847 1.00 2.56 S ATOM 365 CE MET A 24 25.734 -0.653 -6.605 1.00 0.80 C ATOM 0 H MET A 24 23.186 -5.232 -7.125 1.00 0.14 H new ATOM 0 HA MET A 24 21.670 -2.808 -7.178 1.00 0.13 H new ATOM 0 HB2 MET A 24 24.136 -3.662 -8.774 1.00 0.18 H new ATOM 0 HB3 MET A 24 23.623 -2.012 -8.485 1.00 0.18 H new ATOM 0 HG2 MET A 24 23.854 -2.388 -6.018 1.00 0.18 H new ATOM 0 HG3 MET A 24 24.409 -4.021 -6.331 1.00 0.18 H new ATOM 0 HE1 MET A 24 25.984 -0.101 -7.511 1.00 0.80 H new ATOM 0 HE2 MET A 24 24.674 -0.528 -6.386 1.00 0.80 H new ATOM 0 HE3 MET A 24 26.324 -0.270 -5.772 1.00 0.80 H new ATOM 375 N LEU A 25 21.770 -4.383 -10.103 1.00 0.15 N ATOM 376 CA LEU A 25 21.146 -4.622 -11.422 1.00 0.28 C ATOM 377 C LEU A 25 19.642 -4.879 -11.281 1.00 0.25 C ATOM 378 O LEU A 25 18.832 -4.254 -11.937 1.00 0.42 O ATOM 379 CB LEU A 25 21.929 -5.813 -12.012 1.00 0.35 C ATOM 380 CG LEU A 25 23.284 -5.360 -12.589 1.00 0.66 C ATOM 381 CD1 LEU A 25 24.064 -6.560 -13.106 1.00 0.84 C ATOM 382 CD2 LEU A 25 23.066 -4.423 -13.801 1.00 0.68 C ATOM 0 H LEU A 25 22.615 -4.939 -9.970 1.00 0.15 H new ATOM 0 HA LEU A 25 21.203 -3.761 -12.088 1.00 0.28 H new ATOM 0 HB2 LEU A 25 22.093 -6.563 -11.238 1.00 0.35 H new ATOM 0 HB3 LEU A 25 21.338 -6.288 -12.795 1.00 0.35 H new ATOM 0 HG LEU A 25 23.825 -4.851 -11.791 1.00 0.66 H new ATOM 0 HD11 LEU A 25 25.019 -6.226 -13.511 1.00 0.84 H new ATOM 0 HD12 LEU A 25 24.241 -7.259 -12.288 1.00 0.84 H new ATOM 0 HD13 LEU A 25 23.491 -7.056 -13.890 1.00 0.84 H new ATOM 0 HD21 LEU A 25 24.032 -4.111 -14.198 1.00 0.68 H new ATOM 0 HD22 LEU A 25 22.509 -4.952 -14.575 1.00 0.68 H new ATOM 0 HD23 LEU A 25 22.503 -3.545 -13.485 1.00 0.68 H new ATOM 394 N PHE A 26 19.299 -5.783 -10.410 1.00 0.23 N ATOM 395 CA PHE A 26 17.853 -6.082 -10.227 1.00 0.30 C ATOM 396 C PHE A 26 17.199 -4.763 -9.780 1.00 0.30 C ATOM 397 O PHE A 26 16.309 -4.245 -10.419 1.00 0.35 O ATOM 398 CB PHE A 26 17.739 -7.174 -9.166 1.00 0.22 C ATOM 399 CG PHE A 26 16.261 -7.498 -8.959 1.00 0.26 C ATOM 400 CD1 PHE A 26 15.432 -6.611 -8.299 1.00 2.42 C ATOM 401 CD2 PHE A 26 15.738 -8.680 -9.438 1.00 2.35 C ATOM 402 CE1 PHE A 26 14.107 -6.902 -8.123 1.00 2.48 C ATOM 403 CE2 PHE A 26 14.401 -8.974 -9.262 1.00 2.30 C ATOM 404 CZ PHE A 26 13.595 -8.077 -8.603 1.00 0.39 C ATOM 0 H PHE A 26 19.942 -6.319 -9.827 1.00 0.23 H new ATOM 0 HA PHE A 26 17.359 -6.441 -11.130 1.00 0.30 H new ATOM 0 HB2 PHE A 26 18.282 -8.066 -9.481 1.00 0.22 H new ATOM 0 HB3 PHE A 26 18.188 -6.841 -8.230 1.00 0.22 H new ATOM 0 HD1 PHE A 26 15.833 -5.682 -7.920 1.00 2.42 H new ATOM 0 HD2 PHE A 26 16.378 -9.380 -9.954 1.00 2.35 H new ATOM 0 HE1 PHE A 26 13.465 -6.205 -7.605 1.00 2.48 H new ATOM 0 HE2 PHE A 26 13.992 -9.900 -9.639 1.00 2.30 H new ATOM 0 HZ PHE A 26 12.548 -8.301 -8.463 1.00 0.39 H new ATOM 414 N ILE A 27 17.707 -4.270 -8.685 1.00 0.31 N ATOM 415 CA ILE A 27 17.200 -2.995 -8.098 1.00 0.34 C ATOM 416 C ILE A 27 17.107 -1.839 -9.115 1.00 0.31 C ATOM 417 O ILE A 27 16.144 -1.099 -9.099 1.00 0.28 O ATOM 418 CB ILE A 27 18.143 -2.714 -6.910 1.00 0.49 C ATOM 419 CG1 ILE A 27 17.777 -3.668 -5.748 1.00 0.68 C ATOM 420 CG2 ILE A 27 18.085 -1.276 -6.413 1.00 0.40 C ATOM 421 CD1 ILE A 27 16.347 -3.399 -5.179 1.00 0.64 C ATOM 0 H ILE A 27 18.467 -4.705 -8.161 1.00 0.31 H new ATOM 0 HA ILE A 27 16.165 -3.085 -7.770 1.00 0.34 H new ATOM 0 HB ILE A 27 19.161 -2.881 -7.263 1.00 0.49 H new ATOM 0 HG12 ILE A 27 17.838 -4.699 -6.096 1.00 0.68 H new ATOM 0 HG13 ILE A 27 18.509 -3.558 -4.948 1.00 0.68 H new ATOM 0 HG21 ILE A 27 18.774 -1.152 -5.577 1.00 0.40 H new ATOM 0 HG22 ILE A 27 18.368 -0.600 -7.220 1.00 0.40 H new ATOM 0 HG23 ILE A 27 17.071 -1.045 -6.085 1.00 0.40 H new ATOM 0 HD11 ILE A 27 16.142 -4.096 -4.366 1.00 0.64 H new ATOM 0 HD12 ILE A 27 16.291 -2.377 -4.804 1.00 0.64 H new ATOM 0 HD13 ILE A 27 15.609 -3.536 -5.970 1.00 0.64 H new ATOM 433 N TYR A 28 18.079 -1.690 -9.977 1.00 0.33 N ATOM 434 CA TYR A 28 18.047 -0.594 -10.992 1.00 0.32 C ATOM 435 C TYR A 28 17.040 -1.000 -12.066 1.00 0.35 C ATOM 436 O TYR A 28 16.129 -0.239 -12.277 1.00 0.45 O ATOM 437 CB TYR A 28 19.475 -0.396 -11.611 1.00 0.53 C ATOM 438 CG TYR A 28 19.490 0.844 -12.551 1.00 0.73 C ATOM 439 CD1 TYR A 28 19.530 2.103 -11.992 1.00 2.60 C ATOM 440 CD2 TYR A 28 19.459 0.756 -13.936 1.00 2.35 C ATOM 441 CE1 TYR A 28 19.537 3.235 -12.789 1.00 2.77 C ATOM 442 CE2 TYR A 28 19.469 1.910 -14.726 1.00 2.37 C ATOM 443 CZ TYR A 28 19.506 3.162 -14.152 1.00 1.29 C ATOM 444 OH TYR A 28 19.501 4.331 -14.895 1.00 1.64 O ATOM 0 H TYR A 28 18.904 -2.288 -10.022 1.00 0.33 H new ATOM 0 HA TYR A 28 17.752 0.352 -10.539 1.00 0.32 H new ATOM 0 HB2 TYR A 28 20.209 -0.266 -10.815 1.00 0.53 H new ATOM 0 HB3 TYR A 28 19.764 -1.287 -12.169 1.00 0.53 H new ATOM 0 HD1 TYR A 28 19.556 2.208 -10.917 1.00 2.60 H new ATOM 0 HD2 TYR A 28 19.427 -0.214 -14.409 1.00 2.35 H new ATOM 0 HE1 TYR A 28 19.568 4.206 -12.318 1.00 2.77 H new ATOM 0 HE2 TYR A 28 19.447 1.818 -15.802 1.00 2.37 H new ATOM 0 HH TYR A 28 20.400 4.721 -14.897 1.00 1.64 H new ATOM 454 N SER A 29 17.162 -2.137 -12.707 1.00 0.31 N ATOM 455 CA SER A 29 16.153 -2.531 -13.773 1.00 0.36 C ATOM 456 C SER A 29 14.717 -2.373 -13.253 1.00 0.40 C ATOM 457 O SER A 29 13.887 -1.768 -13.889 1.00 0.49 O ATOM 458 CB SER A 29 16.371 -3.977 -14.165 1.00 0.31 C ATOM 459 OG SER A 29 16.241 -4.632 -12.906 1.00 0.37 O ATOM 0 H SER A 29 17.908 -2.814 -12.548 1.00 0.31 H new ATOM 0 HA SER A 29 16.293 -1.877 -14.634 1.00 0.36 H new ATOM 0 HB2 SER A 29 15.631 -4.323 -14.886 1.00 0.31 H new ATOM 0 HB3 SER A 29 17.352 -4.138 -14.612 1.00 0.31 H new ATOM 0 HG SER A 29 17.079 -4.546 -12.405 1.00 0.37 H new ATOM 465 N HIS A 30 14.494 -2.937 -12.105 1.00 0.35 N ATOM 466 CA HIS A 30 13.167 -2.877 -11.449 1.00 0.39 C ATOM 467 C HIS A 30 12.870 -1.444 -11.000 1.00 0.38 C ATOM 468 O HIS A 30 11.853 -0.947 -11.415 1.00 0.61 O ATOM 469 CB HIS A 30 13.206 -3.862 -10.289 1.00 0.42 C ATOM 470 CG HIS A 30 13.170 -5.263 -10.898 1.00 0.47 C ATOM 471 ND1 HIS A 30 14.088 -5.802 -11.638 1.00 2.64 N ATOM 472 CD2 HIS A 30 12.187 -6.228 -10.803 1.00 1.57 C ATOM 473 CE1 HIS A 30 13.714 -7.001 -11.975 1.00 2.15 C ATOM 474 NE2 HIS A 30 12.540 -7.303 -11.478 1.00 0.53 N ATOM 0 H HIS A 30 15.199 -3.453 -11.579 1.00 0.35 H new ATOM 0 HA HIS A 30 12.360 -3.153 -12.128 1.00 0.39 H new ATOM 0 HB2 HIS A 30 14.108 -3.722 -9.694 1.00 0.42 H new ATOM 0 HB3 HIS A 30 12.357 -3.708 -9.623 1.00 0.42 H new ATOM 0 HD1 HIS A 30 14.964 -5.357 -11.912 1.00 2.64 H new ATOM 0 HD2 HIS A 30 11.263 -6.118 -10.255 1.00 1.57 H new ATOM 0 HE1 HIS A 30 14.300 -7.667 -12.590 1.00 2.15 H new ATOM 482 N TYR A 31 13.657 -0.785 -10.198 1.00 0.21 N ATOM 483 CA TYR A 31 13.316 0.621 -9.813 1.00 0.22 C ATOM 484 C TYR A 31 13.056 1.465 -11.084 1.00 0.20 C ATOM 485 O TYR A 31 12.175 2.301 -11.137 1.00 0.25 O ATOM 486 CB TYR A 31 14.488 1.119 -9.010 1.00 0.24 C ATOM 487 CG TYR A 31 14.217 2.516 -8.503 1.00 0.24 C ATOM 488 CD1 TYR A 31 13.392 2.755 -7.432 1.00 0.30 C ATOM 489 CD2 TYR A 31 14.809 3.552 -9.152 1.00 0.38 C ATOM 490 CE1 TYR A 31 13.163 4.052 -7.021 1.00 0.29 C ATOM 491 CE2 TYR A 31 14.583 4.846 -8.745 1.00 0.39 C ATOM 492 CZ TYR A 31 13.754 5.106 -7.673 1.00 0.25 C ATOM 493 OH TYR A 31 13.512 6.400 -7.253 1.00 0.26 O ATOM 0 H TYR A 31 14.518 -1.152 -9.792 1.00 0.21 H new ATOM 0 HA TYR A 31 12.404 0.690 -9.220 1.00 0.22 H new ATOM 0 HB2 TYR A 31 14.674 0.449 -8.170 1.00 0.24 H new ATOM 0 HB3 TYR A 31 15.388 1.116 -9.625 1.00 0.24 H new ATOM 0 HD1 TYR A 31 12.924 1.931 -6.913 1.00 0.30 H new ATOM 0 HD2 TYR A 31 15.460 3.359 -9.992 1.00 0.38 H new ATOM 0 HE1 TYR A 31 12.513 4.240 -6.179 1.00 0.29 H new ATOM 0 HE2 TYR A 31 15.057 5.664 -9.268 1.00 0.39 H new ATOM 0 HH TYR A 31 14.008 7.026 -7.821 1.00 0.26 H new ATOM 503 N LYS A 32 13.857 1.228 -12.090 1.00 0.39 N ATOM 504 CA LYS A 32 13.695 1.967 -13.379 1.00 0.43 C ATOM 505 C LYS A 32 12.308 1.563 -13.863 1.00 0.35 C ATOM 506 O LYS A 32 11.474 2.413 -14.037 1.00 0.33 O ATOM 507 CB LYS A 32 14.801 1.503 -14.314 1.00 0.56 C ATOM 508 CG LYS A 32 16.155 2.133 -13.862 1.00 1.35 C ATOM 509 CD LYS A 32 16.188 