USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=32 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 -51:sc= 1.1 USER MOD Set 1.2: A 30 HIS : no HE2:sc= -0.743 K(o=0.36,f=-8.9!) USER MOD Set 2.1: A 28 TYR OH : rot 62:sc= 1.38 USER MOD Set 2.2: A 32 LYS NZ :NH3+ -132:sc= 0.943! (180deg=-1.41!) USER MOD Set 2.3: A 87 COA O2B : rot -138:sc= 0.445 USER MOD Single : A 1 SER N :NH3+ -145:sc= 0.632 (180deg=0.162) USER MOD Single : A 1 SER OG : rot 180:sc= 0.155 USER MOD Single : A 2 GLN :FLIP amide:sc= -2.47 F(o=-3.8,f=-2.5) USER MOD Single : A 7 LYS NZ :NH3+ -129:sc= 0.916 (180deg=-0.0201) USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= 0.631 (180deg=-0.333!) USER MOD Single : A 14 HIS : no HD1:sc= -3.49! C(o=-3.5!,f=-6.9!) USER MOD Single : A 16 LYS NZ :NH3+ -154:sc= -3.84! (180deg=-5.3!) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0554 USER MOD Single : A 18 LYS NZ :NH3+ -136:sc= -5.08! (180deg=-8.52!) USER MOD Single : A 24 MET CE :methyl 164:sc= -3.33 (180deg=-4.78) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -29.4! C(o=-29!,f=-30!) USER MOD Single : A 35 THR OG1 : rot -101:sc= 0.0263 USER MOD Single : A 40 ASN : amide:sc= 0.635 K(o=0.63,f=-0.013) USER MOD Single : A 41 THR OG1 : rot 96:sc= 1 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -111:sc= 2.28 (180deg=-1.39!) USER MOD Single : A 52 LYS NZ :NH3+ -149:sc= 1.26! (180deg=0.676) USER MOD Single : A 54 LYS NZ :NH3+ 160:sc= -4.28! (180deg=-5.12!) USER MOD Single : A 59 ASN : amide:sc= -1.5 K(o=-1.5,f=-6.1!) USER MOD Single : A 62 LYS NZ :NH3+ -127:sc= -0.904! (180deg=-4.94!) USER MOD Single : A 64 THR OG1 : rot 98:sc= 1.24 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 142:sc= 0.303! (180deg=-1.49!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 139:sc= 1.48 (180deg=0.139) USER MOD Single : A 73 TYR OH : rot 77:sc= -2.26 USER MOD Single : A 76 LYS NZ :NH3+ 139:sc= -2.88! (180deg=-6.31!) USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= -0.61 (180deg=-1.55!) USER MOD Single : A 82 LYS NZ :NH3+ -164:sc= 0.122! (180deg=-0.249!) USER MOD Single : A 83 LYS NZ :NH3+ -134:sc= 1.86 (180deg=-0.175) USER MOD Single : A 84 TYR OH : rot -175:sc= 1.35 USER MOD Single : A 87 COA OAP : rot 169:sc= -6.21! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.680 5.682 -7.406 1.00 5.11 N ATOM 2 CA SER A 1 4.072 5.685 -5.959 1.00 4.21 C ATOM 3 C SER A 1 2.984 4.968 -5.180 1.00 3.11 C ATOM 4 O SER A 1 1.848 4.903 -5.605 1.00 2.84 O ATOM 5 CB SER A 1 4.219 7.145 -5.496 1.00 5.12 C ATOM 6 OG SER A 1 3.164 7.759 -6.226 1.00 5.35 O ATOM 0 H1 SER A 1 4.532 5.592 -7.996 1.00 5.11 H new ATOM 0 H2 SER A 1 3.044 4.880 -7.592 1.00 5.11 H new ATOM 0 H3 SER A 1 3.192 6.571 -7.635 1.00 5.11 H new ATOM 0 HA SER A 1 5.021 5.175 -5.796 1.00 4.21 H new ATOM 0 HB2 SER A 1 4.094 7.252 -4.419 1.00 5.12 H new ATOM 0 HB3 SER A 1 5.194 7.563 -5.747 1.00 5.12 H new ATOM 0 HG SER A 1 3.139 8.717 -6.021 1.00 5.35 H new ATOM 14 N GLN A 2 3.418 4.460 -4.066 1.00 2.73 N ATOM 15 CA GLN A 2 2.546 3.681 -3.110 1.00 1.64 C ATOM 16 C GLN A 2 3.540 3.357 -2.005 1.00 1.21 C ATOM 17 O GLN A 2 3.504 2.250 -1.529 1.00 1.36 O ATOM 18 CB GLN A 2 2.137 2.372 -3.768 1.00 1.42 C ATOM 19 CG GLN A 2 3.535 1.636 -4.160 1.00 1.77 C ATOM 20 CD GLN A 2 3.349 0.131 -4.350 1.00 0.54 C ATOM 21 OE1 GLN A 2 4.248 -0.724 -3.983 1.00 0.39 O flip ATOM 22 NE2 GLN A 2 2.353 -0.323 -4.858 1.00 0.70 N flip ATOM 0 H GLN A 2 4.385 4.551 -3.754 1.00 2.73 H new ATOM 0 HA GLN A 2 1.644 4.204 -2.792 1.00 1.64 H new ATOM 0 HB2 GLN A 2 1.546 1.758 -3.089 1.00 1.42 H new ATOM 0 HB3 GLN A 2 1.524 2.550 -4.652 1.00 1.42 H new ATOM 0 HG2 GLN A 2 3.931 2.072 -5.077 1.00 1.77 H new ATOM 0 HG3 GLN A 2 4.272 1.815 -3.378 1.00 1.77 H new ATOM 0 HE21 GLN A 2 1.609 0.302 -5.168 1.00 0.70 H new ATOM 0 HE22 GLN A 2 2.256 -1.331 -4.977 1.00 0.70 H new ATOM 31 N ALA A 3 4.307 4.302 -1.581 1.00 1.51 N ATOM 32 CA ALA A 3 5.385 4.142 -0.551 1.00 1.38 C ATOM 33 C ALA A 3 5.790 2.777 0.103 1.00 1.05 C ATOM 34 O ALA A 3 6.211 2.652 1.231 1.00 1.31 O ATOM 35 CB ALA A 3 4.939 5.086 0.424 1.00 1.39 C ATOM 0 H ALA A 3 4.232 5.258 -1.928 1.00 1.51 H new ATOM 0 HA ALA A 3 6.340 4.270 -1.061 1.00 1.38 H new ATOM 0 HB1 ALA A 3 5.632 5.095 1.265 1.00 1.39 H new ATOM 0 HB2 ALA A 3 4.898 6.079 -0.023 1.00 1.39 H new ATOM 0 HB3 ALA A 3 3.946 4.805 0.775 1.00 1.39 H new ATOM 41 N GLU A 4 5.630 1.811 -0.745 1.00 0.70 N ATOM 42 CA GLU A 4 5.944 0.376 -0.482 1.00 0.22 C ATOM 43 C GLU A 4 7.199 0.093 -1.266 1.00 0.29 C ATOM 44 O GLU A 4 8.163 -0.532 -0.875 1.00 0.57 O ATOM 45 CB GLU A 4 4.733 -0.487 -0.897 1.00 0.33 C ATOM 46 CG GLU A 4 4.178 -1.289 0.351 1.00 0.43 C ATOM 47 CD GLU A 4 4.202 -0.496 1.674 1.00 1.18 C ATOM 48 OE1 GLU A 4 5.251 -0.546 2.299 1.00 2.35 O ATOM 49 OE2 GLU A 4 3.194 0.108 1.986 1.00 1.47 O ATOM 0 H GLU A 4 5.266 1.969 -1.685 1.00 0.70 H new ATOM 0 HA GLU A 4 6.120 0.142 0.568 1.00 0.22 H new ATOM 0 HB2 GLU A 4 3.948 0.148 -1.308 1.00 0.33 H new ATOM 0 HB3 GLU A 4 5.025 -1.182 -1.684 1.00 0.33 H new ATOM 0 HG2 GLU A 4 3.153 -1.598 0.144 1.00 0.43 H new ATOM 0 HG3 GLU A 4 4.766 -2.198 0.475 1.00 0.43 H new ATOM 56 N PHE A 5 7.094 0.640 -2.428 1.00 0.14 N ATOM 57 CA PHE A 5 8.126 0.581 -3.452 1.00 0.06 C ATOM 58 C PHE A 5 9.004 1.833 -3.270 1.00 0.05 C ATOM 59 O PHE A 5 10.205 1.739 -3.201 1.00 0.08 O ATOM 60 CB PHE A 5 7.339 0.542 -4.704 1.00 0.05 C ATOM 61 CG PHE A 5 8.319 0.915 -5.787 1.00 0.08 C ATOM 62 CD1 PHE A 5 8.572 2.236 -6.057 1.00 1.26 C ATOM 63 CD2 PHE A 5 8.986 -0.076 -6.450 1.00 1.11 C ATOM 64 CE1 PHE A 5 9.514 2.560 -7.004 1.00 1.28 C ATOM 65 CE2 PHE A 5 9.924 0.221 -7.394 1.00 1.12 C ATOM 66 CZ PHE A 5 10.189 1.552 -7.670 1.00 0.09 C ATOM 0 H PHE A 5 6.267 1.162 -2.719 1.00 0.14 H new ATOM 0 HA PHE A 5 8.813 -0.265 -3.427 1.00 0.06 H new ATOM 0 HB2 PHE A 5 6.918 -0.449 -4.876 1.00 0.05 H new ATOM 0 HB3 PHE A 5 6.504 1.242 -4.668 1.00 0.05 H new ATOM 0 HD1 PHE A 5 8.037 3.013 -5.531 1.00 1.26 H new ATOM 0 HD2 PHE A 5 8.767 -1.109 -6.223 1.00 1.11 H new ATOM 0 HE1 PHE A 5 9.726 3.595 -7.227 1.00 1.28 H new ATOM 0 HE2 PHE A 5 10.449 -0.565 -7.916 1.00 1.12 H new ATOM 0 HZ PHE A 5 10.930 1.806 -8.413 1.00 0.09 H new ATOM 76 N ASP A 6 8.383 2.979 -3.204 1.00 0.04 N ATOM 77 CA ASP A 6 9.072 4.279 -3.027 1.00 0.02 C ATOM 78 C ASP A 6 10.036 4.074 -1.833 1.00 0.10 C ATOM 79 O ASP A 6 11.230 4.286 -1.875 1.00 0.21 O ATOM 80 CB ASP A 6 7.943 5.295 -2.759 1.00 0.19 C ATOM 81 CG ASP A 6 6.572 5.132 -3.473 1.00 0.93 C ATOM 82 OD1 ASP A 6 6.305 4.181 -4.184 1.00 1.25 O ATOM 83 OD2 ASP A 6 5.769 6.016 -3.259 1.00 1.98 O ATOM 0 H ASP A 6 7.369 3.064 -3.270 1.00 0.04 H new ATOM 0 HA ASP A 6 9.660 4.638 -3.872 1.00 0.02 H new ATOM 0 HB2 ASP A 6 7.753 5.294 -1.686 1.00 0.19 H new ATOM 0 HB3 ASP A 6 8.327 6.283 -3.014 1.00 0.19 H new ATOM 88 N LYS A 7 9.379 3.634 -0.799 1.00 0.11 N ATOM 89 CA LYS A 7 10.023 3.314 0.519 1.00 0.13 C ATOM 90 C LYS A 7 11.209 2.411 0.206 1.00 0.13 C ATOM 91 O LYS A 7 12.327 2.633 0.611 1.00 0.24 O ATOM 92 CB LYS A 7 9.018 2.580 1.387 1.00 0.13 C ATOM 93 CG LYS A 7 9.693 1.912 2.622 1.00 0.40 C ATOM 94 CD LYS A 7 8.595 1.061 3.306 1.00 1.17 C