USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=34 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 -73:sc= 1.49 USER MOD Set 1.2: A 30 HIS : no HE2:sc= -0.899 K(o=0.59,f=-9.7!) USER MOD Set 2.1: A 28 TYR OH : rot -140:sc= 0.26 USER MOD Set 2.2: A 32 LYS NZ :NH3+ -131:sc= -0.902 (180deg=-4.01!) USER MOD Set 2.3: A 87 COA O2B : rot -149:sc= 1.55 USER MOD Set 3.1: A 2 GLN :FLIP amide:sc= -2.99! C(o=-4.7!,f=-3!) USER MOD Set 3.2: A 70 MET CE :methyl -145:sc= -0.0409 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 151:sc= 1.01 (180deg=0.961) USER MOD Single : A 1 SER OG : rot 49:sc= -0.0678! USER MOD Single : A 7 LYS NZ :NH3+ -124:sc= 0.746 (180deg=-0.288) USER MOD Single : A 13 LYS NZ :NH3+ -111:sc= -2.63! (180deg=-3.3!) USER MOD Single : A 14 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.8!) USER MOD Single : A 16 LYS NZ :NH3+ -121:sc= -3.14! (180deg=-6.11!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 1.01 (180deg=0.878) USER MOD Single : A 24 MET CE :methyl -155:sc= -17.7! (180deg=-21!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -2.43 K(o=-2.4,f=-5.4!) USER MOD Single : A 35 THR OG1 : rot -96:sc= 1.04 USER MOD Single : A 40 ASN : amide:sc= -0.22 K(o=-0.22,f=-3.6!) USER MOD Single : A 41 THR OG1 : rot 103:sc= 0.58 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -140:sc= -0.0833 (180deg=-2.1!) USER MOD Single : A 52 LYS NZ :NH3+ -134:sc= 1.04 (180deg=0.242) USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= -1.93! (180deg=-3.19!) USER MOD Single : A 59 ASN : amide:sc= -1.21 K(o=-1.2,f=-7.6!) USER MOD Single : A 62 LYS NZ :NH3+ -118:sc= -0.285 (180deg=-6.33!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 111:sc= 0.812 USER MOD Single : A 66 LYS NZ :NH3+ -111:sc= 0.0875 (180deg=-5.11!) USER MOD Single : A 71 LYS NZ :NH3+ -128:sc= 1.22 (180deg=0.129) USER MOD Single : A 73 TYR OH : rot 33:sc= -0.899 USER MOD Single : A 76 LYS NZ :NH3+ -122:sc= 0.379 (180deg=-2.41!) USER MOD Single : A 81 LYS NZ :NH3+ -110:sc= 1.78 (180deg=0.0337) USER MOD Single : A 82 LYS NZ :NH3+ -137:sc= 0.959! (180deg=-0.234) USER MOD Single : A 83 LYS NZ :NH3+ -115:sc= -0.146! (180deg=-4.9!) USER MOD Single : A 84 TYR OH : rot 175:sc= 0.658 USER MOD Single : A 87 COA OAP : rot 49:sc= 0.424 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.861 -0.186 1.795 1.00 7.66 N ATOM 2 CA SER A 1 0.239 0.540 0.628 1.00 6.41 C ATOM 3 C SER A 1 1.113 0.286 -0.576 1.00 4.54 C ATOM 4 O SER A 1 1.944 -0.591 -0.465 1.00 5.28 O ATOM 5 CB SER A 1 0.159 2.076 0.904 1.00 7.06 C ATOM 6 OG SER A 1 -0.329 2.650 -0.311 1.00 6.49 O ATOM 0 H1 SER A 1 0.630 0.313 2.678 1.00 7.66 H new ATOM 0 H2 SER A 1 0.489 -1.156 1.838 1.00 7.66 H new ATOM 0 H3 SER A 1 1.894 -0.216 1.675 1.00 7.66 H new ATOM 0 HA SER A 1 -0.777 0.180 0.463 1.00 6.41 H new ATOM 0 HB2 SER A 1 -0.509 2.292 1.738 1.00 7.06 H new ATOM 0 HB3 SER A 1 1.137 2.481 1.166 1.00 7.06 H new ATOM 0 HG SER A 1 -1.118 2.154 -0.613 1.00 6.49 H new ATOM 14 N GLN A 2 0.950 0.972 -1.689 1.00 2.90 N ATOM 15 CA GLN A 2 1.898 0.634 -2.798 1.00 1.76 C ATOM 16 C GLN A 2 3.175 1.056 -2.201 1.00 1.63 C ATOM 17 O GLN A 2 4.073 0.239 -2.262 1.00 1.95 O ATOM 18 CB GLN A 2 2.046 1.500 -4.118 1.00 1.25 C ATOM 19 CG GLN A 2 3.685 1.432 -4.615 1.00 2.07 C ATOM 20 CD GLN A 2 3.926 0.019 -5.160 1.00 1.52 C ATOM 21 OE1 GLN A 2 4.576 -0.859 -4.477 1.00 2.00 O flip ATOM 22 NE2 GLN A 2 3.525 -0.352 -6.238 1.00 1.06 N flip ATOM 0 H GLN A 2 0.256 1.697 -1.870 1.00 2.90 H new ATOM 0 HA GLN A 2 1.587 -0.368 -3.095 1.00 1.76 H new ATOM 0 HB2 GLN A 2 1.394 1.115 -4.902 1.00 1.25 H new ATOM 0 HB3 GLN A 2 1.746 2.532 -3.933 1.00 1.25 H new ATOM 0 HG2 GLN A 2 3.888 2.181 -5.380 1.00 2.07 H new ATOM 0 HG3 GLN A 2 4.351 1.642 -3.778 1.00 2.07 H new ATOM 0 HE21 GLN A 2 3.002 0.288 -6.835 1.00 1.06 H new ATOM 0 HE22 GLN A 2 3.710 -1.305 -6.550 1.00 1.06 H new ATOM 31 N ALA A 3 3.114 2.292 -1.704 1.00 1.16 N ATOM 32 CA ALA A 3 4.185 3.119 -1.043 1.00 0.80 C ATOM 33 C ALA A 3 5.444 2.369 -0.729 1.00 0.43 C ATOM 34 O ALA A 3 6.521 2.917 -0.666 1.00 0.85 O ATOM 35 CB ALA A 3 3.597 3.712 0.241 1.00 1.41 C ATOM 0 H ALA A 3 2.237 2.811 -1.747 1.00 1.16 H new ATOM 0 HA ALA A 3 4.482 3.891 -1.753 1.00 0.80 H new ATOM 0 HB1 ALA A 3 4.353 4.317 0.742 1.00 1.41 H new ATOM 0 HB2 ALA A 3 2.738 4.336 -0.006 1.00 1.41 H new ATOM 0 HB3 ALA A 3 3.281 2.906 0.903 1.00 1.41 H new ATOM 41 N GLU A 4 5.248 1.110 -0.560 1.00 0.77 N ATOM 42 CA GLU A 4 6.339 0.221 -0.260 1.00 0.69 C ATOM 43 C GLU A 4 7.417 0.168 -1.295 1.00 0.37 C ATOM 44 O GLU A 4 8.523 -0.261 -1.033 1.00 0.55 O ATOM 45 CB GLU A 4 5.653 -1.104 0.064 1.00 1.14 C ATOM 46 CG GLU A 4 5.081 -1.026 1.545 1.00 1.50 C ATOM 47 CD GLU A 4 4.463 0.339 1.929 1.00 1.84 C ATOM 48 OE1 GLU A 4 3.283 0.499 1.650 1.00 1.54 O ATOM 49 OE2 GLU A 4 5.204 1.145 2.469 1.00 2.94 O ATOM 0 H GLU A 4 4.336 0.658 -0.623 1.00 0.77 H new ATOM 0 HA GLU A 4 6.935 0.571 0.583 1.00 0.69 H new ATOM 0 HB2 GLU A 4 4.847 -1.296 -0.644 1.00 1.14 H new ATOM 0 HB3 GLU A 4 6.360 -1.929 -0.026 1.00 1.14 H new ATOM 0 HG2 GLU A 4 4.323 -1.800 1.668 1.00 1.50 H new ATOM 0 HG3 GLU A 4 5.886 -1.254 2.243 1.00 1.50 H new ATOM 56 N PHE A 5 7.066 0.625 -2.450 1.00 0.11 N ATOM 57 CA PHE A 5 8.059 0.648 -3.535 1.00 0.10 C ATOM 58 C PHE A 5 8.832 1.961 -3.311 1.00 0.18 C ATOM 59 O PHE A 5 10.030 1.923 -3.164 1.00 0.22 O ATOM 60 CB PHE A 5 7.313 0.644 -4.804 1.00 0.14 C ATOM 61 CG PHE A 5 8.382 0.907 -5.874 1.00 0.08 C ATOM 62 CD1 PHE A 5 8.747 2.208 -6.114 1.00 1.21 C ATOM 63 CD2 PHE A 5 9.025 -0.106 -6.558 1.00 1.17 C ATOM 64 CE1 PHE A 5 9.730 2.496 -7.009 1.00 1.20 C ATOM 65 CE2 PHE A 5 10.022 0.159 -7.467 1.00 1.22 C ATOM 66 CZ PHE A 5 10.377 1.481 -7.693 1.00 0.16 C ATOM 0 H PHE A 5 6.140 0.981 -2.688 1.00 0.11 H new ATOM 0 HA PHE A 5 8.747 -0.197 -3.556 1.00 0.10 H new ATOM 0 HB2 PHE A 5 6.812 -0.310 -4.968 1.00 0.14 H new ATOM 0 HB3 PHE A 5 6.542 1.414 -4.814 1.00 0.14 H new ATOM 0 HD1 PHE A 5 8.250 3.010 -5.588 1.00 1.21 H new ATOM 0 HD2 PHE A 5 8.738 -1.131 -6.374 1.00 1.17 H new ATOM 0 HE1 PHE A 5 10.008 3.524 -7.187 1.00 1.20 H new ATOM 0 HE2 PHE A 5 10.517 -0.644 -7.993 1.00 1.22 H new ATOM 0 HZ PHE A 5 11.157 1.718 -8.401 1.00 0.16 H new ATOM 76 N ASP A 6 8.166 3.087 -3.303 1.00 0.23 N ATOM 77 CA ASP A 6 8.849 4.396 -3.078 1.00 0.28 C ATOM 78 C ASP A 6 9.759 4.181 -1.867 1.00 0.22 C ATOM 79 O ASP A 6 10.944 4.444 -1.849 1.00 0.21 O ATOM 80 CB ASP A 6 7.686 5.347 -2.883 1.00 0.31 C ATOM 81 CG ASP A 6 6.777 5.216 -4.085 1.00 0.42 C ATOM 82 OD1 ASP A 6 7.140 5.796 -5.090 1.00 0.79 O ATOM 83 OD2 ASP A 6 5.783 4.520 -3.926 1.00 1.41 O ATOM 0 H ASP A 6 7.158 3.155 -3.446 1.00 0.23 H new ATOM 0 HA ASP A 6 9.492 4.793 -3.863 1.00 0.28 H new ATOM 0 HB2 ASP A 6 7.146 5.107 -1.967 1.00 0.31 H new ATOM 0 HB3 ASP A 6 8.043 6.372 -2.784 1.00 0.31 H new ATOM 88 N LYS A 7 9.091 3.669 -0.882 1.00 0.20 N ATOM 89 CA LYS A 7 9.694 3.324 0.424 1.00 0.23 C ATOM 90 C LYS A 7 10.954 2.566 0.055 1.00 0.23 C ATOM 91 O LYS A 7 12.042 3.032 0.293 1.00 0.37 O ATOM 92 CB LYS A 7 8.733 2.423 1.179 1.00 0.33 C ATOM 93 CG LYS A 7 9.284 2.020 2.567 1.00 0.38 C ATOM 94 CD LYS A 7 8.400 2.687 3.631 1.00 0.71 C ATOM 95 CE LYS A 7 8.462 4.215 3.533 1.00 2.66 C ATOM 96 NZ LYS A 7 9.860 4.694 3.780 1.00 2.97 N ATOM 0 H LYS A 7 8.093 3.465 -0.935 1.00 0.20 H new ATOM 0 HA LYS A 7 9.904 4.187 1.055 1.00 0.23 H new ATOM 0 HB2 LYS A 7 7.778 2.934 1.303 1.00 0.33 H new ATOM 0 HB3 LYS A 7 8.540 1.526 0.591 1.00 0.33 H new ATOM 0 HG2 LYS A 7 9.271 0.936 2.684 1.00 0.38 H new ATOM 0 HG3 LYS A 7 10.320 2.340 2.675 1.00 0.38 H new ATOM 0 HD2 LYS A 7 7.369 2.355 3.510 1.00 0.71 H new ATOM 0 HD3 LYS A 7 8.722 2.371 4.623 1.00 0.71 H new ATOM 0 HE2 LYS A 7 8.129 4.537 2.546 1.00 2.66 H new ATOM 0 HE3 LYS A 7 7.783 4.661 4.260 1.00 2.66 H new ATOM 0 HZ1 LYS A 7 9.859 5.380 4.561 1.00 2.97 H new ATOM 0 HZ2 LYS A 7 10.465 3.886 4.030 1.00 2.97 H new ATOM 0 HZ3 LYS A 7 10.228 5.149 2.920 1.00 2.97 H new ATOM 110 N ALA A 8 10.791 1.417 -0.540 1.00 0.15 N ATOM 111 CA ALA A 8 11.988 0.633 -0.924 1.00 0.17 C ATOM 112 C ALA A 8 13.051 1.553 -1.596 1.00 0.24 C ATOM 113 O ALA A 8 14.194 1.537 -1.198 1.00 0.26 O ATOM 114 CB ALA A 8 11.452 -0.471 -1.812 1.00 0.15 C ATOM 0 H ALA A 8 9.892 0.995 -0.773 1.00 0.15 H new ATOM 0 HA ALA A 8 12.522 0.198 -0.079 1.00 0.17 H new ATOM 0 HB1 ALA A 8 12.276 -1.103 -2.144 1.00 0.15 H new ATOM 0 HB2 ALA A 8 10.736 -1.072 -1.252 1.00 0.15 H new ATOM 0 HB3 ALA A 8 10.959 -0.033 -2.680 1.00 0.15 H new ATOM 120 N ALA A 9 12.677 2.338 -2.572 1.00 0.27 N ATOM 121 CA ALA A 9 13.632 3.256 -3.272 1.00 0.34 C ATOM 122 C ALA A 9 14.369 4.253 -2.363 1.00 0.42 C ATOM 123 O ALA A 9 15.403 4.772 -2.739 1.00 0.51 O ATOM 124 CB ALA A 9 12.879 4.042 -4.278 1.00 0.32 C ATOM 0 H ALA A 9 11.721 2.384 -2.925 1.00 0.27 H new ATOM 0 HA ALA A 9 14.394 2.609 -3.706 1.00 0.34 H new ATOM 0 HB1 ALA A 9 13.560 4.716 -4.797 1.00 0.32 H new ATOM 0 HB2 ALA A 9 12.419 3.365 -4.998 1.00 0.32 H new ATOM 0 HB3 ALA A 9 12.103 4.623 -3.779 1.00 0.32 H new ATOM 130 N GLU A 10 13.811 4.468 -1.208 1.00 0.40 N ATOM 131 CA GLU A 10 14.374 5.410 -0.195 1.00 0.52 C ATOM 132 C GLU A 10 15.241 4.512 0.608 1.00 0.58 C ATOM 133 O GLU A 10 16.416 4.763 0.756 1.00 0.71 O ATOM 134 CB GLU A 10 13.195 5.990 0.648 1.00 0.57 C ATOM 135 CG GLU A 10 12.172 6.913 -0.102 1.00 1.30 C ATOM 136 CD GLU A 10 11.008 7.366 0.847 1.00 1.91 C ATOM 137 OE1 GLU A 10 10.454 6.483 1.514 1.00 2.50 O ATOM 138 OE2 GLU A 10 10.737 8.565 0.851 1.00 2.24 O ATOM 0 H GLU A 10 12.950 4.010 -0.909 1.00 0.40 H new ATOM 0 HA GLU A 10 14.917 6.267 -0.594 1.00 0.52 H new ATOM 0 HB2 GLU A 10 12.644 5.155 1.080 1.00 0.57 H new ATOM 0 HB3 GLU A 10 13.618 6.557 1.478 1.00 0.57 H new ATOM 0 HG2 GLU A 10 12.689 7.790 -0.491 1.00 1.30 H new ATOM 0 HG3 GLU A 10 11.759 6.380 -0.959 1.00 1.30 H new ATOM 145 N GLU A 11 14.639 3.475 1.076 1.00 0.50 N ATOM 146 CA GLU A 11 15.332 2.477 1.908 1.00 0.53 C ATOM 147 C GLU A 11 16.594 1.908 1.220 1.00 0.48 C ATOM 148 O GLU A 11 17.687 2.112 1.697 1.00 0.54 O ATOM 149 CB GLU A 11 14.218 1.497 2.183 1.00 0.61 C ATOM 150 CG GLU A 11 13.103 2.219 2.991 1.00 0.90 C ATOM 151 CD GLU A 11 12.613 1.674 4.334 1.00 1.43 C ATOM 152 OE1 GLU A 11 12.992 0.577 4.735 1.00 0.97 O ATOM 153 OE2 GLU A 11 11.831 2.466 4.856 1.00 2.44 O ATOM 0 H GLU A 11 13.654 3.269 0.909 1.00 0.50 H new ATOM 0 HA GLU A 11 15.770 2.856 2.831 1.00 0.53 H new ATOM 0 HB2 GLU A 11 13.815 1.111 1.247 1.00 0.61 H new ATOM 0 HB3 GLU A 11 14.597 0.642 2.744 1.00 0.61 H new ATOM 0 HG2 GLU A 11 13.449 3.237 3.169 1.00 0.90 H new ATOM 0 HG3 GLU A 11 12.232 2.287 2.339 1.00 0.90 H new ATOM 160 N VAL A 12 16.459 1.211 0.120 1.00 0.39 N ATOM 161 CA VAL A 12 17.593 0.623 -0.628 1.00 0.38 C ATOM 162 C VAL A 12 18.702 1.653 -0.807 1.00 0.34 C ATOM 163 O VAL A 12 19.873 1.371 -0.673 