3.655 -14.112 1.00 1.18 C ATOM 510 CE LYS A 32 16.001 3.901 -15.589 1.00 3.37 C ATOM 511 NZ LYS A 32 16.669 5.199 -15.887 1.00 4.57 N ATOM 0 H LYS A 32 14.620 0.551 -12.075 1.00 0.39 H new ATOM 0 HA LYS A 32 13.771 3.052 -13.308 1.00 0.43 H new ATOM 0 HB2 LYS A 32 14.871 0.415 -14.302 1.00 0.56 H new ATOM 0 HB3 LYS A 32 14.574 1.797 -15.339 1.00 0.56 H new ATOM 0 HG2 LYS A 32 16.313 1.935 -12.802 1.00 1.35 H new ATOM 0 HG3 LYS A 32 16.975 1.658 -14.400 1.00 1.35 H new ATOM 0 HD2 LYS A 32 15.401 4.150 -13.543 1.00 1.18 H new ATOM 0 HD3 LYS A 32 17.136 4.074 -13.775 1.00 1.18 H new ATOM 0 HE2 LYS A 32 16.440 3.094 -16.176 1.00 3.37 H new ATOM 0 HE3 LYS A 32 14.942 3.941 -15.845 1.00 3.37 H new ATOM 0 HZ1 LYS A 32 16.583 5.409 -16.902 1.00 4.57 H new ATOM 0 HZ2 LYS A 32 16.216 5.957 -15.338 1.00 4.57 H new ATOM 0 HZ3 LYS A 32 17.675 5.139 -15.630 1.00 4.57 H new ATOM 525 N GLN A 33 12.095 0.299 -14.090 1.00 0.32 N ATOM 526 CA GLN A 33 10.756 -0.187 -14.541 1.00 0.28 C ATOM 527 C GLN A 33 9.643 0.480 -13.682 1.00 0.21 C ATOM 528 O GLN A 33 8.852 1.265 -14.164 1.00 0.19 O ATOM 529 CB GLN A 33 10.752 -1.720 -14.377 1.00 0.26 C ATOM 530 CG GLN A 33 10.373 -2.362 -15.693 1.00 0.28 C ATOM 531 CD GLN A 33 9.036 -1.839 -16.204 1.00 0.34 C ATOM 532 OE1 GLN A 33 8.147 -1.488 -15.455 1.00 0.42 O ATOM 533 NE2 GLN A 33 8.876 -1.800 -17.487 1.00 0.43 N ATOM 0 H GLN A 33 12.799 -0.431 -13.982 1.00 0.32 H new ATOM 0 HA GLN A 33 10.563 0.074 -15.582 1.00 0.28 H new ATOM 0 HB2 GLN A 33 11.736 -2.066 -14.060 1.00 0.26 H new ATOM 0 HB3 GLN A 33 10.046 -2.012 -13.600 1.00 0.26 H new ATOM 0 HG2 GLN A 33 11.149 -2.164 -16.432 1.00 0.28 H new ATOM 0 HG3 GLN A 33 10.319 -3.444 -15.569 1.00 0.28 H new ATOM 0 HE21 GLN A 33 9.631 -2.098 -18.104 1.00 0.43 H new ATOM 0 HE22 GLN A 33 7.995 -1.471 -17.881 1.00 0.43 H new ATOM 542 N ALA A 34 9.644 0.140 -12.424 1.00 0.19 N ATOM 543 CA ALA A 34 8.664 0.660 -11.426 1.00 0.16 C ATOM 544 C ALA A 34 8.421 2.183 -11.507 1.00 0.23 C ATOM 545 O ALA A 34 7.314 2.625 -11.271 1.00 0.35 O ATOM 546 CB ALA A 34 9.179 0.271 -10.028 1.00 0.18 C ATOM 0 H ALA A 34 10.321 -0.512 -12.027 1.00 0.19 H new ATOM 0 HA ALA A 34 7.694 0.212 -11.643 1.00 0.16 H new ATOM 0 HB1 ALA A 34 8.486 0.636 -9.270 1.00 0.18 H new ATOM 0 HB2 ALA A 34 9.256 -0.814 -9.957 1.00 0.18 H new ATOM 0 HB3 ALA A 34 10.161 0.715 -9.865 1.00 0.18 H new ATOM 552 N THR A 35 9.421 2.954 -11.853 1.00 0.22 N ATOM 553 CA THR A 35 9.223 4.454 -11.928 1.00 0.23 C ATOM 554 C THR A 35 9.000 4.932 -13.371 1.00 0.17 C ATOM 555 O THR A 35 8.046 5.650 -13.626 1.00 0.14 O ATOM 556 CB THR A 35 10.465 5.207 -11.345 1.00 0.30 C ATOM 557 OG1 THR A 35 11.580 4.783 -12.110 1.00 0.32 O ATOM 558 CG2 THR A 35 10.843 4.764 -9.930 1.00 0.38 C ATOM 0 H THR A 35 10.358 2.626 -12.086 1.00 0.22 H new ATOM 0 HA THR A 35 8.335 4.680 -11.338 1.00 0.23 H new ATOM 0 HB THR A 35 10.226 6.270 -11.357 1.00 0.30 H new ATOM 0 HG1 THR A 35 11.947 3.960 -11.725 1.00 0.32 H new ATOM 0 HG21 THR A 35 11.712 5.329 -9.592 1.00 0.38 H new ATOM 0 HG22 THR A 35 10.006 4.947 -9.256 1.00 0.38 H new ATOM 0 HG23 THR A 35 11.080 3.700 -9.933 1.00 0.38 H new ATOM 566 N VAL A 36 9.856 4.505 -14.256 1.00 0.18 N ATOM 567 CA VAL A 36 9.788 4.883 -15.709 1.00 0.19 C ATOM 568 C VAL A 36 8.920 3.898 -16.524 1.00 0.19 C ATOM 569 O VAL A 36 8.050 4.322 -17.255 1.00 0.15 O ATOM 570 CB VAL A 36 11.275 4.937 -16.313 1.00 0.33 C ATOM 571 CG1 VAL A 36 11.167 5.343 -17.808 1.00 0.41 C ATOM 572 CG2 VAL A 36 12.082 6.023 -15.569 1.00 0.34 C ATOM 0 H VAL A 36 10.633 3.885 -14.029 1.00 0.18 H new ATOM 0 HA VAL A 36 9.318 5.864 -15.782 1.00 0.19 H new ATOM 0 HB VAL A 36 11.766 3.970 -16.204 1.00 0.33 H new ATOM 0 HG11 VAL A 36 12.164 5.388 -18.246 1.00 0.41 H new ATOM 0 HG12 VAL A 36 10.569 4.605 -18.343 1.00 0.41 H new ATOM 0 HG13 VAL A 36 10.692 6.321 -17.886 1.00 0.41 H new ATOM 0 HG21 VAL A 36 13.093 6.066 -15.973 1.00 0.34 H new ATOM 0 HG22 VAL A 36 11.597 6.990 -15.700 1.00 0.34 H new ATOM 0 HG23 VAL A 36 12.126 5.780 -14.507 1.00 0.34 H new ATOM 582 N GLY A 37 9.185 2.629 -16.376 1.00 0.23 N ATOM 583 CA GLY A 37 8.428 1.554 -17.107 1.00 0.24 C ATOM 584 C GLY A 37 9.349 0.921 -18.149 1.00 0.25 C ATOM 585 O GLY A 37 10.383 0.373 -17.814 1.00 0.03 O ATOM 0 H GLY A 37 9.917 2.275 -15.760 1.00 0.23 H new ATOM 0 HA2 GLY A 37 8.076 0.797 -16.406 1.00 0.24 H new ATOM 0 HA3 GLY A 37 7.546 1.976 -17.590 1.00 0.24 H new ATOM 589 N ASP A 38 8.915 1.022 -19.370 1.00 0.63 N ATOM 590 CA ASP A 38 9.645 0.490 -20.539 1.00 0.83 C ATOM 591 C ASP A 38 10.936 1.312 -20.637 1.00 0.82 C ATOM 592 O ASP A 38 11.210 2.183 -19.833 1.00 0.80 O ATOM 593 CB ASP A 38 8.734 0.702 -21.767 1.00 1.34 C ATOM 594 CG ASP A 38 7.291 0.576 -21.341 1.00 1.28 C ATOM 595 OD1 ASP A 38 6.890 -0.540 -21.088 1.00 3.22 O ATOM 596 OD2 ASP A 38 6.682 1.629 -21.271 1.00 0.91 O ATOM 0 H ASP A 38 8.035 1.478 -19.611 1.00 0.63 H new ATOM 0 HA ASP A 38 9.893 -0.569 -20.469 1.00 0.83 H new ATOM 0 HB2 ASP A 38 8.913 1.685 -22.202 1.00 1.34 H new ATOM 0 HB3 ASP A 38 8.964 -0.034 -22.537 1.00 1.34 H new ATOM 601 N ILE A 39 11.711 1.026 -21.634 1.00 1.07 N ATOM 602 CA ILE A 39 12.992 1.783 -21.813 1.00 1.24 C ATOM 603 C ILE A 39 12.885 2.499 -23.167 1.00 2.03 C ATOM 604 O ILE A 39 12.385 1.946 -24.131 1.00 2.43 O ATOM 605 CB ILE A 39 14.146 0.746 -21.754 1.00 0.89 C ATOM 606 CG1 ILE A 39 15.497 1.481 -21.610 1.00 0.93 C ATOM 607 CG2 ILE A 39 14.154 -0.130 -23.031 1.00 1.13 C ATOM 608 CD1 ILE A 39 16.568 0.432 -21.207 1.00 0.55 C ATOM 0 H ILE A 39 11.525 0.308 -22.334 1.00 1.07 H new ATOM 0 HA ILE A 39 13.184 2.532 -21.045 1.00 1.24 H new ATOM 0 HB ILE A 39 13.993 0.098 -20.891 1.00 0.89 H new ATOM 0 HG12 ILE A 39 15.770 1.965 -22.548 1.00 0.93 H new ATOM 0 HG13 ILE A 39 15.427 2.265 -20.855 1.00 0.93 H new ATOM 0 HG21 ILE A 39 14.969 -0.851 -22.972 1.00 1.13 H new ATOM 0 HG22 ILE A 39 13.206 -0.661 -23.114 1.00 1.13 H new ATOM 0 HG23 ILE A 39 14.293 0.504 -23.906 1.00 1.13 H new ATOM 0 HD11 ILE A 39 17.535 0.923 -21.098 1.00 0.55 H new ATOM 0 HD12 ILE A 39 16.287 -0.030 -20.261 1.00 0.55 H new ATOM 0 HD13 ILE A 39 16.635 -0.334 -21.979 1.00 0.55 H new ATOM 620 N ASN A 40 13.338 3.716 -23.260 1.00 2.51 N ATOM 621 CA ASN A 40 13.258 4.458 -24.560 1.00 3.47 C ATOM 622 C ASN A 40 14.582 5.247 -24.802 1.00 3.74 C ATOM 623 O ASN A 40 14.676 6.041 -25.719 1.00 4.91 O ATOM 624 CB ASN A 40 12.015 5.379 -24.457 1.00 4.00 C ATOM 625 CG ASN A 40 11.938 6.028 -23.075 1.00 3.95 C ATOM 626 OD1 ASN A 40 12.874 6.633 -22.599 1.00 3.90 O ATOM 627 ND2 ASN A 40 10.859 5.942 -22.370 1.00 4.20 N ATOM 0 H ASN A 40 13.763 4.236 -22.492 1.00 2.51 H new ATOM 0 HA ASN A 40 13.148 3.793 -25.416 1.00 3.47 H new ATOM 0 HB2 ASN A 40 12.063 6.151 -25.225 1.00 4.00 H new ATOM 0 HB3 ASN A 40 11.110 4.800 -24.644 1.00 4.00 H new ATOM 0 HD21 ASN A 40 10.817 6.375 -21.447 1.00 4.20 H new ATOM 0 HD22 ASN A 40 10.049 5.441 -22.736 1.00 4.20 H new ATOM 634 N THR A 41 15.549 4.988 -23.952 1.00 2.68 N ATOM 635 CA THR A 41 16.901 5.643 -24.011 1.00 2.81 C ATOM 636 C THR A 41 17.899 4.828 -24.823 1.00 2.54 C ATOM 637 O THR A 41 17.577 3.799 -25.387 1.00 2.33 O ATOM 638 CB THR A 41 17.479 5.820 -22.557 1.00 2.72 C ATOM 639 OG1 THR A 41 17.702 4.507 -22.042 1.00 2.43 O ATOM 640 CG2 THR A 41 16.417 6.344 -21.589 1.00 2.90 C ATOM 0 H THR A 41 15.452 4.321 -23.187 1.00 2.68 H new ATOM 0 HA THR A 41 16.762 6.610 -24.495 1.00 2.81 H new ATOM 0 HB THR A 41 18.345 6.479 -22.624 1.00 2.72 H new ATOM 0 HG1 THR A 41 18.065 4.569 -21.134 1.00 2.43 H new ATOM 0 HG21 THR A 41 16.852 6.454 -20.596 1.00 2.90 H new ATOM 0 HG22 THR A 41 16.055 7.312 -21.935 1.00 2.90 H new ATOM 0 HG23 THR A 41 15.586 5.640 -21.545 1.00 2.90 H new ATOM 648 N GLU A 42 19.098 5.328 -24.845 1.00 2.60 N ATOM 649 CA GLU A 42 20.193 4.659 -25.589 1.00 2.33 C ATOM 650 C GLU A 42 20.912 3.632 -24.680 1.00 2.10 C ATOM 651 O GLU A 42 20.603 3.484 -23.517 1.00 2.26 O ATOM 652 CB GLU A 42 21.116 5.805 -26.108 1.00 2.47 C ATOM 653 CG GLU A 42 21.598 6.743 -24.955 1.00 2.89 C ATOM 654 CD GLU A 42 22.418 7.912 -25.516 1.00 3.70 C ATOM 655 OE1 GLU A 42 21.868 