ATOM 95 CE LYS A 7 9.126 0.345 4.551 1.00 1.53 C ATOM 96 NZ LYS A 7 10.079 -0.745 4.146 1.00 2.50 N ATOM 0 H LYS A 7 8.372 3.473 -0.809 1.00 0.11 H new ATOM 0 HA LYS A 7 10.347 4.209 1.049 1.00 0.13 H new ATOM 0 HB2 LYS A 7 8.253 3.278 1.726 1.00 0.13 H new ATOM 0 HB3 LYS A 7 8.514 1.818 0.793 1.00 0.13 H new ATOM 0 HG2 LYS A 7 10.534 1.290 2.317 1.00 0.40 H new ATOM 0 HG3 LYS A 7 10.085 2.665 3.306 1.00 0.40 H new ATOM 0 HD2 LYS A 7 7.758 1.702 3.584 1.00 1.17 H new ATOM 0 HD3 LYS A 7 8.212 0.325 2.599 1.00 1.17 H new ATOM 0 HE2 LYS A 7 9.631 1.057 5.204 1.00 1.53 H new ATOM 0 HE3 LYS A 7 8.297 -0.077 5.120 1.00 1.53 H new ATOM 0 HZ1 LYS A 7 9.806 -1.635 4.609 1.00 2.50 H new ATOM 0 HZ2 LYS A 7 10.047 -0.868 3.114 1.00 2.50 H new ATOM 0 HZ3 LYS A 7 11.044 -0.487 4.434 1.00 2.50 H new ATOM 110 N ALA A 8 10.960 1.371 -0.533 1.00 0.09 N ATOM 111 CA ALA A 8 12.085 0.458 -0.874 1.00 0.09 C ATOM 112 C ALA A 8 13.191 1.293 -1.594 1.00 0.11 C ATOM 113 O ALA A 8 14.356 1.192 -1.267 1.00 0.19 O ATOM 114 CB ALA A 8 11.473 -0.646 -1.723 1.00 0.08 C ATOM 0 H ALA A 8 10.047 1.115 -0.910 1.00 0.09 H new ATOM 0 HA ALA A 8 12.574 -0.001 -0.015 1.00 0.09 H new ATOM 0 HB1 ALA A 8 12.248 -1.356 -2.010 1.00 0.08 H new ATOM 0 HB2 ALA A 8 10.703 -1.162 -1.149 1.00 0.08 H new ATOM 0 HB3 ALA A 8 11.028 -0.212 -2.619 1.00 0.08 H new ATOM 120 N ALA A 9 12.832 2.113 -2.559 1.00 0.05 N ATOM 121 CA ALA A 9 13.847 2.946 -3.274 1.00 0.07 C ATOM 122 C ALA A 9 14.487 4.009 -2.354 1.00 0.15 C ATOM 123 O ALA A 9 15.293 4.806 -2.784 1.00 0.60 O ATOM 124 CB ALA A 9 13.147 3.604 -4.449 1.00 0.27 C ATOM 0 H ALA A 9 11.872 2.239 -2.881 1.00 0.05 H new ATOM 0 HA ALA A 9 14.665 2.310 -3.612 1.00 0.07 H new ATOM 0 HB1 ALA A 9 13.858 4.222 -4.997 1.00 0.27 H new ATOM 0 HB2 ALA A 9 12.748 2.836 -5.112 1.00 0.27 H new ATOM 0 HB3 ALA A 9 12.331 4.227 -4.084 1.00 0.27 H new ATOM 130 N GLU A 10 14.119 3.994 -1.111 1.00 0.22 N ATOM 131 CA GLU A 10 14.673 4.953 -0.135 1.00 0.18 C ATOM 132 C GLU A 10 15.625 3.980 0.526 1.00 0.13 C ATOM 133 O GLU A 10 16.829 4.133 0.491 1.00 0.11 O ATOM 134 CB GLU A 10 13.469 5.414 0.714 1.00 0.37 C ATOM 135 CG GLU A 10 13.441 4.994 2.217 1.00 2.15 C ATOM 136 CD GLU A 10 12.042 5.229 2.823 1.00 2.73 C ATOM 137 OE1 GLU A 10 11.425 6.230 2.505 1.00 2.32 O ATOM 138 OE2 GLU A 10 11.644 4.375 3.596 1.00 3.81 O ATOM 0 H GLU A 10 13.440 3.339 -0.723 1.00 0.22 H new ATOM 0 HA GLU A 10 15.163 5.878 -0.438 1.00 0.18 H new ATOM 0 HB2 GLU A 10 13.423 6.502 0.668 1.00 0.37 H new ATOM 0 HB3 GLU A 10 12.562 5.036 0.243 1.00 0.37 H new ATOM 0 HG2 GLU A 10 13.711 3.942 2.311 1.00 2.15 H new ATOM 0 HG3 GLU A 10 14.184 5.565 2.773 1.00 2.15 H new ATOM 145 N GLU A 11 15.024 2.967 1.070 1.00 0.17 N ATOM 146 CA GLU A 11 15.756 1.903 1.780 1.00 0.20 C ATOM 147 C GLU A 11 17.027 1.466 1.073 1.00 0.16 C ATOM 148 O GLU A 11 18.124 1.551 1.589 1.00 0.18 O ATOM 149 CB GLU A 11 14.768 0.760 1.962 1.00 0.34 C ATOM 150 CG GLU A 11 13.833 1.117 3.142 1.00 0.43 C ATOM 151 CD GLU A 11 13.906 0.070 4.247 1.00 0.63 C ATOM 152 OE1 GLU A 11 15.000 -0.359 4.541 1.00 1.27 O ATOM 153 OE2 GLU A 11 12.874 -0.299 4.791 1.00 0.74 O ATOM 0 H GLU A 11 14.013 2.832 1.048 1.00 0.17 H new ATOM 0 HA GLU A 11 16.115 2.271 2.741 1.00 0.20 H new ATOM 0 HB2 GLU A 11 14.190 0.608 1.051 1.00 0.34 H new ATOM 0 HB3 GLU A 11 15.297 -0.172 2.163 1.00 0.34 H new ATOM 0 HG2 GLU A 11 14.108 2.092 3.544 1.00 0.43 H new ATOM 0 HG3 GLU A 11 12.807 1.198 2.783 1.00 0.43 H new ATOM 160 N VAL A 12 16.838 1.001 -0.130 1.00 0.12 N ATOM 161 CA VAL A 12 17.945 0.530 -0.972 1.00 0.13 C ATOM 162 C VAL A 12 18.963 1.675 -1.058 1.00 0.07 C ATOM 163 O VAL A 12 20.103 1.454 -0.719 1.00 0.26 O ATOM 164 CB VAL A 12 17.256 0.095 -2.275 1.00 0.15 C ATOM 165 CG1 VAL A 12 17.225 1.072 -3.371 1.00 0.11 C ATOM 166 CG2 VAL A 12 17.856 -1.193 -2.724 1.00 0.19 C ATOM 0 H VAL A 12 15.921 0.930 -0.570 1.00 0.12 H new ATOM 0 HA VAL A 12 18.528 -0.318 -0.614 1.00 0.13 H new ATOM 0 HB VAL A 12 16.201 -0.012 -2.021 1.00 0.15 H new ATOM 0 HG11 VAL A 12 16.711 0.639 -4.230 1.00 0.11 H new ATOM 0 HG12 VAL A 12 16.696 1.968 -3.045 1.00 0.11 H new ATOM 0 HG13 VAL A 12 18.245 1.335 -3.653 1.00 0.11 H new ATOM 0 HG21 VAL A 12 17.377 -1.515 -3.649 1.00 0.19 H new ATOM 0 HG22 VAL A 12 18.923 -1.056 -2.897 1.00 0.19 H new ATOM 0 HG23 VAL A 12 17.707 -1.951 -1.955 1.00 0.19 H new ATOM 176 N LYS A 13 18.643 2.875 -1.479 1.00 0.20 N ATOM 177 CA LYS A 13 19.677 3.963 -1.519 1.00 0.21 C ATOM 178 C LYS A 13 20.151 4.290 -0.069 1.00 0.23 C ATOM 179 O LYS A 13 20.994 5.137 0.135 1.00 0.50 O ATOM 180 CB LYS A 13 19.079 5.229 -2.102 1.00 0.39 C ATOM 181 CG LYS A 13 19.734 5.514 -3.439 1.00 1.08 C ATOM 182 CD LYS A 13 19.537 7.053 -3.749 1.00 0.99 C ATOM 183 CE LYS A 13 20.910 7.768 -3.973 1.00 1.86 C ATOM 184 NZ LYS A 13 21.405 7.529 -5.367 1.00 2.03 N ATOM 0 H LYS A 13 17.713 3.150 -1.796 1.00 0.20 H new ATOM 0 HA LYS A 13 20.511 3.621 -2.131 1.00 0.21 H new ATOM 0 HB2 LYS A 13 18.002 5.114 -2.227 1.00 0.39 H new ATOM 0 HB3 LYS A 13 19.233 6.066 -1.421 1.00 0.39 H new ATOM 0 HG2 LYS A 13 20.794 5.262 -3.408 1.00 1.08 H new ATOM 0 HG3 LYS A 13 19.285 4.905 -4.223 1.00 1.08 H new ATOM 0 HD2 LYS A 13 18.914 7.171 -4.636 1.00 0.99 H new ATOM 0 HD3 LYS A 13 19.008 7.528 -2.923 1.00 0.99 H new ATOM 0 HE2 LYS A 13 20.802 8.838 -3.798 1.00 1.86 H new ATOM 0 HE3 LYS A 13 21.641 7.399 -3.253 1.00 1.86 H new ATOM 0 HZ1 LYS A 13 22.392 7.847 -5.444 1.00 2.03 H new ATOM 0 HZ2 LYS A 13 21.350 6.514 -5.586 1.00 2.03 H new ATOM 0 HZ3 LYS A 13 20.817 8.060 -6.040 1.00 2.03 H new ATOM 198 N HIS A 14 19.602 3.631 0.901 1.00 0.22 N ATOM 199 CA HIS A 14 20.013 3.884 2.316 1.00 0.48 C ATOM 200 C HIS A 14 20.865 2.688 2.790 1.00 0.48 C ATOM 201 O HIS A 14 21.423 2.709 3.871 1.00 0.50 O ATOM 202 CB HIS A 14 18.703 4.105 3.137 1.00 0.66 C ATOM 203 CG HIS A 14 18.085 5.442 2.683 1.00 0.67 C ATOM 204 ND1 HIS A 14 16.832 5.683 2.466 1.00 0.73 N ATOM 205 CD2 HIS A 14 18.700 6.651 2.412 1.00 0.94 C ATOM 206 CE1 HIS A 14 16.674 6.919 2.099 1.00 0.67 C ATOM 207 NE2 HIS A 14 17.814 7.557 2.052 1.00 0.94 N ATOM 0 H HIS A 14 18.880 2.921 0.782 1.00 0.22 H new ATOM 0 HA HIS A 14 20.634 4.771 2.442 1.00 0.48 H new ATOM 0 HB2 HIS A 14 18.005 3.285 2.971 1.00 0.66 H new ATOM 0 HB3 HIS A 14 18.920 4.127 4.205 1.00 0.66 H new ATOM 0 HD2 HIS A 14 19.763 6.828 2.486 1.00 0.94 H new ATOM 0 HE1 HIS A 14 15.719 7.364 1.862 1.00 0.67 H new ATOM 0 HE2 HIS A 14 17.979 8.530 1.796 1.00 0.94 H new ATOM 215 N LEU A 15 20.965 1.658 1.976 1.00 0.48 N ATOM 216 CA LEU A 15 21.766 0.459 2.300 1.00 0.45 C ATOM 217 C LEU A 15 23.135 1.042 2.488 1.00 0.54 C ATOM 218 O LEU A 15 23.752 1.433 1.514 1.00 0.67 O ATOM 219 CB LEU A 15 21.828 -0.477 1.123 1.00 0.34 C ATOM 220 CG LEU A 15 20.495 -1.005 0.776 1.00 0.18 C ATOM 221 CD1 LEU A 15 20.642 -1.594 -0.614 1.00 0.15 C ATOM 222 CD2 LEU A 15 20.123 -2.119 1.689 1.00 0.14 C ATOM 0 H LEU A 15 20.501 1.612 1.069 1.00 0.48 H new ATOM 0 HA LEU A 15 21.368 -0.100 3.147 1.00 0.45 H new ATOM 0 HB2 LEU A 15 22.247 0.046 0.264 1.00 0.34 H new ATOM 0 HB3 LEU A 15 22.499 -1.305 1.351 1.00 0.34 H new ATOM 0 HG LEU A 15 19.740 -0.221 