1.00 0.36 O ATOM 164 CB VAL A 12 16.989 0.137 -1.959 1.00 0.30 C ATOM 165 CG1 VAL A 12 17.037 1.154 -3.077 1.00 0.30 C ATOM 166 CG2 VAL A 12 17.632 -1.126 -2.384 1.00 0.27 C ATOM 0 H VAL A 12 15.552 1.021 -0.306 1.00 0.39 H new ATOM 0 HA VAL A 12 18.066 -0.209 -0.105 1.00 0.38 H new ATOM 0 HB VAL A 12 15.930 -0.029 -1.759 1.00 0.30 H new ATOM 0 HG11 VAL A 12 16.591 0.728 -3.976 1.00 0.30 H new ATOM 0 HG12 VAL A 12 16.481 2.044 -2.783 1.00 0.30 H new ATOM 0 HG13 VAL A 12 18.074 1.424 -3.279 1.00 0.30 H new ATOM 0 HG21 VAL A 12 17.195 -1.458 -3.326 1.00 0.27 H new ATOM 0 HG22 VAL A 12 18.701 -0.963 -2.517 1.00 0.27 H new ATOM 0 HG23 VAL A 12 17.474 -1.889 -1.622 1.00 0.27 H new ATOM 176 N LYS A 13 18.312 2.859 -1.095 1.00 0.32 N ATOM 177 CA LYS A 13 19.294 3.946 -1.299 1.00 0.31 C ATOM 178 C LYS A 13 20.222 4.184 -0.103 1.00 0.15 C ATOM 179 O LYS A 13 21.200 4.896 -0.233 1.00 0.04 O ATOM 180 CB LYS A 13 18.504 5.200 -1.614 1.00 0.43 C ATOM 181 CG LYS A 13 18.315 5.336 -3.130 1.00 0.49 C ATOM 182 CD LYS A 13 17.723 6.723 -3.432 1.00 1.07 C ATOM 183 CE LYS A 13 18.607 7.862 -2.885 1.00 1.40 C ATOM 184 NZ LYS A 13 19.964 7.845 -3.516 1.00 1.07 N ATOM 0 H LYS A 13 17.337 3.139 -1.199 1.00 0.32 H new ATOM 0 HA LYS A 13 19.959 3.661 -2.114 1.00 0.31 H new ATOM 0 HB2 LYS A 13 17.533 5.161 -1.121 1.00 0.43 H new ATOM 0 HB3 LYS A 13 19.025 6.075 -1.225 1.00 0.43 H new ATOM 0 HG2 LYS A 13 19.269 5.213 -3.642 1.00 0.49 H new ATOM 0 HG3 LYS A 13 17.652 4.554 -3.500 1.00 0.49 H new ATOM 0 HD2 LYS A 13 17.607 6.840 -4.509 1.00 1.07 H new ATOM 0 HD3 LYS A 13 16.727 6.795 -2.994 1.00 1.07 H new ATOM 0 HE2 LYS A 13 18.127 8.822 -3.075 1.00 1.40 H new ATOM 0 HE3 LYS A 13 18.705 7.763 -1.804 1.00 1.40 H new ATOM 0 HZ1 LYS A 13 20.673 7.568 -2.807 1.00 1.07 H new ATOM 0 HZ2 LYS A 13 19.973 7.162 -4.301 1.00 1.07 H new ATOM 0 HZ3 LYS A 13 20.190 8.793 -3.879 1.00 1.07 H new ATOM 198 N HIS A 14 19.878 3.563 0.989 1.00 0.20 N ATOM 199 CA HIS A 14 20.670 3.701 2.236 1.00 0.27 C ATOM 200 C HIS A 14 21.624 2.503 2.436 1.00 0.40 C ATOM 201 O HIS A 14 22.469 2.533 3.310 1.00 0.76 O ATOM 202 CB HIS A 14 19.633 3.857 3.391 1.00 0.41 C ATOM 203 CG HIS A 14 18.979 5.254 3.373 1.00 0.53 C ATOM 204 ND1 HIS A 14 17.928 5.666 2.724 1.00 0.46 N ATOM 205 CD2 HIS A 14 19.402 6.370 4.067 1.00 0.91 C ATOM 206 CE1 HIS A 14 17.720 6.920 2.993 1.00 0.74 C ATOM 207 NE2 HIS A 14 18.613 7.395 3.823 1.00 1.01 N ATOM 0 H HIS A 14 19.064 2.954 1.069 1.00 0.20 H new ATOM 0 HA HIS A 14 21.327 4.570 2.203 1.00 0.27 H new ATOM 0 HB2 HIS A 14 18.863 3.091 3.297 1.00 0.41 H new ATOM 0 HB3 HIS A 14 20.126 3.697 4.350 1.00 0.41 H new ATOM 0 HD1 HIS A 14 17.357 5.094 2.102 1.00 0.46 H new ATOM 0 HD2 HIS A 14 20.262 6.398 4.720 1.00 0.91 H new ATOM 0 HE1 HIS A 14 16.908 7.500 2.581 1.00 0.74 H new ATOM 215 N LEU A 15 21.474 1.472 1.640 1.00 0.20 N ATOM 216 CA LEU A 15 22.340 0.270 1.733 1.00 0.38 C ATOM 217 C LEU A 15 23.839 0.568 1.880 1.00 0.52 C ATOM 218 O LEU A 15 24.566 0.610 0.903 1.00 0.70 O ATOM 219 CB LEU A 15 22.066 -0.537 0.483 1.00 0.35 C ATOM 220 CG LEU A 15 20.659 -1.080 0.502 1.00 0.15 C ATOM 221 CD1 LEU A 15 20.422 -1.672 -0.850 1.00 0.23 C ATOM 222 CD2 LEU A 15 20.529 -2.190 1.492 1.00 0.33 C ATOM 0 H LEU A 15 20.764 1.419 0.910 1.00 0.20 H new ATOM 0 HA LEU A 15 22.096 -0.272 2.647 1.00 0.38 H new ATOM 0 HB2 LEU A 15 22.209 0.088 -0.399 1.00 0.35 H new ATOM 0 HB3 LEU A 15 22.778 -1.359 0.410 1.00 0.35 H new ATOM 0 HG LEU A 15 19.959 -0.286 0.761 1.00 0.15 H new ATOM 0 HD11 LEU A 15 19.414 -2.083 -0.896 1.00 0.23 H new ATOM 0 HD12 LEU A 15 20.533 -0.899 -1.610 1.00 0.23 H new ATOM 0 HD13 LEU A 15 21.146 -2.466 -1.031 1.00 0.23 H new ATOM 0 HD21 LEU A 15 19.505 -2.564 1.487 1.00 0.33 H new ATOM 0 HD22 LEU A 15 21.212 -2.997 1.226 1.00 0.33 H new ATOM 0 HD23 LEU A 15 20.775 -1.820 2.487 1.00 0.33 H new ATOM 234 N LYS A 16 24.265 0.772 3.100 1.00 0.48 N ATOM 235 CA LYS A 16 25.689 1.069 3.442 1.00 0.57 C ATOM 236 C LYS A 16 26.688 0.220 2.656 1.00 0.57 C ATOM 237 O LYS A 16 27.861 0.547 2.557 1.00 0.78 O ATOM 238 CB LYS A 16 25.838 0.850 4.956 1.00 0.53 C ATOM 239 CG LYS A 16 25.005 1.904 5.729 1.00 0.88 C ATOM 240 CD LYS A 16 24.966 1.461 7.216 1.00 0.58 C ATOM 241 CE LYS A 16 23.936 2.276 8.001 1.00 1.99 C ATOM 242 NZ LYS A 16 22.590 1.914 7.477 1.00 2.37 N ATOM 0 H LYS A 16 23.650 0.743 3.913 1.00 0.48 H new ATOM 0 HA LYS A 16 25.921 2.097 3.165 1.00 0.57 H new ATOM 0 HB2 LYS A 16 25.506 -0.154 5.221 1.00 0.53 H new ATOM 0 HB3 LYS A 16 26.888 0.924 5.241 1.00 0.53 H new ATOM 0 HG2 LYS A 16 25.453 2.893 5.634 1.00 0.88 H new ATOM 0 HG3 LYS A 16 23.996 1.971 5.321 1.00 0.88 H new ATOM 0 HD2 LYS A 16 24.720 0.401 7.278 1.00 0.58 H new ATOM 0 HD3 LYS A 16 25.952 1.586 7.663 1.00 0.58 H new ATOM 0 HE2 LYS A 16 24.005 2.057 9.067 1.00 1.99 H new ATOM 0 HE3 LYS A 16 24.120 3.344 7.882 1.00 1.99 H new ATOM 0 HZ1 LYS A 16 22.118 2.767 7.114 1.00 2.37 H new ATOM 0 HZ2 LYS A 16 22.692 1.221 6.709 1.00 2.37 H new ATOM 0 HZ3 LYS A 16 22.019 1.502 8.242 1.00 2.37 H new ATOM 256 N THR A 17 26.183 -0.855 2.119 1.00 0.46 N ATOM 257 CA THR A 17 27.053 -1.741 1.350 1.00 0.63 C ATOM 258 C THR A 17 26.714 -2.168 -0.096 1.00 0.58 C ATOM 259 O THR A 17 26.214 -3.252 -0.299 1.00 0.69 O ATOM 260 CB THR A 17 27.280 -2.994 2.208 1.00 0.75 C ATOM 261 OG1 THR A 17 27.907 -2.534 3.398 1.00 1.06 O ATOM 262 CG2 THR A 17 28.407 -3.720 1.543 1.00 0.52 C ATOM 0 H THR A 17 25.207 -1.145 2.187 1.00 0.46 H new ATOM 0 HA THR A 17 27.920 -1.110 1.156 1.00 0.63 H new ATOM 0 HB THR A 17 26.364 -3.567 2.353 1.00 0.75 H new ATOM 0 HG1 THR A 17 28.078 -3.294 3.993 1.00 1.06 H new ATOM 0 HG21 THR A 17 28.631 -4.631 2.098 1.00 0.52 H new ATOM 0 HG22 THR A 17 28.122 -3.977 0.523 1.00 0.52 H new ATOM 0 HG23 THR A 17 29.290 -3.081 1.523 1.00 0.52 H new ATOM 270 N LYS A 18 26.972 -1.286 -1.029 1.00 0.43 N ATOM 271 CA LYS A 18 26.776 -1.476 -2.506 1.00 0.28 C ATOM 272 C LYS A 18 26.663 -3.002 -2.792 1.00 0.31 C ATOM 273 O LYS A 18 27.662 -3.686 -2.889 1.00 0.30 O ATOM 274 CB LYS A 18 28.010 -0.789 -3.182 1.00 0.12 C ATOM 275 CG LYS A 18 29.360 -1.098 -2.444 1.00 1.51 C ATOM 276 CD LYS A 18 29.604 0.007 -1.341 1.00 3.18 C ATOM 277 CE LYS A 18 30.193 -0.605 -0.063 1.00 4.23 C ATOM 278 NZ LYS A 18 30.083 0.414 1.039 1.00 5.84 N ATOM 0 H LYS A 18 27.343 -0.363 -0.804 1.00 0.43 H new ATOM 0 HA LYS A 18 25.864 -1.029 -2.902 1.00 0.28 H new ATOM 0 HB2 LYS A 18 28.083 -1.122 -4.217 1.00 0.12 H new ATOM 0 HB3 LYS A 18 27.852 0.289 -3.204 1.00 0.12 H new ATOM 0 HG2 LYS A 18 29.322 -2.086 -1.986 1.00 1.51 H new ATOM 0 HG3 LYS A 18 30.185 -1.109 -3.156 1.00 1.51 H new ATOM 0 HD2 LYS A 18 30.281 0.768 -1.729 1.00 3.18 H new ATOM 0 HD3 LYS A 18 28.663 0.506 -1.108 1.00 3.18 H new ATOM 0 HE2 LYS A 18 29.656 -1.515 0.205 1.00 4.23 H new ATOM 0 HE3 LYS A 18 31.235 -0.884 -0.220 1.00 4.23 H new ATOM 0 HZ1 LYS A 18 30.553 0.053 1.894 1.00 5.84 H new ATOM 0 HZ2 LYS A 18 30.540 1.299 0.740 1.00 5.84 H new ATOM 0 HZ3 LYS A 18 29.080 0.595 1.245 1.00 5.84 H new ATOM 292 N PRO A 19 25.450 -3.488 -2.888 1.00 0.38 N ATOM 293 CA PRO A 19 25.151 -4.932 -3.141 1.00 0.45 C ATOM 294 C PRO A 19 25.779 -5.667 -4.338 1.00 0.50 C ATOM 295 O PRO A 19 26.334 -5.060 -5.228 1.00 0.56 O ATOM 296 CB PRO A 19 23.629 -4.929 -3.159 1.00 0.42 C ATOM 297 CG PRO A 19 23.282 -3.715 -2.228 1.00 0.38 C ATOM 298 CD PRO A 19 24.215 -2.681 -2.744 1.00 0.37 C ATOM 0 HA PRO A 19 25.635 -5.537 -2.374 1.00 0.45 H new ATOM 0 HB2 PRO A 19 23.235 -4.794 -4.166 1.00 0.42 H new ATOM 0 HB3 PRO A 19 23.217 -5.863 -2.778 1.00 0.42 H new ATOM 0 HG2 PRO A 19 22.239 -3.411 -2.319 1.00 0.38 H new ATOM 0 HG3 PRO A 19 23.457 -3.940 -1.176 1.00 0.38 H new ATOM 0 HD2 PRO A 19 23.883 -2.257 -3.692 1.00 0.37 H new ATOM 0 HD3 PRO A 19 24.340 -1.850 -2.050 1.00 0.37 H new ATOM 306 N ALA A 20 25.671 -6.973 -4.366 1.00 0.49 N ATOM 307 CA ALA A 20 26.289 -7.687 -5.538 1.00 0.53 C ATOM 308 C ALA A 20 25.631 -7.176 -6.846 1.00 0.61 C ATOM 309 O ALA A 20 24.417 -7.213 -6.994 1.00 0.69 O ATOM 310 CB ALA A 20 26.071 -9.189 -5.352 1.00 0.48 C ATOM 0 H ALA A 20 25.207 -7.556 -3.669 1.00 0.49 H new ATOM 0 HA ALA A 20 27.360 -7.492 -5.600 1.00 0.53 H new ATOM 0 HB1 ALA A 20 26.512 -9.727 -6.191 1.00 0.48 H new ATOM 0 HB2 ALA A 20 26.544 -9.513 -4.425 1.00 0.48 H new ATOM 0 HB3 ALA A 20 25.002 -9.399 -5.307 1.00 0.48 H new ATOM 316 N ASP A 21 26.453 -6.708 -7.756 1.00 0.60 N ATOM 317 CA ASP A 21 25.917 -6.185 -9.041 1.00 0.66 C ATOM 318 C ASP A 21 24.759 -7.045 -9.591 1.00 0.68 C ATOM 319 O ASP A 21 23.885 -6.467 -10.181 1.00 0.72 O ATOM 320 CB ASP A 21 27.110 -6.049 -10.030 1.00 0.70 C ATOM 321 CG ASP A 21 28.132 -5.068 -9.435 1.00 0.70 C ATOM 322 OD1 ASP A 21 28.819 -5.477 -8.518 1.00 1.26 O ATOM 323 OD2 ASP A 21 28.165 -3.950 -9.930 1.00 1.70 O ATOM 0 H ASP A 21 27.468 -6.668 -7.660 1.00 0.60 H new ATOM 0 HA ASP A 21 25.467 -5.204 -8.888 1.00 0.66 H new ATOM 0 HB2 ASP A 21 27.573 -7.021 -10.200 1.00 0.70 H new ATOM 0 HB3 ASP A 21 26.760 -5.690 -10.998 1.00 0.70 H new ATOM 328 N GLU A 22 24.686 -8.344 -9.450 1.00 0.68 N ATOM 329 CA GLU A 22 23.516 -9.086 -9.995 1.00 0.66 C ATOM 330 C GLU A 22 22.261 -8.720 -9.160 1.00 0.59 C ATOM 331 O GLU A 22 21.201 -8.430 -9.693 1.00 0.46 O ATOM 332 CB GLU A 22 23.827 -10.589 -9.911 1.00 0.75 C ATOM 333 CG GLU A 22 25.206 -10.871 -10.605 1.00 0.51 C ATOM 334 CD GLU A 22 26.425 -10.898 -9.666 1.00 1.12 C ATOM 335 OE1 GLU A 22 26.275 -10.535 -8.513 1.00 2.27 O ATOM 336 OE2 GLU A 22 27.457 -11.286 -10.183 1.00 1.61 O ATOM 0 H GLU A 22 25.386 -8.919 -8.982 1.00 0.68 H new ATOM 0 HA GLU A 22 23.322 -8.822 -11.035 1.00 0.66 H new ATOM 0 HB2 GLU A 22 23.859 -10.908 -8.869 1.00 0.75 H new ATOM 0 HB3 GLU A 22 23.038 -11.163 -10.396 1.00 0.75 H new ATOM 0 HG2 GLU A 22 25.145 -11.829 -11.120 1.00 0.51 H new ATOM 0 HG3 GLU A 22 25.372 -10.109 -11.367 1.00 0.51 H new ATOM 343 N GLU A 23 22.392 -8.719 -7.851 1.00 0.70 N ATOM 344 CA GLU A 23 21.193 -8.367 -7.007 1.00 0.67 C ATOM 345 C GLU A 23 20.807 -6.917 -7.301 1.00 0.65 C ATOM 346 O GLU A 23 19.654 -6.524 -7.192 1.00 0.58 O ATOM 347 CB GLU A 23 21.494 -8.502 -5.467 1.00 0.67 C ATOM 348 CG GLU A 23 21.911 -9.943 -5.105 1.00 0.61 C ATOM 349 CD GLU A 23 22.037 -10.128 -3.573 1.00 0.52 C ATOM 350 OE1 GLU A 23 21.873 -9.187 -2.815 1.00 0.82 O ATOM 351 OE2 GLU A 23 22.291 -11.238 -3.154 1.00 1.66 O ATOM 0 H GLU A 23 23.247 -8.939 -7.340 1.00 0.70 H new ATOM 0 HA GLU A 23 20.387 -9.058 -7.255 1.00 0.67 H new ATOM 0 HB2 GLU A 23 22.288 -7.809 -5.187 1.00 0.67 H new ATOM 0 HB3 GLU A 23 20.610 -8.222 -4.895 1.00 0.67 H new ATOM 0 HG2 GLU A 23 21.176 -10.645 -5.498 1.00 0.61 H new ATOM 0 HG3 GLU A 23 22.863 -10.178 -5.581 1.00 0.61 H new ATOM 358 N MET A 24 21.805 -6.167 -7.691 1.00 0.76 N ATOM 359 CA MET A 24 21.614 -4.751 -8.015 1.00 0.74 C ATOM 360 C MET A 24 20.882 -4.800 -9.335 1.00 0.69 C ATOM 361 O MET A 24 19.806 -4.271 -9.394 1.00 0.74 O ATOM 362 CB MET A 24 22.970 -4.204 -8.072 1.00 0.81 C ATOM 363 CG MET A 24 23.503 -4.110 -6.641 1.00 0.86 C ATOM 364 SD MET A 24 22.625 -2.915 -5.605 1.00 2.45 S ATOM 365 CE MET A 24 23.316 -1.500 -6.487 1.00 1.35 C ATOM 0 H MET A 24 22.763 -6.500 -7.796 1.00 0.76 H new ATOM 0 HA MET A 24 21.044 -4.128 -7.326 1.00 0.74 H new ATOM 0 HB2 MET A 24 23.613 -4.843 -8.677 1.00 0.81 H new ATOM 0 HB3 MET A 24 22.965 -3.221 -8.542 1.00 0.81 H new ATOM 0 HG2 MET A 24 23.440 -5.094 -6.176 1.00 0.86 H new ATOM 0 HG3 MET A 24 24.558 -3.840 -6.674 1.00 0.86 H new ATOM 0 HE1 MET A 24 23.320 -0.629 -5.831 1.00 1.35 H new ATOM 0 HE2 MET A 24 24.337 -1.727 -6.795 1.00 1.35 H new ATOM 0 HE3 MET A 24 22.709 -1.289 -7.368 1.00 1.35 H new ATOM 375 N LEU A 25 21.459 -5.395 -10.343 1.00 0.61 N ATOM 376 CA LEU A 25 20.862 -5.557 -11.685 1.00 0.57 C ATOM 377 C LEU A 25 19.334 -5.693 -11.471 1.00 0.48 C ATOM 378 O LEU A 25 18.542 -4.957 -12.039 1.00 0.52 O ATOM 379 CB LEU A 25 21.561 -6.806 -12.244 1.00 0.64 C ATOM 380 CG LEU A 25 22.790 -6.404 -13.030 1.00 0.55 C ATOM 381 CD1 LEU A 25 23.788 -7.491 -13.242 1.00 0.73 C ATOM 382 CD2 LEU A 25 22.335 -5.958 -14.395 1.00 0.44 C ATOM 0 H LEU A 25 22.391 -5.803 -10.273 1.00 0.61 H new ATOM 0 HA LEU A 25 20.994 -4.738 -12.392 1.00 0.57 H new ATOM 0 HB2 LEU A 25 21.843 -7.471 -11.428 1.00 0.64 H new ATOM 0 HB3 LEU A 25 20.875 -7.361 -12.884 1.00 0.64 H new ATOM 0 HG LEU A 25 23.283 -5.629 -12.443 1.00 0.55 H new ATOM 0 HD11 LEU A 25 24.631 -7.104 -13.815 1.00 0.73 H new ATOM 0 HD12 LEU A 25 24.141 -7.854 -12.277 1.00 0.73 H new ATOM 0 HD13 LEU A 25 23.323 -8.310 -13.790 1.00 0.73 H new ATOM 0 HD21 LEU A 25 23.200 -5.661 -14.988 1.00 0.44 H new ATOM 0 HD22 LEU A 25 21.819 -6.779 -14.893 1.00 0.44 H new ATOM 0 HD23 LEU A 25 21.656 -5.111 -14.294 1.00 0.44 H new ATOM 394 N PHE A 26 18.976 -6.653 -10.631 1.00 0.38 N ATOM 395 CA PHE A 26 17.518 -6.850 -10.354 1.00 0.33 C ATOM 396 C PHE A 26 16.943 -5.526 -9.833 1.00 0.18 C ATOM 397 O PHE A 26 16.117 -4.905 -10.473 1.00 0.08 O ATOM 398 CB PHE A 26 17.300 -7.910 -9.274 1.00 0.34 C ATOM 399 CG PHE A 26 15.779 -8.063 -9.139 1.00 0.34 C ATOM 400 CD1 PHE A 26 15.016 -7.204 -8.345 1.00 1.43 C ATOM 401 CD2 PHE A 26 15.158 -9.072 -9.846 1.00 1.28 C ATOM 402 CE1 PHE A 26 13.651 -7.380 -8.278 1.00 1.50 C ATOM 403 CE2 PHE A 26 13.798 -9.236 -9.772 1.00 1.22 C ATOM 404 CZ PHE A 26 13.056 -8.388 -8.989 1.00 0.41 C ATOM 0 H PHE A 26 19.612 -7.284 -10.144 1.00 0.38 H new ATOM 0 HA PHE A 26 17.030 -7.172 -11.274 1.00 0.33 H new ATOM 0 HB2 PHE A 26 17.765 -8.855 -9.554 1.00 0.34 H new ATOM 0 HB3 PHE A 26 17.748 -7.603 -8.329 1.00 0.34 H new ATOM 0 HD1 PHE A 26 15.491 -6.409 -7.789 1.00 1.43 H new ATOM 0 HD2 PHE A 26 15.746 -9.737 -10.461 1.00 1.28 H new ATOM 0 HE1 PHE A 26 13.051 -6.724 -7.665 1.00 1.50 H new ATOM 0 HE2 PHE A 26 13.315 -10.027 -10.326 1.00 1.22 H new ATOM 0 HZ PHE A 26 11.985 -8.518 -8.932 1.00 0.41 H new ATOM 414 N ILE A 27 17.409 -5.139 -8.673 1.00 0.24 N ATOM 415 CA ILE A 27 16.944 -3.872 -8.044 1.00 0.14 C ATOM 416 C ILE A 27 16.917 -2.752 -9.113 1.00 0.13 C ATOM 417 O ILE A 27 15.851 -2.251 -9.404 1.00 0.10 O ATOM 418 CB ILE A 27 17.911 -3.657 -6.896 1.00 0.21 C ATOM 419 CG1 ILE A 27 17.693 -4.854 -5.867 1.00 0.24 C ATOM 420 CG2 ILE A 27 17.555 -2.315 -6.276 1.00 0.21 C ATOM 421 CD1 ILE A 27 16.658 -4.505 -4.805 1.00 0.19 C ATOM 0 H ILE A 27 18.101 -5.656 -8.130 1.00 0.24 H new ATOM 0 HA ILE A 27 15.926 -3.887 -7.656 1.00 0.14 H new ATOM 0 HB ILE A 27 18.957 -3.646 -7.203 1.00 0.21 H new ATOM 0 HG12 ILE A 27 17.373 -5.745 -6.408 1.00 0.24 H new ATOM 0 HG13 ILE A 27 18.640 -5.097 -5.386 1.00 0.24 H new ATOM 0 HG21 ILE A 27 18.225 -2.111 -5.441 1.00 0.21 H new ATOM 0 HG22 ILE A 27 17.659 -1.529 -7.024 1.00 0.21 H new ATOM 0 HG23 ILE A 27 16.526 -2.341 -5.918 1.00 0.21 H new ATOM 0 HD11 ILE A 27 16.538 -5.347 -4.123 1.00 0.19 H new ATOM 0 HD12 ILE A 27 16.991 -3.630 -4.247 1.00 0.19 H new ATOM 0 HD13 ILE A 27 15.704 -4.288 -5.285 1.00 0.19 H new ATOM 433 N TYR A 28 18.038 -2.363 -9.669 1.00 0.21 N ATOM 434 CA TYR A 28 18.001 -1.289 -10.733 1.00 0.25 C ATOM 435 C TYR A 28 16.909 -1.558 -11.815 1.00 0.22 C ATOM 436 O TYR A 28 16.000 -0.762 -11.941 1.00 0.22 O ATOM 437 CB TYR A 28 19.364 -1.199 -11.448 1.00 0.32 C ATOM 438 CG TYR A 28 19.273 -0.211 -12.639 1.00 0.32 C ATOM 439 CD1 TYR A 28 18.879 -0.665 -13.887 1.00 0.75 C ATOM 440 CD2 TYR A 28 19.569 1.134 -12.506 1.00 0.37 C ATOM 441 CE1 TYR A 28 18.784 0.200 -14.960 1.00 0.89 C ATOM 442 CE2 TYR A 28 19.466 1.981 -13.597 1.00 0.23 C ATOM 443 CZ TYR A 28 19.075 1.514 -14.836 1.00 0.53 C ATOM 444 OH TYR A 28 18.979 2.308 -15.956 1.00 0.76 O ATOM 0 H TYR A 28 18.963 -2.728 -9.444 1.00 0.21 H new ATOM 0 HA TYR A 28 17.765 -0.357 -10.220 1.00 0.25 H new ATOM 0 HB2 TYR A 28 20.130 -0.867 -10.747 1.00 0.32 H new ATOM 0 HB3 TYR A 28 19.663 -2.185 -11.804 1.00 0.32 H new ATOM 0 HD1 TYR A 28 18.643 -1.710 -14.023 1.00 0.75 H new ATOM 0 HD2 TYR A 28 19.881 1.525 -11.549 1.00 0.37 H new ATOM 0 HE1 TYR A 28 18.470 -0.183 -15.920 1.00 0.89 H new ATOM 0 HE2 TYR A 28 19.696 3.029 -13.476 1.00 0.23 H new ATOM 0 HH TYR A 28 19.723 2.945 -15.970 1.00 0.76 H new ATOM 454 N SER A 29 17.007 -2.646 -12.545 1.00 0.19 N ATOM 455 CA SER A 29 15.960 -2.922 -13.611 1.00 0.16 C ATOM 456 C SER A 29 14.540 -2.717 -13.114 1.00 0.17 C ATOM 457 O SER A 29 13.758 -1.998 -13.709 1.00 0.19 O ATOM 458 CB SER A 29 16.093 -4.361 -14.134 1.00 0.12 C ATOM 459 OG SER A 29 15.911 -5.171 -12.979 1.00 0.31 O ATOM 0 H SER A 29 17.744 -3.346 -12.461 1.00 0.19 H new ATOM 0 HA SER A 29 16.145 -2.203 -14.409 1.00 0.16 H new ATOM 0 HB2 SER A 29 15.344 -4.579 -14.895 1.00 0.12 H new ATOM 0 HB3 SER A 29 17.069 -4.531 -14.589 1.00 0.12 H new ATOM 0 HG SER A 29 16.707 -5.114 -12.411 1.00 0.31 H new ATOM 465 N HIS A 30 14.252 -3.349 -12.022 1.00 0.20 N ATOM 466 CA HIS A 30 12.903 -3.233 -11.433 1.00 0.20 C ATOM 467 C HIS A 30 12.594 -1.795 -10.959 1.00 0.17 C ATOM 468 O HIS A 30 11.539 -1.282 -11.264 1.00 0.14 O ATOM 469 CB HIS A 30 12.922 -4.285 -10.361 1.00 0.17 C ATOM 470 CG HIS A 30 12.743 -5.616 -11.090 1.00 0.18 C ATOM 471 ND1 HIS A 30 13.586 -6.155 -11.915 1.00 1.39 N ATOM 472 CD2 HIS A 30 11.683 -6.496 -11.048 1.00 1.06 C ATOM 473 CE1 HIS A 30 13.096 -7.275 -12.348 1.00 1.00 C ATOM 474 NE2 HIS A 30 11.916 -7.526 -11.836 1.00 0.53 N ATOM 0 H HIS A 30 14.900 -3.946 -11.508 1.00 0.20 H new ATOM 0 HA HIS A 30 12.085 -3.404 -12.133 1.00 0.20 H new ATOM 0 HB2 HIS A 30 13.861 -4.264 -9.808 1.00 0.17 H new ATOM 0 HB3 HIS A 30 12.122 -4.123 -9.638 1.00 0.17 H new ATOM 0 HD1 HIS A 30 14.489 -5.762 -12.181 1.00 1.39 H new ATOM 0 HD2 HIS A 30 10.791 -6.361 -10.455 1.00 1.06 H new ATOM 0 HE1 HIS A 30 13.601 -7.924 -13.048 1.00 1.00 H new ATOM 482 N TYR A 31 13.477 -1.177 -10.240 1.00 0.19 N ATOM 483 CA TYR A 31 13.270 0.213 -9.753 1.00 0.16 C ATOM 484 C TYR A 31 13.043 1.174 -10.945 1.00 0.29 C ATOM 485 O TYR A 31 12.109 1.948 -10.960 1.00 0.40 O ATOM 486 CB TYR A 31 14.500 0.591 -9.032 1.00 0.13 C ATOM 487 CG TYR A 31 14.450 2.048 -8.674 1.00 0.12 C ATOM 488 CD1 TYR A 31 13.607 2.554 -7.715 1.00 0.98 C ATOM 489 CD2 TYR A 31 15.287 2.866 -9.364 1.00 1.17 C ATOM 490 CE1 TYR A 31 13.620 3.912 -7.464 1.00 0.91 C ATOM 491 CE2 TYR A 31 15.299 4.198 -9.114 1.00 1.23 C ATOM 492 CZ TYR A 31 14.474 4.732 -8.170 1.00 0.24 C ATOM 493 OH TYR A 31 14.535 6.086 -7.957 1.00 0.34 O ATOM 0 H TYR A 31 14.366 -1.590 -9.958 1.00 0.19 H new ATOM 0 HA TYR A 31 12.394 0.274 -9.108 1.00 0.16 H new ATOM 0 HB2 TYR A 31 14.604 -0.012 -8.130 1.00 0.13 H new ATOM 0 HB3 TYR A 31 15.373 0.389 -9.652 1.00 0.13 H new ATOM 0 HD1 TYR A 31 12.945 1.901 -7.166 1.00 0.98 H new ATOM 0 HD2 TYR A 31 15.945 2.453 -10.114 1.00 1.17 H new ATOM 0 HE1 TYR A 31 12.963 4.331 -6.716 1.00 0.91 H new ATOM 0 HE2 TYR A 31 15.967 4.841 -9.667 1.00 1.23 H new ATOM 0 HH TYR A 31 15.202 6.482 -8.556 1.00 0.34 H new ATOM 503 N LYS A 32 13.935 1.076 -11.896 1.00 0.28 N ATOM 504 CA LYS A 32 13.883 1.918 -13.128 1.00 0.35 C ATOM 505 C LYS A 32 12.543 1.610 -13.819 1.00 0.33 C ATOM 506 O LYS A 32 11.807 2.523 -14.118 1.00 0.31 O ATOM 507 CB LYS A 32 15.113 1.524 -13.902 1.00 0.35 C ATOM 508 CG LYS A 32 16.356 1.929 -13.031 1.00 0.36 C ATOM 509 CD LYS A 32 16.686 3.475 -12.977 1.00 0.44 C ATOM 510 CE LYS A 32 16.912 4.023 -14.379 1.00 0.63 C ATOM 511 NZ LYS A 32 18.038 5.033 -14.423 1.00 0.61 N ATOM 0 H LYS A 32 14.721 0.427 -11.868 1.00 0.28 H new ATOM 0 HA LYS A 32 13.903 2.998 -12.983 1.00 0.35 H new ATOM 0 HB2 LYS A 32 15.115 0.453 -14.102 1.00 0.35 H new ATOM 0 HB3 LYS A 32 15.138 2.029 -14.868 1.00 0.35 H new ATOM 0 HG2 LYS A 32 16.193 1.576 -12.013 1.00 0.36 H new ATOM 0 HG3 LYS A 32 17.231 1.403 -13.414 1.00 0.36 H new ATOM 0 HD2 LYS A 32 15.866 4.011 -12.499 1.00 0.44 H new ATOM 0 HD3 LYS A 32 17.574 3.642 -12.368 1.00 0.44 H new ATOM 0 HE2 LYS A 32 17.138 3.200 -15.057 1.00 0.63 H new ATOM 0 HE3 LYS A 32 15.994 4.489 -14.738 1.00 0.63 H new ATOM 0 HZ1 LYS A 32 17.721 5.884 -14.930 1.00 0.61 H new ATOM 0 HZ2 LYS A 32 18.312 5.290 -13.453 1.00 0.61 H new ATOM 0 HZ3 LYS A 32 18.856 4.620 -14.916 1.00 0.61 H new ATOM 525 N GLN A 33 12.230 0.370 -14.087 1.00 0.34 N ATOM 526 CA GLN A 33 10.893 0.130 -14.737 1.00 0.33 C ATOM 527 C GLN A 33 9.756 0.679 -13.863 1.00 0.33 C ATOM 528 O GLN A 33 8.923 1.393 -14.378 1.00 0.38 O ATOM 529 CB GLN A 33 10.661 -1.351 -14.966 1.00 0.30 C ATOM 530 CG GLN A 33 10.337 -1.657 -16.476 1.00 0.41 C ATOM 531 CD GLN A 33 8.939 -1.250 -16.997 1.00 0.74 C ATOM 532 OE1 GLN A 33 8.631 -1.576 -18.121 1.00 1.63 O ATOM 533 NE2 GLN A 33 8.058 -0.592 -16.311 1.00 0.90 N ATOM 0 H GLN A 33 12.802 -0.453 -13.899 1.00 0.34 H new ATOM 0 HA GLN A 33 10.899 0.649 -15.696 1.00 0.33 H new ATOM 0 HB2 GLN A 33 11.546 -1.910 -14.662 1.00 0.30 H new ATOM 0 HB3 GLN A 33 9.837 -1.693 -14.339 1.00 0.30 H new ATOM 0 HG2 GLN A 33 11.085 -1.156 -17.090 1.00 0.41 H new ATOM 0 HG3 GLN A 33 10.458 -2.728 -16.637 1.00 0.41 H new ATOM 0 HE21 GLN A 33 8.271 -0.295 -15.359 1.00 0.90 H new ATOM 0 HE22 GLN A 33 7.152 -0.371 -16.723 1.00 0.90 H new ATOM 542 N ALA A 34 9.730 0.350 -12.596 1.00 0.25 N ATOM 543 CA ALA A 34 8.657 0.840 -11.676 1.00 0.24 C ATOM 544 C ALA A 34 8.468 2.365 -11.659 1.00 0.23 C ATOM 545 O ALA A 34 7.338 2.814 -11.698 1.00 0.19 O ATOM 546 CB ALA A 34 8.969 0.404 -10.274 1.00 0.18 C ATOM 0 H ALA A 34 10.423 -0.251 -12.151 1.00 0.25 H new ATOM 0 HA ALA A 34 7.732 0.408 -12.057 1.00 0.24 H new ATOM 0 HB1 ALA A 34 8.189 0.759 -9.600 1.00 0.18 H new ATOM 0 HB2 ALA A 34 9.016 -0.684 -10.233 1.00 0.18 H new ATOM 0 HB3 ALA A 34 9.929 0.820 -9.969 1.00 0.18 H new ATOM 552 N THR A 35 9.568 3.072 -11.583 1.00 0.24 N ATOM 553 CA THR A 35 9.559 4.578 -11.552 1.00 0.23 C ATOM 554 C THR A 35 9.567 