8.646 -26.320 1.00 4.40 O ATOM 656 OE2 GLU A 42 23.556 7.994 -25.094 1.00 3.89 O ATOM 0 H GLU A 42 19.370 6.188 -24.370 1.00 2.60 H new ATOM 0 HA GLU A 42 19.837 4.073 -26.437 1.00 2.33 H new ATOM 0 HB2 GLU A 42 21.982 5.373 -26.609 1.00 2.47 H new ATOM 0 HB3 GLU A 42 20.579 6.393 -26.852 1.00 2.47 H new ATOM 0 HG2 GLU A 42 20.737 7.126 -24.407 1.00 2.89 H new ATOM 0 HG3 GLU A 42 22.201 6.176 -24.246 1.00 2.89 H new ATOM 663 N ARG A 43 21.884 2.973 -25.236 1.00 1.68 N ATOM 664 CA ARG A 43 22.659 1.926 -24.496 1.00 1.41 C ATOM 665 C ARG A 43 23.995 2.521 -23.961 1.00 1.38 C ATOM 666 O ARG A 43 24.819 2.886 -24.776 1.00 1.37 O ATOM 667 CB ARG A 43 22.829 0.781 -25.503 1.00 1.05 C ATOM 668 CG ARG A 43 23.289 -0.516 -24.799 1.00 0.87 C ATOM 669 CD ARG A 43 22.795 -1.676 -25.681 1.00 0.99 C ATOM 670 NE ARG A 43 23.108 -2.980 -24.991 1.00 1.38 N ATOM 671 CZ ARG A 43 23.733 -3.967 -25.505 1.00 0.39 C ATOM 672 NH1 ARG A 43 24.688 -3.782 -26.317 1.00 2.55 N ATOM 673 NH2 ARG A 43 23.329 -5.115 -25.145 1.00 1.60 N ATOM 0 H ARG A 43 22.187 3.116 -26.199 1.00 1.68 H new ATOM 0 HA ARG A 43 22.159 1.555 -23.602 1.00 1.41 H new ATOM 0 HB2 ARG A 43 21.885 0.603 -26.019 1.00 1.05 H new ATOM 0 HB3 ARG A 43 23.558 1.065 -26.262 1.00 1.05 H new ATOM 0 HG2 ARG A 43 24.374 -0.540 -24.695 1.00 0.87 H new ATOM 0 HG3 ARG A 43 22.871 -0.584 -23.795 1.00 0.87 H new ATOM 0 HD2 ARG A 43 21.722 -1.588 -25.853 1.00 0.99 H new ATOM 0 HD3 ARG A 43 23.279 -1.640 -26.657 1.00 0.99 H new ATOM 0 HE ARG A 43 22.792 -3.082 -24.027 1.00 1.38 H new ATOM 0 HH11 ARG A 43 24.967 -2.834 -26.568 1.00 2.55 H new ATOM 0 HH12 ARG A 43 25.178 -4.581 -26.719 1.00 2.55 H new ATOM 0 HH21 ARG A 43 22.554 -5.200 -24.487 1.00 1.60 H new ATOM 0 HH22 ARG A 43 23.779 -5.953 -25.513 1.00 1.60 H new ATOM 687 N PRO A 44 24.187 2.599 -22.647 1.00 1.63 N ATOM 688 CA PRO A 44 25.426 3.161 -21.999 1.00 1.86 C ATOM 689 C PRO A 44 26.690 3.118 -22.895 1.00 2.12 C ATOM 690 O PRO A 44 27.064 4.066 -23.557 1.00 3.63 O ATOM 691 CB PRO A 44 25.517 2.331 -20.627 1.00 1.92 C ATOM 692 CG PRO A 44 24.066 1.820 -20.378 1.00 2.59 C ATOM 693 CD PRO A 44 23.218 2.108 -21.630 1.00 2.00 C ATOM 0 HA PRO A 44 25.368 4.234 -21.819 1.00 1.86 H new ATOM 0 HB2 PRO A 44 26.220 1.502 -20.711 1.00 1.92 H new ATOM 0 HB3 PRO A 44 25.862 2.959 -19.806 1.00 1.92 H new ATOM 0 HG2 PRO A 44 24.074 0.751 -20.165 1.00 2.59 H new ATOM 0 HG3 PRO A 44 23.635 2.316 -19.508 1.00 2.59 H new ATOM 0 HD2 PRO A 44 22.705 1.210 -21.975 1.00 2.00 H new ATOM 0 HD3 PRO A 44 22.450 2.854 -21.424 1.00 2.00 H new ATOM 701 N GLY A 45 27.341 1.995 -22.843 1.00 2.26 N ATOM 702 CA GLY A 45 28.579 1.770 -23.660 1.00 2.17 C ATOM 703 C GLY A 45 29.789 2.281 -22.906 1.00 2.41 C ATOM 704 O GLY A 45 30.721 1.557 -22.631 1.00 2.31 O ATOM 0 H GLY A 45 27.069 1.203 -22.260 1.00 2.26 H new ATOM 0 HA2 GLY A 45 28.695 0.708 -23.876 1.00 2.17 H new ATOM 0 HA3 GLY A 45 28.492 2.283 -24.618 1.00 2.17 H new ATOM 708 N MET A 46 29.645 3.540 -22.603 1.00 3.11 N ATOM 709 CA MET A 46 30.638 4.393 -21.873 1.00 3.86 C ATOM 710 C MET A 46 31.802 3.763 -21.104 1.00 3.47 C ATOM 711 O MET A 46 32.931 4.026 -21.460 1.00 4.33 O ATOM 712 CB MET A 46 29.868 5.289 -20.878 1.00 4.62 C ATOM 713 CG MET A 46 28.996 6.318 -21.598 1.00 5.53 C ATOM 714 SD MET A 46 28.508 7.733 -20.584 1.00 5.20 S ATOM 715 CE MET A 46 30.018 8.698 -20.842 1.00 3.12 C ATOM 0 H MET A 46 28.803 4.058 -22.855 1.00 3.11 H new ATOM 0 HA MET A 46 31.140 4.895 -22.700 1.00 3.86 H new ATOM 0 HB2 MET A 46 29.243 4.667 -20.238 1.00 4.62 H new ATOM 0 HB3 MET A 46 30.576 5.804 -20.229 1.00 4.62 H new ATOM 0 HG2 MET A 46 29.535 6.683 -22.472 1.00 5.53 H new ATOM 0 HG3 MET A 46 28.097 5.821 -21.962 1.00 5.53 H new ATOM 0 HE1 MET A 46 29.946 9.639 -20.297 1.00 3.12 H new ATOM 0 HE2 MET A 46 30.877 8.134 -20.479 1.00 3.12 H new ATOM 0 HE3 MET A 46 30.142 8.903 -21.905 1.00 3.12 H new ATOM 725 N LEU A 47 31.543 2.970 -20.100 1.00 2.44 N ATOM 726 CA LEU A 47 32.699 2.376 -19.361 1.00 2.64 C ATOM 727 C LEU A 47 33.184 1.072 -19.987 1.00 2.76 C ATOM 728 O LEU A 47 34.279 1.049 -20.504 1.00 3.96 O ATOM 729 CB LEU A 47 32.275 2.156 -17.866 1.00 1.84 C ATOM 730 CG LEU A 47 32.088 3.540 -17.171 1.00 2.84 C ATOM 731 CD1 LEU A 47 30.679 4.119 -17.380 1.00 5.64 C ATOM 732 CD2 LEU A 47 32.385 3.448 -15.668 1.00 2.29 C ATOM 0 H LEU A 47 30.614 2.712 -19.766 1.00 2.44 H new ATOM 0 HA LEU A 47 33.539 3.068 -19.417 1.00 2.64 H new ATOM 0 HB2 LEU A 47 31.347 1.585 -17.820 1.00 1.84 H new ATOM 0 HB3 LEU A 47 33.034 1.574 -17.343 1.00 1.84 H new ATOM 0 HG LEU A 47 32.802 4.216 -17.642 1.00 2.84 H new ATOM 0 HD11 LEU A 47 30.603 5.082 -16.876 1.00 5.64 H new ATOM 0 HD12 LEU A 47 30.495 4.252 -18.446 1.00 5.64 H new ATOM 0 HD13 LEU A 47 29.939 3.434 -16.966 1.00 5.64 H new ATOM 0 HD21 LEU A 47 32.247 4.427 -15.209 1.00 2.29 H new ATOM 0 HD22 LEU A 47 31.706 2.732 -15.206 1.00 2.29 H new ATOM 0 HD23 LEU A 47 33.414 3.120 -15.520 1.00 2.29 H new ATOM 744 N ASP A 48 32.355 0.067 -19.939 1.00 2.07 N ATOM 745 CA ASP A 48 32.693 -1.287 -20.504 1.00 3.04 C ATOM 746 C ASP A 48 31.843 -2.343 -19.794 1.00 2.93 C ATOM 747 O ASP A 48 31.194 -3.184 -20.386 1.00 3.61 O ATOM 748 CB ASP A 48 34.237 -1.659 -20.275 1.00 3.90 C ATOM 749 CG ASP A 48 34.808 -1.455 -18.842 1.00 5.23 C ATOM 750 OD1 ASP A 48 34.167 -0.783 -18.047 1.00 5.44 O ATOM 751 OD2 ASP A 48 35.882 -2.002 -18.636 1.00 6.52 O ATOM 0 H ASP A 48 31.427 0.122 -19.520 1.00 2.07 H new ATOM 0 HA ASP A 48 32.494 -1.262 -21.575 1.00 3.04 H new ATOM 0 HB2 ASP A 48 34.378 -2.704 -20.550 1.00 3.90 H new ATOM 0 HB3 ASP A 48 34.835 -1.064 -20.966 1.00 3.90 H new ATOM 756 N PHE A 49 31.920 -2.185 -18.520 1.00 2.40 N ATOM 757 CA PHE A 49 31.269 -2.992 -17.478 1.00 2.41 C ATOM 758 C PHE A 49 29.742 -2.745 -17.317 1.00 1.94 C ATOM 759 O PHE A 49 28.981 -2.384 -18.198 1.00 3.37 O ATOM 760 CB PHE A 49 32.094 -2.653 -16.174 1.00 2.88 C ATOM 761 CG PHE A 49 31.472 -1.426 -15.435 1.00 2.96 C ATOM 762 CD1 PHE A 49 30.955 -0.360 -16.149 1.00 4.12 C ATOM 763 CD2 PHE A 49 31.391 -1.369 -14.055 1.00 2.83 C ATOM 764 CE1 PHE A 49 30.377 0.716 -15.518 1.00 5.19 C ATOM 765 CE2 PHE A 49 30.815 -0.292 -13.421 1.00 3.22 C ATOM 766 CZ PHE A 49 30.304 0.751 -14.150 1.00 4.60 C ATOM 0 H PHE A 49 32.480 -1.433 -18.118 1.00 2.40 H new ATOM 0 HA PHE A 49 31.288 -4.052 -17.731 1.00 2.41 H new ATOM 0 HB2 PHE A 49 32.106 -3.517 -15.510 1.00 2.88 H new ATOM 0 HB3 PHE A 49 33.130 -2.439 -16.438 1.00 2.88 H new ATOM 0 HD1 PHE A 49 31.007 -0.373 -17.228 1.00 4.12 H new ATOM 0 HD2 PHE A 49 31.786 -2.183 -13.466 1.00 2.83 H new ATOM 0 HE1 PHE A 49 29.980 1.534 -16.101 1.00 5.19 H new ATOM 0 HE2 PHE A 49 30.765 -0.268 -12.342 1.00 3.22 H new ATOM 0 HZ PHE A 49 29.848 1.593 -13.650 1.00 4.60 H new ATOM 776 N LYS A 50 29.401 -2.988 -16.083 1.00 1.00 N ATOM 777 CA LYS A 50 28.052 -2.882 -15.449 1.00 1.95 C ATOM 778 C LYS A 50 27.173 -1.836 -16.139 1.00 1.91 C ATOM 779 O LYS A 50 25.975 -1.987 -16.277 1.00 3.38 O ATOM 780 CB LYS A 50 28.293 -2.541 -13.978 1.00 2.48 C ATOM 781 CG LYS A 50 28.890 -3.707 -13.093 1.00 4.00 C ATOM 782 CD LYS A 50 30.114 -4.498 -13.641 1.00 6.10 C ATOM 783 CE LYS A 50 30.948 -5.159 -12.519 1.00 6.11 C ATOM 784 NZ LYS A 50 30.068 -5.852 -11.535 1.00 7.17 N ATOM 0 H LYS A 50 30.100 -3.295 -15.407 1.00 1.00 H new ATOM 0 HA LYS A 50 27.506 -3.820 -15.547 1.00 1.95 H new ATOM 0 HB2 LYS A 50 28.970 -1.688 -13.928 1.00 2.48 H new ATOM 0 HB3 LYS A 50 27.348 -2.223 -13.538 1.00 2.48 H new ATOM 0 HG2 LYS A 50 29.173 -3.282 -12.130 1.00 4.00 H new ATOM 0 HG3 LYS A 50 28.090 -4.423 -12.903 1.00 4.00 H new ATOM 0 HD2 LYS A 50 29.765 -5.267 -14.330 1.00 6.10 H new ATOM 0 HD3 LYS A 50 30.751 -3.823 -14.212 1.00 6.10 H new ATOM 0 HE2 LYS A 50 31.647 -5.874 -12.954 1.00 6.11 H new ATOM 0 HE3 LYS A 50 31.543 -4.401 -12.009 1.00 6.11 H new ATOM 0 HZ1 LYS A 50 30.579 -5.974 -10.637 1.00 7.17 H new ATOM 0 HZ2 LYS A 50 29.213 -5.282 -11.372 1.00 7.17 H new ATOM 0 HZ3 LYS A 50 29.797 -6.784 -11.908 1.00 7.17 H new ATOM 798 N GLY A 51 27.815 -0.771 -16.533 1.00 0.54 N ATOM 799 CA GLY A 51 27.143 0.374 -17.253 1.00 