0.844 1.00 0.18 H new ATOM 0 HD11 LEU A 15 19.686 -2.006 -0.937 1.00 0.15 H new ATOM 0 HD12 LEU A 15 20.954 -0.814 -1.308 1.00 0.15 H new ATOM 0 HD13 LEU A 15 21.391 -2.385 -0.596 1.00 0.15 H new ATOM 0 HD21 LEU A 15 19.137 -2.497 1.419 1.00 0.14 H new ATOM 0 HD22 LEU A 15 20.856 -2.921 1.601 1.00 0.14 H new ATOM 0 HD23 LEU A 15 20.104 -1.756 2.717 1.00 0.14 H new ATOM 234 N LYS A 16 23.626 1.105 3.681 1.00 0.50 N ATOM 235 CA LYS A 16 24.980 1.696 3.799 1.00 0.58 C ATOM 236 C LYS A 16 26.020 0.754 3.149 1.00 0.43 C ATOM 237 O LYS A 16 27.198 0.930 3.373 1.00 0.62 O ATOM 238 CB LYS A 16 25.200 1.929 5.317 1.00 1.22 C ATOM 239 CG LYS A 16 24.232 3.079 5.767 1.00 2.25 C ATOM 240 CD LYS A 16 24.273 3.300 7.313 1.00 2.42 C ATOM 241 CE LYS A 16 23.749 2.073 8.052 1.00 2.00 C ATOM 242 NZ LYS A 16 22.335 1.856 7.650 1.00 2.61 N ATOM 0 H LYS A 16 23.180 0.792 4.543 1.00 0.50 H new ATOM 0 HA LYS A 16 25.090 2.643 3.271 1.00 0.58 H new ATOM 0 HB2 LYS A 16 24.997 1.017 5.878 1.00 1.22 H new ATOM 0 HB3 LYS A 16 26.236 2.201 5.516 1.00 1.22 H new ATOM 0 HG2 LYS A 16 24.506 4.004 5.260 1.00 2.25 H new ATOM 0 HG3 LYS A 16 23.214 2.838 5.461 1.00 2.25 H new ATOM 0 HD2 LYS A 16 25.295 3.510 7.627 1.00 2.42 H new ATOM 0 HD3 LYS A 16 23.673 4.171 7.576 1.00 2.42 H new ATOM 0 HE2 LYS A 16 24.351 1.198 7.810 1.00 2.00 H new ATOM 0 HE3 LYS A 16 23.819 2.220 9.130 1.00 2.00 H new ATOM 0 HZ1 LYS A 16 21.832 1.352 8.408 1.00 2.61 H new ATOM 0 HZ2 LYS A 16 21.877 2.774 7.482 1.00 2.61 H new ATOM 0 HZ3 LYS A 16 22.305 1.289 6.778 1.00 2.61 H new ATOM 256 N THR A 17 25.608 -0.231 2.380 1.00 0.49 N ATOM 257 CA THR A 17 26.601 -1.141 1.748 1.00 0.54 C ATOM 258 C THR A 17 26.525 -1.686 0.303 1.00 0.37 C ATOM 259 O THR A 17 25.967 -2.735 0.081 1.00 0.27 O ATOM 260 CB THR A 17 26.759 -2.349 2.668 1.00 0.93 C ATOM 261 OG1 THR A 17 27.283 -1.882 3.895 1.00 1.53 O ATOM 262 CG2 THR A 17 27.897 -3.201 2.167 1.00 0.92 C ATOM 0 H THR A 17 24.632 -0.437 2.168 1.00 0.49 H new ATOM 0 HA THR A 17 27.419 -0.431 1.624 1.00 0.54 H new ATOM 0 HB THR A 17 25.803 -2.869 2.731 1.00 0.93 H new ATOM 0 HG1 THR A 17 27.395 -2.636 4.511 1.00 1.53 H new ATOM 0 HG21 THR A 17 28.017 -4.067 2.818 1.00 0.92 H new ATOM 0 HG22 THR A 17 27.681 -3.537 1.153 1.00 0.92 H new ATOM 0 HG23 THR A 17 28.817 -2.616 2.167 1.00 0.92 H new ATOM 270 N LYS A 18 27.052 -0.957 -0.636 1.00 0.42 N ATOM 271 CA LYS A 18 27.111 -1.359 -2.089 1.00 0.53 C ATOM 272 C LYS A 18 26.854 -2.885 -2.290 1.00 0.45 C ATOM 273 O LYS A 18 27.779 -3.669 -2.210 1.00 0.60 O ATOM 274 CB LYS A 18 28.523 -0.928 -2.564 1.00 0.86 C ATOM 275 CG LYS A 18 28.909 -1.525 -3.915 1.00 0.48 C ATOM 276 CD LYS A 18 27.992 -0.982 -5.019 1.00 1.77 C ATOM 277 CE LYS A 18 28.353 -1.705 -6.300 1.00 2.84 C ATOM 278 NZ LYS A 18 27.969 -3.129 -6.127 1.00 2.93 N ATOM 0 H LYS A 18 27.471 -0.045 -0.454 1.00 0.42 H new ATOM 0 HA LYS A 18 26.327 -0.878 -2.674 1.00 0.53 H new ATOM 0 HB2 LYS A 18 28.561 0.159 -2.630 1.00 0.86 H new ATOM 0 HB3 LYS A 18 29.258 -1.228 -1.817 1.00 0.86 H new ATOM 0 HG2 LYS A 18 29.947 -1.284 -4.144 1.00 0.48 H new ATOM 0 HG3 LYS A 18 28.836 -2.612 -3.874 1.00 0.48 H new ATOM 0 HD2 LYS A 18 26.945 -1.149 -4.766 1.00 1.77 H new ATOM 0 HD3 LYS A 18 28.125 0.094 -5.134 1.00 1.77 H new ATOM 0 HE2 LYS A 18 27.829 -1.266 -7.149 1.00 2.84 H new ATOM 0 HE3 LYS A 18 29.420 -1.617 -6.503 1.00 2.84 H new ATOM 0 HZ1 LYS A 18 28.730 -3.740 -6.486 1.00 2.93 H new ATOM 0 HZ2 LYS A 18 27.813 -3.326 -5.118 1.00 2.93 H new ATOM 0 HZ3 LYS A 18 27.094 -3.319 -6.656 1.00 2.93 H new ATOM 292 N PRO A 19 25.621 -3.260 -2.531 1.00 0.25 N ATOM 293 CA PRO A 19 25.231 -4.682 -2.738 1.00 0.10 C ATOM 294 C PRO A 19 25.929 -5.391 -3.898 1.00 0.15 C ATOM 295 O PRO A 19 26.585 -4.757 -4.701 1.00 0.24 O ATOM 296 CB PRO A 19 23.720 -4.603 -2.908 1.00 0.14 C ATOM 297 CG PRO A 19 23.363 -3.299 -2.145 1.00 0.26 C ATOM 298 CD PRO A 19 24.449 -2.358 -2.612 1.00 0.29 C ATOM 0 HA PRO A 19 25.545 -5.304 -1.900 1.00 0.10 H new ATOM 0 HB2 PRO A 19 23.432 -4.550 -3.958 1.00 0.14 H new ATOM 0 HB3 PRO A 19 23.218 -5.472 -2.483 1.00 0.14 H new ATOM 0 HG2 PRO A 19 22.368 -2.935 -2.402 1.00 0.26 H new ATOM 0 HG3 PRO A 19 23.381 -3.440 -1.064 1.00 0.26 H new ATOM 0 HD2 PRO A 19 24.275 -1.990 -3.623 1.00 0.29 H new ATOM 0 HD3 PRO A 19 24.550 -1.485 -1.968 1.00 0.29 H new ATOM 306 N ALA A 20 25.781 -6.688 -4.000 1.00 0.09 N ATOM 307 CA ALA A 20 26.452 -7.407 -5.128 1.00 0.13 C ATOM 308 C ALA A 20 25.793 -6.918 -6.427 1.00 0.21 C ATOM 309 O ALA A 20 24.612 -7.099 -6.666 1.00 0.44 O ATOM 310 CB ALA A 20 26.247 -8.905 -4.981 1.00 0.19 C ATOM 0 H ALA A 20 25.236 -7.272 -3.365 1.00 0.09 H new ATOM 0 HA ALA A 20 27.524 -7.209 -5.133 1.00 0.13 H new ATOM 0 HB1 ALA A 20 26.738 -9.422 -5.805 1.00 0.19 H new ATOM 0 HB2 ALA A 20 26.675 -9.240 -4.036 1.00 0.19 H new ATOM 0 HB3 ALA A 20 25.180 -9.129 -4.996 1.00 0.19 H new ATOM 316 N ASP A 21 26.599 -6.297 -7.227 1.00 0.17 N ATOM 317 CA ASP A 21 26.138 -5.746 -8.529 1.00 0.13 C ATOM 318 C ASP A 21 25.080 -6.618 -9.260 1.00 0.12 C ATOM 319 O ASP A 21 24.222 -6.039 -9.879 1.00 0.22 O ATOM 320 CB ASP A 21 27.445 -5.488 -9.312 1.00 0.28 C ATOM 321 CG ASP A 21 28.330 -4.604 -8.427 1.00 0.46 C ATOM 322 OD1 ASP A 21 28.987 -5.108 -7.531 1.00 1.53 O ATOM 323 OD2 ASP A 21 28.310 -3.411 -8.660 1.00 1.28 O ATOM 0 H ASP A 21 27.588 -6.142 -7.031 1.00 0.17 H new ATOM 0 HA ASP A 21 25.567 -4.826 -8.407 1.00 0.13 H new ATOM 0 HB2 ASP A 21 27.947 -6.427 -9.544 1.00 0.28 H new ATOM 0 HB3 ASP A 21 27.235 -4.996 -10.262 1.00 0.28 H new ATOM 328 N GLU A 22 25.115 -7.928 -9.204 1.00 0.16 N ATOM 329 CA GLU A 22 24.085 -8.773 -9.888 1.00 0.34 C ATOM 330 C GLU A 22 22.736 -8.617 -9.129 1.00 0.43 C ATOM 331 O GLU A 22 21.668 -8.563 -9.715 1.00 0.49 O ATOM 332 CB GLU A 22 24.577 -10.247 -9.887 1.00 0.53 C ATOM 333 CG GLU A 22 25.758 -10.398 -10.889 1.00 0.60 C ATOM 334 CD GLU A 22 26.393 -11.794 -10.794 1.00 0.76 C ATOM 335 OE1 GLU A 22 27.260 -11.918 -9.946 1.00 1.31 O ATOM 336 OE2 GLU A 22 25.978 -12.643 -11.563 1.00 1.60 O ATOM 0 H GLU A 22 25.829 -8.457 -8.703 1.00 0.16 H new ATOM 0 HA GLU A 22 23.935 -8.462 -10.922 1.00 0.34 H new ATOM 0 HB2 GLU A 22 24.896 -10.535 -8.885 1.00 0.53 H new ATOM 0 HB3 GLU A 22 23.762 -10.914 -10.166 1.00 0.53 H new ATOM 0 HG2 GLU A 22 25.401 -10.227 -11.904 1.00 0.60 H new ATOM 0 HG3 GLU A 22 26.512 -9.638 -10.684 1.00 0.60 H new ATOM 343 N GLU A 23 22.807 -8.538 -7.821 1.00 0.49 N ATOM 344 CA GLU A 23 21.564 -8.375 -6.986 1.00 0.63 C ATOM 345 C GLU A 23 21.079 -6.966 -7.254 1.00 0.63 C ATOM 346 O GLU A 23 19.890 -6.690 -7.264 1.00 0.67 O ATOM 347 CB GLU A 23 21.836 -8.446 -5.485 1.00 0.57 C ATOM 348 CG GLU A 23 22.447 -9.777 -5.092 1.00 0.53 C ATOM 349 CD GLU A 23 22.766 -9.757 -3.581 1.00 0.79 C ATOM 350 OE1 GLU A 23 23.361 -8.796 -3.121 1.00 1.57 O ATOM 351 OE2 GLU A 23 22.385 -10.724 -2.952 1.00 1.05 O ATOM 0 H GLU A 23 23.676 -8.579 -7.289 1.00 0.49 H new ATOM 0 HA GLU A 23 20.864 -9.170 -7.244 1.00 0.63 H new ATOM 0 HB2 GLU A 23 22.508 -7.637 -5.198 1.00 0.57 H new ATOM 0 HB3 GLU A 23 20.905 -8.297 -4.938 1.00 0.57 H new ATOM 0 HG2 GLU A 23 21.758 -10.590 -5.321 1.00 0.53 H new