5.209 -12.944 1.00 0.28 C ATOM 555 O THR A 35 8.793 6.112 -13.187 1.00 0.40 O ATOM 556 CB THR A 35 10.800 5.096 -10.776 1.00 0.24 C ATOM 557 OG1 THR A 35 11.899 4.552 -11.485 1.00 0.33 O ATOM 558 CG2 THR A 35 10.937 4.459 -9.424 1.00 0.23 C ATOM 0 H THR A 35 10.501 2.661 -11.540 1.00 0.24 H new ATOM 0 HA THR A 35 8.632 4.868 -11.058 1.00 0.23 H new ATOM 0 HB THR A 35 10.736 6.180 -10.682 1.00 0.24 H new ATOM 0 HG1 THR A 35 12.194 3.726 -11.047 1.00 0.33 H new ATOM 0 HG21 THR A 35 11.820 4.855 -8.923 1.00 0.23 H new ATOM 0 HG22 THR A 35 10.052 4.678 -8.827 1.00 0.23 H new ATOM 0 HG23 THR A 35 11.039 3.380 -9.539 1.00 0.23 H new ATOM 566 N VAL A 36 10.411 4.744 -13.821 1.00 0.21 N ATOM 567 CA VAL A 36 10.494 5.303 -15.215 1.00 0.25 C ATOM 568 C VAL A 36 9.467 4.696 -16.187 1.00 0.29 C ATOM 569 O VAL A 36 8.621 5.359 -16.756 1.00 0.49 O ATOM 570 CB VAL A 36 11.899 5.034 -15.856 1.00 0.20 C ATOM 571 CG1 VAL A 36 12.008 5.869 -17.153 1.00 0.25 C ATOM 572 CG2 VAL A 36 13.078 5.295 -14.946 1.00 0.24 C ATOM 0 H VAL A 36 11.064 3.983 -13.634 1.00 0.21 H new ATOM 0 HA VAL A 36 10.297 6.367 -15.086 1.00 0.25 H new ATOM 0 HB VAL A 36 11.955 3.965 -16.064 1.00 0.20 H new ATOM 0 HG11 VAL A 36 12.980 5.697 -17.616 1.00 0.25 H new ATOM 0 HG12 VAL A 36 11.219 5.572 -17.844 1.00 0.25 H new ATOM 0 HG13 VAL A 36 11.902 6.927 -16.914 1.00 0.25 H new ATOM 0 HG21 VAL A 36 14.004 5.080 -15.480 1.00 0.24 H new ATOM 0 HG22 VAL A 36 13.073 6.339 -14.634 1.00 0.24 H new ATOM 0 HG23 VAL A 36 13.008 4.654 -14.067 1.00 0.24 H new ATOM 582 N GLY A 37 9.641 3.414 -16.311 1.00 0.19 N ATOM 583 CA GLY A 37 8.828 2.507 -17.193 1.00 0.20 C ATOM 584 C GLY A 37 9.810 1.974 -18.247 1.00 0.16 C ATOM 585 O GLY A 37 10.569 1.053 -18.004 1.00 0.21 O ATOM 0 H GLY A 37 10.369 2.915 -15.799 1.00 0.19 H new ATOM 0 HA2 GLY A 37 8.388 1.692 -16.619 1.00 0.20 H new ATOM 0 HA3 GLY A 37 8.005 3.048 -17.661 1.00 0.20 H new ATOM 589 N ASP A 38 9.780 2.596 -19.391 1.00 0.18 N ATOM 590 CA ASP A 38 10.677 2.203 -20.516 1.00 0.18 C ATOM 591 C ASP A 38 12.020 2.945 -20.496 1.00 0.17 C ATOM 592 O ASP A 38 12.173 4.084 -20.092 1.00 0.26 O ATOM 593 CB ASP A 38 9.969 2.498 -21.873 1.00 0.19 C ATOM 594 CG ASP A 38 9.320 1.260 -22.461 1.00 0.81 C ATOM 595 OD1 ASP A 38 8.815 0.475 -21.688 1.00 1.24 O ATOM 596 OD2 ASP A 38 9.384 1.185 -23.671 1.00 1.74 O ATOM 0 H ASP A 38 9.158 3.377 -19.599 1.00 0.18 H new ATOM 0 HA ASP A 38 10.882 1.139 -20.399 1.00 0.18 H new ATOM 0 HB2 ASP A 38 9.212 3.268 -21.726 1.00 0.19 H new ATOM 0 HB3 ASP A 38 10.696 2.896 -22.581 1.00 0.19 H new ATOM 601 N ILE A 39 12.983 2.226 -20.969 1.00 0.18 N ATOM 602 CA ILE A 39 14.342 2.812 -21.012 1.00 0.14 C ATOM 603 C ILE A 39 14.526 3.713 -22.256 1.00 0.08 C ATOM 604 O ILE A 39 14.434 3.325 -23.403 1.00 0.10 O ATOM 605 CB ILE A 39 15.249 1.598 -20.933 1.00 0.11 C ATOM 606 CG1 ILE A 39 16.705 2.013 -20.874 1.00 0.11 C ATOM 607 CG2 ILE A 39 15.037 0.716 -22.136 1.00 0.08 C ATOM 608 CD1 ILE A 39 17.459 0.788 -20.391 1.00 0.09 C ATOM 0 H ILE A 39 12.895 1.273 -21.323 1.00 0.18 H new ATOM 0 HA ILE A 39 14.568 3.502 -20.199 1.00 0.14 H new ATOM 0 HB ILE A 39 15.000 1.051 -20.024 1.00 0.11 H new ATOM 0 HG12 ILE A 39 17.062 2.332 -21.853 1.00 0.11 H new ATOM 0 HG13 ILE A 39 16.846 2.853 -20.194 1.00 0.11 H new ATOM 0 HG21 ILE A 39 15.692 -0.153 -22.070 1.00 0.08 H new ATOM 0 HG22 ILE A 39 13.999 0.386 -22.167 1.00 0.08 H new ATOM 0 HG23 ILE A 39 15.266 1.276 -23.043 1.00 0.08 H new ATOM 0 HD11 ILE A 39 18.522 1.018 -20.325 1.00 0.09 H new ATOM 0 HD12 ILE A 39 17.089 0.497 -19.408 1.00 0.09 H new ATOM 0 HD13 ILE A 39 17.308 -0.032 -21.093 1.00 0.09 H new ATOM 620 N ASN A 40 14.771 4.941 -21.917 1.00 0.12 N ATOM 621 CA ASN A 40 14.998 6.079 -22.866 1.00 0.22 C ATOM 622 C ASN A 40 16.306 6.775 -22.417 1.00 0.35 C ATOM 623 O ASN A 40 16.476 7.976 -22.472 1.00 0.48 O ATOM 624 CB ASN A 40 13.741 6.963 -22.729 1.00 0.30 C ATOM 625 CG ASN A 40 13.399 7.107 -21.234 1.00 0.44 C ATOM 626 OD1 ASN A 40 14.244 7.250 -20.378 1.00 0.79 O ATOM 627 ND2 ASN A 40 12.177 7.078 -20.821 1.00 0.67 N ATOM 0 H ASN A 40 14.829 5.229 -20.940 1.00 0.12 H new ATOM 0 HA ASN A 40 15.124 5.806 -23.914 1.00 0.22 H new ATOM 0 HB2 ASN A 40 13.918 7.943 -23.172 1.00 0.30 H new ATOM 0 HB3 ASN A 40 12.905 6.516 -23.267 1.00 0.30 H new ATOM 0 HD21 ASN A 40 11.972 7.173 -19.826 1.00 0.67 H new ATOM 0 HD22 ASN A 40 11.415 6.960 -21.489 1.00 0.67 H new ATOM 634 N THR A 41 17.188 5.920 -21.990 1.00 0.30 N ATOM 635 CA THR A 41 18.547 6.308 -21.468 1.00 0.39 C ATOM 636 C THR A 41 19.703 5.612 -22.203 1.00 0.45 C ATOM 637 O THR A 41 19.467 4.853 -23.120 1.00 0.41 O ATOM 638 CB THR A 41 18.593 5.909 -20.004 1.00 0.41 C ATOM 639 OG1 THR A 41 18.540 4.493 -20.160 1.00 0.28 O ATOM 640 CG2 THR A 41 17.251 6.076 -19.274 1.00 0.39 C ATOM 0 H THR A 41 17.022 4.914 -21.977 1.00 0.30 H new ATOM 0 HA THR A 41 18.678 7.379 -21.622 1.00 0.39 H new ATOM 0 HB THR A 41 19.396 6.440 -19.493 1.00 0.41 H new ATOM 0 HG1 THR A 41 19.435 4.116 -20.031 1.00 0.28 H new ATOM 0 HG21 THR A 41 17.362 5.771 -18.233 1.00 0.39 H new ATOM 0 HG22 THR A 41 16.942 7.120 -19.315 1.00 0.39 H new ATOM 0 HG23 THR A 41 16.495 5.455 -19.755 1.00 0.39 H new ATOM 648 N GLU A 42 20.921 5.851 -21.794 1.00 0.59 N ATOM 649 CA GLU A 42 22.103 5.196 -22.448 1.00 0.69 C ATOM 650 C GLU A 42 22.814 4.121 -21.640 1.00 0.76 C ATOM 651 O GLU A 42 22.523 3.891 -20.482 1.00 0.77 O ATOM 652 CB GLU A 42 23.094 6.277 -22.795 1.00 0.76 C ATOM 653 CG GLU A 42 22.360 7.012 -23.861 1.00 1.54 C ATOM 654 CD GLU A 42 23.165 8.162 -24.419 1.00 1.67 C ATOM 655 OE1 GLU A 42 23.556 8.995 -23.619 1.00 1.98 O ATOM 656 OE2 GLU A 42 23.334 8.128 -25.623 1.00 2.38 O ATOM 0 H GLU A 42 21.155 6.479 -21.025 1.00 0.59 H new ATOM 0 HA GLU A 42 21.705 4.670 -23.316 1.00 0.69 H new ATOM 0 HB2 GLU A 42 23.325 6.913 -21.941 1.00 0.76 H new ATOM 0 HB3 GLU A 42 24.039 5.869 -23.153 1.00 0.76 H new ATOM 0 HG2 GLU A 42 22.107 6.323 -24.667 1.00 1.54 H new ATOM 0 HG3 GLU A 42 21.420 7.390 -23.458 1.00 1.54 H new ATOM 663 N ARG A 43 23.720 3.552 -22.387 1.00 0.80 N ATOM 664 CA ARG A 43 24.647 2.434 -21.986 1.00 0.79 C ATOM 665 C ARG A 43 26.124 2.954 -21.631 1.00 0.93 C ATOM 666 O ARG A 43 27.047 2.808 -22.415 1.00 0.88 O ATOM 667 CB ARG A 43 24.476 1.508 -23.215 1.00 0.77 C ATOM 668 CG ARG A 43 24.821 0.091 -22.829 1.00 0.74 C ATOM 669 CD ARG A 43 24.263 -0.881 -23.881 1.00 0.67 C ATOM 670 NE ARG A 43 24.465 -2.291 -23.372 1.00 0.64 N ATOM 671 CZ ARG A 43 25.075 -3.205 -24.022 1.00 0.95 C ATOM 672 NH1 ARG A 43 26.195 -2.932 -24.541 1.00 2.26 N ATOM 673 NH2 ARG A 43 24.511 -4.337 -24.102 1.00 0.57 N ATOM 0 H ARG A 43 23.870 3.844 -23.353 1.00 0.80 H new ATOM 0 HA ARG A 43 24.431 1.914 -21.053 1.00 0.79 H new ATOM 0 HB2 ARG A 43 23.450 1.557 -23.581 1.00 0.77 H new ATOM 0 HB3 ARG A 43 25.121 1.842 -24.028 1.00 0.77 H new ATOM 0 HG2 ARG A 43 25.902 -0.022 -22.752 1.00 0.74 H new ATOM 0 HG3 ARG A 43 24.405 -0.141 -21.848 1.00 0.74 H new ATOM 0 HD2 ARG A 43 23.205 -0.687 -24.055 1.00 0.67 H new ATOM 0 HD3 ARG A 43 24.773 -0.744 -24.834 1.00 0.67 H new ATOM 0 HE ARG A 43 24.091 -2.526 -22.453 1.00 0.64 H new ATOM 0 HH11 ARG A 43 26.592 -1.998 -24.436 1.00 2.26 H new ATOM 0 HH12 ARG A 43 26.702 -3.645 -25.065 1.00 2.26 H new ATOM 0 HH21 ARG A 43 23.606 -4.488 -23.657 1.00 0.57 H new ATOM 0 HH22 ARG A 43 24.962 -5.097 -24.612 1.00 0.57 H new ATOM 687 N PRO A 44 26.295 3.499 -20.432 1.00 1.18 N ATOM 688 CA PRO A 44 27.535 4.109 -19.811 1.00 1.48 C ATOM 689 C PRO A 44 29.021 4.018 -20.208 1.00 1.83 C ATOM 690 O PRO A 44 29.494 3.211 -20.985 1.00 1.88 O ATOM 691 CB PRO A 44 27.350 3.736 -18.299 1.00 1.41 C ATOM 692 CG PRO A 44 25.848 4.142 -18.179 1.00 1.45 C ATOM 693 CD PRO A 44 25.199 3.536 -19.443 1.00 1.24 C ATOM 0 HA PRO A 44 27.495 5.112 -20.236 1.00 1.48 H new ATOM 0 HB2 PRO A 44 27.526 2.680 -18.093 1.00 1.41 H new ATOM 0 HB3 PRO A 44 28.002 4.303 -17.635 1.00 1.41 H new ATOM 0 HG2 PRO A 44 25.398 3.745 -17.269 1.00 1.45 H new ATOM 0 HG3 PRO A 44 25.728 5.225 -18.148 1.00 1.45 H new ATOM 0 HD2 PRO A 44 24.804 2.539 -19.249 1.00 1.24 H new ATOM 0 HD3 PRO A 44 24.366 4.145 -19.794 1.00 1.24 H new ATOM 701 N GLY A 45 29.705 4.948 -19.580 1.00 2.24 N ATOM 702 CA GLY A 45 31.189 5.151 -19.726 1.00 2.73 C ATOM 703 C GLY A 45 31.862 4.904 -18.369 1.00 3.05 C ATOM 704 O GLY A 45 32.179 3.779 -18.085 1.00 2.95 O ATOM 0 H GLY A 45 29.271 5.610 -18.937 1.00 2.24 H new ATOM 0 HA2 GLY A 45 31.591 4.469 -20.475 1.00 2.73 H new ATOM 0 HA3 GLY A 45 31.399 6.163 -20.072 1.00 2.73 H new ATOM 708 N MET A 46 32.044 5.916 -17.562 1.00 3.45 N ATOM 709 CA MET A 46 32.696 5.804 -16.198 1.00 3.84 C ATOM 710 C MET A 46 32.892 4.433 -15.452 1.00 3.48 C ATOM 711 O MET A 46 33.860 4.280 -14.741 1.00 4.16 O ATOM 712 CB MET A 46 31.924 6.768 -15.259 1.00 4.20 C ATOM 713 CG MET A 46 30.472 6.304 -15.096 1.00 3.71 C ATOM 714 SD MET A 46 29.428 7.325 -14.032 1.00 4.75 S ATOM 715 CE MET A 46 28.797 8.434 -15.314 1.00 5.10 C ATOM 0 H MET A 46 31.757 6.866 -17.795 1.00 3.45 H new ATOM 0 HA MET A 46 33.736 6.032 -16.431 1.00 3.84 H new ATOM 0 HB2 MET A 46 32.412 6.806 -14.285 1.00 4.20 H new ATOM 0 HB3 MET A 46 31.946 7.779 -15.667 1.00 4.20 H new ATOM 0 HG2 MET A 46 30.014 6.257 -16.084 1.00 3.71 H new ATOM 0 HG3 MET A 46 30.478 5.289 -14.699 1.00 3.71 H new ATOM 0 HE1 MET A 46 28.118 9.160 -14.866 1.00 5.10 H new ATOM 0 HE2 MET A 46 29.629 8.958 -15.784 1.00 5.10 H new ATOM 0 HE3 MET A 46 28.262 7.854 -16.066 1.00 5.10 H new ATOM 725 N LEU A 47 32.012 3.482 -15.598 1.00 2.51 N ATOM 726 CA LEU A 47 32.158 2.152 -14.889 1.00 2.13 C ATOM 727 C LEU A 47 32.370 0.980 -15.849 1.00 1.68 C ATOM 728 O LEU A 47 32.644 -0.107 -15.378 1.00 2.07 O ATOM 729 CB LEU A 47 30.860 1.892 -14.039 1.00 1.83 C ATOM 730 CG LEU A 47 30.964 2.222 -12.521 1.00 2.62 C ATOM 731 CD1 LEU A 47 31.724 1.096 -11.766 1.00 1.80 C ATOM 732 CD2 LEU A 47 31.688 3.555 -12.303 1.00 3.39 C ATOM 0 H LEU A 47 31.181 3.559 -16.185 1.00 2.51 H new ATOM 0 HA LEU A 47 33.046 2.212 -14.259 1.00 2.13 H new ATOM 0 HB2 LEU A 47 30.047 2.480 -14.464 1.00 1.83 H new ATOM 0 HB3 LEU A 47 30.584 0.843 -14.145 1.00 1.83 H new ATOM 0 HG LEU A 47 29.950 2.298 -12.128 1.00 2.62 H new ATOM 0 HD11 LEU A 47 31.786 1.346 -10.707 1.00 1.80 H new ATOM 0 HD12 LEU A 47 31.190 0.153 -11.886 1.00 1.80 H new ATOM 0 HD13 LEU A 47 32.730 0.998 -12.175 1.00 1.80 H new ATOM 0 HD21 LEU A 47 31.749 3.765 -11.235 1.00 3.39 H new ATOM 0 HD22 LEU A 47 32.694 3.495 -12.719 1.00 3.39 H new ATOM 0 HD23 LEU A 47 31.137 4.354 -12.799 1.00 3.39 H new ATOM 744 N ASP A 48 32.247 1.255 -17.120 1.00 1.83 N ATOM 745 CA ASP A 48 32.381 0.276 -18.234 1.00 2.11 C ATOM 746 C ASP A 48 31.260 -0.759 -18.136 1.00 1.97 C ATOM 747 O ASP A 48 30.632 -1.032 -19.130 1.00 2.65 O ATOM 748 CB ASP A 48 33.804 -0.370 -18.178 1.00 2.75 C ATOM 