0.76 C ATOM 800 C GLY A 51 26.079 -0.182 -18.212 1.00 0.55 C ATOM 801 O GLY A 51 24.953 0.250 -18.206 1.00 0.45 O ATOM 0 H GLY A 51 28.815 -0.633 -16.384 1.00 0.54 H new ATOM 0 HA2 GLY A 51 26.682 1.051 -16.533 1.00 0.76 H new ATOM 0 HA3 GLY A 51 27.881 0.953 -17.807 1.00 0.76 H new ATOM 805 N LYS A 52 26.448 -1.139 -19.027 1.00 0.58 N ATOM 806 CA LYS A 52 25.468 -1.757 -20.008 1.00 0.50 C ATOM 807 C LYS A 52 24.503 -2.756 -19.336 1.00 0.32 C ATOM 808 O LYS A 52 23.308 -2.720 -19.533 1.00 0.39 O ATOM 809 CB LYS A 52 26.268 -2.485 -21.123 1.00 0.60 C ATOM 810 CG LYS A 52 27.000 -1.465 -22.039 1.00 0.68 C ATOM 811 CD LYS A 52 28.424 -1.059 -21.493 1.00 2.35 C ATOM 812 CE LYS A 52 29.502 -1.379 -22.557 1.00 2.32 C ATOM 813 NZ LYS A 52 29.984 -2.786 -22.405 1.00 2.49 N ATOM 0 H LYS A 52 27.390 -1.529 -19.064 1.00 0.58 H new ATOM 0 HA LYS A 52 24.860 -0.952 -20.421 1.00 0.50 H new ATOM 0 HB2 LYS A 52 26.994 -3.161 -20.672 1.00 0.60 H new ATOM 0 HB3 LYS A 52 25.592 -3.096 -21.721 1.00 0.60 H new ATOM 0 HG2 LYS A 52 27.107 -1.892 -23.036 1.00 0.68 H new ATOM 0 HG3 LYS A 52 26.387 -0.570 -22.140 1.00 0.68 H new ATOM 0 HD2 LYS A 52 28.442 0.004 -21.251 1.00 2.35 H new ATOM 0 HD3 LYS A 52 28.638 -1.599 -20.571 1.00 2.35 H new ATOM 0 HE2 LYS A 52 29.090 -1.235 -23.556 1.00 2.32 H new ATOM 0 HE3 LYS A 52 30.339 -0.688 -22.455 1.00 2.32 H new ATOM 0 HZ1 LYS A 52 30.694 -2.991 -23.137 1.00 2.49 H new ATOM 0 HZ2 LYS A 52 30.411 -2.907 -21.464 1.00 2.49 H new ATOM 0 HZ3 LYS A 52 29.182 -3.441 -22.508 1.00 2.49 H new ATOM 827 N ALA A 53 25.095 -3.597 -18.548 1.00 0.29 N ATOM 828 CA ALA A 53 24.331 -4.633 -17.816 1.00 0.26 C ATOM 829 C ALA A 53 23.036 -3.987 -17.236 1.00 0.35 C ATOM 830 O ALA A 53 21.962 -4.504 -17.445 1.00 0.27 O ATOM 831 CB ALA A 53 25.239 -5.184 -16.714 1.00 0.28 C ATOM 0 H ALA A 53 26.100 -3.610 -18.376 1.00 0.29 H new ATOM 0 HA ALA A 53 24.028 -5.453 -18.466 1.00 0.26 H new ATOM 0 HB1 ALA A 53 24.706 -5.952 -16.153 1.00 0.28 H new ATOM 0 HB2 ALA A 53 26.133 -5.617 -17.162 1.00 0.28 H new ATOM 0 HB3 ALA A 53 25.525 -4.376 -16.041 1.00 0.28 H new ATOM 837 N LYS A 54 23.168 -2.869 -16.550 1.00 0.53 N ATOM 838 CA LYS A 54 21.948 -2.204 -15.967 1.00 0.64 C ATOM 839 C LYS A 54 20.937 -1.611 -16.982 1.00 0.65 C ATOM 840 O LYS A 54 19.848 -1.239 -16.600 1.00 0.66 O ATOM 841 CB LYS A 54 22.423 -1.092 -15.023 1.00 0.71 C ATOM 842 CG LYS A 54 22.929 0.143 -15.808 1.00 0.91 C ATOM 843 CD LYS A 54 23.580 1.040 -14.765 1.00 1.06 C ATOM 844 CE LYS A 54 24.144 2.366 -15.311 1.00 1.77 C ATOM 845 NZ LYS A 54 23.546 3.513 -14.556 1.00 0.79 N ATOM 0 H LYS A 54 24.053 -2.394 -16.370 1.00 0.53 H new ATOM 0 HA LYS A 54 21.393 -2.994 -15.461 1.00 0.64 H new ATOM 0 HB2 LYS A 54 21.604 -0.797 -14.367 1.00 0.71 H new ATOM 0 HB3 LYS A 54 23.222 -1.471 -14.386 1.00 0.71 H new ATOM 0 HG2 LYS A 54 23.643 -0.146 -16.579 1.00 0.91 H new ATOM 0 HG3 LYS A 54 22.107 0.654 -16.310 1.00 0.91 H new ATOM 0 HD2 LYS A 54 22.846 1.265 -13.992 1.00 1.06 H new ATOM 0 HD3 LYS A 54 24.389 0.488 -14.286 1.00 1.06 H new ATOM 0 HE2 LYS A 54 25.230 2.379 -15.213 1.00 1.77 H new ATOM 0 HE3 LYS A 54 23.918 2.459 -16.373 1.00 1.77 H new ATOM 0 HZ1 LYS A 54 24.137 4.359 -14.684 1.00 0.79 H new ATOM 0 HZ2 LYS A 54 22.588 3.703 -14.914 1.00 0.79 H new ATOM 0 HZ3 LYS A 54 23.497 3.275 -13.545 1.00 0.79 H new ATOM 859 N TRP A 55 21.271 -1.528 -18.237 1.00 0.64 N ATOM 860 CA TRP A 55 20.352 -0.961 -19.292 1.00 0.64 C ATOM 861 C TRP A 55 19.667 -2.148 -19.966 1.00 0.60 C ATOM 862 O TRP A 55 18.483 -2.202 -20.236 1.00 0.67 O ATOM 863 CB TRP A 55 21.174 -0.249 -20.324 1.00 0.72 C ATOM 864 CG TRP A 55 20.267 0.538 -21.281 1.00 0.82 C ATOM 865 CD1 TRP A 55 19.850 1.817 -21.072 1.00 1.06 C ATOM 866 CD2 TRP A 55 19.752 0.078 -22.451 1.00 0.77 C ATOM 867 NE1 TRP A 55 19.102 2.058 -22.137 1.00 1.14 N ATOM 868 CE2 TRP A 55 18.979 1.082 -23.018 1.00 1.00 C ATOM 869 CE3 TRP A 55 19.862 -1.147 -23.118 1.00 0.59 C ATOM 870 CZ2 TRP A 55 18.322 0.882 -24.224 1.00 1.09 C ATOM 871 CZ3 TRP A 55 19.204 -1.357 -24.330 1.00 0.71 C ATOM 872 CH2 TRP A 55 18.430 -0.337 -24.886 1.00 0.97 C ATOM 0 H TRP A 55 22.173 -1.838 -18.599 1.00 0.64 H new ATOM 0 HA TRP A 55 19.631 -0.271 -18.854 1.00 0.64 H new ATOM 0 HB2 TRP A 55 21.874 0.429 -19.836 1.00 0.72 H new ATOM 0 HB3 TRP A 55 21.768 -0.970 -20.886 1.00 0.72 H new ATOM 0 HD1 TRP A 55 20.074 2.472 -20.243 1.00 1.06 H new ATOM 0 HE1 TRP A 55 18.641 2.958 -22.271 1.00 1.14 H new ATOM 0 HE3 TRP A 55 20.462 -1.937 -22.691 1.00 0.59 H new ATOM 0 HZ2 TRP A 55 17.725 1.675 -24.650 1.00 1.09 H new ATOM 0 HZ3 TRP A 55 19.293 -2.306 -24.837 1.00 0.71 H new ATOM 0 HH2 TRP A 55 17.918 -0.493 -25.824 1.00 0.97 H new ATOM 883 N ASP A 56 20.519 -3.109 -20.142 1.00 0.50 N ATOM 884 CA ASP A 56 20.149 -4.382 -20.785 1.00 0.51 C ATOM 885 C ASP A 56 19.160 -4.972 -19.776 1.00 0.52 C ATOM 886 O ASP A 56 18.028 -5.261 -20.099 1.00 0.53 O ATOM 887 CB ASP A 56 21.541 -5.045 -20.988 1.00 0.58 C ATOM 888 CG ASP A 56 22.009 -4.592 -22.368 1.00 0.61 C ATOM 889 OD1 ASP A 56 21.237 -4.760 -23.295 1.00 0.59 O ATOM 890 OD2 ASP A 56 23.108 -4.092 -22.492 1.00 0.70 O ATOM 0 H ASP A 56 21.496 -3.057 -19.853 1.00 0.50 H new ATOM 0 HA ASP A 56 19.648 -4.434 -21.752 1.00 0.51 H new ATOM 0 HB2 ASP A 56 22.242 -4.733 -20.214 1.00 0.58 H new ATOM 0 HB3 ASP A 56 21.470 -6.131 -20.934 1.00 0.58 H new ATOM 895 N ALA A 57 19.590 -5.119 -18.560 1.00 0.50 N ATOM 896 CA ALA A 57 18.733 -5.659 -17.473 1.00 0.60 C ATOM 897 C ALA A 57 17.346 -4.924 -17.437 1.00 0.56 C ATOM 898 O ALA A 57 16.362 -5.467 -16.993 1.00 0.65 O ATOM 899 CB ALA A 57 19.531 -5.471 -16.178 1.00 0.60 C ATOM 0 H ALA A 57 20.536 -4.878 -18.263 1.00 0.50 H new ATOM 0 HA ALA A 57 18.497 -6.712 -17.623 1.00 0.60 H new ATOM 0 HB1 ALA A 57 18.952 -5.850 -15.336 1.00 0.60 H new ATOM 0 HB2 ALA A 57 20.472 -6.017 -16.248 1.00 0.60 H new ATOM 0 HB3 ALA A 57 19.737 -4.411 -16.028 1.00 0.60 H new ATOM 905 N TRP A 58 17.288 -3.697 -17.899 1.00 0.43 N ATOM 906 CA TRP A 58 15.988 -2.915 -17.912 1.00 0.35 C ATOM 907 C TRP A 58 15.289 -3.199 -19.279 1.00 0.34 C ATOM 908 O TRP A 58 14.090 -3.331 -19.412 1.00 0.35 O ATOM 909 CB TRP A 58 16.336 -1.406 -17.715 1.00 0.42 C ATOM 910 CG TRP A 58 15.062 -0.532 -17.699 1.00 0.42 C ATOM 911 CD1 TRP A 58 13.802 -0.993 -17.449 1.00 0.20 C ATOM 912 CD2 TRP A 58 14.997 0.804 -17.951 1.00 0.66 C ATOM 913 NE1 TRP A 58 13.067 0.100 -17.578 1.00 0.33 N ATOM 914 CE2 TRP A 58 13.681 1.223 -17.873 1.00 0.60 C ATOM 915 CE3 TRP A 58 15.976 1.746 -18.247 1.00 0.96 C ATOM 916 CZ2 TRP A 58 13.325 2.549 -18.087 1.00 0.83 C ATOM 917 CZ3 TRP A 58 15.620 3.092 -18.460 1.00 1.18 C ATOM 918 CH2 TRP A 58 14.299 3.489 -18.381 1.00 1.12 C ATOM 0 H TRP A 58 18.090 -3.190 -18.274 1.00 0.43 H new ATOM 0 HA TRP A 58 15.306 -3.206 -17.113 1.00 0.35 H new ATOM 0 HB2 TRP A 58 16.881 -1.276 -16.780 1.00 0.42 H new ATOM 0 HB3 TRP A 58 16.996 -1.075 -18.517 1.00 0.42 H new ATOM 0 HD1 TRP A 58 13.485 -1.997 -17.207 1.00 0.20 H new ATOM 0 HE1 TRP A 58 12.055 0.071 -17.452 1.00 0.33 H new ATOM 0 HE3 TRP A 58 17.011 1.445 -18.314 1.00 0.96 H new ATOM 0 HZ2 TRP A 58 12.289 2.847 -18.024 1.00 0.83 H new ATOM 0 HZ3 TRP A 58 16.385 3.819 -18.687 1.00 1.18 H new ATOM 0 HH2 TRP A 58 14.029 4.521 -18.547 1.00 1.12 H new ATOM 929 N ASN A 59 16.093 -3.324 -20.293 1.00 0.35 N ATOM 930 CA ASN A 59 15.630 -3.608 -21.696 1.00 0.37 C ATOM 931 C ASN A 59 14.891 -4.993 -21.603 1.00 0.49 C ATOM 932 O ASN A 59 13.961 -5.310 -22.328 1.00 0.82 O ATOM 933 CB ASN A 59 16.926 -3.576 -22.529 1.00 0.27 C ATOM 934 CG ASN A 59 16.803 -4.273 -23.855 1.00 0.57 C ATOM 935 OD1 ASN A 59 15.797 -4.222 -24.533 1.00 1.02 O ATOM 936 ND2 ASN A 59 17.822 -4.948 -24.278 1.00 0.60 N ATOM 0 H ASN A 59 17.106 -3.238 -20.210 1.00 0.35 H new ATOM 0 HA ASN A 59 14.929 -2.915 -22.162 1.00 0.37 H new ATOM 0 HB2 ASN A 59 17.214 -2.539 -22.698 1.00 0.27 H new ATOM 0 HB3 ASN A 59 17.728 -4.041 -21.956 1.00 0.27 H new ATOM 0 HD21 ASN A 59 17.776 -5.432 -25.175 1.00 0.60 H new ATOM 0 HD22 ASN A 59 18.671 -4.996 -23.715 1.00 0.60 H new ATOM 943 N GLU A 60 15.406 -5.763 -20.682 