ATOM 0 HG3 GLU A 23 23.356 -9.958 -5.666 1.00 0.53 H new ATOM 358 N MET A 24 22.038 -6.095 -7.465 1.00 0.56 N ATOM 359 CA MET A 24 21.699 -4.707 -7.741 1.00 0.61 C ATOM 360 C MET A 24 20.983 -4.862 -9.104 1.00 0.66 C ATOM 361 O MET A 24 19.818 -4.576 -9.201 1.00 1.00 O ATOM 362 CB MET A 24 23.047 -3.934 -7.771 1.00 0.49 C ATOM 363 CG MET A 24 23.762 -3.857 -6.423 1.00 0.49 C ATOM 364 SD MET A 24 25.287 -2.877 -6.433 1.00 0.77 S ATOM 365 CE MET A 24 24.557 -1.237 -6.661 1.00 0.50 C ATOM 0 H MET A 24 23.035 -6.308 -7.453 1.00 0.56 H new ATOM 0 HA MET A 24 21.070 -4.158 -7.040 1.00 0.61 H new ATOM 0 HB2 MET A 24 23.709 -4.412 -8.493 1.00 0.49 H new ATOM 0 HB3 MET A 24 22.863 -2.921 -8.129 1.00 0.49 H new ATOM 0 HG2 MET A 24 23.078 -3.433 -5.687 1.00 0.49 H new ATOM 0 HG3 MET A 24 23.998 -4.869 -6.093 1.00 0.49 H new ATOM 0 HE1 MET A 24 25.294 -0.473 -6.412 1.00 0.50 H new ATOM 0 HE2 MET A 24 24.247 -1.118 -7.699 1.00 0.50 H new ATOM 0 HE3 MET A 24 23.690 -1.131 -6.009 1.00 0.50 H new ATOM 375 N LEU A 25 21.674 -5.289 -10.129 1.00 0.36 N ATOM 376 CA LEU A 25 21.107 -5.494 -11.484 1.00 0.32 C ATOM 377 C LEU A 25 19.564 -5.728 -11.382 1.00 0.36 C ATOM 378 O LEU A 25 18.774 -4.981 -11.949 1.00 0.39 O ATOM 379 CB LEU A 25 21.933 -6.669 -12.025 1.00 0.29 C ATOM 380 CG LEU A 25 23.120 -6.131 -12.814 1.00 0.17 C ATOM 381 CD1 LEU A 25 24.345 -6.974 -12.946 1.00 0.30 C ATOM 382 CD2 LEU A 25 22.673 -5.761 -14.205 1.00 0.22 C ATOM 0 H LEU A 25 22.667 -5.515 -10.069 1.00 0.36 H new ATOM 0 HA LEU A 25 21.179 -4.647 -12.167 1.00 0.32 H new ATOM 0 HB2 LEU A 25 22.282 -7.292 -11.202 1.00 0.29 H new ATOM 0 HB3 LEU A 25 21.314 -7.300 -12.663 1.00 0.29 H new ATOM 0 HG LEU A 25 23.439 -5.291 -12.197 1.00 0.17 H new ATOM 0 HD11 LEU A 25 25.091 -6.442 -13.536 1.00 0.30 H new ATOM 0 HD12 LEU A 25 24.749 -7.186 -11.956 1.00 0.30 H new ATOM 0 HD13 LEU A 25 24.090 -7.911 -13.442 1.00 0.30 H new ATOM 0 HD21 LEU A 25 23.522 -5.376 -14.770 1.00 0.22 H new ATOM 0 HD22 LEU A 25 22.274 -6.643 -14.706 1.00 0.22 H new ATOM 0 HD23 LEU A 25 21.899 -4.996 -14.147 1.00 0.22 H new ATOM 394 N PHE A 26 19.187 -6.754 -10.638 1.00 0.36 N ATOM 395 CA PHE A 26 17.713 -7.021 -10.490 1.00 0.36 C ATOM 396 C PHE A 26 17.008 -5.746 -9.977 1.00 0.33 C ATOM 397 O PHE A 26 16.073 -5.224 -10.558 1.00 0.30 O ATOM 398 CB PHE A 26 17.481 -8.149 -9.478 1.00 0.40 C ATOM 399 CG PHE A 26 15.958 -8.326 -9.361 1.00 0.36 C ATOM 400 CD1 PHE A 26 15.165 -7.429 -8.650 1.00 0.81 C ATOM 401 CD2 PHE A 26 15.360 -9.386 -10.007 1.00 1.41 C ATOM 402 CE1 PHE A 26 13.804 -7.606 -8.599 1.00 0.85 C ATOM 403 CE2 PHE A 26 13.999 -9.556 -9.953 1.00 1.37 C ATOM 404 CZ PHE A 26 13.231 -8.664 -9.250 1.00 0.36 C ATOM 0 H PHE A 26 19.810 -7.394 -10.146 1.00 0.36 H new ATOM 0 HA PHE A 26 17.310 -7.311 -11.460 1.00 0.36 H new ATOM 0 HB2 PHE A 26 17.954 -9.073 -9.812 1.00 0.40 H new ATOM 0 HB3 PHE A 26 17.918 -7.898 -8.511 1.00 0.40 H new ATOM 0 HD1 PHE A 26 15.620 -6.594 -8.139 1.00 0.81 H new ATOM 0 HD2 PHE A 26 15.966 -10.088 -10.560 1.00 1.41 H new ATOM 0 HE1 PHE A 26 13.188 -6.912 -8.047 1.00 0.85 H new ATOM 0 HE2 PHE A 26 13.535 -10.388 -10.462 1.00 1.37 H new ATOM 0 HZ PHE A 26 12.160 -8.798 -9.210 1.00 0.36 H new ATOM 414 N ILE A 27 17.494 -5.285 -8.865 1.00 0.34 N ATOM 415 CA ILE A 27 16.928 -4.067 -8.247 1.00 0.33 C ATOM 416 C ILE A 27 16.860 -2.895 -9.268 1.00 0.25 C ATOM 417 O ILE A 27 15.781 -2.389 -9.480 1.00 0.18 O ATOM 418 CB ILE A 27 17.813 -3.783 -7.054 1.00 0.35 C ATOM 419 CG1 ILE A 27 17.704 -4.967 -6.030 1.00 0.35 C ATOM 420 CG2 ILE A 27 17.337 -2.455 -6.471 1.00 0.33 C ATOM 421 CD1 ILE A 27 16.719 -4.646 -4.938 1.00 0.28 C ATOM 0 H ILE A 27 18.269 -5.707 -8.353 1.00 0.34 H new ATOM 0 HA ILE A 27 15.894 -4.198 -7.928 1.00 0.33 H new ATOM 0 HB ILE A 27 18.867 -3.704 -7.322 1.00 0.35 H new ATOM 0 HG12 ILE A 27 17.394 -5.874 -6.549 1.00 0.35 H new ATOM 0 HG13 ILE A 27 18.683 -5.167 -5.594 1.00 0.35 H new ATOM 0 HG21 ILE A 27 17.945 -2.200 -5.603 1.00 0.33 H new ATOM 0 HG22 ILE A 27 17.433 -1.672 -7.223 1.00 0.33 H new ATOM 0 HG23 ILE A 27 16.293 -2.543 -6.170 1.00 0.33 H new ATOM 0 HD11 ILE A 27 16.662 -5.483 -4.242 1.00 0.28 H new ATOM 0 HD12 ILE A 27 17.044 -3.752 -4.406 1.00 0.28 H new ATOM 0 HD13 ILE A 27 15.736 -4.470 -5.375 1.00 0.28 H new ATOM 433 N TYR A 28 17.960 -2.472 -9.863 1.00 0.27 N ATOM 434 CA TYR A 28 17.845 -1.326 -10.864 1.00 0.18 C ATOM 435 C TYR A 28 16.727 -1.579 -11.871 1.00 0.11 C ATOM 436 O TYR A 28 15.840 -0.759 -11.997 1.00 0.08 O ATOM 437 CB TYR A 28 19.107 -1.133 -11.698 1.00 0.17 C ATOM 438 CG TYR A 28 19.080 0.118 -12.606 1.00 0.09 C ATOM 439 CD1 TYR A 28 19.352 1.363 -12.076 1.00 2.08 C ATOM 440 CD2 TYR A 28 18.830 0.025 -13.963 1.00 1.67 C ATOM 441 CE1 TYR A 28 19.383 2.478 -12.895 1.00 2.30 C ATOM 442 CE2 TYR A 28 18.864 1.152 -14.779 1.00 1.44 C ATOM 443 CZ TYR A 28 19.150 2.393 -14.244 1.00 0.56 C ATOM 444 OH TYR A 28 19.266 3.536 -15.010 1.00 0.84 O ATOM 0 H TYR A 28 18.898 -2.845 -9.715 1.00 0.27 H new ATOM 0 HA TYR A 28 17.655 -0.445 -10.250 1.00 0.18 H new ATOM 0 HB2 TYR A 28 19.965 -1.064 -11.029 1.00 0.17 H new ATOM 0 HB3 TYR A 28 19.257 -2.016 -12.319 1.00 0.17 H new ATOM 0 HD1 TYR A 28 19.541 1.467 -11.018 1.00 2.08 H new ATOM 0 HD2 TYR A 28 18.605 -0.938 -14.397 1.00 1.67 H new ATOM 0 HE1 TYR A 28 19.597 3.443 -12.459 1.00 2.30 H new ATOM 0 HE2 TYR A 28 18.666 1.056 -15.836 1.00 1.44 H new ATOM 0 HH TYR A 28 20.187 3.868 -14.964 1.00 0.84 H new ATOM 454 N SER A 29 16.793 -2.703 -12.542 1.00 0.14 N ATOM 455 CA SER A 29 15.721 -2.996 -13.546 1.00 0.11 C ATOM 456 C SER A 29 14.347 -2.836 -12.849 1.00 0.22 C ATOM 457 O SER A 29 13.557 -1.986 -13.196 1.00 0.40 O ATOM 458 CB SER A 29 15.921 -4.432 -14.073 1.00 0.14 C ATOM 459 OG SER A 29 15.771 -5.261 -12.921 1.00 0.47 O ATOM 0 H SER A 29 17.520 -3.412 -12.444 1.00 0.14 H new ATOM 0 HA SER A 29 15.766 -2.310 -14.392 1.00 0.11 H new ATOM 0 HB2 SER A 29 15.186 -4.680 -14.838 1.00 0.14 H new ATOM 0 HB3 SER A 29 16.905 -4.555 -14.525 1.00 0.14 H new ATOM 0 HG SER A 29 16.346 -4.928 -12.201 1.00 0.47 H new ATOM 465 N HIS A 30 14.046 -3.608 -11.855 1.00 0.23 N ATOM 466 CA HIS A 30 12.717 -3.425 -11.216 1.00 0.21 C ATOM 467 C HIS A 30 12.458 -1.956 -10.734 1.00 0.24 C ATOM 468 O HIS A 30 11.439 -1.380 -11.062 1.00 0.26 O ATOM 469 CB HIS A 30 12.756 -4.510 -10.178 1.00 0.21 C ATOM 470 CG HIS A 30 12.542 -5.769 -11.023 1.00 0.11 C ATOM 471 ND1 HIS A 30 13.377 -6.279 -11.875 1.00 1.19 N ATOM 472 CD2 HIS A 30 11.444 -6.592 -11.078 1.00 1.28 C ATOM 473 CE1 HIS A 30 12.841 -7.328 -12.416 1.00 0.81 C ATOM 474 NE2 HIS A 30 11.640 -7.559 -11.949 1.00 0.79 N ATOM 0 H HIS A 30 14.639 -4.339 -11.463 1.00 0.23 H new ATOM 0 HA HIS A 30 11.850 -3.530 -11.869 1.00 0.21 H new ATOM 0 HB2 HIS A 30 13.708 -4.532 -9.647 1.00 0.21 H new ATOM 0 HB3 HIS A 30 11.975 -4.385 -9.428 1.00 0.21 H new ATOM 0 HD1 HIS A 30 14.306 -5.913 -12.085 1.00 1.19 H new ATOM 0 HD2 HIS A 30 10.547 -6.464 -10.490 1.00 1.28 H new ATOM 0 HE1 HIS A 30 13.327 -7.938 -13.163 1.00 0.81 H new ATOM 482 N TYR A 31 13.348 -1.369 -9.989 1.00 0.25 N ATOM 483 CA TYR A 31 13.229 0.035 -9.481 1.00 0.30 C ATOM 484 C TYR A 31 