749 CG ASP A 48 34.807 0.411 -19.050 1.00 3.72 C ATOM 750 OD1 ASP A 48 34.429 1.433 -19.604 1.00 3.74 O ATOM 751 OD2 ASP A 48 35.910 -0.091 -19.105 1.00 4.69 O ATOM 0 H ASP A 48 32.042 2.198 -17.451 1.00 1.83 H new ATOM 0 HA ASP A 48 32.282 0.769 -19.201 1.00 2.11 H new ATOM 0 HB2 ASP A 48 34.156 -0.392 -17.146 1.00 2.75 H new ATOM 0 HB3 ASP A 48 33.750 -1.404 -18.519 1.00 2.75 H new ATOM 756 N PHE A 49 31.008 -1.346 -17.000 1.00 1.37 N ATOM 757 CA PHE A 49 29.911 -2.343 -16.877 1.00 1.29 C ATOM 758 C PHE A 49 28.580 -1.885 -16.196 1.00 1.04 C ATOM 759 O PHE A 49 27.532 -1.953 -16.792 1.00 1.35 O ATOM 760 CB PHE A 49 30.541 -3.587 -16.142 1.00 1.14 C ATOM 761 CG PHE A 49 30.495 -3.302 -14.653 1.00 0.74 C ATOM 762 CD1 PHE A 49 31.491 -2.593 -14.013 1.00 1.11 C ATOM 763 CD2 PHE A 49 29.376 -3.711 -13.956 1.00 0.91 C ATOM 764 CE1 PHE A 49 31.354 -2.291 -12.677 1.00 0.78 C ATOM 765 CE2 PHE A 49 29.246 -3.410 -12.637 1.00 1.01 C ATOM 766 CZ PHE A 49 30.226 -2.700 -11.990 1.00 0.41 C ATOM 0 H PHE A 49 31.525 -1.173 -16.138 1.00 1.37 H new ATOM 0 HA PHE A 49 29.559 -2.557 -17.886 1.00 1.29 H new ATOM 0 HB2 PHE A 49 29.985 -4.494 -16.377 1.00 1.14 H new ATOM 0 HB3 PHE A 49 31.568 -3.748 -16.471 1.00 1.14 H new ATOM 0 HD1 PHE A 49 32.370 -2.278 -14.555 1.00 1.11 H new ATOM 0 HD2 PHE A 49 28.602 -4.271 -14.460 1.00 0.91 H new ATOM 0 HE1 PHE A 49 32.127 -1.735 -12.166 1.00 0.78 H new ATOM 0 HE2 PHE A 49 28.368 -3.731 -12.096 1.00 1.01 H new ATOM 0 HZ PHE A 49 30.116 -2.460 -10.943 1.00 0.41 H new ATOM 776 N LYS A 50 28.696 -1.410 -14.980 1.00 0.57 N ATOM 777 CA LYS A 50 27.597 -0.943 -14.079 1.00 0.47 C ATOM 778 C LYS A 50 26.456 -0.386 -14.863 1.00 0.62 C ATOM 779 O LYS A 50 25.412 -0.979 -15.022 1.00 1.60 O ATOM 780 CB LYS A 50 28.207 0.115 -13.051 1.00 0.22 C ATOM 781 CG LYS A 50 27.237 0.257 -11.842 1.00 0.67 C ATOM 782 CD LYS A 50 27.601 1.484 -10.899 1.00 0.63 C ATOM 783 CE LYS A 50 28.723 1.215 -9.822 1.00 1.54 C ATOM 784 NZ LYS A 50 28.110 1.017 -8.444 1.00 2.14 N ATOM 0 H LYS A 50 29.610 -1.321 -14.536 1.00 0.57 H new ATOM 0 HA LYS A 50 27.188 -1.783 -13.518 1.00 0.47 H new ATOM 0 HB2 LYS A 50 29.189 -0.213 -12.710 1.00 0.22 H new ATOM 0 HB3 LYS A 50 28.345 1.080 -13.540 1.00 0.22 H new ATOM 0 HG2 LYS A 50 26.219 0.379 -12.212 1.00 0.67 H new ATOM 0 HG3 LYS A 50 27.256 -0.663 -11.257 1.00 0.67 H new ATOM 0 HD2 LYS A 50 27.918 2.318 -11.526 1.00 0.63 H new ATOM 0 HD3 LYS A 50 26.696 1.801 -10.381 1.00 0.63 H new ATOM 0 HE2 LYS A 50 29.297 0.331 -10.101 1.00 1.54 H new ATOM 0 HE3 LYS A 50 29.420 2.053 -9.798 1.00 1.54 H new ATOM 0 HZ1 LYS A 50 28.700 1.491 -7.730 1.00 2.14 H new ATOM 0 HZ2 LYS A 50 27.153 1.424 -8.428 1.00 2.14 H new ATOM 0 HZ3 LYS A 50 28.058 0.001 -8.230 1.00 2.14 H new ATOM 798 N GLY A 51 26.765 0.771 -15.334 1.00 0.39 N ATOM 799 CA GLY A 51 25.887 1.591 -16.150 1.00 0.56 C ATOM 800 C GLY A 51 25.067 0.760 -17.119 1.00 0.54 C ATOM 801 O GLY A 51 23.854 0.832 -17.167 1.00 0.54 O ATOM 0 H GLY A 51 27.672 1.206 -15.164 1.00 0.39 H new ATOM 0 HA2 GLY A 51 25.218 2.159 -15.504 1.00 0.56 H new ATOM 0 HA3 GLY A 51 26.482 2.315 -16.707 1.00 0.56 H new ATOM 805 N LYS A 52 25.830 -0.021 -17.842 1.00 0.56 N ATOM 806 CA LYS A 52 25.222 -0.918 -18.853 1.00 0.52 C ATOM 807 C LYS A 52 24.404 -1.926 -18.054 1.00 0.40 C ATOM 808 O LYS A 52 23.219 -1.919 -18.262 1.00 0.34 O ATOM 809 CB LYS A 52 26.356 -1.592 -19.682 1.00 0.68 C ATOM 810 CG LYS A 52 27.049 -0.564 -20.630 1.00 1.21 C ATOM 811 CD LYS A 52 28.187 0.243 -19.962 1.00 2.04 C ATOM 812 CE LYS A 52 29.415 0.307 -20.907 1.00 2.69 C ATOM 813 NZ LYS A 52 29.116 1.091 -22.134 1.00 3.24 N ATOM 0 H LYS A 52 26.846 -0.071 -17.771 1.00 0.56 H new ATOM 0 HA LYS A 52 24.584 -0.400 -19.568 1.00 0.52 H new ATOM 0 HB2 LYS A 52 27.095 -2.025 -19.008 1.00 0.68 H new ATOM 0 HB3 LYS A 52 25.943 -2.412 -20.270 1.00 0.68 H new ATOM 0 HG2 LYS A 52 27.452 -1.095 -21.492 1.00 1.21 H new ATOM 0 HG3 LYS A 52 26.298 0.131 -21.007 1.00 1.21 H new ATOM 0 HD2 LYS A 52 27.842 1.251 -19.731 1.00 2.04 H new ATOM 0 HD3 LYS A 52 28.468 -0.222 -19.017 1.00 2.04 H new ATOM 0 HE2 LYS A 52 30.257 0.758 -20.382 1.00 2.69 H new ATOM 0 HE3 LYS A 52 29.716 -0.703 -21.184 1.00 2.69 H new ATOM 0 HZ1 LYS A 52 29.462 0.575 -22.968 1.00 3.24 H new ATOM 0 HZ2 LYS A 52 28.089 1.231 -22.215 1.00 3.24 H new ATOM 0 HZ3 LYS A 52 29.588 2.016 -22.079 1.00 3.24 H new ATOM 827 N ALA A 53 25.006 -2.729 -17.201 1.00 0.40 N ATOM 828 CA ALA A 53 24.310 -3.758 -16.337 1.00 0.33 C ATOM 829 C ALA A 53 22.899 -3.284 -16.100 1.00 0.29 C ATOM 830 O ALA A 53 21.930 -3.908 -16.464 1.00 0.28 O ATOM 831 CB ALA A 53 25.029 -3.927 -14.910 1.00 0.27 C ATOM 0 H ALA A 53 26.016 -2.712 -17.059 1.00 0.40 H new ATOM 0 HA ALA A 53 24.341 -4.719 -16.850 1.00 0.33 H new ATOM 0 HB1 ALA A 53 24.498 -4.675 -14.321 1.00 0.27 H new ATOM 0 HB2 ALA A 53 26.060 -4.247 -15.058 1.00 0.27 H new ATOM 0 HB3 ALA A 53 25.017 -2.974 -14.382 1.00 0.27 H new ATOM 837 N LYS A 54 22.880 -2.135 -15.497 1.00 0.31 N ATOM 838 CA LYS A 54 21.600 -1.491 -15.167 1.00 0.31 C ATOM 839 C LYS A 54 20.682 -1.393 -16.406 1.00 0.20 C ATOM 840 O LYS A 54 19.620 -1.976 -16.486 1.00 0.20 O ATOM 841 CB LYS A 54 21.982 -0.150 -14.652 1.00 0.38 C ATOM 842 CG LYS A 54 22.949 -0.179 -13.472 1.00 1.30 C ATOM 843 CD LYS A 54 23.751 1.085 -13.550 1.00 0.67 C ATOM 844 CE LYS A 54 22.873 2.361 -13.834 1.00 0.87 C ATOM 845 NZ LYS A 54 23.565 3.648 -13.496 1.00 1.30 N ATOM 0 H LYS A 54 23.711 -1.613 -15.218 1.00 0.31 H new ATOM 0 HA LYS A 54 21.026 -2.059 -14.435 1.00 0.31 H new ATOM 0 HB2 LYS A 54 22.434 0.422 -15.463 1.00 0.38 H new ATOM 0 HB3 LYS A 54 21.079 0.381 -14.353 1.00 0.38 H new ATOM 0 HG2 LYS A 54 22.408 -0.238 -12.528 1.00 1.30 H new ATOM 0 HG3 LYS A 54 23.597 -1.054 -13.523 1.00 1.30 H new ATOM 0 HD2 LYS A 54 24.290 1.224 -12.613 1.00 0.67 H new ATOM 0 HD3 LYS A 54 24.499 0.985 -14.336 1.00 0.67 H new ATOM 0 HE2 LYS A 54 22.593 2.373 -14.887 1.00 0.87 H new ATOM 0 HE3 LYS A 54 21.949 2.292 -13.260 1.00 0.87 H new ATOM 0 HZ1 LYS A 54 22.861 4.409 -13.411 1.00 1.30 H new ATOM 0 HZ2 LYS A 54 24.072 3.543 -12.594 1.00 1.30 H new ATOM 0 HZ3 LYS A 54 24.242 3.886 -14.249 1.00 1.30 H new ATOM 859 N TRP A 55 21.167 -0.620 -17.337 1.00 0.28 N ATOM 860 CA TRP A 55 20.461 -0.362 -18.620 1.00 0.27 C ATOM 861 C TRP A 55 19.944 -1.680 -19.200 1.00 0.24 C ATOM 862 O TRP A 55 18.765 -1.894 -19.374 1.00 0.20 O ATOM 863 CB TRP A 55 21.498 0.319 -19.482 1.00 0.39 C ATOM 864 CG TRP A 55 20.856 1.146 -20.565 1.00 0.34 C ATOM 865 CD1 TRP A 55 20.444 2.409 -20.330 1.00 0.34 C ATOM 866 CD2 TRP A 55 20.628 0.815 -21.855 1.00 0.33 C ATOM 867 NE1 TRP A 55 19.992 2.777 -21.503 1.00 0.32 N ATOM 868 CE2 TRP A 55 20.061 1.898 -22.480 1.00 0.33 C ATOM 869 CE3 TRP A 55 20.851 -0.340 -22.582 1.00 0.36 C ATOM 870 CZ2 TRP A 55 19.724 1.864 -23.806 1.00 0.40 C ATOM 871 CZ3 TRP A 55 20.514 -0.387 -23.921 1.00 0.43 C ATOM 872 CH2 TRP A 55 19.950 0.721 -24.535 1.00 0.45 C ATOM 0 H TRP A 55 22.062 -0.137 -17.255 1.00 0.28 H new ATOM 0 HA TRP A 55 19.575 0.266 -18.527 1.00 0.27 H new ATOM 0 HB2 TRP A 55 22.128 0.956 -18.861 1.00 0.39 H new ATOM 0 HB3 TRP A 55 22.148 -0.431 -19.932 1.00 0.39 H new ATOM 0 HD1 TRP A 55 20.478 2.973 -19.409 1.00 0.34 H new ATOM 0 HE1 TRP A 55 19.602 3.708 -21.653 1.00 0.32 H new ATOM 0 HE3 TRP A 55 21.288 -1.204 -22.104 1.00 0.36 H new ATOM 0 HZ2 TRP A 55 19.283 2.730 -24.277 1.00 0.40 H new ATOM 0 HZ3 TRP A 55 20.690 -1.288 -24.490 1.00 0.43 H new ATOM 0 HH2 TRP A 55 19.689 0.686 -25.582 1.00 0.45 H new ATOM 883 N ASP A 56 20.895 -2.515 -19.461 1.00 0.28 N ATOM 884 CA ASP A 56 20.725 -3.868 -20.020 1.00 0.31 C ATOM 885 C ASP A 56 19.584 -4.557 -19.262 1.00 0.28 C ATOM 886 O ASP A 56 18.546 -4.843 -19.827 1.00 0.30 O ATOM 887 CB ASP A 56 22.188 -4.411 -19.858 1.00 0.40 C ATOM 888 CG ASP A 56 22.989 -4.019 -21.068 1.00 0.87 C ATOM 889 OD1 ASP A 56 22.592 -4.352 -22.172 1.00 0.65 O ATOM 890 OD2 ASP A 56 23.991 -3.382 -20.852 1.00 1.81 O ATOM 0 H ASP A 56 21.874 -2.285 -19.290 1.00 0.28 H new ATOM 0 HA ASP A 56 20.404 -3.998 -21.053 1.00 0.31 H new ATOM 0 HB2 ASP A 56 22.644 -4.003 -18.956 1.00 0.40 H new ATOM 0 HB3 ASP A 56 22.178 -5.495 -19.748 1.00 0.40 H new ATOM 895 N ALA A 57 19.811 -4.775 -17.998 1.00 0.26 N ATOM 896 CA ALA A 57 18.832 -5.426 -17.095 1.00 0.26 C ATOM 897 C ALA A 57 17.442 -4.759 -17.134 1.00 0.22 C ATOM 898 O ALA A 57 16.413 -5.397 -17.103 1.00 0.24 O ATOM 899 CB ALA A 57 19.492 -5.371 -15.739 1.00 0.31 C ATOM 0 H ALA A 57 20.682 -4.513 -17.536 1.00 0.26 H new ATOM 0 HA ALA A 57 18.610 -6.451 -17.393 1.00 0.26 H new ATOM 0 HB1 ALA A 57 18.839 -5.832 -14.998 1.00 0.31 H new ATOM 0 HB2 ALA A 57 20.439 -5.909 -15.773 1.00 0.31 H new ATOM 0 HB3 ALA A 57 19.675 -4.332 -15.465 1.00 0.31 H new ATOM 905 N TRP A 58 17.418 -3.460 -17.205 1.00 0.20 N ATOM 906 CA TRP A 58 16.087 -2.743 -17.250 1.00 0.14 C ATOM 907 C TRP A 58 15.439 -2.848 -18.647 1.00 0.11 C ATOM 908 O TRP A 58 14.255 -3.087 -18.794 1.00 0.12 O ATOM 909 CB TRP A 58 16.334 -1.274 -16.864 1.00 0.09 C ATOM 910 CG TRP A 58 15.109 -0.383 -17.089 1.00 0.08 C ATOM 911 CD1 TRP A 58 13.808 -0.788 -17.139 1.00 0.08 C ATOM 912 CD2 TRP A 58 15.178 0.949 -17.289 1.00 0.06 C ATOM 913 NE1 TRP A 58 13.176 0.353 -17.380 1.00 0.06 N ATOM 914 CE2 TRP A 58 13.913 1.441 -17.484 1.00 0.05 C ATOM 915 CE3 TRP A 58 16.253 1.814 -17.316 1.00 0.06 C ATOM 916 CZ2 TRP A 58 13.704 2.780 -17.707 1.00 0.05 C ATOM 917 CZ3 TRP A 58 16.042 3.158 -17.537 1.00 0.06 C ATOM 918 CH2 TRP A 58 14.780 3.641 -17.733 1.00 0.06 C ATOM 0 H TRP A 58 18.241 -2.859 -17.234 1.00 0.20 H new ATOM 0 HA TRP A 58 15.391 -3.205 -16.550 1.00 0.14 H new ATOM 0 HB2 TRP A 58 16.625 -1.224 -15.815 1.00 0.09 H new ATOM 0 HB3 TRP A 58 17.170 -0.887 -17.446 1.00 0.09 H new ATOM 0 HD1 TRP A 58 13.399 -1.780 -17.015 1.00 0.08 H new ATOM 0 HE1 TRP A 58 12.162 0.387 -17.481 1.00 0.06 H new ATOM 0 HE3 TRP A 58 17.255 1.440 -17.165 1.00 0.06 H new ATOM 0 HZ2 TRP A 58 12.703 3.156 -17.861 1.00 0.05 H new ATOM 0 HZ3 TRP A 58 16.883 3.836 -17.555 1.00 0.06 H new ATOM 0 HH2 TRP A 58 14.625 4.695 -17.908 1.00 0.06 H new ATOM 929 N ASN A 59 16.225 -2.676 -19.657 1.00 0.09 N ATOM 930 CA ASN A 59 15.767 -2.742 -21.067 1.00 0.01 C ATOM 931 C ASN A 59 15.043 -4.080 -21.326 1.00 0.11 C ATOM 932 O ASN A 59 14.292 -4.192 -22.276 1.00 0.14 O ATOM 933 CB ASN A 59 17.026 -2.579 -21.913 1.00 0.17 C ATOM 934 CG ASN A 59 16.684 -2.369 -23.378 1.00 0.37 C ATOM 935 OD1 ASN A 59 15.953 -1.502 -23.830 1.00 0.73 O ATOM 936 ND2 ASN A 59 17.257 -3.210 -24.154 1.00 0.16 N ATOM 0 H ASN A 59 17.222 -2.482 -19.560 1.00 0.09 H new ATOM 0 HA ASN A 59 15.045 -1.964 -21.315 1.00 0.01 H new ATOM 0 HB2 ASN A 59 17.605 -1.731 -21.547 1.00 0.17 H new ATOM 0 HB3 ASN A 59 17.655 -3.463 -21.807 1.00 0.17 H new ATOM 0 HD21 ASN A 59 17.105 -3.160 -25.161 1.00 0.16 