1.00 0.23 N ATOM 944 CA GLU A 60 14.897 -7.130 -20.338 1.00 0.29 C ATOM 945 C GLU A 60 13.488 -7.029 -19.658 1.00 0.34 C ATOM 946 O GLU A 60 12.695 -7.945 -19.665 1.00 0.36 O ATOM 947 CB GLU A 60 15.960 -7.747 -19.417 1.00 0.33 C ATOM 948 CG GLU A 60 15.513 -9.131 -18.871 1.00 0.32 C ATOM 949 CD GLU A 60 15.395 -10.211 -19.955 1.00 2.30 C ATOM 950 OE1 GLU A 60 16.108 -10.136 -20.944 1.00 4.12 O ATOM 951 OE2 GLU A 60 14.579 -11.082 -19.711 1.00 3.50 O ATOM 0 H GLU A 60 16.209 -5.482 -20.119 1.00 0.23 H new ATOM 0 HA GLU A 60 14.752 -7.758 -21.217 1.00 0.29 H new ATOM 0 HB2 GLU A 60 16.896 -7.857 -19.964 1.00 0.33 H new ATOM 0 HB3 GLU A 60 16.155 -7.073 -18.583 1.00 0.33 H new ATOM 0 HG2 GLU A 60 16.227 -9.462 -18.116 1.00 0.32 H new ATOM 0 HG3 GLU A 60 14.550 -9.022 -18.373 1.00 0.32 H new ATOM 958 N LEU A 61 13.218 -5.886 -19.098 1.00 0.38 N ATOM 959 CA LEU A 61 11.929 -5.567 -18.386 1.00 0.45 C ATOM 960 C LEU A 61 11.356 -4.353 -19.146 1.00 0.47 C ATOM 961 O LEU A 61 10.854 -3.404 -18.573 1.00 0.75 O ATOM 962 CB LEU A 61 12.192 -5.151 -16.916 1.00 0.47 C ATOM 963 CG LEU A 61 13.245 -6.023 -16.242 1.00 0.50 C ATOM 964 CD1 LEU A 61 13.387 -5.546 -14.812 1.00 0.60 C ATOM 965 CD2 LEU A 61 12.786 -7.473 -16.227 1.00 0.44 C ATOM 0 H LEU A 61 13.875 -5.106 -19.101 1.00 0.38 H new ATOM 0 HA LEU A 61 11.261 -6.428 -18.369 1.00 0.45 H new ATOM 0 HB2 LEU A 61 12.515 -4.110 -16.889 1.00 0.47 H new ATOM 0 HB3 LEU A 61 11.261 -5.211 -16.353 1.00 0.47 H new ATOM 0 HG LEU A 61 14.190 -5.953 -16.781 1.00 0.50 H new ATOM 0 HD11 LEU A 61 14.135 -6.151 -14.299 1.00 0.60 H new ATOM 0 HD12 LEU A 61 13.698 -4.501 -14.806 1.00 0.60 H new ATOM 0 HD13 LEU A 61 12.430 -5.642 -14.300 1.00 0.60 H new ATOM 0 HD21 LEU A 61 13.544 -8.090 -15.744 1.00 0.44 H new ATOM 0 HD22 LEU A 61 11.849 -7.552 -15.676 1.00 0.44 H new ATOM 0 HD23 LEU A 61 12.636 -7.818 -17.250 1.00 0.44 H new ATOM 977 N LYS A 62 11.461 -4.432 -20.443 1.00 0.77 N ATOM 978 CA LYS A 62 10.976 -3.355 -21.360 1.00 0.84 C ATOM 979 C LYS A 62 9.507 -3.288 -21.662 1.00 0.86 C ATOM 980 O LYS A 62 9.072 -2.261 -22.126 1.00 0.90 O ATOM 981 CB LYS A 62 11.844 -3.532 -22.619 1.00 1.02 C ATOM 982 CG LYS A 62 11.423 -2.712 -23.850 1.00 1.38 C ATOM 983 CD LYS A 62 12.393 -3.076 -25.025 1.00 2.44 C ATOM 984 CE LYS A 62 12.284 -4.578 -25.397 1.00 4.68 C ATOM 985 NZ LYS A 62 13.448 -5.334 -24.808 1.00 7.08 N ATOM 0 H LYS A 62 11.879 -5.228 -20.925 1.00 0.77 H new ATOM 0 HA LYS A 62 11.086 -2.390 -20.865 1.00 0.84 H new ATOM 0 HB2 LYS A 62 12.872 -3.270 -22.367 1.00 1.02 H new ATOM 0 HB3 LYS A 62 11.842 -4.587 -22.892 1.00 1.02 H new ATOM 0 HG2 LYS A 62 10.392 -2.936 -24.123 1.00 1.38 H new ATOM 0 HG3 LYS A 62 11.471 -1.645 -23.632 1.00 1.38 H new ATOM 0 HD2 LYS A 62 12.158 -2.465 -25.896 1.00 2.44 H new ATOM 0 HD3 LYS A 62 13.419 -2.843 -24.739 1.00 2.44 H new ATOM 0 HE2 LYS A 62 11.346 -4.988 -25.023 1.00 4.68 H new ATOM 0 HE3 LYS A 62 12.274 -4.694 -26.481 1.00 4.68 H new ATOM 0 HZ1 LYS A 62 13.645 -6.175 -25.387 1.00 7.08 H new ATOM 0 HZ2 LYS A 62 14.288 -4.721 -24.792 1.00 7.08 H new ATOM 0 HZ3 LYS A 62 13.216 -5.629 -23.838 1.00 7.08 H new ATOM 999 N GLY A 63 8.773 -4.329 -21.440 1.00 0.85 N ATOM 1000 CA GLY A 63 7.288 -4.298 -21.708 1.00 0.86 C ATOM 1001 C GLY A 63 6.676 -4.822 -20.399 1.00 0.68 C ATOM 1002 O GLY A 63 5.731 -5.589 -20.368 1.00 0.77 O ATOM 0 H GLY A 63 9.125 -5.217 -21.081 1.00 0.85 H new ATOM 0 HA2 GLY A 63 6.943 -3.290 -21.937 1.00 0.86 H new ATOM 0 HA3 GLY A 63 7.020 -4.927 -22.557 1.00 0.86 H new ATOM 1006 N THR A 64 7.290 -4.351 -19.342 1.00 0.46 N ATOM 1007 CA THR A 64 6.873 -4.727 -17.953 1.00 0.23 C ATOM 1008 C THR A 64 5.975 -3.634 -17.364 1.00 0.24 C ATOM 1009 O THR A 64 5.987 -2.501 -17.811 1.00 0.42 O ATOM 1010 CB THR A 64 8.135 -4.899 -17.058 1.00 0.15 C ATOM 1011 OG1 THR A 64 8.934 -5.900 -17.668 1.00 0.25 O ATOM 1012 CG2 THR A 64 7.810 -5.497 -15.678 1.00 0.15 C ATOM 0 H THR A 64 8.080 -3.707 -19.384 1.00 0.46 H new ATOM 0 HA THR A 64 6.320 -5.666 -17.988 1.00 0.23 H new ATOM 0 HB THR A 64 8.593 -3.916 -16.950 1.00 0.15 H new ATOM 0 HG1 THR A 64 9.443 -6.377 -16.980 1.00 0.25 H new ATOM 0 HG21 THR A 64 8.728 -5.594 -15.098 1.00 0.15 H new ATOM 0 HG22 THR A 64 7.116 -4.842 -15.152 1.00 0.15 H new ATOM 0 HG23 THR A 64 7.356 -6.480 -15.805 1.00 0.15 H new ATOM 1020 N SER A 65 5.247 -4.066 -16.369 1.00 0.24 N ATOM 1021 CA SER A 65 4.282 -3.241 -15.597 1.00 0.27 C ATOM 1022 C SER A 65 4.902 -2.719 -14.284 1.00 0.22 C ATOM 1023 O SER A 65 5.336 -3.458 -13.414 1.00 0.26 O ATOM 1024 CB SER A 65 3.046 -4.120 -15.308 1.00 0.44 C ATOM 1025 OG SER A 65 3.593 -5.405 -15.000 1.00 1.55 O ATOM 0 H SER A 65 5.292 -5.031 -16.042 1.00 0.24 H new ATOM 0 HA SER A 65 4.002 -2.362 -16.177 1.00 0.27 H new ATOM 0 HB2 SER A 65 2.463 -3.726 -14.476 1.00 0.44 H new ATOM 0 HB3 SER A 65 2.380 -4.167 -16.170 1.00 0.44 H new ATOM 0 HG SER A 65 3.249 -5.708 -14.134 1.00 1.55 H new ATOM 1031 N LYS A 66 4.928 -1.413 -14.204 1.00 0.11 N ATOM 1032 CA LYS A 66 5.488 -0.692 -13.012 1.00 0.07 C ATOM 1033 C LYS A 66 5.202 -1.457 -11.706 1.00 0.05 C ATOM 1034 O LYS A 66 6.056 -1.805 -10.914 1.00 0.16 O ATOM 1035 CB LYS A 66 4.865 0.744 -13.003 1.00 0.10 C ATOM 1036 CG LYS A 66 5.347 1.506 -14.267 1.00 0.20 C ATOM 1037 CD LYS A 66 4.642 2.888 -14.416 1.00 0.36 C ATOM 1038 CE LYS A 66 5.135 3.881 -13.368 1.00 1.93 C ATOM 1039 NZ LYS A 66 4.733 5.262 -13.812 1.00 3.55 N ATOM 0 H LYS A 66 4.575 -0.796 -14.935 1.00 0.11 H new ATOM 0 HA LYS A 66 6.574 -0.624 -13.080 1.00 0.07 H new ATOM 0 HB2 LYS A 66 3.777 0.683 -12.991 1.00 0.10 H new ATOM 0 HB3 LYS A 66 5.164 1.280 -12.102 1.00 0.10 H new ATOM 0 HG2 LYS A 66 6.426 1.653 -14.213 1.00 0.20 H new ATOM 0 HG3 LYS A 66 5.151 0.901 -15.152 1.00 0.20 H new ATOM 0 HD2 LYS A 66 4.828 3.287 -15.413 1.00 0.36 H new ATOM 0 HD3 LYS A 66 3.564 2.760 -14.319 1.00 0.36 H new ATOM 0 HE2 LYS A 66 4.703 3.653 -12.394 1.00 1.93 H new ATOM 0 HE3 LYS A 66 6.218 3.815 -13.260 1.00 1.93 H new ATOM 0 HZ1 LYS A 66 5.058 5.960 -13.113 1.00 3.55 H new ATOM 0 HZ2 LYS A 66 5.165 5.469 -14.735 1.00 3.55 H new ATOM 0 HZ3 LYS A 66 3.698 5.312 -13.895 1.00 3.55 H new ATOM 1053 N GLU A 67 3.944 -1.688 -11.540 1.00 0.07 N ATOM 1054 CA GLU A 67 3.381 -2.408 -10.389 1.00 0.08 C ATOM 1055 C GLU A 67 4.179 -3.678 -10.046 1.00 0.08 C ATOM 1056 O GLU A 67 4.650 -3.822 -8.932 1.00 0.07 O ATOM 1057 CB GLU A 67 1.917 -2.636 -10.807 1.00 0.15 C ATOM 1058 CG GLU A 67 1.080 -1.275 -10.825 1.00 0.67 C ATOM 1059 CD GLU A 67 1.611 -0.265 -11.832 1.00 3.41 C ATOM 1060 OE1 GLU A 67 1.556 -0.620 -12.995 1.00 4.98 O ATOM 1061 OE2 GLU A 67 2.046 0.786 -11.387 1.00 4.09 O ATOM 0 H GLU A 67 3.236 -1.382 -12.208 1.00 0.07 H new ATOM 0 HA GLU A 67 3.437 -1.861 -9.448 1.00 0.08 H new ATOM 0 HB2 GLU A 67 1.889 -3.091 -11.797 1.00 0.15 H new ATOM 0 HB3 GLU A 67 1.449 -3.340 -10.119 1.00 0.15 H new ATOM 0 HG2 GLU A 67 0.039 -1.498 -11.057 1.00 0.67 H new ATOM 0 HG3 GLU A 67 1.097 -0.831 -9.830 1.00 0.67 H new ATOM 1068 N ASP A 68 4.354 -4.599 -10.950 1.00 0.10 N ATOM 1069 CA ASP A 68 5.132 -5.813 -10.592 1.00 0.13 C ATOM 1070 C ASP A 68 6.563 -5.484 -10.207 1.00 0.13 C ATOM 1071 O ASP A 68 7.127 -6.026 -9.273 1.00 0.13 O ATOM 1072 CB ASP A 68 5.006 -6.688 -11.791 1.00 0.17 C ATOM 1073 CG ASP A 68 3.581 -7.210 -11.762 1.00 0.39 C ATOM 1074 OD1 ASP A 68 3.327 -8.064 -10.928 1.00 0.48 O ATOM 1075 OD2 ASP A 68 2.868 -6.670 -12.588 1.00 0.55 O ATOM 0 H ASP A 68 3.998 -4.565 -11.905 1.00 0.10 H new ATOM 0 HA ASP A 68 4.756 -6.315 -9.701 1.00 0.13 H new ATOM 0 HB2 ASP A 68 5.201 -6.130 -12.707 1.00 0.17 H new ATOM 0 HB3 ASP A 68 5.725 -7.507 -11.757 1.00 0.17 H new ATOM 1080 N ALA A 69 7.083 -4.569 -10.961 1.00 0.14 N ATOM 1081 CA ALA A 69 8.484 -4.117 -10.722 1.00 0.13 C ATOM 1082 C ALA A 69 8.491 -3.622 -9.262 1.00 0.16 C ATOM 1083 O ALA A 69 9.445 -3.878 -8.561 1.00 0.20 O ATOM 1084 CB ALA A 69 8.809 -3.008 -11.698 1.00 0.15 C ATOM 0 H ALA A 69 6.604 -4.110 -11.735 1.00 0.14 H new ATOM 0 HA ALA A 69 9.231 -4.897 -10.869 1.00 0.13 H new ATOM 0 HB1 ALA A 69 9.831 -2.667 -11.534 1.00 0.15 H new ATOM 0 HB2 