12.803 0.953 -10.652 1.00 0.30 C ATOM 485 O TYR A 31 11.766 1.580 -10.707 1.00 0.30 O ATOM 486 CB TYR A 31 14.597 0.506 -8.961 1.00 0.25 C ATOM 487 CG TYR A 31 14.499 1.979 -8.577 1.00 0.21 C ATOM 488 CD1 TYR A 31 13.530 2.479 -7.732 1.00 1.03 C ATOM 489 CD2 TYR A 31 15.390 2.830 -9.152 1.00 1.13 C ATOM 490 CE1 TYR A 31 13.455 3.837 -7.484 1.00 1.02 C ATOM 491 CE2 TYR A 31 15.319 4.188 -8.904 1.00 1.13 C ATOM 492 CZ TYR A 31 14.353 4.688 -8.075 1.00 0.12 C ATOM 493 OH TYR A 31 14.306 6.048 -7.879 1.00 0.10 O ATOM 0 H TYR A 31 14.207 -1.832 -9.692 1.00 0.25 H new ATOM 0 HA TYR A 31 12.493 0.075 -8.678 1.00 0.30 H new ATOM 0 HB2 TYR A 31 14.898 -0.089 -8.099 1.00 0.25 H new ATOM 0 HB3 TYR A 31 15.360 0.366 -9.727 1.00 0.25 H new ATOM 0 HD1 TYR A 31 12.827 1.807 -7.262 1.00 1.03 H new ATOM 0 HD2 TYR A 31 16.157 2.443 -9.806 1.00 1.13 H new ATOM 0 HE1 TYR A 31 12.691 4.226 -6.827 1.00 1.02 H new ATOM 0 HE2 TYR A 31 16.029 4.857 -9.367 1.00 1.13 H new ATOM 0 HH TYR A 31 15.029 6.476 -8.383 1.00 0.10 H new ATOM 503 N LYS A 32 13.686 0.972 -11.604 1.00 0.29 N ATOM 504 CA LYS A 32 13.547 1.773 -12.844 1.00 0.30 C ATOM 505 C LYS A 32 12.240 1.442 -13.585 1.00 0.27 C ATOM 506 O LYS A 32 11.595 2.292 -14.143 1.00 0.17 O ATOM 507 CB LYS A 32 14.780 1.446 -13.629 1.00 0.30 C ATOM 508 CG LYS A 32 16.076 1.889 -12.811 1.00 0.33 C ATOM 509 CD LYS A 32 16.325 3.422 -12.540 1.00 0.48 C ATOM 510 CE LYS A 32 16.597 4.162 -13.837 1.00 0.16 C ATOM 511 NZ LYS A 32 17.663 5.224 -13.662 1.00 0.39 N ATOM 0 H LYS A 32 14.550 0.431 -11.567 1.00 0.29 H new ATOM 0 HA LYS A 32 13.473 2.844 -12.658 1.00 0.30 H new ATOM 0 HB2 LYS A 32 14.817 0.376 -13.836 1.00 0.30 H new ATOM 0 HB3 LYS A 32 14.755 1.956 -14.592 1.00 0.30 H new ATOM 0 HG2 LYS A 32 16.042 1.386 -11.845 1.00 0.33 H new ATOM 0 HG3 LYS A 32 16.947 1.503 -13.341 1.00 0.33 H new ATOM 0 HD2 LYS A 32 15.455 3.854 -12.045 1.00 0.48 H new ATOM 0 HD3 LYS A 32 17.170 3.543 -11.863 1.00 0.48 H new ATOM 0 HE2 LYS A 32 16.912 3.452 -14.602 1.00 0.16 H new ATOM 0 HE3 LYS A 32 15.676 4.625 -14.192 1.00 0.16 H new ATOM 0 HZ1 LYS A 32 17.337 6.116 -14.085 1.00 0.39 H new ATOM 0 HZ2 LYS A 32 17.847 5.368 -12.649 1.00 0.39 H new ATOM 0 HZ3 LYS A 32 18.538 4.918 -14.133 1.00 0.39 H new ATOM 525 N GLN A 33 11.870 0.203 -13.615 1.00 0.48 N ATOM 526 CA GLN A 33 10.606 -0.208 -14.308 1.00 0.51 C ATOM 527 C GLN A 33 9.340 0.192 -13.600 1.00 0.48 C ATOM 528 O GLN A 33 8.293 0.301 -14.207 1.00 0.98 O ATOM 529 CB GLN A 33 10.765 -1.674 -14.492 1.00 0.66 C ATOM 530 CG GLN A 33 11.655 -1.880 -15.724 1.00 1.47 C ATOM 531 CD GLN A 33 12.835 -0.917 -15.684 1.00 3.89 C ATOM 532 OE1 GLN A 33 12.714 0.279 -15.869 1.00 4.46 O ATOM 533 NE2 GLN A 33 13.999 -1.390 -15.449 1.00 5.69 N ATOM 0 H GLN A 33 12.390 -0.563 -13.186 1.00 0.48 H new ATOM 0 HA GLN A 33 10.478 0.315 -15.256 1.00 0.51 H new ATOM 0 HB2 GLN A 33 11.218 -2.126 -13.610 1.00 0.66 H new ATOM 0 HB3 GLN A 33 9.796 -2.152 -14.633 1.00 0.66 H new ATOM 0 HG2 GLN A 33 12.016 -2.908 -15.754 1.00 1.47 H new ATOM 0 HG3 GLN A 33 11.075 -1.719 -16.633 1.00 1.47 H new ATOM 0 HE21 GLN A 33 14.121 -2.390 -15.291 1.00 5.69 H new ATOM 0 HE22 GLN A 33 14.806 -0.767 -15.419 1.00 5.69 H new ATOM 542 N ALA A 34 9.492 0.386 -12.327 1.00 0.30 N ATOM 543 CA ALA A 34 8.367 0.802 -11.446 1.00 0.23 C ATOM 544 C ALA A 34 8.227 2.341 -11.572 1.00 0.12 C ATOM 545 O ALA A 34 7.151 2.899 -11.566 1.00 0.20 O ATOM 546 CB ALA A 34 8.761 0.385 -10.090 1.00 0.23 C ATOM 0 H ALA A 34 10.381 0.270 -11.840 1.00 0.30 H new ATOM 0 HA ALA A 34 7.405 0.359 -11.701 1.00 0.23 H new ATOM 0 HB1 ALA A 34 7.978 0.659 -9.383 1.00 0.23 H new ATOM 0 HB2 ALA A 34 8.906 -0.695 -10.069 1.00 0.23 H new ATOM 0 HB3 ALA A 34 9.691 0.882 -9.812 1.00 0.23 H new ATOM 552 N THR A 35 9.370 2.961 -11.681 1.00 0.07 N ATOM 553 CA THR A 35 9.522 4.457 -11.819 1.00 0.26 C ATOM 554 C THR A 35 9.474 4.854 -13.304 1.00 0.39 C ATOM 555 O THR A 35 8.532 5.496 -13.725 1.00 0.57 O ATOM 556 CB THR A 35 10.884 4.856 -11.191 1.00 0.41 C ATOM 557 OG1 THR A 35 11.783 3.999 -11.871 1.00 0.45 O ATOM 558 CG2 THR A 35 10.990 4.400 -9.753 1.00 0.32 C ATOM 0 H THR A 35 10.263 2.467 -11.681 1.00 0.07 H new ATOM 0 HA THR A 35 8.710 4.975 -11.308 1.00 0.26 H new ATOM 0 HB THR A 35 11.044 5.933 -11.252 1.00 0.41 H new ATOM 0 HG1 THR A 35 12.012 3.240 -11.294 1.00 0.45 H new ATOM 0 HG21 THR A 35 11.957 4.697 -9.347 1.00 0.32 H new ATOM 0 HG22 THR A 35 10.194 4.858 -9.166 1.00 0.32 H new ATOM 0 HG23 THR A 35 10.896 3.315 -9.707 1.00 0.32 H new ATOM 566 N VAL A 36 10.457 4.449 -14.058 1.00 0.37 N ATOM 567 CA VAL A 36 10.553 4.756 -15.528 1.00 0.58 C ATOM 568 C VAL A 36 9.631 3.828 -16.324 1.00 0.78 C ATOM 569 O VAL A 36 8.653 4.248 -16.901 1.00 0.96 O ATOM 570 CB VAL A 36 11.970 4.498 -16.151 1.00 0.59 C ATOM 571 CG1 VAL A 36 11.969 5.149 -17.571 1.00 0.70 C ATOM 572 CG2 VAL A 36 13.167 4.953 -15.400 1.00 0.66 C ATOM 0 H VAL A 36 11.236 3.892 -13.706 1.00 0.37 H new ATOM 0 HA VAL A 36 10.296 5.813 -15.593 1.00 0.58 H new ATOM 0 HB VAL A 36 12.089 3.415 -16.144 1.00 0.59 H new ATOM 0 HG11 VAL A 36 12.939 4.993 -18.043 1.00 0.70 H new ATOM 0 HG12 VAL A 36 11.191 4.690 -18.181 1.00 0.70 H new ATOM 0 HG13 VAL A 36 11.777 6.218 -17.481 1.00 0.70 H new ATOM 0 HG21 VAL A 36 14.066 4.701 -15.962 1.00 0.66 H new ATOM 0 HG22 VAL A 36 13.118 6.033 -15.257 1.00 0.66 H new ATOM 0 HG23 VAL A 36 13.196 4.460 -14.429 1.00 0.66 H new ATOM 582 N GLY A 37 9.988 2.580 -16.311 1.00 0.81 N ATOM 583 CA GLY A 37 9.247 1.484 -17.029 1.00 0.99 C ATOM 584 C GLY A 37 10.022 0.920 -18.226 1.00 1.03 C ATOM 585 O GLY A 37 10.701 -0.091 -18.173 1.00 1.18 O ATOM 0 H GLY A 37 10.809 2.247 -15.806 1.00 0.81 H new ATOM 0 HA2 GLY A 37 9.035 0.677 -16.328 1.00 0.99 H new ATOM 0 HA3 GLY A 37 8.287 1.868 -17.373 1.00 0.99 H new ATOM 589 N ASP A 38 9.891 1.667 -19.277 1.00 0.88 N ATOM 590 CA ASP A 38 10.526 1.329 -20.566 1.00 0.84 C ATOM 591 C ASP A 38 11.829 2.057 -20.844 1.00 0.85 C ATOM 592 O ASP A 38 11.973 3.232 -20.569 1.00 0.81 O ATOM 593 CB ASP A 38 9.378 1.598 -21.527 1.00 1.15 C ATOM 594 CG ASP A 38 8.462 0.374 -21.555 1.00 1.53 C ATOM 595 OD1 ASP A 38 8.138 -0.174 -20.500 1.00 2.45 O ATOM 596 OD2 ASP A 38 8.143 0.057 -22.690 1.00 1.42 O ATOM 0 H ASP A 38 9.348 2.531 -19.293 1.00 0.88 H new ATOM 0 HA ASP A 38 10.903 0.308 -20.633 1.00 0.84 H new ATOM 0 HB2 ASP A 38 8.820 2.480 -21.211 1.00 1.15 H new ATOM 0 HB3 ASP A 38 9.762 1.805 -22.526 1.00 1.15 H new ATOM 601 N ILE A 39 12.759 1.343 -21.410 1.00 0.99 N ATOM 602 CA ILE A 39 14.065 1.973 -21.695 1.00 1.07 C ATOM 603 C ILE A 39 14.115 2.791 -22.991 1.00 1.20 C ATOM 604 O ILE A 39 13.908 2.335 -24.098 1.00 1.27 O ATOM 605 CB ILE A 39 15.086 0.812 -21.654 1.00 1.05 C ATOM 606 CG1 ILE A 39 16.522 1.353 -21.595 1.00 1.01 C ATOM 607 CG2 ILE A 39 14.955 -0.076 -22.889 1.00 1.06 C ATOM 608 CD1 ILE A 39 17.358 0.257 -20.951 1.00 0.80 C ATOM 0 H ILE A 39 12.670 0.364 -21.683 1.00 0.99 H new ATOM 0 HA ILE A 39 14.292 2.737 -20.952 1.00 1.07 H new ATOM 0 HB ILE A 39 14.874 0.227 -20.759 1.00 1.05 H new ATOM 0 HG12 ILE A 39 16.891 1.589 -22.593 1.00 1.01 H new ATOM 0 HG13 ILE A 39 16.569 2.273 -21.012 1.00 