H new ATOM 0 HD22 ASN A 59 17.866 -3.930 -23.765 1.00 0.16 H new ATOM 943 N GLU A 60 15.309 -5.018 -20.452 1.00 0.19 N ATOM 944 CA GLU A 60 14.703 -6.388 -20.534 1.00 0.31 C ATOM 945 C GLU A 60 13.188 -6.329 -20.175 1.00 0.26 C ATOM 946 O GLU A 60 12.336 -7.010 -20.712 1.00 0.33 O ATOM 947 CB GLU A 60 15.474 -7.317 -19.529 1.00 0.36 C ATOM 948 CG GLU A 60 16.957 -7.672 -19.955 1.00 2.15 C ATOM 949 CD GLU A 60 17.765 -8.446 -18.863 1.00 2.47 C ATOM 950 OE1 GLU A 60 17.144 -9.073 -18.015 1.00 2.54 O ATOM 951 OE2 GLU A 60 18.987 -8.376 -18.947 1.00 3.08 O ATOM 0 H GLU A 60 15.940 -4.889 -19.661 1.00 0.19 H new ATOM 0 HA GLU A 60 14.788 -6.782 -21.547 1.00 0.31 H new ATOM 0 HB2 GLU A 60 15.498 -6.832 -18.553 1.00 0.36 H new ATOM 0 HB3 GLU A 60 14.913 -8.244 -19.410 1.00 0.36 H new ATOM 0 HG2 GLU A 60 16.929 -8.272 -20.865 1.00 2.15 H new ATOM 0 HG3 GLU A 60 17.485 -6.750 -20.197 1.00 2.15 H new ATOM 958 N LEU A 61 12.937 -5.468 -19.234 1.00 0.15 N ATOM 959 CA LEU A 61 11.594 -5.175 -18.661 1.00 0.15 C ATOM 960 C LEU A 61 10.725 -4.263 -19.499 1.00 0.30 C ATOM 961 O LEU A 61 9.518 -4.394 -19.456 1.00 0.44 O ATOM 962 CB LEU A 61 11.792 -4.539 -17.313 1.00 0.14 C ATOM 963 CG LEU A 61 12.791 -5.291 -16.462 1.00 0.05 C ATOM 964 CD1 LEU A 61 12.863 -4.583 -15.148 1.00 0.10 C ATOM 965 CD2 LEU A 61 12.393 -6.733 -16.358 1.00 0.04 C ATOM 0 H LEU A 61 13.675 -4.909 -18.805 1.00 0.15 H new ATOM 0 HA LEU A 61 11.066 -6.128 -18.613 1.00 0.15 H new ATOM 0 HB2 LEU A 61 12.132 -3.512 -17.445 1.00 0.14 H new ATOM 0 HB3 LEU A 61 10.836 -4.494 -16.792 1.00 0.14 H new ATOM 0 HG LEU A 61 13.789 -5.302 -16.901 1.00 0.05 H new ATOM 0 HD11 LEU A 61 13.575 -5.093 -14.499 1.00 0.10 H new ATOM 0 HD12 LEU A 61 13.188 -3.555 -15.306 1.00 0.10 H new ATOM 0 HD13 LEU A 61 11.879 -4.585 -14.679 1.00 0.10 H new ATOM 0 HD21 LEU A 61 13.118 -7.267 -15.744 1.00 0.04 H new ATOM 0 HD22 LEU A 61 11.406 -6.806 -15.901 1.00 0.04 H new ATOM 0 HD23 LEU A 61 12.365 -7.176 -17.354 1.00 0.04 H new ATOM 977 N LYS A 62 11.391 -3.376 -20.180 1.00 0.29 N ATOM 978 CA LYS A 62 10.759 -2.377 -21.086 1.00 0.48 C ATOM 979 C LYS A 62 9.477 -3.038 -21.651 1.00 0.94 C ATOM 980 O LYS A 62 9.463 -4.160 -22.126 1.00 2.32 O ATOM 981 CB LYS A 62 11.755 -2.121 -22.119 1.00 0.28 C ATOM 982 CG LYS A 62 11.446 -0.870 -22.870 1.00 0.31 C ATOM 983 CD LYS A 62 12.547 -0.679 -23.929 1.00 0.80 C ATOM 984 CE LYS A 62 12.468 0.731 -24.506 1.00 1.38 C ATOM 985 NZ LYS A 62 13.853 1.131 -24.926 1.00 2.55 N ATOM 0 H LYS A 62 12.407 -3.300 -20.142 1.00 0.29 H new ATOM 0 HA LYS A 62 10.474 -1.438 -20.612 1.00 0.48 H new ATOM 0 HB2 LYS A 62 12.742 -2.040 -21.664 1.00 0.28 H new ATOM 0 HB3 LYS A 62 11.791 -2.963 -22.810 1.00 0.28 H new ATOM 0 HG2 LYS A 62 10.467 -0.940 -23.344 1.00 0.31 H new ATOM 0 HG3 LYS A 62 11.413 -0.016 -22.194 1.00 0.31 H new ATOM 0 HD2 LYS A 62 13.527 -0.845 -23.482 1.00 0.80 H new ATOM 0 HD3 LYS A 62 12.431 -1.415 -24.725 1.00 0.80 H new ATOM 0 HE2 LYS A 62 11.787 0.758 -25.357 1.00 1.38 H new ATOM 0 HE3 LYS A 62 12.078 1.427 -23.763 1.00 1.38 H new ATOM 0 HZ1 LYS A 62 14.156 1.961 -24.377 1.00 2.55 H new ATOM 0 HZ2 LYS A 62 14.509 0.343 -24.753 1.00 2.55 H new ATOM 0 HZ3 LYS A 62 13.854 1.366 -25.939 1.00 2.55 H new ATOM 999 N GLY A 63 8.460 -2.264 -21.586 1.00 0.43 N ATOM 1000 CA GLY A 63 7.107 -2.697 -22.043 1.00 0.34 C ATOM 1001 C GLY A 63 6.353 -3.286 -20.826 1.00 0.28 C ATOM 1002 O GLY A 63 5.287 -3.847 -20.992 1.00 0.24 O ATOM 0 H GLY A 63 8.495 -1.311 -21.224 1.00 0.43 H new ATOM 0 HA2 GLY A 63 6.557 -1.852 -22.459 1.00 0.34 H new ATOM 0 HA3 GLY A 63 7.193 -3.442 -22.834 1.00 0.34 H new ATOM 1006 N THR A 64 6.895 -3.155 -19.639 1.00 0.31 N ATOM 1007 CA THR A 64 6.191 -3.715 -18.422 1.00 0.34 C ATOM 1008 C THR A 64 5.395 -2.648 -17.680 1.00 0.33 C ATOM 1009 O THR A 64 5.635 -1.450 -17.764 1.00 0.37 O ATOM 1010 CB THR A 64 7.238 -4.345 -17.409 1.00 0.27 C ATOM 1011 OG1 THR A 64 7.240 -5.732 -17.692 1.00 0.41 O ATOM 1012 CG2 THR A 64 6.874 -4.374 -15.890 1.00 0.39 C ATOM 0 H THR A 64 7.784 -2.691 -19.452 1.00 0.31 H new ATOM 0 HA THR A 64 5.506 -4.480 -18.787 1.00 0.34 H new ATOM 0 HB THR A 64 8.135 -3.740 -17.544 1.00 0.27 H new ATOM 0 HG1 THR A 64 7.873 -6.186 -17.097 1.00 0.41 H new ATOM 0 HG21 THR A 64 7.688 -4.834 -15.330 1.00 0.39 H new ATOM 0 HG22 THR A 64 6.718 -3.356 -15.534 1.00 0.39 H new ATOM 0 HG23 THR A 64 5.962 -4.953 -15.745 1.00 0.39 H new ATOM 1020 N SER A 65 4.447 -3.156 -16.935 1.00 0.40 N ATOM 1021 CA SER A 65 3.572 -2.278 -16.126 1.00 0.34 C ATOM 1022 C SER A 65 4.318 -2.193 -14.811 1.00 0.22 C ATOM 1023 O SER A 65 4.524 -3.132 -14.067 1.00 0.47 O ATOM 1024 CB SER A 65 2.216 -2.888 -15.876 1.00 0.44 C ATOM 1025 OG SER A 65 2.403 -4.308 -15.855 1.00 0.35 O ATOM 0 H SER A 65 4.246 -4.153 -16.857 1.00 0.40 H new ATOM 0 HA SER A 65 3.385 -1.324 -16.620 1.00 0.34 H new ATOM 0 HB2 SER A 65 1.802 -2.538 -14.930 1.00 0.44 H new ATOM 0 HB3 SER A 65 1.512 -2.601 -16.658 1.00 0.44 H new ATOM 0 HG SER A 65 2.264 -4.643 -14.945 1.00 0.35 H new ATOM 1031 N LYS A 66 4.706 -0.982 -14.600 1.00 0.23 N ATOM 1032 CA LYS A 66 5.486 -0.561 -13.399 1.00 0.39 C ATOM 1033 C LYS A 66 5.244 -1.377 -12.125 1.00 0.43 C ATOM 1034 O LYS A 66 6.122 -1.895 -11.471 1.00 0.80 O ATOM 1035 CB LYS A 66 5.171 0.899 -13.109 1.00 0.55 C ATOM 1036 CG LYS A 66 5.493 1.846 -14.282 1.00 0.33 C ATOM 1037 CD LYS A 66 5.285 3.342 -13.858 1.00 0.56 C ATOM 1038 CE LYS A 66 4.096 3.551 -12.884 1.00 2.07 C ATOM 1039 NZ LYS A 66 4.532 3.160 -11.495 1.00 3.34 N ATOM 0 H LYS A 66 4.507 -0.216 -15.244 1.00 0.23 H new ATOM 0 HA LYS A 66 6.532 -0.732 -13.655 1.00 0.39 H new ATOM 0 HB2 LYS A 66 4.114 0.991 -12.859 1.00 0.55 H new ATOM 0 HB3 LYS A 66 5.735 1.216 -12.232 1.00 0.55 H new ATOM 0 HG2 LYS A 66 6.522 1.694 -14.607 1.00 0.33 H new ATOM 0 HG3 LYS A 66 4.853 1.611 -15.132 1.00 0.33 H new ATOM 0 HD2 LYS A 66 6.198 3.708 -13.388 1.00 0.56 H new ATOM 0 HD3 LYS A 66 5.123 3.945 -14.751 1.00 0.56 H new ATOM 0 HE2 LYS A 66 3.774 4.592 -12.899 1.00 2.07 H new ATOM 0 HE3 LYS A 66 3.243 2.949 -13.195 1.00 2.07 H new ATOM 0 HZ1 LYS A 66 4.036 2.293 -11.207 1.00 3.34 H new ATOM 0 HZ2 LYS A 66 5.558 2.991 -11.488 1.00 3.34 H new ATOM 0 HZ3 LYS A 66 4.303 3.927 -10.831 1.00 3.34 H new ATOM 1053 N GLU A 67 3.997 -1.452 -11.827 1.00 0.13 N ATOM 1054 CA GLU A 67 3.460 -2.162 -10.642 1.00 0.12 C ATOM 1055 C GLU A 67 4.027 -3.566 -10.451 1.00 0.09 C ATOM 1056 O GLU A 67 4.410 -3.985 -9.372 1.00 0.18 O ATOM 1057 CB GLU A 67 1.953 -2.057 -10.877 1.00 0.27 C ATOM 1058 CG GLU A 67 1.529 -0.512 -10.660 1.00 0.55 C ATOM 1059 CD GLU A 67 1.934 0.411 -11.820 1.00 1.83 C ATOM 1060 OE1 GLU A 67 1.853 0.006 -12.969 1.00 2.88 O ATOM 1061 OE2 GLU A 67 2.328 1.509 -11.466 1.00 2.21 O ATOM 0 H GLU A 67 3.270 -1.019 -12.397 1.00 0.13 H new ATOM 0 HA GLU A 67 3.751 -1.731 -9.684 1.00 0.12 H new ATOM 0 HB2 GLU A 67 1.699 -2.385 -11.885 1.00 0.27 H new ATOM 0 HB3 GLU A 67 1.412 -2.703 -10.186 1.00 0.27 H new ATOM 0 HG2 GLU A 67 0.449 -0.457 -10.524 1.00 0.55 H new ATOM 0 HG3 GLU A 67 1.985 -0.146 -9.740 1.00 0.55 H new ATOM 1068 N ASP A 68 4.083 -4.284 -11.526 1.00 0.12 N ATOM 1069 CA ASP A 68 4.619 -5.664 -11.492 1.00 0.16 C ATOM 1070 C ASP A 68 6.080 -5.626 -11.109 1.00 0.17 C ATOM 1071 O ASP A 68 6.570 -6.456 -10.365 1.00 0.32 O ATOM 1072 CB ASP A 68 4.327 -6.196 -12.868 1.00 0.26 C ATOM 1073 CG ASP A 68 2.870 -6.608 -12.833 1.00 0.43 C ATOM 1074 OD1 ASP A 68 2.605 -7.586 -12.148 1.00 0.53 O ATOM 1075 OD2 ASP A 68 2.133 -5.894 -13.489 1.00 1.17 O ATOM 0 H ASP A 68 3.774 -3.968 -12.445 1.00 0.12 H new ATOM 0 HA ASP A 68 4.171 -6.321 -10.746 1.00 0.16 H new ATOM 0 HB2 ASP A 68 4.503 -5.436 -13.630 1.00 0.26 H new ATOM 0 HB3 ASP A 68 4.970 -7.043 -13.108 1.00 0.26 H new ATOM 1080 N ALA A 69 6.735 -4.648 -11.642 1.00 0.12 N ATOM 1081 CA ALA A 69 8.181 -4.492 -11.322 1.00 0.32 C ATOM 1082 C ALA A 69 8.224 -4.291 -9.786 1.00 0.32 C ATOM 1083 O ALA A 69 8.930 -4.974 -9.065 1.00 0.47 O ATOM 1084 CB ALA A 69 8.729 -3.252 -12.047 1.00 0.47 C ATOM 0 H ALA A 69 6.345 -3.953 -12.279 1.00 0.12 H new ATOM 0 HA ALA A 69 8.783 -5.345 -11.635 1.00 0.32 H new ATOM 0 HB1 ALA A 69 9.788 -3.134 -11.816 1.00 0.47 H new ATOM 0 HB2 ALA A 69 8.604 -3.375 -13.123 1.00 0.47 H new ATOM 0 HB3 ALA A 69 8.184 -2.367 -11.717 1.00 0.47 H new ATOM 1090 N MET A 70 7.442 -3.336 -9.350 1.00 0.21 N ATOM 1091 CA MET A 70 7.357 -2.999 -7.895 1.00 0.10 C ATOM 1092 C MET A 70 7.215 -4.284 -7.061 1.00 0.10 C ATOM 1093 O MET A 70 8.057 -4.497 -6.208 1.00 0.13 O ATOM 1094 CB MET A 70 6.161 -1.988 -7.784 1.00 0.48 C ATOM 1095 CG MET A 70 6.470 -0.790 -8.725 1.00 0.97 C ATOM 1096 SD MET A 70 5.130 0.110 -9.535 1.00 2.36 S ATOM 1097 CE MET A 70 5.021 1.505 -8.407 1.00 0.43 C ATOM 0 H MET A 70 6.848 -2.765 -9.952 1.00 0.21 H new ATOM 0 HA MET A 70 8.254 -2.530 -7.490 1.00 0.10 H new ATOM 0 HB2 MET A 70 5.225 -2.469 -8.070 1.00 0.48 H new ATOM 0 HB3 MET A 70 6.042 -1.647 -6.756 1.00 0.48 H new ATOM 0 HG2 MET A 70 7.040 -0.064 -8.145 1.00 0.97 H new ATOM 0 HG3 MET A 70 7.130 -1.160 -9.510 1.00 0.97 H new ATOM 0 HE1 MET A 70 3.981 1.818 -8.315 1.00 0.43 H new ATOM 0 HE2 MET A 70 5.399 1.211 -7.428 1.00 0.43 H new ATOM 0 HE3 MET A 70 5.617 2.332 -8.793 1.00 0.43 H new ATOM 1107 N LYS A 71 6.182 -5.046 -7.356 1.00 0.15 N ATOM 1108 CA LYS A 71 5.862 -6.360 -6.673 1.00 0.29 C ATOM 1109 C LYS A 71 7.120 -7.028 -6.104 1.00 0.40 C ATOM 1110 O LYS A 71 7.169 -7.391 -4.949 1.00 0.62 O ATOM 1111 CB LYS A 71 5.177 -7.307 -7.724 1.00 0.21 C ATOM 1112 CG LYS A 71 3.641 -7.478 -7.570 1.00 0.64 C ATOM 1113 CD LYS A 71 3.098 -8.094 -8.923 1.00 1.55 C ATOM 1114 CE LYS A 71 1.725 -8.751 -8.803 1.00 2.38 C ATOM 1115 NZ LYS A 71 1.220 -9.044 -10.196 1.00 3.45 N ATOM 0 H LYS A 71 5.509 -4.799 -8.082 1.00 0.15 H new ATOM 0 HA LYS A 71 5.194 -6.168 -5.833 1.00 0.29 H new ATOM 0 HB2 LYS A 71 5.384 -6.922 -8.723 1.00 0.21 H new ATOM 0 HB3 LYS A 71 5.643 -8.290 -7.659 1.00 0.21 H new ATOM 0 HG2 LYS A 71 3.410 -8.132 -6.730 1.00 0.64 H new ATOM 0 HG3 LYS A 71 3.166 -6.518 -7.367 1.00 0.64 H new ATOM 0 HD2 LYS A 71 3.047 -7.305 -9.674 1.00 1.55 H new ATOM 0 HD3 LYS A 71 3.812 -8.833 -9.285 1.00 1.55 H new ATOM 0 HE2 LYS A 71 1.793 -9.671 -8.222 1.00 2.38 H new ATOM 0 HE3 LYS A 71 1.033 -8.093 -8.278 1.00 2.38 H new ATOM 0 HZ1 LYS A 71 0.264 -8.651 -10.309 1.00 3.45 H new ATOM 0 HZ2 LYS A 71 1.857 -8.611 -10.895 1.00 3.45 H new ATOM 0 HZ3 LYS A 71 1.191 -10.073 -10.345 1.00 3.45 H new ATOM 1129 N ALA A 72 8.094 -7.157 -6.966 1.00 0.36 N ATOM 1130 CA ALA A 72 9.385 -7.787 -6.573 1.00 0.58 C ATOM 1131 C ALA A 72 10.409 -6.708 -6.189 1.00 0.52 C ATOM 1132 O ALA A 72 11.065 -6.898 -5.189 1.00 0.70 O ATOM 1133 CB ALA A 72 9.849 -8.630 -7.764 1.00 0.73 C ATOM 0 H ALA A 72 8.047 -6.848 -7.937 1.00 0.36 H new ATOM 0 HA ALA A 72 9.271 -8.424 -5.696 1.00 0.58 H new