ALA A 69 8.709 -3.380 -12.718 1.00 0.15 H new ATOM 0 HB3 ALA A 69 8.121 -2.176 -11.546 1.00 0.15 H new ATOM 1090 N MET A 70 7.452 -2.939 -8.831 1.00 0.17 N ATOM 1091 CA MET A 70 7.414 -2.458 -7.413 1.00 0.18 C ATOM 1092 C MET A 70 7.372 -3.686 -6.514 1.00 0.22 C ATOM 1093 O MET A 70 8.240 -3.856 -5.687 1.00 0.24 O ATOM 1094 CB MET A 70 6.135 -1.582 -7.153 1.00 0.30 C ATOM 1095 CG MET A 70 6.214 -0.230 -7.885 1.00 0.39 C ATOM 1096 SD MET A 70 5.074 1.074 -7.344 1.00 1.22 S ATOM 1097 CE MET A 70 3.676 0.641 -8.408 1.00 1.78 C ATOM 0 H MET A 70 6.638 -2.697 -9.395 1.00 0.17 H new ATOM 0 HA MET A 70 8.291 -1.845 -7.208 1.00 0.18 H new ATOM 0 HB2 MET A 70 5.249 -2.124 -7.484 1.00 0.30 H new ATOM 0 HB3 MET A 70 6.023 -1.410 -6.082 1.00 0.30 H new ATOM 0 HG2 MET A 70 7.231 0.149 -7.786 1.00 0.39 H new ATOM 0 HG3 MET A 70 6.042 -0.410 -8.946 1.00 0.39 H new ATOM 0 HE1 MET A 70 3.039 1.515 -8.546 1.00 1.78 H new ATOM 0 HE2 MET A 70 4.046 0.305 -9.377 1.00 1.78 H new ATOM 0 HE3 MET A 70 3.099 -0.159 -7.943 1.00 1.78 H new ATOM 1107 N LYS A 71 6.372 -4.492 -6.709 1.00 0.35 N ATOM 1108 CA LYS A 71 6.199 -5.734 -5.912 1.00 0.49 C ATOM 1109 C LYS A 71 7.547 -6.477 -5.729 1.00 0.47 C ATOM 1110 O LYS A 71 7.944 -6.756 -4.614 1.00 0.65 O ATOM 1111 CB LYS A 71 5.143 -6.550 -6.666 1.00 0.79 C ATOM 1112 CG LYS A 71 3.783 -5.773 -6.567 1.00 1.17 C ATOM 1113 CD LYS A 71 2.767 -6.143 -7.693 1.00 1.24 C ATOM 1114 CE LYS A 71 2.836 -7.596 -8.154 1.00 2.68 C ATOM 1115 NZ LYS A 71 2.789 -8.479 -6.941 1.00 4.57 N ATOM 0 H LYS A 71 5.646 -4.337 -7.408 1.00 0.35 H new ATOM 0 HA LYS A 71 5.866 -5.537 -4.893 1.00 0.49 H new ATOM 0 HB2 LYS A 71 5.433 -6.682 -7.708 1.00 0.79 H new ATOM 0 HB3 LYS A 71 5.047 -7.546 -6.233 1.00 0.79 H new ATOM 0 HG2 LYS A 71 3.328 -5.976 -5.598 1.00 1.17 H new ATOM 0 HG3 LYS A 71 3.982 -4.702 -6.607 1.00 1.17 H new ATOM 0 HD2 LYS A 71 1.758 -5.935 -7.337 1.00 1.24 H new ATOM 0 HD3 LYS A 71 2.942 -5.494 -8.551 1.00 1.24 H new ATOM 0 HE2 LYS A 71 2.004 -7.823 -8.821 1.00 2.68 H new ATOM 0 HE3 LYS A 71 3.753 -7.773 -8.717 1.00 2.68 H new ATOM 0 HZ1 LYS A 71 3.706 -8.954 -6.822 1.00 4.57 H new ATOM 0 HZ2 LYS A 71 2.586 -7.903 -6.100 1.00 4.57 H new ATOM 0 HZ3 LYS A 71 2.042 -9.193 -7.060 1.00 4.57 H new ATOM 1129 N ALA A 72 8.232 -6.777 -6.806 1.00 0.38 N ATOM 1130 CA ALA A 72 9.545 -7.493 -6.671 1.00 0.42 C ATOM 1131 C ALA A 72 10.642 -6.525 -6.149 1.00 0.42 C ATOM 1132 O ALA A 72 11.443 -6.906 -5.319 1.00 0.71 O ATOM 1133 CB ALA A 72 9.909 -8.060 -8.058 1.00 0.31 C ATOM 0 H ALA A 72 7.946 -6.562 -7.761 1.00 0.38 H new ATOM 0 HA ALA A 72 9.470 -8.304 -5.947 1.00 0.42 H new ATOM 0 HB1 ALA A 72 10.860 -8.588 -7.997 1.00 0.31 H new ATOM 0 HB2 ALA A 72 9.131 -8.750 -8.385 1.00 0.31 H new ATOM 0 HB3 ALA A 72 9.993 -7.243 -8.774 1.00 0.31 H new ATOM 1139 N TYR A 73 10.682 -5.298 -6.623 1.00 0.14 N ATOM 1140 CA TYR A 73 11.718 -4.330 -6.145 1.00 0.21 C ATOM 1141 C TYR A 73 11.704 -4.332 -4.623 1.00 0.23 C ATOM 1142 O TYR A 73 12.715 -4.545 -3.992 1.00 0.28 O ATOM 1143 CB TYR A 73 11.357 -2.970 -6.697 1.00 0.15 C ATOM 1144 CG TYR A 73 12.273 -1.876 -6.173 1.00 0.17 C ATOM 1145 CD1 TYR A 73 13.536 -1.697 -6.694 1.00 2.50 C ATOM 1146 CD2 TYR A 73 11.826 -1.036 -5.172 1.00 2.26 C ATOM 1147 CE1 TYR A 73 14.321 -0.684 -6.215 1.00 2.48 C ATOM 1148 CE2 TYR A 73 12.626 -0.028 -4.705 1.00 2.25 C ATOM 1149 CZ TYR A 73 13.870 0.144 -5.232 1.00 0.16 C ATOM 1150 OH TYR A 73 14.660 1.170 -4.791 1.00 0.16 O ATOM 0 H TYR A 73 10.038 -4.928 -7.322 1.00 0.14 H new ATOM 0 HA TYR A 73 12.720 -4.598 -6.481 1.00 0.21 H new ATOM 0 HB2 TYR A 73 11.410 -2.996 -7.785 1.00 0.15 H new ATOM 0 HB3 TYR A 73 10.326 -2.735 -6.434 1.00 0.15 H new ATOM 0 HD1 TYR A 73 13.903 -2.350 -7.473 1.00 2.50 H new ATOM 0 HD2 TYR A 73 10.839 -1.175 -4.755 1.00 2.26 H new ATOM 0 HE1 TYR A 73 15.311 -0.539 -6.622 1.00 2.48 H new ATOM 0 HE2 TYR A 73 12.272 0.627 -3.923 1.00 2.25 H new ATOM 0 HH TYR A 73 15.408 1.296 -5.411 1.00 0.16 H new ATOM 1160 N ILE A 74 10.527 -4.100 -4.101 1.00 0.20 N ATOM 1161 CA ILE A 74 10.322 -4.063 -2.623 1.00 0.21 C ATOM 1162 C ILE A 74 10.846 -5.377 -2.042 1.00 0.21 C ATOM 1163 O ILE A 74 11.516 -5.370 -1.033 1.00 0.44 O ATOM 1164 CB ILE A 74 8.822 -3.863 -2.358 1.00 0.22 C ATOM 1165 CG1 ILE A 74 8.400 -2.486 -2.909 1.00 0.18 C ATOM 1166 CG2 ILE A 74 8.607 -3.841 -0.817 1.00 0.31 C ATOM 1167 CD1 ILE A 74 6.863 -2.392 -2.877 1.00 0.36 C ATOM 0 H ILE A 74 9.683 -3.931 -4.649 1.00 0.20 H new ATOM 0 HA ILE A 74 10.861 -3.244 -2.147 1.00 0.21 H new ATOM 0 HB ILE A 74 8.244 -4.658 -2.829 1.00 0.22 H new ATOM 0 HG12 ILE A 74 8.840 -1.688 -2.310 1.00 0.18 H new ATOM 0 HG13 ILE A 74 8.765 -2.358 -3.928 1.00 0.18 H new ATOM 0 HG21 ILE A 74 7.548 -3.700 -0.599 1.00 0.31 H new ATOM 0 HG22 ILE A 74 8.943 -4.786 -0.389 1.00 0.31 H new ATOM 0 HG23 ILE A 74 9.179 -3.022 -0.381 1.00 0.31 H new ATOM 0 HD11 ILE A 74 6.550 -1.422 -3.264 1.00 0.36 H new ATOM 0 HD12 ILE A 74 6.437 -3.184 -3.493 1.00 0.36 H new ATOM 0 HD13 ILE A 74 6.513 -2.503 -1.851 1.00 0.36 H new ATOM 1179 N ASP A 75 10.564 -6.485 -2.666 1.00 0.04 N ATOM 1180 CA ASP A 75 11.060 -7.802 -2.150 1.00 0.06 C ATOM 1181 C ASP A 75 12.605 -7.916 -2.298 1.00 0.12 C ATOM 1182 O ASP A 75 13.267 -8.549 -1.494 1.00 0.16 O ATOM 1183 CB ASP A 75 10.307 -8.889 -2.940 1.00 0.06 C ATOM 1184 CG ASP A 75 9.222 -9.609 -2.124 1.00 0.61 C ATOM 1185 OD1 ASP A 75 9.078 -9.352 -0.938 1.00 1.65 O ATOM 1186 OD2 ASP A 75 8.576 -10.410 -2.770 1.00 2.29 O ATOM 0 H ASP A 75 10.007 -6.541 -3.519 1.00 0.04 H new ATOM 0 HA ASP A 75 10.866 -7.914 -1.083 1.00 0.06 H new ATOM 0 HB2 ASP A 75 9.847 -8.434 -3.817 1.00 0.06 H new ATOM 0 HB3 ASP A 75 11.025 -9.625 -3.302 1.00 0.06 H new ATOM 1191 N LYS A 76 13.173 -7.280 -3.296 1.00 0.13 N ATOM 1192 CA LYS A 76 14.654 -7.377 -3.454 1.00 0.17 C ATOM 1193 C LYS A 76 15.095 -6.527 -2.250 1.00 0.15 C ATOM 1194 O LYS A 76 15.946 -6.952 -1.508 1.00 0.16 O ATOM 1195 CB LYS A 76 15.065 -6.778 -4.816 1.00 0.18 C ATOM 1196 CG LYS A 76 16.530 -7.239 -5.115 1.00 0.31 C ATOM 1197 CD LYS A 76 16.454 -8.718 -5.648 1.00 0.72 C ATOM 1198 CE LYS A 76 17.558 -9.641 -5.108 1.00 1.92 C ATOM 1199 NZ LYS A 76 18.897 -9.261 -5.654 1.00 2.73 N ATOM 0 H LYS A 76 12.687 -6.712 -3.990 1.00 0.13 H new ATOM 0 HA LYS A 76 15.090 -8.376 -3.460 1.00 0.17 H new ATOM 0 HB2 LYS A 76 14.390 -7.116 -5.602 1.00 0.18 H new ATOM 0 HB3 LYS A 76 15.004 -5.690 -4.789 1.00 0.18 H new ATOM 0 HG2 LYS A 76 16.995 -6.587 -5.855 1.00 0.31 H new ATOM 0 HG3 LYS A 76 17.141 -7.186 -4.214 1.00 0.31 H new ATOM 0 HD2 LYS A 76 15.484 -9.138 -5.384 1.00 0.72 H new ATOM 0 HD3 LYS A 76 16.509 -8.703 -6.737 1.00 0.72 H new ATOM 0 HE2 LYS A 76 17.578 -9.589 -4.019 1.00 1.92 H new ATOM 0 HE3 LYS A 76 17.334 -10.674 -5.374 1.00 1.92 H new ATOM 0 HZ1 LYS A 76 19.626 -9.421 -4.929 1.00 2.73 H new ATOM 0 HZ2 LYS A 76 19.108 -9.841 -6.491 1.00 2.73 H new ATOM 0 HZ3 LYS A 76 18.890 -8.256 -5.922 1.00 2.73 H new ATOM 1213 N VAL A 77 14.529 -5.353 -2.080 1.00 0.16 N ATOM 1214 CA VAL A 77 14.903 -4.497 -0.904 1.00 0.25 C ATOM 1215 C VAL A 77 14.841 -5.446 0.320 1.00 0.32 C ATOM 1216 O VAL A 77 15.828 -5.565 1.014 1.00 0.32 O ATOM 1217 CB VAL A 77 13.895 -3.317 -0.781 1.00 0.27 C ATOM 1218 CG1 VAL A 77 14.285 -2.481 0.459 1.00 0.48 C ATOM 1219 CG2 VAL A 77 14.034 -2.424 -2.030 1.00 0.18 C ATOM 0 H VAL A 77 13.827 -4.951 -2.702 1.00 0.16 H new ATOM 0 HA VAL A 77 15.892 -4.049 -0.994 1.00 0.25 H new ATOM 0 HB VAL A 77 12.875 -3.690 -0.692 1.00 0.27 H new ATOM 0 HG11 VAL A 77 13.593 -1.646 0.567 1.00 0.48 H new ATOM 0 HG12 VAL A 77 14.240 -3.108 1.349 1.00 0.48 H new ATOM 0 HG13 VAL A 77 15.298 -2.098 0.336 1.00 0.48 H new ATOM 0 HG21 VAL A 77 13.334 -1.591 -1.961 1.00 0.18 H new ATOM 0 HG22 VAL A 77 15.052 -2.039 -2.091 1.00 0.18 H new ATOM 0 HG23 VAL A 77 13.814 -3.010 -2.922 1.00 0.18 H new ATOM 1229 N GLU A 78 13.744 -6.109 0.600 1.00 0.39 N ATOM 1230 CA GLU A 78 13.777 -7.022 1.791 1.00 0.40 C ATOM 1231 C GLU A 78 14.965 -8.048 1.673 1.00 0.36 C ATOM 1232 O GLU A 78 15.644 -8.328 2.646 1.00 0.45 O ATOM 1233 CB GLU A 78 12.376 -7.707 1.901 1.00 