1.01 H new ATOM 0 HG21 ILE A 39 15.684 -0.884 -22.835 1.00 1.06 H new ATOM 0 HG22 ILE A 39 13.950 -0.496 -22.930 1.00 1.06 H new ATOM 0 HG23 ILE A 39 15.137 0.518 -23.785 1.00 1.06 H new ATOM 0 HD11 ILE A 39 18.395 0.584 -20.881 1.00 0.80 H new ATOM 0 HD12 ILE A 39 16.976 0.047 -19.952 1.00 0.80 H new ATOM 0 HD13 ILE A 39 17.303 -0.647 -21.558 1.00 0.80 H new ATOM 620 N ASN A 40 14.390 4.037 -22.729 1.00 1.24 N ATOM 621 CA ASN A 40 14.519 5.103 -23.770 1.00 1.37 C ATOM 622 C ASN A 40 15.861 5.841 -23.507 1.00 1.37 C ATOM 623 O ASN A 40 15.994 7.039 -23.653 1.00 1.42 O ATOM 624 CB ASN A 40 13.254 5.981 -23.597 1.00 1.47 C ATOM 625 CG ASN A 40 13.142 6.543 -22.181 1.00 1.20 C ATOM 626 OD1 ASN A 40 13.509 7.657 -21.897 1.00 1.26 O ATOM 627 ND2 ASN A 40 12.650 5.844 -21.211 1.00 1.26 N ATOM 0 H ASN A 40 14.539 4.380 -21.780 1.00 1.24 H new ATOM 0 HA ASN A 40 14.560 4.756 -24.802 1.00 1.37 H new ATOM 0 HB2 ASN A 40 13.281 6.803 -24.313 1.00 1.47 H new ATOM 0 HB3 ASN A 40 12.367 5.389 -23.824 1.00 1.47 H new ATOM 0 HD21 ASN A 40 12.591 6.243 -20.274 1.00 1.26 H new ATOM 0 HD22 ASN A 40 12.321 4.894 -21.383 1.00 1.26 H new ATOM 634 N THR A 41 16.824 5.041 -23.118 1.00 1.33 N ATOM 635 CA THR A 41 18.214 5.533 -22.794 1.00 1.34 C ATOM 636 C THR A 41 19.301 4.718 -23.529 1.00 1.29 C ATOM 637 O THR A 41 18.987 3.737 -24.171 1.00 1.23 O ATOM 638 CB THR A 41 18.417 5.422 -21.257 1.00 1.17 C ATOM 639 OG1 THR A 41 18.510 4.028 -21.002 1.00 0.85 O ATOM 640 CG2 THR A 41 17.116 5.683 -20.486 1.00 1.22 C ATOM 0 H THR A 41 16.706 4.034 -23.006 1.00 1.33 H new ATOM 0 HA THR A 41 18.311 6.566 -23.127 1.00 1.34 H new ATOM 0 HB THR A 41 19.236 6.086 -20.982 1.00 1.17 H new ATOM 0 HG1 THR A 41 19.453 3.764 -20.966 1.00 0.85 H new ATOM 0 HG21 THR A 41 17.303 5.595 -19.416 1.00 1.22 H new ATOM 0 HG22 THR A 41 16.755 6.687 -20.710 1.00 1.22 H new ATOM 0 HG23 THR A 41 16.364 4.952 -20.784 1.00 1.22 H new ATOM 648 N GLU A 42 20.557 5.091 -23.426 1.00 1.34 N ATOM 649 CA GLU A 42 21.673 4.340 -24.118 1.00 1.30 C ATOM 650 C GLU A 42 22.537 3.454 -23.161 1.00 0.99 C ATOM 651 O GLU A 42 22.376 3.516 -21.958 1.00 0.91 O ATOM 652 CB GLU A 42 22.509 5.414 -24.810 1.00 1.57 C ATOM 653 CG GLU A 42 23.432 6.118 -23.781 1.00 0.77 C ATOM 654 CD GLU A 42 24.064 7.359 -24.408 1.00 1.09 C ATOM 655 OE1 GLU A 42 23.385 8.370 -24.351 1.00 1.22 O ATOM 656 OE2 GLU A 42 25.169 7.215 -24.900 1.00 1.49 O ATOM 0 H GLU A 42 20.867 5.897 -22.884 1.00 1.34 H new ATOM 0 HA GLU A 42 21.260 3.617 -24.821 1.00 1.30 H new ATOM 0 HB2 GLU A 42 23.110 4.965 -25.601 1.00 1.57 H new ATOM 0 HB3 GLU A 42 21.855 6.146 -25.283 1.00 1.57 H new ATOM 0 HG2 GLU A 42 22.858 6.399 -22.898 1.00 0.77 H new ATOM 0 HG3 GLU A 42 24.211 5.431 -23.450 1.00 0.77 H new ATOM 663 N ARG A 43 23.425 2.681 -23.739 1.00 0.87 N ATOM 664 CA ARG A 43 24.337 1.747 -22.987 1.00 0.51 C ATOM 665 C ARG A 43 25.830 2.181 -22.721 1.00 0.55 C ATOM 666 O ARG A 43 26.659 2.050 -23.599 1.00 0.61 O ATOM 667 CB ARG A 43 24.254 0.433 -23.773 1.00 0.50 C ATOM 668 CG ARG A 43 24.989 -0.669 -22.998 1.00 0.49 C ATOM 669 CD ARG A 43 24.574 -1.993 -23.587 1.00 0.97 C ATOM 670 NE ARG A 43 25.141 -3.072 -22.711 1.00 1.37 N ATOM 671 CZ ARG A 43 25.768 -4.072 -23.183 1.00 1.86 C ATOM 672 NH1 ARG A 43 26.964 -3.924 -23.594 1.00 2.89 N ATOM 673 NH2 ARG A 43 25.102 -5.151 -23.184 1.00 1.76 N ATOM 0 H ARG A 43 23.563 2.656 -24.749 1.00 0.87 H new ATOM 0 HA ARG A 43 23.986 1.700 -21.956 1.00 0.51 H new ATOM 0 HB2 ARG A 43 23.212 0.153 -23.926 1.00 0.50 H new ATOM 0 HB3 ARG A 43 24.699 0.558 -24.760 1.00 0.50 H new ATOM 0 HG2 ARG A 43 26.068 -0.537 -23.075 1.00 0.49 H new ATOM 0 HG3 ARG A 43 24.737 -0.625 -21.938 1.00 0.49 H new ATOM 0 HD2 ARG A 43 23.488 -2.068 -23.634 1.00 0.97 H new ATOM 0 HD3 ARG A 43 24.945 -2.092 -24.607 1.00 0.97 H new ATOM 0 HE ARG A 43 25.019 -3.000 -21.701 1.00 1.37 H new ATOM 0 HH11 ARG A 43 27.411 -3.009 -23.543 1.00 2.89 H new ATOM 0 HH12 ARG A 43 27.475 -4.721 -23.974 1.00 2.89 H new ATOM 0 HH21 ARG A 43 24.147 -5.161 -22.825 1.00 1.76 H new ATOM 0 HH22 ARG A 43 25.521 -6.009 -23.544 1.00 1.76 H new ATOM 687 N PRO A 44 26.133 2.668 -21.528 1.00 0.60 N ATOM 688 CA PRO A 44 27.509 3.142 -21.082 1.00 0.71 C ATOM 689 C PRO A 44 28.857 2.494 -21.551 1.00 0.65 C ATOM 690 O PRO A 44 28.895 1.543 -22.309 1.00 0.72 O ATOM 691 CB PRO A 44 27.308 3.183 -19.500 1.00 0.80 C ATOM 692 CG PRO A 44 25.863 3.821 -19.541 1.00 0.97 C ATOM 693 CD PRO A 44 25.140 2.829 -20.433 1.00 0.64 C ATOM 0 HA PRO A 44 27.734 4.068 -21.611 1.00 0.71 H new ATOM 0 HB2 PRO A 44 27.336 2.199 -19.032 1.00 0.80 H new ATOM 0 HB3 PRO A 44 28.042 3.802 -18.984 1.00 0.80 H new ATOM 0 HG2 PRO A 44 25.413 3.890 -18.550 1.00 0.97 H new ATOM 0 HG3 PRO A 44 25.867 4.827 -19.960 1.00 0.97 H new ATOM 0 HD2 PRO A 44 24.931 1.889 -19.922 1.00 0.64 H new ATOM 0 HD3 PRO A 44 24.186 3.215 -20.793 1.00 0.64 H new ATOM 701 N GLY A 45 29.953 3.040 -21.045 1.00 0.56 N ATOM 702 CA GLY A 45 31.356 2.551 -21.398 1.00 0.59 C ATOM 703 C GLY A 45 32.259 1.646 -20.488 1.00 0.90 C ATOM 704 O GLY A 45 32.518 0.547 -20.930 1.00 1.51 O ATOM 0 H GLY A 45 29.940 3.820 -20.388 1.00 0.56 H new ATOM 0 HA2 GLY A 45 31.256 2.017 -22.343 1.00 0.59 H new ATOM 0 HA3 GLY A 45 31.942 3.448 -21.600 1.00 0.59 H new ATOM 708 N MET A 46 32.698 2.047 -19.313 1.00 0.95 N ATOM 709 CA MET A 46 33.589 1.205 -18.411 1.00 1.50 C ATOM 710 C MET A 46 33.241 -0.309 -18.232 1.00 2.09 C ATOM 711 O MET A 46 33.229 -1.074 -19.176 1.00 2.95 O ATOM 712 CB MET A 46 33.616 1.973 -17.043 1.00 1.82 C ATOM 713 CG MET A 46 32.195 2.139 -16.449 1.00 1.98 C ATOM 714 SD MET A 46 30.974 3.084 -17.393 1.00 2.51 S ATOM 715 CE MET A 46 31.429 4.750 -16.845 1.00 1.36 C ATOM 0 H MET A 46 32.470 2.960 -18.919 1.00 0.95 H new ATOM 0 HA MET A 46 34.561 1.113 -18.895 1.00 1.50 H new ATOM 0 HB2 MET A 46 34.245 1.433 -16.335 1.00 1.82 H new ATOM 0 HB3 MET A 46 34.067 2.955 -17.186 1.00 1.82 H new ATOM 0 HG2 MET A 46 31.786 1.142 -16.281 1.00 1.98 H new ATOM 0 HG3 MET A 46 32.297 2.610 -15.471 1.00 1.98 H new ATOM 0 HE1 MET A 46 30.779 5.481 -17.325 1.00 1.36 H new ATOM 0 HE2 MET A 46 31.317 4.820 -15.763 1.00 1.36 H new ATOM 0 HE3 MET A 46 32.465 4.952 -17.116 1.00 1.36 H new ATOM 725 N LEU A 47 32.953 -0.734 -17.028 1.00 2.12 N ATOM 726 CA LEU A 47 32.598 -2.175 -16.785 1.00 2.63 C ATOM 727 C LEU A 47 31.149 -2.216 -17.297 1.00 2.12 C ATOM 728 O LEU A 47 30.574 -1.186 -17.620 1.00 1.76 O ATOM 729 CB LEU A 47 32.477 -2.562 -15.298 1.00 3.27 C ATOM 730 CG LEU A 47 33.618 -2.355 -14.312 1.00 3.31 C ATOM 731 CD1 LEU A 47 33.664 -0.851 -13.916 1.00 1.99 C ATOM 732 CD2 LEU A 47 33.218 -3.183 -13.021 1.00 4.01 C ATOM 0 H LEU A 47 32.947 -0.145 -16.195 1.00 2.12 H new ATOM 0 HA LEU A 47 33.348 -2.825 -17.234 1.00 2.63 H new ATOM 0 HB2 LEU A 47 31.618 -2.020 -14.902 1.00 3.27 H new ATOM 0 HB3 LEU A 47 32.226 -3.622 -15.269 1.00 3.27 H new ATOM 0 HG LEU A 47 34.578 -2.659 -14.728 1.00 3.31 H new ATOM 0 HD11 LEU A 47 34.477 -0.686 -13.209 1.00 1.99 H new ATOM 0 HD12 LEU A 47 33.829 -0.245 -14.807 1.00 1.99 H new ATOM 0 HD13 LEU A 47 32.718 -0.567 -13.454 1.00 1.99 H new ATOM 0 HD21 LEU A 47 33.997 -3.079 -12.266 1.00 4.01 H new ATOM 0 HD22 LEU A 47 32.276 -2.805 -12.624 1.00 4.01 H new ATOM 0 HD23 LEU A 47 33.105 -4.235 -13.284 1.00 4.01 H new ATOM 744 N ASP A 48 30.516 -3.349 -17.398 1.00 3.11 N ATOM 745 CA ASP A 48 29.103 -3.296 -17.884 1.00 2.84 C ATOM 746 C ASP A 48 28.294 -2.977 -16.605 1.00 2.08 C ATOM 747 O ASP A 48 27.337 -3.659 -16.318 1.00 2.75 O ATOM 748 CB ASP A 48 28.721 -4.686 -18.503 1.00 4.10 C ATOM 749 CG ASP A 48 29.043 -4.801 -20.001 1.00 4.21 C ATOM 750 OD1 ASP A 48 29.650 -3.874 -20.518 1.00 3.58 O ATOM 751 OD2 ASP A 48 28.667 -5.816 -20.560 1.00 5.01 O ATOM 0 H ASP A 48 30.890 -4.272 -17.178 1.00 3.11 H new ATOM 0 HA ASP A 48 28.919 -2.558 -18.665 1.00 2.84 H new ATOM 0 HB2 ASP A 48 29.250 -5.472 -17.965 1.00 4.10 H new ATOM 0 HB3 ASP A 48 27.655 -4.860 -18.354 1.00 4.10 H new ATOM 756 N PHE A 49 28.674 -1.943 -15.878 1.00 1.58 N ATOM 757 CA PHE A 49 27.945 -1.597 -14.605 1.00 2.27 C ATOM 758 C PHE A 49 26.895 -0.522 -14.390 1.00 2.28 C ATOM 759 O PHE A 49 25.783 -0.635 -14.855 1.00 2.30 O ATOM 760 CB PHE A 49 29.022 -1.388 -13.516 1.00 2.90 C ATOM 761 CG PHE A 49 29.499 -2.736 -13.073 1.00 1.30 C ATOM 762 CD1 PHE A 49 30.093 -3.602 -13.949 1.00 0.60 C ATOM 763 CD2 PHE A 49 29.347 -3.083 -11.765 1.00 2.12 C ATOM 764 CE1 PHE A 49 30.548 -4.809 -13.544 1.00 2.10 C ATOM 765 CE2 PHE A 49 29.792 -4.287 -11.347 1.00 2.09 C ATOM 766 CZ PHE A 49 30.396 -5.152 -12.230 1.00 2.35 C ATOM 0 H PHE A 49 29.453 -1.327 -16.110 1.00 1.58 H new ATOM 0 HA PHE A 49 27.266 -2.450 -14.607 1.00 2.27 H new ATOM 0 HB2 PHE A 49 29.852 -0.800 -13.908 1.00 2.90 H new ATOM 0 HB3 PHE A 49 28.609 -0.834 -12.673 1.00 2.90 H new ATOM 0 HD1 PHE A 49 30.201 -3.316 -14.985 1.00 0.60 H new ATOM 0 HD2 PHE A 49 28.876 -2.403 -11.070 1.00 2.12 H new ATOM 0 HE1 PHE A 49 31.020 -5.485 -14.242 1.00 2.10 H new ATOM 0 HE2 PHE A 49 29.673 -4.573 -10.312 1.00 2.09 H new ATOM 0 HZ PHE A 49 30.753 -6.110 -11.882 1.00 2.35 H new ATOM 776 N LYS A 50 27.248 0.536 -13.708 1.00 2.37 N ATOM 777 CA LYS A 50 26.265 1.618 -13.423 1.00 2.55 C ATOM 778 C LYS A 50 25.631 2.219 -14.636 1.00 2.23 C ATOM 779 O LYS A 50 24.774 3.067 -14.524 1.00 2.74 O ATOM 780 CB LYS A 50 26.998 2.720 -12.610 1.00 2.79 C ATOM 781 CG LYS A 50 26.185 3.843 -11.751 1.00 3.54 C ATOM 782 CD LYS A 50 25.396 5.062 -12.484 1.00 4.50 C ATOM 783 CE LYS A 50 25.369 6.353 -11.491 1.00 4.96 C ATOM 784 NZ LYS A 50 24.403 7.454 -11.895 1.00 6.37 N ATOM 0 H LYS A 50 28.183 0.696 -13.334 1.00 2.37 H new ATOM 0 HA LYS A 50 25.442 1.170 -12.866 1.00 2.55 H new ATOM 0 HB2 LYS A 50 27.660 2.208 -11.912 1.00 2.79 H new ATOM 0 HB3 LYS A 50 27.632 3.260 -13.313 1.00 2.79 H new ATOM 0 HG2 LYS A 50 25.453 3.310 -11.145 1.00 3.54 H new ATOM 0 HG3 LYS A 50 26.900 4.295 -11.063 1.00 3.54 H new ATOM 0 HD2 LYS A 50 25.889 5.319 -13.422 1.00 4.50 H new ATOM 0 HD3 LYS A 50 24.379 4.757 -12.732 1.00 4.50 H new ATOM 0 HE2 LYS A 50 25.112 6.015 -10.487 1.00 4.96 H new ATOM 0 HE3 LYS A 50 26.373 6.773 -11.438 1.00 4.96 H new ATOM 0 HZ1 LYS A 50 24.939 8.290 -12.204 1.00 6.37 H new ATOM 0 HZ2 LYS A 50 23.802 7.120 -12.675 1.00 6.37 H new ATOM 0 HZ3 LYS A 50 23.806 7.707 -11.082 1.00 6.37 H new ATOM 798 N GLY A 51 26.116 1.779 -15.748 1.00 1.47 N ATOM 799 CA GLY A 51 25.578 2.253 -17.000 1.00 1.17 C ATOM 800 C GLY A 51 25.012 1.011 -17.701 1.00 0.70 C ATOM 801 O GLY A 51 23.806 0.846 -17.729 1.00 0.45 O ATOM 0 H GLY A 51 26.874 1.101 -15.827 1.00 1.47 H new ATOM 0 HA2 GLY A 51 24.800 2.999 -16.835 1.00 1.17 H new ATOM 0 HA3 GLY A 51 26.351 2.727 -17.605 1.00 1.17 H new ATOM 805 N LYS A 52 25.862 0.161 -18.227 1.00 0.70 N ATOM 806 CA LYS A 52 25.309 -1.054 -18.912 1.00 0.40 C ATOM 807 C LYS A 52 24.410 -1.875 -17.982 1.00 0.47 C ATOM 808 O LYS A 52 23.226 -1.823 -18.208 1.00 0.44 O ATOM 809 CB LYS A 52 26.463 -1.939 -19.402 1.00 0.58 C ATOM 810 CG LYS A 52 27.328 -1.298 -20.511 1.00 0.82 C ATOM 811 CD LYS A 52 28.477 -0.397 -19.969 1.00 1.55 C ATOM 812 CE LYS A 52 29.718 -0.569 -20.899 1.00 2.06 C ATOM 813 NZ LYS A 52 30.718 -1.476 -20.279 1.00 2.10 N ATOM 0 H LYS A 52 26.878 0.247 -18.215 1.00 0.70 H new ATOM 0 HA LYS A 52 24.706 -0.712 -19.753 1.00 0.40 H new ATOM 0 HB2 LYS A 52 27.103 -2.184 -18.554 1.00 0.58 H new ATOM 0 HB3 LYS A 52 26.053 -2.878 -19.774 1.00 0.58 H new ATOM 0 HG2 LYS A 52 27.758 -2.088 -21.126 1.00 0.82 H new ATOM 0 HG3 LYS A 52 26.687 -0.702 -21.160 1.00 0.82 H new ATOM 0 HD2 LYS A 52 28.162 0.646 -19.946 1.00 1.55 H new ATOM 0 HD3 LYS A 52 28.728 -0.677 -18.946 1.00 1.55 H new ATOM 0 HE2 LYS A 52 29.404 -0.971 -21.862 1.00 2.06 H new ATOM 0 HE3 LYS A 52 30.172 0.403 -21.092 1.00 2.06 H new ATOM 0 HZ1 LYS A 52 31.674 -1.197 -20.580 1.00 2.10 H new ATOM 0 HZ2 LYS A 52 30.649 -1.413 -19.243 1.00 2.10 H new ATOM 0 HZ3 LYS A 52 30.532 -2.454 -20.579 1.00 2.10 H new ATOM 827 N ALA A 53 24.970 -2.589 -17.021 1.00 0.56 N ATOM 828 CA ALA A 53 24.205 -3.429 -16.030 1.00 0.67 C ATOM 829 C ALA A 53 22.798 -2.899 -15.948 1.00 0.63 C ATOM 830 O ALA A 53 21.829 -3.512 -16.331 1.00 0.62 O ATOM 831 CB ALA A 53 24.900 -3.345 -14.633 1.00 0.88 C ATOM 0 H ALA A 53 25.980 -2.623 -16.879 1.00 0.56 H new ATOM 0 HA ALA A 53 24.186 -4.472 -16.345 1.00 0.67 H new ATOM 0 HB1 ALA A 53 24.348 -3.952 -13.915 1.00 0.88 H new ATOM 0 HB2 ALA A 53 25.922 -3.716 -14.712 1.00 0.88 H new ATOM 0 HB3 ALA A 53 24.915 -2.309 -14.296 1.00 0.88 H new ATOM 837 N LYS A 54 22.790 -1.719 -15.414 1.00 0.66 N ATOM 838 CA LYS A 54 21.535 -0.962 -15.238 1.00 0.76 C ATOM 839 C LYS A 54 20.570 -1.116 -16.448 1.00 0.41 C ATOM 840 O LYS A 54 19.472 -1.633 -16.356 1.00 0.38 O ATOM 841 CB LYS A 54 21.831 0.528 -15.142 1.00 1.08 C ATOM 842 CG LYS A 54 23.035 0.862 -14.399 1.00 0.83 C ATOM 843 CD LYS A 54 22.874 0.502 -12.982 1.00 1.03 C ATOM 844 CE LYS A 54 23.047 1.727 -12.111 1.00 1.59 C ATOM 845 NZ LYS A 54 22.053 2.722 -12.577 1.00 1.84 N ATOM 0 H LYS A 54 23.625 -1.236 -15.084 1.00 0.66 H new ATOM 0 HA LYS A 54 21.075 -1.360 -14.334 1.00 0.76 H new ATOM 0 HB2 LYS A 54 21.919 0.933 -16.150 1.00 1.08 H new ATOM 0 HB3 LYS A 54 20.981 1.024 -14.672 1.00 1.08 H new ATOM 0 HG2 LYS A 54 23.890 0.334 -14.821 1.00 0.83 H new ATOM 0 HG3 LYS A 54 23.243 1.928 -14.490 1.00 0.83 H new ATOM 0 HD2 LYS A 54 21.888 0.067 -12.819 1.00 1.03 H new ATOM 0 HD3 LYS A 54 23.607 -0.256 -12.706 1.00 1.03 H new ATOM 0 HE2 LYS A 54 22.887 1.482 -11.061 1.00 1.59 H new ATOM 0 HE3 LYS A 54 24.059 2.122 -12.195 1.00 1.59 H new ATOM 0 HZ1 LYS A 54 21.890 3.426 -11.829 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 22.412 3.198 -13.429 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 21.158 2.241 -12.800 1.00 1.84 H new ATOM 859 N TRP A 55 21.109 -0.619 -17.539 1.00 0.29 N ATOM 860 CA TRP A 55 20.467 -0.574 -18.878 1.00 0.17 C ATOM 861 C TRP A 55 19.988 -1.948 -19.314 1.00 0.12 C ATOM 862 O TRP A 55 18.825 -2.208 -19.513 1.00 0.23 O ATOM 863 CB TRP A 55 21.532 0.001 -19.827 1.00 0.20 C ATOM 864 CG TRP A 55 20.846 0.647 -20.998 1.00 0.39 C ATOM 865 CD1 TRP A 55 20.417 1.921 -20.953 1.00 0.60 C ATOM 866 CD2 TRP A 55 20.544 0.096 -22.190 1.00 0.50 C ATOM 867 NE1 TRP A 55 19.868 2.071 -22.134 1.00 0.74 N ATOM 868 CE2 