ATOM 0 HB1 ALA A 72 10.796 -9.113 -7.521 1.00 0.73 H new ATOM 0 HB2 ALA A 72 9.100 -9.390 -7.985 1.00 0.73 H new ATOM 0 HB3 ALA A 72 9.982 -7.988 -8.635 1.00 0.73 H new ATOM 1139 N TYR A 73 10.553 -5.632 -6.938 1.00 0.31 N ATOM 1140 CA TYR A 73 11.548 -4.560 -6.574 1.00 0.25 C ATOM 1141 C TYR A 73 11.665 -4.455 -5.069 1.00 0.23 C ATOM 1142 O TYR A 73 12.704 -4.630 -4.473 1.00 0.25 O ATOM 1143 CB TYR A 73 11.108 -3.213 -7.084 1.00 0.18 C ATOM 1144 CG TYR A 73 12.049 -2.149 -6.480 1.00 0.13 C ATOM 1145 CD1 TYR A 73 13.359 -2.069 -6.896 1.00 0.69 C ATOM 1146 CD2 TYR A 73 11.597 -1.248 -5.531 1.00 0.75 C ATOM 1147 CE1 TYR A 73 14.187 -1.107 -6.380 1.00 0.66 C ATOM 1148 CE2 TYR A 73 12.445 -0.282 -5.030 1.00 0.76 C ATOM 1149 CZ TYR A 73 13.741 -0.217 -5.460 1.00 0.10 C ATOM 1150 OH TYR A 73 14.611 0.740 -5.007 1.00 0.16 O ATOM 0 H TYR A 73 10.022 -5.449 -7.789 1.00 0.31 H new ATOM 0 HA TYR A 73 12.501 -4.835 -7.025 1.00 0.25 H new ATOM 0 HB2 TYR A 73 11.149 -3.185 -8.173 1.00 0.18 H new ATOM 0 HB3 TYR A 73 10.075 -3.015 -6.798 1.00 0.18 H new ATOM 0 HD1 TYR A 73 13.735 -2.766 -7.631 1.00 0.69 H new ATOM 0 HD2 TYR A 73 10.577 -1.302 -5.182 1.00 0.75 H new ATOM 0 HE1 TYR A 73 15.213 -1.057 -6.712 1.00 0.66 H new ATOM 0 HE2 TYR A 73 12.084 0.424 -4.297 1.00 0.76 H new ATOM 0 HH TYR A 73 15.223 0.994 -5.729 1.00 0.16 H new ATOM 1160 N ILE A 74 10.493 -4.177 -4.575 1.00 0.18 N ATOM 1161 CA ILE A 74 10.222 -3.991 -3.134 1.00 0.24 C ATOM 1162 C ILE A 74 10.816 -5.167 -2.362 1.00 0.39 C ATOM 1163 O ILE A 74 11.738 -4.984 -1.600 1.00 0.48 O ATOM 1164 CB ILE A 74 8.734 -3.918 -2.981 1.00 0.18 C ATOM 1165 CG1 ILE A 74 8.169 -2.760 -3.783 1.00 0.19 C ATOM 1166 CG2 ILE A 74 8.493 -3.648 -1.518 1.00 0.36 C ATOM 1167 CD1 ILE A 74 6.675 -2.989 -4.003 1.00 0.42 C ATOM 0 H ILE A 74 9.663 -4.066 -5.157 1.00 0.18 H new ATOM 0 HA ILE A 74 10.674 -3.081 -2.740 1.00 0.24 H new ATOM 0 HB ILE A 74 8.260 -4.835 -3.330 1.00 0.18 H new ATOM 0 HG12 ILE A 74 8.332 -1.821 -3.254 1.00 0.19 H new ATOM 0 HG13 ILE A 74 8.683 -2.680 -4.741 1.00 0.19 H new ATOM 0 HG21 ILE A 74 7.421 -3.582 -1.332 1.00 0.36 H new ATOM 0 HG22 ILE A 74 8.915 -4.459 -0.924 1.00 0.36 H new ATOM 0 HG23 ILE A 74 8.968 -2.708 -1.238 1.00 0.36 H new ATOM 0 HD11 ILE A 74 6.261 -2.161 -4.579 1.00 0.42 H new ATOM 0 HD12 ILE A 74 6.526 -3.921 -4.549 1.00 0.42 H new ATOM 0 HD13 ILE A 74 6.170 -3.049 -3.039 1.00 0.42 H new ATOM 1179 N ASP A 75 10.293 -6.350 -2.552 1.00 0.44 N ATOM 1180 CA ASP A 75 10.845 -7.536 -1.836 1.00 0.62 C ATOM 1181 C ASP A 75 12.386 -7.648 -1.960 1.00 0.56 C ATOM 1182 O ASP A 75 13.137 -7.960 -1.053 1.00 0.63 O ATOM 1183 CB ASP A 75 10.153 -8.765 -2.407 1.00 0.80 C ATOM 1184 CG ASP A 75 9.469 -9.556 -1.289 1.00 1.49 C ATOM 1185 OD1 ASP A 75 8.440 -9.086 -0.841 1.00 1.79 O ATOM 1186 OD2 ASP A 75 10.035 -10.584 -0.951 1.00 2.24 O ATOM 0 H ASP A 75 9.507 -6.545 -3.172 1.00 0.44 H new ATOM 0 HA ASP A 75 10.652 -7.439 -0.768 1.00 0.62 H new ATOM 0 HB2 ASP A 75 9.416 -8.463 -3.152 1.00 0.80 H new ATOM 0 HB3 ASP A 75 10.881 -9.397 -2.916 1.00 0.80 H new ATOM 1191 N LYS A 76 12.834 -7.358 -3.140 1.00 0.45 N ATOM 1192 CA LYS A 76 14.300 -7.424 -3.425 1.00 0.37 C ATOM 1193 C LYS A 76 15.008 -6.389 -2.576 1.00 0.28 C ATOM 1194 O LYS A 76 16.046 -6.671 -2.004 1.00 0.25 O ATOM 1195 CB LYS A 76 14.495 -7.210 -4.932 1.00 0.39 C ATOM 1196 CG LYS A 76 15.826 -7.925 -5.263 1.00 0.36 C ATOM 1197 CD LYS A 76 15.587 -9.473 -5.184 1.00 0.71 C ATOM 1198 CE LYS A 76 16.854 -10.234 -5.512 1.00 0.37 C ATOM 1199 NZ LYS A 76 16.655 -11.640 -5.044 1.00 1.21 N ATOM 0 H LYS A 76 12.252 -7.076 -3.929 1.00 0.45 H new ATOM 0 HA LYS A 76 14.731 -8.392 -3.167 1.00 0.37 H new ATOM 0 HB2 LYS A 76 13.667 -7.632 -5.502 1.00 0.39 H new ATOM 0 HB3 LYS A 76 14.544 -6.149 -5.178 1.00 0.39 H new ATOM 0 HG2 LYS A 76 16.170 -7.644 -6.258 1.00 0.36 H new ATOM 0 HG3 LYS A 76 16.603 -7.625 -4.560 1.00 0.36 H new ATOM 0 HD2 LYS A 76 15.246 -9.741 -4.184 1.00 0.71 H new ATOM 0 HD3 LYS A 76 14.797 -9.759 -5.878 1.00 0.71 H new ATOM 0 HE2 LYS A 76 17.052 -10.209 -6.584 1.00 0.37 H new ATOM 0 HE3 LYS A 76 17.714 -9.782 -5.018 1.00 0.37 H new ATOM 0 HZ1 LYS A 76 17.399 -11.887 -4.360 1.00 1.21 H new ATOM 0 HZ2 LYS A 76 15.724 -11.726 -4.589 1.00 1.21 H new ATOM 0 HZ3 LYS A 76 16.704 -12.287 -5.857 1.00 1.21 H new ATOM 1213 N VAL A 77 14.444 -5.216 -2.511 1.00 0.25 N ATOM 1214 CA VAL A 77 15.059 -4.144 -1.675 1.00 0.19 C ATOM 1215 C VAL A 77 15.042 -4.794 -0.290 1.00 0.19 C ATOM 1216 O VAL A 77 16.043 -4.794 0.399 1.00 0.16 O ATOM 1217 CB VAL A 77 14.174 -2.890 -1.717 1.00 0.17 C ATOM 1218 CG1 VAL A 77 14.599 -1.949 -0.568 1.00 0.20 C ATOM 1219 CG2 VAL A 77 14.348 -2.195 -3.094 1.00 0.13 C ATOM 0 H VAL A 77 13.587 -4.952 -2.998 1.00 0.25 H new ATOM 0 HA VAL A 77 16.051 -3.820 -1.990 1.00 0.19 H new ATOM 0 HB VAL A 77 13.123 -3.152 -1.591 1.00 0.17 H new ATOM 0 HG11 VAL A 77 13.979 -1.052 -0.584 1.00 0.20 H new ATOM 0 HG12 VAL A 77 14.473 -2.460 0.386 1.00 0.20 H new ATOM 0 HG13 VAL A 77 15.645 -1.669 -0.695 1.00 0.20 H new ATOM 0 HG21 VAL A 77 13.723 -1.303 -3.133 1.00 0.13 H new ATOM 0 HG22 VAL A 77 15.392 -1.913 -3.230 1.00 0.13 H new ATOM 0 HG23 VAL A 77 14.051 -2.881 -3.888 1.00 0.13 H new ATOM 1229 N GLU A 78 13.902 -5.328 0.084 1.00 0.24 N ATOM 1230 CA GLU A 78 13.774 -6.003 1.402 1.00 0.24 C ATOM 1231 C GLU A 78 15.007 -6.934 1.557 1.00 0.17 C ATOM 1232 O GLU A 78 15.654 -6.884 2.582 1.00 0.17 O ATOM 1233 CB GLU A 78 12.434 -6.794 1.426 1.00 0.30 C ATOM 1234 CG GLU A 78 11.433 -6.261 2.524 1.00 0.38 C ATOM 1235 CD GLU A 78 12.145 -5.895 3.820 1.00 0.96 C ATOM 1236 OE1 GLU A 78 12.507 -6.816 4.529 1.00 1.86 O ATOM 1237 OE2 GLU A 78 12.310 -4.702 4.036 1.00 1.27 O ATOM 0 H GLU A 78 13.051 -5.321 -0.478 1.00 0.24 H new ATOM 0 HA GLU A 78 13.753 -5.298 2.233 1.00 0.24 H new ATOM 0 HB2 GLU A 78 11.961 -6.729 0.446 1.00 0.30 H new ATOM 0 HB3 GLU A 78 12.642 -7.848 1.610 1.00 0.30 H new ATOM 0 HG2 GLU A 78 10.907 -5.387 2.141 1.00 0.38 H new ATOM 0 HG3 GLU A 78 10.680 -7.022 2.727 1.00 0.38 H new ATOM 1244 N GLU A 79 15.316 -7.774 0.600 1.00 0.15 N ATOM 1245 CA GLU A 79 16.518 -8.663 0.721 1.00 0.14 C ATOM 1246 C GLU A 79 17.756 -7.774 0.984 1.00 0.07 C ATOM 1247 O GLU A 79 18.456 -7.876 1.976 1.00 0.17 O ATOM 1248 CB GLU A 79 16.787 -9.428 -0.581 1.00 0.18 C ATOM 1249 CG GLU A 79 15.801 -10.594 -0.854 1.00 0.11 C ATOM 1250 CD GLU A 79 16.172 -11.343 -2.152 1.00 0.69 C ATOM 1251 OE1 GLU A 79 17.344 -11.343 -2.492 1.00 1.15 O ATOM 1252 OE2 GLU A 79 15.286 -11.899 -2.782 1.00 1.78 O ATOM 0 H GLU A 79 14.786 -7.884 -0.265 1.00 0.15 H new ATOM 0 HA GLU A 79 16.333 -9.373 1.527 1.00 0.14 H new ATOM 0 HB2 GLU A 79 16.743 -8.728 -1.415 1.00 0.18 H new ATOM 0 HB3 GLU A 79 17.802 -9.825 -0.552 1.00 0.18 H new ATOM 0 HG2 GLU A 79 15.812 -11.288 -0.014 1.00 0.11 H new ATOM 0 HG3 GLU A 79 14.786 -10.205 -0.932 1.00 0.11 H new ATOM 1259 N LEU A 80 18.013 -6.904 0.041 1.00 0.08 N ATOM 1260 CA LEU A 80 19.184 -5.986 0.168 1.00 0.21 C ATOM 1261 C LEU A 80 19.364 -5.393 1.528 1.00 0.30 C ATOM 1262 O LEU A 80 20.415 -5.485 2.109 1.00 0.39 O ATOM 1263 CB LEU A 80 19.044 -4.875 -0.817 1.00 0.27 C ATOM 1264 CG LEU A 80 19.363 -5.334 -2.223 1.00 0.33 C ATOM 1265 CD1 LEU A 80 19.375 -4.077 -3.041 1.00 0.40 C ATOM 1266 CD2 LEU A 80 20.748 -6.003 -2.214 1.00 0.34 C ATOM 0 H LEU A 80 17.463 -6.790 -0.810 1.00 0.08 H new ATOM 0 HA LEU A 80 20.065 -6.599 -0.023 1.00 0.21 H new ATOM 0 HB2 LEU A 80 18.027 -4.484 -0.783 1.00 0.27 H new ATOM 0 HB3 LEU A 80 19.709 -4.057 -0.541 1.00 0.27 H new ATOM 0 HG LEU A 80 18.650 -6.056 -2.621 1.00 0.33 H new ATOM 0 HD11 LEU A 80 19.600 -4.321 -4.079 1.00 0.40 H new ATOM 0 HD12 LEU A 80 18.398 -3.597 -2.984 1.00 0.40 H new ATOM 0 HD13 LEU A 80 20.136 -3.399 -2.655 1.00 0.40 H new ATOM 0 HD21 LEU A 80 20.995 -6.341 -3.220 1.00 0.34 H new ATOM 0 HD22 LEU A 80 21.496 -5.285 -1.878 1.00 0.34 H new ATOM 0 HD23 LEU A 80 20.735 -6.858 -1.537 1.00 0.34 H new ATOM 1278 N LYS A 81 18.317 -4.789 1.966 1.00 0.29 N ATOM 1279 CA LYS A 81 18.251 -4.132 3.297 1.00 0.42 C ATOM 1280 C LYS A 81 18.989 -4.960 4.347 1.00 0.45 C ATOM 1281 O LYS A 81 19.872 -4.482 5.031 1.00 0.76 O ATOM 1282 CB LYS A 81 16.800 -4.018 3.547 1.00 0.46 C ATOM 1283 CG LYS A 81 16.373 -3.501 4.916 1.00 0.36 C ATOM 1284 CD LYS A 81 14.848 -3.430 4.830 1.00 0.53 C ATOM 1285 CE LYS A 81 14.302 -2.364 5.758 1.00 0.55 C ATOM 1286 NZ LYS A 81 12.882 -2.185 5.355 1.00 1.44 N ATOM 0 H LYS A 81 17.452 -4.716 1.431 1.00 0.29 H new ATOM 0 HA LYS A 81 18.739 -3.158 3.339 1.00 0.42 H new ATOM 0 HB2 LYS A 81 16.376 -3.360 2.789 1.00 0.46 H new ATOM 0 HB3 LYS A 81 16.353 -5.001 3.401 1.00 0.46 H new ATOM 0 HG2 LYS A 81 16.696 -4.170 5.713 1.00 0.36 H new ATOM 0 HG3 LYS A 81 16.806 -2.523 5.125 1.00 0.36 H new ATOM 0 HD2 LYS A 81 14.547 -3.214 3.805 1.00 0.53 H new ATOM 0 HD3 LYS A 81 14.420 -4.398 5.090 1.00 0.53 H new ATOM 0 HE2 LYS A 81 14.379 -2.673 6.801 1.00 0.55 H new ATOM 0 HE3 LYS A 81 14.860 -1.433 5.659 1.00 0.55 H new ATOM 0 HZ1 LYS A 81 12.765 -1.258 4.898 1.00 1.44 H new ATOM 0 HZ2 LYS A 81 12.613 -2.936 4.688 1.00 1.44 H new ATOM 0 HZ3 LYS A 81 12.273 -2.236 6.197 1.00 1.44 H new ATOM 1300 N LYS A 82 18.556 -6.196 4.372 1.00 0.27 N ATOM 1301 CA LYS A 82 19.069 -7.239 5.288 1.00 0.25 C ATOM 1302 C LYS A 82 20.555 -7.518 5.091 1.00 0.32 C ATOM 1303 O LYS A 82 21.368 -7.489 5.989 1.00 0.41 O ATOM 1304 CB LYS A 82 18.302 -8.514 5.035 1.00 0.18 C ATOM 1305 CG LYS A 82 16.776 -8.345 5.227 1.00 0.46 C ATOM 1306 CD LYS A 82 16.142 -9.731 4.882 1.00 0.51 C ATOM 1307 CE LYS A 82 14.603 -9.753 4.846 1.00 0.97 C ATOM 1308 NZ LYS A 82 14.131 -8.947 3.679 1.00 1.21 N ATOM 0 H LYS A 82 17.821 -6.534 3.751 1.00 0.27 H new ATOM 0 HA LYS A 82 18.936 -6.879 6.308 1.00 0.25 H new ATOM 0 HB2 LYS A 82 18.500 -8.856 4.019 1.00 0.18 H new ATOM 0 HB3 LYS A 82 18.664 -9.290 5.709 1.00 0.18 H new ATOM 0 HG2 LYS A 82 16.542 -8.053 6.251 1.00 0.46 H new ATOM 0 HG3 LYS A 82 16.385 -7.564 4.575 1.00 0.46 H new ATOM 0 HD2 LYS A 82 16.518 -10.054 3.911 1.00 0.51 H new ATOM 0 HD3 LYS A 82 16.484 -10.462 5.615 1.00 0.51 H new ATOM 0 HE2 LYS A 82 14.243 -10.779 4.765 1.00 0.97 H new ATOM 0 HE3 LYS A 82 14.199 -9.346 5.773 1.00 0.97 H new ATOM 0 HZ1 LYS A 82 13.325 -8.357 3.968 1.00 1.21 H new ATOM 0 HZ2 LYS A 82 14.903 -8.337 3.343 1.00 1.21 H new ATOM 0 HZ3 LYS A 82 13.836 -9.585 2.913 1.00 1.21 H new ATOM 1322 N LYS A 83 20.799 -7.799 3.851 1.00 0.28 N ATOM 1323 CA LYS A 83 22.134 -8.128 3.292 1.00 0.30 C ATOM 1324 C LYS A 83 23.230 -7.097 3.472 1.00 0.32 C ATOM 1325 O LYS A 83 24.292 -7.362 3.995 1.00 0.37 O ATOM 1326 CB LYS A 83 21.961 -8.355 1.842 1.00 0.17 C ATOM 1327 CG LYS A 83 21.069 -9.530 1.577 1.00 0.34 C ATOM 1328 CD LYS A 83 20.591 -9.359 0.128 1.00 0.32 C ATOM 1329 CE LYS A 83 20.167 -10.712 -0.318 1.00 0.46 C ATOM 1330 NZ LYS A 83 19.958 -10.607 -1.775 1.00 0.91 N ATOM 0 H LYS A 83 20.063 -7.815 3.145 1.00 0.28 H new ATOM 0 HA LYS A 83 22.474 -8.997 3.856 1.00 0.30 H new ATOM 0 HB2 LYS A 83 21.538 -7.463 1.380 1.00 0.17 H new ATOM 0 HB3 LYS A 83 22.934 -8.523 1.379 1.00 0.17 H new ATOM 0 HG2 LYS A 83 21.607 -10.469 1.705 1.00 0.34 H new ATOM 0 HG3 LYS A 83 20.227 -9.548 2.269 1.00 0.34 H new ATOM 0 HD2 LYS A 83 19.765 -8.651 0.069 1.00 0.32 H new ATOM 0 HD3 LYS A 83 21.389 -8.971 -0.504 1.00 0.32 H new ATOM 0 HE2 LYS A 83 20.928 -11.457 -0.085 1.00 0.46 H new ATOM 0 HE3 LYS A 83 19.252 -11.022 0.187 1.00 0.46 H new ATOM 0 HZ1 LYS A 83 18.953 -10.762 -1.994 1.00 0.91 H new ATOM 0 HZ2 LYS A 83 20.241 -9.660 -2.099 1.00 0.91 H new ATOM 0 HZ3 LYS A 83 20.532 -11.325 -2.261 1.00 0.91 H new ATOM 1344 N TYR A 84 22.911 -5.928 3.003 1.00 0.46 N ATOM 1345 CA TYR A 84 23.873 -4.813 3.084 1.00 0.73 C ATOM 1346 C TYR A 84 23.547 -3.796 4.191 1.00 1.13 C ATOM 1347 O TYR A 84 24.539 -3.372 4.758 1.00 1.43 O ATOM 1348 CB TYR A 84 23.928 -4.227 1.638 1.00 0.89 C ATOM 1349 CG TYR A 84 24.184 -5.414 0.670 1.00 0.80 C ATOM 1350 CD1 TYR A 84 25.450 -5.926 0.444 1.00 1.06 C ATOM 1351 CD2 TYR A 84 23.126 -5.994 0.004 1.00 1.24 C ATOM 1352 CE1 TYR A 84 25.640 -6.993 -0.430 1.00 0.96 C ATOM 1353 CE2 TYR A 84 23.326 -7.049 -0.858 1.00 1.37 C ATOM 1354 CZ TYR A 84 24.566 -7.555 -1.087 1.00 0.91 C ATOM 1355 OH TYR A 84 24.698 -8.591 -1.989 1.00 1.08 O ATOM 0 H TYR A 84 22.018 -5.700 2.565 1.00 0.46 H new ATOM 0 HA TYR A 84 24.862 -5.148 3.396 1.00 0.73 H new ATOM 0 HB2 TYR A 84 22.993 -3.724 1.391 1.00 0.89 H new ATOM 0 HB3 TYR A 84 24.721 -3.484 1.554 1.00 0.89 H new ATOM 0 HD1 TYR A 84 26.300 -5.493 0.951 1.00 1.06 H new ATOM 0 HD2 TYR A 84 22.126 -5.616 0.160 1.00 1.24 H new ATOM 0 HE1 TYR A 84 26.634 -7.382 -0.594 1.00 0.96 H new ATOM 0 HE2 TYR A 84 22.477 -7.485 -1.364 1.00 1.37 H new ATOM 0 HH TYR A 84 23.810 -8.890 -2.276 1.00 1.08 H new ATOM 1365 N GLY A 85 22.331 -3.351 4.536 1.00 1.20 N ATOM 1366 CA GLY A 85 22.358 -2.370 5.694 1.00 1.68 C ATOM 1367 C GLY A 85 22.014 -0.925 5.482 1.00 2.13 C ATOM 1368 O GLY A 85 22.856 -0.048 5.408 1.00 2.70 O ATOM 0 H GLY A 85 21.430 -3.590 4.123 1.00 1.20 H new ATOM 0 HA2 GLY A 85 21.678 -2.753 6.455 1.00 1.68 H new ATOM 0 HA3 GLY A 85 23.362 -2.402 6.118 1.00 1.68 H new ATOM 1372 N ILE A 86 20.744 -0.737 5.412 1.00 1.86 N ATOM 1373 CA ILE A 86 20.183 0.614 5.220 1.00 2.23 C ATOM 1374 C ILE A 86 20.239 1.354 6.590 1.00 3.14 C ATOM 1375 O ILE A 86 20.333 0.671 7.600 1.00 3.05 O ATOM 1376 CB ILE A 86 18.732 0.369 4.620 1.00 1.12 C ATOM 1377 CG1 ILE A 86 17.604 0.819 5.557 1.00 0.65 C ATOM 1378 CG2 ILE A 86 18.432 -1.018 4.140 1.00 0.98 C ATOM 1379 CD1 ILE A 86 16.760 1.915 4.929 1.00 0.84 C ATOM 1380 OXT ILE A 86 20.204 2.576 6.585 1.00 4.17 O ATOM 0 H ILE A 86 20.049 -1.481 5.481 1.00 1.86 H new ATOM 0 HA ILE A 86 20.725 1.262 4.531 1.00 2.23 H new ATOM 0 HB ILE A 86 18.762 1.003 3.734 1.00 1.12 H new ATOM 0 HG12 ILE A 86 16.971 -0.034 5.801 1.00 0.65 H new ATOM 0 HG13 ILE A 86 18.030 1.178 6.494 1.00 0.65 H new ATOM 0 HG21 ILE A 86 17.413 -1.057 3.754 1.00 0.98 H new ATOM 0 HG22 ILE A 86 19.131 -1.288 3.348 1.00 0.98 H new ATOM 0 HG23 ILE A 86 18.534 -1.720 4.968 1.00 0.98 H new ATOM 0 HD11 ILE A 86 15.971 2.209 5.621 1.00 0.84 H new ATOM 0 HD12 ILE A 86 17.389 2.778 4.709 1.00 0.84 H new ATOM 0 HD13 ILE A 86 16.314 1.546 4.005 1.00 0.84 H new TER 1392 ILE A 86 HETATM 1393 N1A COA A 87 16.770 1.910 -6.736 1.00 0.36 N HETATM 1394 C2A COA A 87 17.391 1.557 -7.847 1.00 0.35 C HETATM 1395 N3A COA A 87 18.141 2.275 -8.667 1.00 0.33 N HETATM 1396 C4A COA A 87 18.241 3.541 -8.225 1.00 0.30 C HETATM 1397 C5A COA A 87 17.673 4.065 -7.102 1.00 0.30 C HETATM 1398 C6A COA A 87 16.898 3.176 -6.342 1.00 0.34 C HETATM 1399 N6A COA A 87 16.255 3.492 -5.236 1.00 0.39 N HETATM 1400 N7A COA A 87 18.023 5.405 -6.962 1.00 0.27 N HETATM 1401 C8A COA A 87 18.789 5.625 -8.005 1.00 0.25 C HETATM 1402 N9A COA A 87 18.957 4.536 -8.816 1.00 0.28 N HETATM 1403 C1B COA A 87 19.707 4.388 -10.082 1.00 0.31 C HETATM 1404 C2B COA A 87 20.069 5.708 -10.751 1.00 0.31 C HETATM 1405 O2B COA A 87 19.038 6.072 -11.687 1.00 0.14 O HETATM 1406 C3B COA A 87 21.353 5.331 -11.470 1.00 0.46 C HETATM 1407 O3B COA A 87 21.052 4.595 -12.717 1.00 0.48 O HETATM 1408 P3B COA A 87 21.033 5.324 -14.170 1.00 0.39 P HETATM 1409 O7A COA A 87 22.479 5.598 -14.291 1.00 1.44 O HETATM 1410 O8A COA A 87 20.110 6.443 -13.940 1.00 1.66 O HETATM 1411 O9A COA A 87 20.470 4.313 -15.091 1.00 1.58 O HETATM 1412 C4B COA A 87 21.980 4.394 -10.414 1.00 0.55 C HETATM 1413 O4B COA A 87 20.919 3.728 -9.747 1.00 0.44 O HETATM 1414 C5B COA A 87 22.820 5.087 -9.277 1.00 0.65 C HETATM 1415 O5B COA A 87 22.135 6.125 -8.541 1.00 0.63 O HETATM 1416 P1A COA A 87 22.867 7.462 -7.985 1.00 0.96 P HETATM 1417 O1A COA A 87 23.911 7.019 -7.030 1.00 2.75 O HETATM 1418 O2A COA A 87 23.232 8.258 -9.173 1.00 1.84 O HETATM 1419 O3A COA A 87 21.653 8.169 -7.293 1.00 1.39 O HETATM 1420 P2A COA A 87 21.924 8.727 -5.871 1.00 1.84 P HETATM 1421 O4A COA A 87 23.255 9.352 -5.765 1.00 1.85 O HETATM 1422 O5A COA A 87 20.714 9.486 -5.477 1.00 2.39 O HETATM 1423 O6A COA A 87 21.832 7.411 -4.911 1.00 2.22 O HETATM 1424 CBP COA A 87 22.706 5.093 -4.575 1.00 1.93 C HETATM 1425 CCP COA A 87 21.782 6.037 -5.359 1.00 2.34 C HETATM 1426 CDP COA A 87 23.483 4.300 -5.526 1.00 1.64 C HETATM 1427 CEP COA A 87 21.760 4.091 -3.878 1.00 2.08 C HETATM 1428 CAP COA A 87 23.804 5.882 -3.680 1.00 1.98 C HETATM 1429 OAP COA A 87 24.729 6.490 -4.594 1.00 1.55 O HETATM 1430 C9P COA A 87 24.518 5.156 -2.510 1.00 2.33 C HETATM 1431 O9P COA A 87 25.579 5.604 -2.114 1.00 2.72 O HETATM 1432 N8P COA A 87 23.878 4.133 -1.976 1.00 2.40 N HETATM 1433 C7P COA A 87 24.318 3.235 -0.853 1.00 2.85 C HETATM 1434 C6P COA A 87 25.843 3.249 -0.739 1.00 2.14 C HETATM 1435 C5P COA A 87 26.395 2.798 -2.064 1.00 0.47 C HETATM 1436 O5P COA A 87 26.276 1.640 -2.386 1.00 1.54 O HETATM 1437 N4P COA A 87 26.977 3.707 -2.792 1.00 0.65 N HETATM 1438 C3P COA A 87 27.553 3.416 -4.118 1.00 2.45 C HETATM 1439 C2P COA A 87 26.445 3.937 -5.042 1.00 2.49 C HETATM 1440 S1P COA A 87 25.663 2.653 -6.078 1.00 3.25 S HETATM 0 HO2A COA A 87 19.432 6.578 -12.428 1.00 0.14 H new HETATM 0 H62A COA A 87 16.305 4.443 -4.871 1.00 0.39 H new HETATM 0 H61A COA A 87 15.707 2.785 -4.745 1.00 0.39 H new HETATM 0 H52A COA A 87 23.146 4.322 -8.573 1.00 0.65 H new HETATM 0 H51A COA A 87 23.718 5.514 -9.722 1.00 0.65 H new HETATM 0 H143 COA A 87 21.082 4.630 -3.216 1.00 2.08 H new HETATM 0 H142 COA A 87 21.182 3.554 -4.629 1.00 2.08 H new HETATM 0 H141 COA A 87 22.347 3.381 -3.296 1.00 2.08 H new HETATM 0 H133 COA A 87 22.807 3.719 -6.153 1.00 1.64 H new HETATM 0 H132 COA A 87 24.078 4.964 -6.153 1.00 1.64 H new HETATM 0 H131 COA A 87 24.144 3.625 -4.982 1.00 1.64 H new HETATM 0 H122 COA A 87 20.757 5.676 -5.278 1.00 2.34 H new HETATM 0 H121 COA A 87 22.051 5.999 -6.415 1.00 2.34 H new HETATM 0 HO1 COA A 87 24.233 6.968 -5.291 1.00 1.55 H new HETATM 0 HN8 COA A 87 22.964 3.924 -2.378 1.00 2.40 H new HETATM 0 HN4 COA A 87 27.037 4.659 -2.431 1.00 0.65 H new HETATM 0 H8A COA A 87 19.251 6.591 -8.207 1.00 0.25 H new HETATM 0 H72 COA A 87 23.872 3.566 0.085 1.00 2.85 H new HETATM 0 H71 COA A 87 23.968 2.218 -1.031 1.00 2.85 H new HETATM 0 H62 COA A 87 26.201 4.249 -0.494 1.00 2.14 H new HETATM 0 H61 COA A 87 26.175 2.587 0.061 1.00 2.14 H new HETATM 0 H4B COA A 87 22.664 3.757 -10.975 1.00 0.55 H new HETATM 0 H3B COA A 87 21.981 6.167 -11.777 1.00 0.46 H new HETATM 0 H32 COA A 87 28.500 3.932 -4.278 1.00 2.45 H new HETATM 0 H31 COA A 87 27.742 2.352 -4.261 1.00 2.45 H new HETATM 0 H2B COA A 87 20.176 6.557 -10.076 1.00 0.31 H new HETATM 0 H2A COA A 87 17.266 0.512 -8.132 1.00 0.35 H new HETATM 0 H22 COA A 87 25.676 4.415 -4.434 1.00 2.49 H new HETATM 0 H21 COA A 87 26.862 4.707 -5.691 1.00 2.49 H new HETATM 0 H1B COA A 87 19.076 3.846 -10.787 1.00 0.31 H new HETATM 0 H10 COA A 87 23.228 6.598 -3.094 1.00 1.98 H new HETATM 1472 C1 PLM A 88 25.092 1.310 -4.978 1.00 2.21 C HETATM 1473 O2 PLM A 88 25.693 0.262 -4.859 1.00 3.22 O HETATM 1474 C2 PLM A 88 23.799 1.580 -4.198 1.00 0.46 C HETATM 1475 C3 PLM A 88 22.851 0.405 -3.857 1.00 0.52 C HETATM 1476 C4 PLM A 88 21.429 0.459 -4.623 1.00 0.64 C HETATM 1477 C5 PLM A 88 21.464 0.996 -6.039 1.00 0.52 C HETATM 1478 C6 PLM A 88 20.061 0.794 -6.620 1.00 0.89 C HETATM 1479 C7 PLM A 88 20.303 0.066 -7.918 1.00 0.35 C HETATM 1480 C8 PLM A 88 21.026 1.093 -8.851 1.00 0.74 C HETATM 1481 C9 PLM A 88 22.055 0.447 -9.777 1.00 1.08 C HETATM 1482 CA PLM A 88 23.400 1.249 -9.753 1.00 1.25 C HETATM 1483 CB PLM A 88 24.395 0.782 -8.676 1.00 2.07 C HETATM 1484 CC PLM A 88 25.287 -0.461 -9.090 1.00 2.57 C HETATM 1485 CD PLM A 88 24.488 -1.753 -9.358 1.00 1.95 C HETATM 1486 CE PLM A 88 23.957 -1.890 -10.681 1.00 0.12 C HETATM 1487 CF PLM A 88 25.077 -2.482 -11.586 1.00 0.41 C HETATM 1488 CG PLM A 88 24.775 -3.899 -11.813 1.00 0.79 C HETATM 0 HG3 PLM A 88 24.747 -4.423 -10.857 1.00 0.79 H new HETATM 0 HG2 PLM A 88 23.807 -3.990 -12.305 1.00 0.79 H new HETATM 0 HG1 PLM A 88 25.546 -4.339 -12.446 1.00 0.79 H new HETATM 0 HF2 PLM A 88 25.124 -1.946 -12.534 1.00 0.41 H new HETATM 0 HF1 PLM A 88 26.051 -2.372 -11.109 1.00 0.41 H new HETATM 0 HE2 PLM A 88 23.085 -2.544 -10.676 1.00 0.12 H new HETATM 0 HE1 PLM A 88 23.629 -0.923 -11.063 1.00 0.12 H new HETATM 0 HD2 PLM A 88 25.134 -2.607 -9.155 1.00 1.95 H new HETATM 0 HD1 PLM A 88 23.663 -1.802 -8.648 1.00 1.95 H new HETATM 0 HC2 PLM A 88 25.853 -0.205 -9.986 1.00 2.57 H new HETATM 0 HC1 PLM A 88 26.012 -0.653 -8.299 1.00 2.57 H new HETATM 0 HB2 PLM A 88 25.052 1.614 -8.423 1.00 2.07 H new HETATM 0 HB1 PLM A 88 23.839 0.528 -7.773 1.00 2.07 H new HETATM 0 HA2 PLM A 88 23.876 1.168 -10.730 1.00 1.25 H new HETATM 0 HA1 PLM A 88 23.178 2.304 -9.593 1.00 1.25 H new HETATM 0 H92 PLM A 88 22.234 -0.583 -9.468 1.00 1.08 H new HETATM 0 H91 PLM A 88 21.665 0.411 -10.794 1.00 1.08 H new HETATM 0 H82 PLM A 88 20.281 1.613 -9.453 1.00 0.74 H new HETATM 0 H81 PLM A 88 21.521 1.845 -8.237 1.00 0.74 H new HETATM 0 H72 PLM A 88 20.918 -0.820 -7.761 1.00 0.35 H new HETATM 0 H71 PLM A 88 19.365 -0.271 -8.359 1.00 0.35 H new HETATM 0 H62 PLM A 88 19.431 0.212 -5.948 1.00 0.89 H new HETATM 0 H61 PLM A 88 19.557 1.746 -6.785 1.00 0.89 H new HETATM 0 H52 PLM A 88 21.738 2.051 -6.046 1.00 0.52 H new HETATM 0 H51 PLM A 88 22.209 0.469 -6.635 1.00 0.52 H new HETATM 0 H42 PLM A 88 21.012 -0.548 -4.646 1.00 0.64 H new HETATM 0 H41 PLM A 88 20.745 1.074 -4.038 1.00 0.64 H new HETATM 0 H32 PLM A 88 23.349 -0.533 -4.104 1.00 0.52 H new HETATM 0 H31 PLM A 88 22.672 0.397 -2.782 1.00 0.52 H new HETATM 0 H22 PLM A 88 24.079 2.056 -3.258 1.00 0.46 H new HETATM 0 H21 PLM A 88 23.222 2.310 -4.766 1.00 0.46 H new