0.64 C ATOM 1234 CG GLU A 78 11.771 -7.316 3.343 1.00 1.58 C ATOM 1235 CD GLU A 78 12.461 -7.970 4.562 1.00 4.17 C ATOM 1236 OE1 GLU A 78 13.672 -8.020 4.562 1.00 5.71 O ATOM 1237 OE2 GLU A 78 11.764 -8.410 5.454 1.00 4.84 O ATOM 0 H GLU A 78 12.865 -6.065 0.085 1.00 0.39 H new ATOM 0 HA GLU A 78 13.965 -6.467 2.710 1.00 0.40 H new ATOM 0 HB2 GLU A 78 11.717 -7.368 1.102 1.00 0.64 H new ATOM 0 HB3 GLU A 78 12.467 -8.789 1.802 1.00 0.64 H new ATOM 0 HG2 GLU A 78 11.824 -6.233 3.457 1.00 1.58 H new ATOM 0 HG3 GLU A 78 10.715 -7.587 3.359 1.00 1.58 H new ATOM 1244 N GLU A 79 15.233 -8.639 0.532 1.00 0.30 N ATOM 1245 CA GLU A 79 16.408 -9.600 0.455 1.00 0.31 C ATOM 1246 C GLU A 79 17.683 -8.840 0.905 1.00 0.19 C ATOM 1247 O GLU A 79 18.451 -9.248 1.753 1.00 0.17 O ATOM 1248 CB GLU A 79 16.725 -10.065 -0.965 1.00 0.41 C ATOM 1249 CG GLU A 79 15.868 -11.222 -1.493 1.00 0.88 C ATOM 1250 CD GLU A 79 16.372 -11.514 -2.906 1.00 3.17 C ATOM 1251 OE1 GLU A 79 17.451 -12.074 -3.004 1.00 3.89 O ATOM 1252 OE2 GLU A 79 15.666 -11.148 -3.822 1.00 4.39 O ATOM 0 H GLU A 79 14.711 -8.510 -0.335 1.00 0.30 H new ATOM 0 HA GLU A 79 16.139 -10.457 1.072 1.00 0.31 H new ATOM 0 HB2 GLU A 79 16.612 -9.216 -1.639 1.00 0.41 H new ATOM 0 HB3 GLU A 79 17.772 -10.366 -1.004 1.00 0.41 H new ATOM 0 HG2 GLU A 79 15.965 -12.101 -0.856 1.00 0.88 H new ATOM 0 HG3 GLU A 79 14.812 -10.951 -1.504 1.00 0.88 H new ATOM 1259 N LEU A 80 17.847 -7.702 0.289 1.00 0.10 N ATOM 1260 CA LEU A 80 18.998 -6.782 0.528 1.00 0.10 C ATOM 1261 C LEU A 80 19.091 -6.500 2.007 1.00 0.15 C ATOM 1262 O LEU A 80 20.158 -6.473 2.579 1.00 0.38 O ATOM 1263 CB LEU A 80 18.731 -5.518 -0.312 1.00 0.11 C ATOM 1264 CG LEU A 80 18.985 -5.835 -1.792 1.00 0.05 C ATOM 1265 CD1 LEU A 80 18.526 -4.704 -2.674 1.00 0.11 C ATOM 1266 CD2 LEU A 80 20.487 -5.947 -1.983 1.00 0.14 C ATOM 0 H LEU A 80 17.191 -7.354 -0.410 1.00 0.10 H new ATOM 0 HA LEU A 80 19.956 -7.206 0.229 1.00 0.10 H new ATOM 0 HB2 LEU A 80 17.704 -5.183 -0.170 1.00 0.11 H new ATOM 0 HB3 LEU A 80 19.380 -4.705 0.015 1.00 0.11 H new ATOM 0 HG LEU A 80 18.449 -6.748 -2.053 1.00 0.05 H new ATOM 0 HD11 LEU A 80 18.718 -4.955 -3.717 1.00 0.11 H new ATOM 0 HD12 LEU A 80 17.458 -4.541 -2.531 1.00 0.11 H new ATOM 0 HD13 LEU A 80 19.070 -3.796 -2.414 1.00 0.11 H new ATOM 0 HD21 LEU A 80 20.705 -6.173 -3.027 1.00 0.14 H new ATOM 0 HD22 LEU A 80 20.960 -5.004 -1.709 1.00 0.14 H new ATOM 0 HD23 LEU A 80 20.876 -6.745 -1.351 1.00 0.14 H new ATOM 1278 N LYS A 81 17.954 -6.275 2.591 1.00 0.22 N ATOM 1279 CA LYS A 81 17.847 -5.999 4.048 1.00 0.34 C ATOM 1280 C LYS A 81 18.429 -7.228 4.763 1.00 0.34 C ATOM 1281 O LYS A 81 19.362 -7.081 5.526 1.00 0.44 O ATOM 1282 CB LYS A 81 16.338 -5.753 4.278 1.00 0.53 C ATOM 1283 CG LYS A 81 15.991 -5.321 5.698 1.00 1.01 C ATOM 1284 CD LYS A 81 14.448 -5.077 5.754 1.00 1.54 C ATOM 1285 CE LYS A 81 14.007 -4.194 6.943 1.00 2.04 C ATOM 1286 NZ LYS A 81 14.576 -4.747 8.202 1.00 2.23 N ATOM 0 H LYS A 81 17.060 -6.271 2.101 1.00 0.22 H new ATOM 0 HA LYS A 81 18.395 -5.137 4.429 1.00 0.34 H new ATOM 0 HB2 LYS A 81 15.995 -4.988 3.582 1.00 0.53 H new ATOM 0 HB3 LYS A 81 15.791 -6.666 4.043 1.00 0.53 H new ATOM 0 HG2 LYS A 81 16.283 -6.089 6.414 1.00 1.01 H new ATOM 0 HG3 LYS A 81 16.532 -4.413 5.965 1.00 1.01 H new ATOM 0 HD2 LYS A 81 14.128 -4.607 4.824 1.00 1.54 H new ATOM 0 HD3 LYS A 81 13.938 -6.038 5.817 1.00 1.54 H new ATOM 0 HE2 LYS A 81 14.347 -3.169 6.796 1.00 2.04 H new ATOM 0 HE3 LYS A 81 12.919 -4.163 7.004 1.00 2.04 H new ATOM 0 HZ1 LYS A 81 14.382 -4.093 8.987 1.00 2.23 H new ATOM 0 HZ2 LYS A 81 14.140 -5.669 8.404 1.00 2.23 H new ATOM 0 HZ3 LYS A 81 15.604 -4.865 8.096 1.00 2.23 H new ATOM 1300 N LYS A 82 17.885 -8.394 4.525 1.00 0.24 N ATOM 1301 CA LYS A 82 18.409 -9.641 5.178 1.00 0.20 C ATOM 1302 C LYS A 82 19.933 -9.763 5.057 1.00 0.20 C ATOM 1303 O LYS A 82 20.650 -10.063 5.986 1.00 0.24 O ATOM 1304 CB LYS A 82 17.716 -10.855 4.523 1.00 0.20 C ATOM 1305 CG LYS A 82 16.213 -10.743 4.774 1.00 0.24 C ATOM 1306 CD LYS A 82 15.476 -11.874 4.023 1.00 0.50 C ATOM 1307 CE LYS A 82 13.987 -11.540 4.028 1.00 0.68 C ATOM 1308 NZ LYS A 82 13.774 -10.379 3.112 1.00 2.51 N ATOM 0 H LYS A 82 17.092 -8.541 3.900 1.00 0.24 H new ATOM 0 HA LYS A 82 18.186 -9.600 6.244 1.00 0.20 H new ATOM 0 HB2 LYS A 82 17.922 -10.878 3.453 1.00 0.20 H new ATOM 0 HB3 LYS A 82 18.103 -11.784 4.942 1.00 0.20 H new ATOM 0 HG2 LYS A 82 16.007 -10.808 5.842 1.00 0.24 H new ATOM 0 HG3 LYS A 82 15.849 -9.772 4.437 1.00 0.24 H new ATOM 0 HD2 LYS A 82 15.846 -11.959 3.001 1.00 0.50 H new ATOM 0 HD3 LYS A 82 15.654 -12.834 4.507 1.00 0.50 H new ATOM 0 HE2 LYS A 82 13.402 -12.399 3.698 1.00 0.68 H new ATOM 0 HE3 LYS A 82 13.654 -11.296 5.037 1.00 0.68 H new ATOM 0 HZ1 LYS A 82 12.771 -10.329 2.842 1.00 2.51 H new ATOM 0 HZ2 LYS A 82 14.046 -9.500 3.597 1.00 2.51 H new ATOM 0 HZ3 LYS A 82 14.357 -10.498 2.259 1.00 2.51 H new ATOM 1322 N LYS A 83 20.339 -9.523 3.854 1.00 0.22 N ATOM 1323 CA LYS A 83 21.777 -9.565 3.425 1.00 0.32 C ATOM 1324 C LYS A 83 22.741 -8.529 4.026 1.00 0.43 C ATOM 1325 O LYS A 83 23.784 -8.871 4.541 1.00 0.56 O ATOM 1326 CB LYS A 83 21.817 -9.410 1.898 1.00 0.24 C ATOM 1327 CG LYS A 83 21.149 -10.588 1.192 1.00 0.24 C ATOM 1328 CD LYS A 83 20.725 -10.116 -0.236 1.00 0.19 C ATOM 1329 CE LYS A 83 20.425 -11.316 -1.113 1.00 0.35 C ATOM 1330 NZ LYS A 83 21.627 -11.530 -1.960 1.00 0.50 N ATOM 0 H LYS A 83 19.700 -9.283 3.096 1.00 0.22 H new ATOM 0 HA LYS A 83 22.140 -10.521 3.803 1.00 0.32 H new ATOM 0 HB2 LYS A 83 21.317 -8.484 1.613 1.00 0.24 H new ATOM 0 HB3 LYS A 83 22.852 -9.328 1.568 1.00 0.24 H new ATOM 0 HG2 LYS A 83 21.835 -11.432 1.126 1.00 0.24 H new ATOM 0 HG3 LYS A 83 20.280 -10.927 1.755 1.00 0.24 H new ATOM 0 HD2 LYS A 83 19.846 -9.475 -0.170 1.00 0.19 H new ATOM 0 HD3 LYS A 83 21.521 -9.520 -0.682 1.00 0.19 H new ATOM 0 HE2 LYS A 83 20.216 -12.197 -0.507 1.00 0.35 H new ATOM 0 HE3 LYS A 83 19.544 -11.136 -1.729 1.00 0.35 H new ATOM 0 HZ1 LYS A 83 21.364 -11.449 -2.963 1.00 0.50 H new ATOM 0 HZ2 LYS A 83 22.345 -10.813 -1.732 1.00 0.50 H new ATOM 0 HZ3 LYS A 83 22.015 -12.478 -1.779 1.00 0.50 H new ATOM 1344 N TYR A 84 22.355 -7.293 3.938 1.00 0.42 N ATOM 1345 CA TYR A 84 23.174 -6.168 4.446 1.00 0.62 C ATOM 1346 C TYR A 84 22.843 -5.582 5.819 1.00 1.04 C ATOM 1347 O TYR A 84 23.664 -4.822 6.308 1.00 2.53 O ATOM 1348 CB TYR A 84 23.117 -5.123 3.300 1.00 0.48 C ATOM 1349 CG TYR A 84 23.660 -5.819 2.021 1.00 0.27 C ATOM 1350 CD1 TYR A 84 24.997 -6.148 1.895 1.00 2.20 C ATOM 1351 CD2 TYR A 84 22.812 -6.153 0.987 1.00 2.55 C ATOM 1352 CE1 TYR A 84 25.463 -6.795 0.762 1.00 2.25 C ATOM 1353 CE2 TYR A 84 23.286 -6.799 -0.137 1.00 2.46 C ATOM 1354 CZ TYR A 84 24.602 -7.124 -0.262 1.00 0.11 C ATOM 1355 OH TYR A 84 25.013 -7.766 -1.414 1.00 0.19 O ATOM 0 H TYR A 84 21.471 -7.007 3.518 1.00 0.42 H new ATOM 0 HA TYR A 84 24.174 -6.537 4.674 1.00 0.62 H new ATOM 0 HB2 TYR A 84 22.095 -4.776 3.146 1.00 0.48 H new ATOM 0 HB3 TYR A 84 23.717 -4.247 3.547 1.00 0.48 H new ATOM 0 HD1 TYR A 84 25.686 -5.898 2.688 1.00 2.20 H new ATOM 0 HD2 TYR A 84 21.763 -5.906 1.057 1.00 2.55 H new ATOM 0 HE1 TYR A 84 26.511 -7.044 0.681 1.00 2.25 H new ATOM 0 HE2 TYR A 84 22.600 -7.051 -0.932 1.00 2.46 H new ATOM 0 HH TYR A 84 24.247 -8.215 -1.829 1.00 0.19 H new ATOM 1365 N GLY A 85 21.725 -5.857 6.449 1.00 0.47 N ATOM 1366 CA GLY A 85 21.525 -5.236 7.810 1.00 0.63 C ATOM 1367 C GLY A 85 20.725 -3.975 8.114 1.00 0.62 C ATOM 1368 O GLY A 85 21.268 -3.126 8.801 1.00 1.08 O ATOM 0 H GLY A 85 20.972 -6.454 6.107 1.00 0.47 H new ATOM 0 HA2 GLY A 85 21.085 -6.019 8.428 1.00 0.63 H new ATOM 0 HA3 GLY A 85 22.527 -5.049 8.197 1.00 0.63 H new ATOM 1372 N ILE A 86 19.525 -3.865 7.598 1.00 0.69 N ATOM 1373 CA ILE A 86 18.655 -2.678 7.868 1.00 1.38 C ATOM 1374 C ILE A 86 17.245 -3.253 8.289 1.00 2.21 C ATOM 1375 O ILE A 86 16.355 -2.502 8.643 1.00 1.97 O ATOM 1376 CB ILE A 86 18.638 -1.782 6.541 1.00 0.84 C ATOM 1377 CG1 ILE A 86 18.000 -0.431 6.901 1.00 1.05 C ATOM 1378 CG2 ILE A 86 17.782 -2.391 5.423 1.00 0.58 C ATOM 1379 CD1 ILE A 86 18.001 0.597 5.712 1.00 0.71 C ATOM 1380 OXT ILE A 86 17.071 -4.463 8.257 1.00 4.23 O ATOM 0 H ILE A 86 19.103 -4.565 6.987 1.00 0.69 H new ATOM 0 HA ILE A 86 19.003 -2.030 8.673 1.00 1.38 H new ATOM 0 HB ILE A 86 19.665 -1.699 6.184 1.00 0.84 H new ATOM 0 HG12 ILE A 86 16.973 -0.598 7.226 1.00 1.05 H new ATOM 0 HG13 ILE A 86 18.536 0.002 7.746 1.00 1.05 H new ATOM 0 HG21 ILE A 86 17.808 -1.740 4.549 1.00 0.58 H new ATOM 0 HG22 ILE A 86 18.176 -3.372 5.157 1.00 0.58 H new ATOM 0 HG23 ILE A 86 16.753 -2.494 5.768 1.00 0.58 H new ATOM 0 HD11 ILE A 86 17.536 1.528 6.036 1.00 0.71 H new ATOM 0 HD12 ILE A 86 19.027 0.793 5.401 1.00 0.71 H new ATOM 0 HD13 ILE A 86 17.440 0.184 4.873 1.00 0.71 H new TER 1392 ILE A 86 HETATM 1393 N1A COA A 87 16.588 2.194 -6.667 1.00 0.24 N HETATM 1394 C2A COA A 87 17.301 1.929 -7.763 1.00 0.28 C HETATM 1395 N3A COA A 87 18.011 2.769 -8.508 1.00 0.43 N HETATM 1396 C4A COA A 87 17.953 4.034 -8.023 1.00 0.49 C HETATM 1397 C5A COA A 87 17.272 4.467 -6.917 1.00 0.37 C HETATM 1398 C6A COA A 87 16.557 3.463 -6.221 1.00 0.24 C HETATM 1399 N6A COA A 87 15.853 3.687 -5.126 1.00 0.23 N HETATM 1400 N7A COA A 87 17.461 5.832 -6.733 1.00 0.47 N HETATM 1401 C8A COA A 87 18.246 6.159 -7.726 1.00 0.65 C HETATM 1402 N9A COA A 87 18.579 5.121 -8.542 1.00 0.67 N HETATM 1403 C1B COA A 87 19.432 5.102 -9.740 1.00 0.89 C HETATM 1404 C2B COA A 87 19.596 6.467 -10.400 1.00 0.56 C HETATM 1405 O2B COA A 87 18.636 6.595 -11.468 1.00 0.73 O HETATM 1406 C3B COA A 87 21.013 6.384 -10.927 1.00 0.68 C HETATM 1407 O3B COA A 87 21.075 5.765 -12.211 1.00 1.13 O HETATM 1408 P3B COA A 87 22.424 5.707 -13.054 1.00 0.73 P HETATM 1409 O7A COA A 87 23.155 4.523 -12.542 1.00 3.02 O HETATM 1410 O8A COA A 87 23.108 6.995 -12.906 1.00 2.38 O HETATM 1411 O9A COA A 87 21.885 5.432 -14.400 1.00 2.09 O HETATM 1412 C4B COA A 87 21.716 5.471 -9.926 1.00 1.15 C HETATM 1413 O4B COA A 87 20.712 4.662 -9.304 1.00 1.22 O HETATM 1414 C5B COA A 87 22.452 6.301 -8.882 1.00 1.30 C HETATM 1415 O5B COA A 87 21.502 7.062 -8.139 1.00 1.14 O HETATM 1416 P1A COA A 87 21.325 8.643 -8.237 1.00 1.58 P HETATM 1417 O1A COA A 87 21.684 9.094 -9.599 1.00 3.67 O HETATM 1418 O2A COA A 87 19.955 8.890 -7.731 1.00 2.55 O HETATM 1419 O3A COA A 87 22.381 9.214 -7.242 1.00 1.60 O HETATM 1420 P2A COA A 87 21.973 9.313 -5.725 1.00 1.48 P HETATM 1421 O4A COA A 87 23.109 9.904 -4.998 1.00 1.52 O HETATM 1422 O5A COA A 87 20.650 9.955 -5.568 1.00 1.58 O HETATM 1423 O6A COA A 87 21.767 7.831 -5.067 1.00 2.46 O HETATM 1424 CBP COA A 87 23.993 6.505 -4.957 1.00 1.93 C HETATM 1425 CCP COA A 87 22.492 6.579 -5.279 1.00 2.78 C HETATM 1426 CDP COA A 87 24.849 7.502 -5.712 1.00 1.79 C HETATM 1427 CEP COA A 87 24.462 5.149 -5.495 1.00 3.22 C HETATM 1428 CAP COA A 87 24.160 6.593 -3.410 1.00 1.09 C HETATM 1429 OAP COA A 87 23.455 7.772 -3.023 1.00 1.65 O HETATM 1430 C9P COA A 87 25.613 6.505 -2.928 1.00 2.45 C HETATM 1431 O9P COA A 87 26.586 6.914 -3.532 1.00 4.25 O HETATM 1432 N8P COA A 87 25.848 5.975 -1.779 1.00 2.24 N HETATM 1433 C7P COA A 87 24.896 5.392 -0.761 1.00 1.97 C HETATM 1434 C6P COA A 87 25.836 4.667 0.284 1.00 1.33 C HETATM 1435 C5P COA A 87 26.922 3.863 -0.440 1.00 1.48 C HETATM 1436 O5P COA A 87 28.004 3.625 0.059 1.00 2.00 O HETATM 1437 N4P COA A 87 26.547 3.450 -1.614 1.00 1.14 N HETATM 1438 C3P COA A 87 27.410 2.662 -2.525 1.00 1.33 C HETATM 1439 C2P COA A 87 27.124 3.216 -3.913 1.00 1.55 C HETATM 1440 S1P COA A 87 26.060 2.241 -5.015 1.00 1.42 S HETATM 0 HO2A COA A 87 19.009 6.214 -12.290 1.00 0.73 H new HETATM 0 H62A COA A 87 15.794 4.630 -4.742 1.00 0.23 H new HETATM 0 H61A COA A 87 15.369 2.917 -4.665 1.00 0.23 H new HETATM 0 H52A COA A 87 23.018 5.651 -8.215 1.00 1.30 H new HETATM 0 H51A COA A 87 23.170 6.964 -9.366 1.00 1.30 H new HETATM 0 H143 COA A 87 23.909 4.350 -5.000 1.00 3.22 H new HETATM 0 H142 COA A 87 24.283 5.102 -6.569 1.00 3.22 H new HETATM 0 H141 COA A 87 25.527 5.029 -5.299 1.00 3.22 H new HETATM 0 H133 COA A 87 24.747 7.331 -6.784 1.00 1.79 H new HETATM 0 H132 COA A 87 24.524 8.515 -5.473 1.00 1.79 H new HETATM 0 H131 COA A 87 25.893 7.378 -5.423 1.00 1.79 H new HETATM 0 H122 COA A 87 21.994 5.810 -4.688 1.00 2.78 H new HETATM 0 H121 COA A 87 22.370 6.305 -6.327 1.00 2.78 H new HETATM 0 HO1 COA A 87 23.278 8.322 -3.815 1.00 1.65 H new HETATM 0 HN8 COA A 87 26.832 5.944 -1.514 1.00 2.24 H new HETATM 0 HN4 COA A 87 25.604 3.682 -1.926 1.00 1.14 H new HETATM 0 H8A COA A 87 18.604 7.176 -7.887 1.00 0.65 H new HETATM 0 H72 COA A 87 24.298 6.169 -0.285 1.00 1.97 H new HETATM 0 H71 COA A 87 24.200 4.692 -1.223 1.00 1.97 H new HETATM 0 H62 COA A 87 26.298 5.405 0.940 1.00 1.33 H new HETATM 0 H61 COA A 87 25.245 4.004 0.916 1.00 1.33 H new HETATM 0 H4B COA A 87 22.452 4.844 -10.429 1.00 1.15 H new HETATM 0 H3B COA A 87 21.452 7.376 -11.033 1.00 0.68 H new HETATM 0 H32 COA A 87 28.463 2.772 -2.265 1.00 1.33 H new HETATM 0 H31 COA A 87 27.177 1.599 -2.468 1.00 1.33 H new HETATM 0 H2B COA A 87 19.434 7.324 -9.747 1.00 0.56 H new HETATM 0 H2A COA A 87 17.301 0.889 -8.089 1.00 0.28 H new HETATM 0 H22 COA A 87 26.669 4.199 -3.793 1.00 1.55 H new HETATM 0 H21 COA A 87 28.079 3.366 -4.417 1.00 1.55 H new HETATM 0 H1B COA A 87 18.969 4.454 -10.485 1.00 0.89 H new HETATM 0 H10 COA A 87 23.736 5.721 -2.912 1.00 1.09 H new HETATM 1472 C1 PLM A 88 25.061 1.266 -3.855 1.00 1.86 C HETATM 1473 O2 PLM A 88 25.233 0.085 -3.622 1.00 3.95 O HETATM 1474 C2 PLM A 88 23.949 2.077 -3.165 1.00 1.10 C HETATM 1475 C3 PLM A 88 22.656 1.284 -2.789 1.00 0.96 C HETATM 1476 C4 PLM A 88 21.922 0.495 -3.986 1.00 0.51 C HETATM 1477 C5 PLM A 88 22.212 0.999 -5.390 1.00 0.44 C HETATM 1478 C6 PLM A 88 21.465 2.313 -5.708 1.00 2.19 C HETATM 1479 C7 PLM A 88 21.282 2.401 -7.239 1.00 1.87 C HETATM 1480 C8 PLM A 88 22.597 2.734 -8.038 1.00 2.30 C HETATM 1481 C9 PLM A 88 23.787 1.771 -7.816 1.00 1.62 C HETATM 1482 CA PLM A 88 24.907 2.053 -8.859 1.00 1.67 C HETATM 1483 CB PLM A 88 25.007 0.923 -9.926 1.00 0.57 C HETATM 1484 CC PLM A 88 23.682 0.761 -10.691 1.00 1.70 C HETATM 1485 CD PLM A 88 23.851 -0.249 -11.852 1.00 0.84 C HETATM 1486 CE PLM A 88 24.230 -1.682 -11.442 1.00 0.66 C HETATM 1487 CF PLM A 88 25.765 -1.904 -11.317 1.00 0.73 C HETATM 1488 CG PLM A 88 26.008 -3.324 -11.652 1.00 1.05 C HETATM 0 HG3 PLM A 88 25.463 -3.961 -10.955 1.00 1.05 H new HETATM 0 HG2 PLM A 88 25.666 -3.522 -12.668 1.00 1.05 H new HETATM 0 HG1 PLM A 88 27.075 -3.537 -11.580 1.00 1.05 H new HETATM 0 HF2 PLM A 88 26.309 -1.246 -11.994 1.00 0.73 H new HETATM 0 HF1 PLM A 88 26.110 -1.678 -10.308 1.00 0.73 H new HETATM 0 HE2 PLM A 88 23.758 -1.916 -10.488 1.00 0.66 H new HETATM 0 HE1 PLM A 88 23.828 -2.380 -12.176 1.00 0.66 H new HETATM 0 HD2 PLM A 88 22.918 -0.287 -12.414 1.00 0.84 H new HETATM 0 HD1 PLM A 88 24.616 0.130 -12.529 1.00 0.84 H new HETATM 0 HC2 PLM A 88 22.902 0.417 -10.012 1.00 1.70 H new HETATM 0 HC1 PLM A 88 23.361 1.726 -11.083 1.00 1.70 H new HETATM 0 HB2 PLM A 88 25.809 1.152 -10.628 1.00 0.57 H new HETATM 0 HB1 PLM A 88 25.267 -0.018 -9.440 1.00 0.57 H new HETATM 0 HA2 PLM A 88 24.710 3.004 -9.355 1.00 1.67 H new HETATM 0 HA1 PLM A 88 25.864 2.153 -8.346 1.00 1.67 H new HETATM 0 H92 PLM A 88 24.180 1.894 -6.807 1.00 1.62 H new HETATM 0 H91 PLM A 88 23.450 0.738 -7.904 1.00 1.62 H new HETATM 0 H82 PLM A 88 22.359 2.747 -9.102 1.00 2.30 H new HETATM 0 H81 PLM A 88 22.916 3.742 -7.771 1.00 2.30 H new HETATM 0 H72 PLM A 88 20.884 1.452 -7.599 1.00 1.87 H new HETATM 0 H71 PLM A 88 20.536 3.164 -7.459 1.00 1.87 H new HETATM 0 H62 PLM A 88 20.497 2.332 -5.207 1.00 2.19 H new HETATM 0 H61 PLM A 88 22.030 3.170 -5.342 1.00 2.19 H new HETATM 0 H52 PLM A 88 23.285 1.157 -5.502 1.00 0.44 H new HETATM 0 H51 PLM A 88 21.925 0.236 -6.114 1.00 0.44 H new HETATM 0 H42 PLM A 88 22.208 -0.555 -3.932 1.00 0.51 H new HETATM 0 H41 PLM A 88 20.846 0.541 -3.819 1.00 0.51 H new HETATM 0 H32 PLM A 88 22.912 0.563 -2.012 1.00 0.96 H new HETATM 0 H31 PLM A 88 21.942 1.983 -2.353 1.00 0.96 H new HETATM 0 H22 PLM A 88 24.359 2.517 -2.256 1.00 1.10 H new HETATM 0 H21 PLM A 88 23.668 2.902 -3.820 1.00 1.10 H new