TRP A 55 19.891 1.034 -22.955 1.00 0.72 C ATOM 869 CE3 TRP A 55 20.771 -1.168 -22.694 1.00 0.51 C ATOM 870 CZ2 TRP A 55 19.465 0.717 -24.222 1.00 0.92 C ATOM 871 CZ3 TRP A 55 20.347 -1.492 -23.961 1.00 0.76 C ATOM 872 CH2 TRP A 55 19.692 -0.546 -24.727 1.00 0.94 C ATOM 0 H TRP A 55 22.045 -0.213 -17.541 1.00 0.29 H new ATOM 0 HA TRP A 55 19.571 0.047 -18.875 1.00 0.17 H new ATOM 0 HB2 TRP A 55 22.149 0.731 -19.303 1.00 0.20 H new ATOM 0 HB3 TRP A 55 22.197 -0.791 -20.170 1.00 0.20 H new ATOM 0 HD1 TRP A 55 20.503 2.637 -20.149 1.00 0.60 H new ATOM 0 HE1 TRP A 55 19.439 2.954 -22.410 1.00 0.74 H new ATOM 0 HE3 TRP A 55 21.283 -1.904 -22.092 1.00 0.51 H new ATOM 0 HZ2 TRP A 55 18.953 1.455 -24.821 1.00 0.92 H new ATOM 0 HZ3 TRP A 55 20.525 -2.481 -24.356 1.00 0.76 H new ATOM 0 HH2 TRP A 55 19.357 -0.796 -25.723 1.00 0.94 H new ATOM 883 N ASP A 56 20.974 -2.776 -19.437 1.00 0.17 N ATOM 884 CA ASP A 56 20.855 -4.192 -19.843 1.00 0.33 C ATOM 885 C ASP A 56 19.717 -4.792 -19.013 1.00 0.36 C ATOM 886 O ASP A 56 18.685 -5.162 -19.541 1.00 0.36 O ATOM 887 CB ASP A 56 22.310 -4.712 -19.580 1.00 0.44 C ATOM 888 CG ASP A 56 23.096 -4.798 -20.870 1.00 0.56 C ATOM 889 OD1 ASP A 56 22.549 -5.155 -21.900 1.00 0.73 O ATOM 890 OD2 ASP A 56 24.261 -4.484 -20.756 1.00 1.91 O ATOM 0 H ASP A 56 21.939 -2.499 -19.256 1.00 0.17 H new ATOM 0 HA ASP A 56 20.578 -4.436 -20.869 1.00 0.33 H new ATOM 0 HB2 ASP A 56 22.818 -4.045 -18.884 1.00 0.44 H new ATOM 0 HB3 ASP A 56 22.270 -5.694 -19.108 1.00 0.44 H new ATOM 895 N ALA A 57 19.967 -4.840 -17.730 1.00 0.44 N ATOM 896 CA ALA A 57 19.037 -5.363 -16.683 1.00 0.60 C ATOM 897 C ALA A 57 17.623 -4.872 -16.986 1.00 0.43 C ATOM 898 O ALA A 57 16.649 -5.589 -17.080 1.00 0.49 O ATOM 899 CB ALA A 57 19.581 -4.831 -15.338 1.00 0.80 C ATOM 0 H ALA A 57 20.850 -4.510 -17.340 1.00 0.44 H new ATOM 0 HA ALA A 57 18.985 -6.451 -16.653 1.00 0.60 H new ATOM 0 HB1 ALA A 57 18.944 -5.178 -14.525 1.00 0.80 H new ATOM 0 HB2 ALA A 57 20.596 -5.198 -15.185 1.00 0.80 H new ATOM 0 HB3 ALA A 57 19.588 -3.741 -15.354 1.00 0.80 H new ATOM 905 N TRP A 58 17.600 -3.581 -17.123 1.00 0.37 N ATOM 906 CA TRP A 58 16.339 -2.877 -17.426 1.00 0.43 C ATOM 907 C TRP A 58 15.664 -3.287 -18.739 1.00 0.52 C ATOM 908 O TRP A 58 14.607 -3.873 -18.732 1.00 0.84 O ATOM 909 CB TRP A 58 16.644 -1.396 -17.467 1.00 0.68 C ATOM 910 CG TRP A 58 15.392 -0.608 -17.794 1.00 0.77 C ATOM 911 CD1 TRP A 58 14.131 -1.098 -17.907 1.00 0.88 C ATOM 912 CD2 TRP A 58 15.368 0.715 -17.951 1.00 0.71 C ATOM 913 NE1 TRP A 58 13.442 0.001 -18.114 1.00 0.85 N ATOM 914 CE2 TRP A 58 14.095 1.141 -18.165 1.00 0.76 C ATOM 915 CE3 TRP A 58 16.405 1.601 -17.919 1.00 0.64 C ATOM 916 CZ2 TRP A 58 13.831 2.469 -18.358 1.00 0.73 C ATOM 917 CZ3 TRP A 58 16.147 2.939 -18.114 1.00 0.62 C ATOM 918 CH2 TRP A 58 14.871 3.367 -18.336 1.00 0.67 C ATOM 0 H TRP A 58 18.418 -2.977 -17.036 1.00 0.37 H new ATOM 0 HA TRP A 58 15.630 -3.147 -16.644 1.00 0.43 H new ATOM 0 HB2 TRP A 58 17.043 -1.074 -16.505 1.00 0.68 H new ATOM 0 HB3 TRP A 58 17.412 -1.197 -18.214 1.00 0.68 H new ATOM 0 HD1 TRP A 58 13.786 -2.119 -17.844 1.00 0.88 H new ATOM 0 HE1 TRP A 58 12.429 -0.029 -18.232 1.00 0.85 H new ATOM 0 HE3 TRP A 58 17.414 1.258 -17.743 1.00 0.64 H new ATOM 0 HZ2 TRP A 58 12.819 2.807 -18.525 1.00 0.73 H new ATOM 0 HZ3 TRP A 58 16.958 3.652 -18.091 1.00 0.62 H new ATOM 0 HH2 TRP A 58 14.677 4.417 -18.495 1.00 0.67 H new ATOM 929 N ASN A 59 16.279 -2.956 -19.829 1.00 0.37 N ATOM 930 CA ASN A 59 15.820 -3.231 -21.211 1.00 0.51 C ATOM 931 C ASN A 59 14.896 -4.436 -21.410 1.00 0.43 C ATOM 932 O ASN A 59 14.011 -4.415 -22.244 1.00 0.43 O ATOM 933 CB ASN A 59 17.092 -3.367 -22.029 1.00 0.72 C ATOM 934 CG ASN A 59 16.760 -3.639 -23.485 1.00 1.11 C ATOM 935 OD1 ASN A 59 15.792 -3.210 -24.083 1.00 1.55 O ATOM 936 ND2 ASN A 59 17.602 -4.390 -24.086 1.00 1.16 N ATOM 0 H ASN A 59 17.168 -2.457 -19.810 1.00 0.37 H new ATOM 0 HA ASN A 59 15.174 -2.411 -21.524 1.00 0.51 H new ATOM 0 HB2 ASN A 59 17.683 -2.454 -21.949 1.00 0.72 H new ATOM 0 HB3 ASN A 59 17.702 -4.178 -21.631 1.00 0.72 H new ATOM 0 HD21 ASN A 59 17.462 -4.630 -25.068 1.00 1.16 H new ATOM 0 HD22 ASN A 59 18.414 -4.750 -23.584 1.00 1.16 H new ATOM 943 N GLU A 60 15.153 -5.418 -20.598 1.00 0.45 N ATOM 944 CA GLU A 60 14.412 -6.703 -20.604 1.00 0.42 C ATOM 945 C GLU A 60 12.901 -6.566 -20.232 1.00 0.38 C ATOM 946 O GLU A 60 12.016 -7.205 -20.758 1.00 0.41 O ATOM 947 CB GLU A 60 15.302 -7.533 -19.663 1.00 0.31 C ATOM 948 CG GLU A 60 14.734 -8.934 -19.350 1.00 0.83 C ATOM 949 CD GLU A 60 14.067 -8.985 -17.971 1.00 2.30 C ATOM 950 OE1 GLU A 60 14.747 -8.615 -17.022 1.00 2.68 O ATOM 951 OE2 GLU A 60 12.922 -9.396 -17.960 1.00 3.21 O ATOM 0 H GLU A 60 15.888 -5.376 -19.892 1.00 0.45 H new ATOM 0 HA GLU A 60 14.286 -7.176 -21.578 1.00 0.42 H new ATOM 0 HB2 GLU A 60 16.289 -7.643 -20.113 1.00 0.31 H new ATOM 0 HB3 GLU A 60 15.436 -6.988 -18.729 1.00 0.31 H new ATOM 0 HG2 GLU A 60 14.008 -9.211 -20.115 1.00 0.83 H new ATOM 0 HG3 GLU A 60 15.538 -9.669 -19.392 1.00 0.83 H new ATOM 958 N LEU A 61 12.692 -5.679 -19.314 1.00 0.32 N ATOM 959 CA LEU A 61 11.370 -5.286 -18.728 1.00 0.27 C ATOM 960 C LEU A 61 10.594 -4.347 -19.644 1.00 0.47 C ATOM 961 O LEU A 61 9.390 -4.446 -19.787 1.00 0.71 O ATOM 962 CB LEU A 61 11.686 -4.619 -17.387 1.00 0.19 C ATOM 963 CG LEU A 61 12.592 -5.533 -16.550 1.00 0.28 C ATOM 964 CD1 LEU A 61 12.907 -4.933 -15.225 1.00 0.29 C ATOM 965 CD2 LEU A 61 11.941 -6.845 -16.415 1.00 0.47 C ATOM 0 H LEU A 61 13.463 -5.154 -18.901 1.00 0.32 H new ATOM 0 HA LEU A 61 10.730 -6.159 -18.600 1.00 0.27 H new ATOM 0 HB2 LEU A 61 12.177 -3.660 -17.554 1.00 0.19 H new ATOM 0 HB3 LEU A 61 10.762 -4.414 -16.846 1.00 0.19 H new ATOM 0 HG LEU A 61 13.548 -5.657 -17.059 1.00 0.28 H new ATOM 0 HD11 LEU A 61 13.550 -5.610 -14.663 1.00 0.29 H new ATOM 0 HD12 LEU A 61 13.419 -3.982 -15.369 1.00 0.29 H new ATOM 0 HD13 LEU A 61 11.983 -4.767 -14.672 1.00 0.29 H new ATOM 0 HD21 LEU A 61 12.574 -7.506 -15.822 1.00 0.47 H new ATOM 0 HD22 LEU A 61 10.978 -6.724 -15.919 1.00 0.47 H new ATOM 0 HD23 LEU A 61 11.789 -7.279 -17.403 1.00 0.47 H new ATOM 977 N LYS A 62 11.334 -3.438 -20.204 1.00 0.36 N ATOM 978 CA LYS A 62 10.762 -2.418 -21.154 1.00 0.56 C ATOM 979 C LYS A 62 9.621 -3.060 -22.027 1.00 1.22 C ATOM 980 O LYS A 62 9.854 -3.854 -22.919 1.00 2.63 O ATOM 981 CB LYS A 62 11.823 -1.975 -22.009 1.00 0.14 C ATOM 982 CG LYS A 62 11.253 -1.079 -23.142 1.00 0.43 C ATOM 983 CD LYS A 62 12.114 -1.153 -24.432 1.00 0.65 C ATOM 984 CE LYS A 62 13.038 -2.392 -24.529 1.00 2.67 C ATOM 985 NZ LYS A 62 12.313 -3.693 -24.297 1.00 4.02 N ATOM 0 H LYS A 62 12.338 -3.347 -20.046 1.00 0.36 H new ATOM 0 HA LYS A 62 10.338 -1.585 -20.594 1.00 0.56 H new ATOM 0 HB2 LYS A 62 12.560 -1.418 -21.430 1.00 0.14 H new ATOM 0 HB3 LYS A 62 12.338 -2.834 -22.438 1.00 0.14 H new ATOM 0 HG2 LYS A 62 10.233 -1.387 -23.369 1.00 0.43 H new ATOM 0 HG3 LYS A 62 11.205 -0.046 -22.797 1.00 0.43 H new ATOM 0 HD2 LYS A 62 11.449 -1.145 -25.296 1.00 0.65 H new ATOM 0 HD3 LYS A 62 12.728 -0.254 -24.494 1.00 0.65 H new ATOM 0 HE2 LYS A 62 13.504 -2.414 -25.514 1.00 2.67 H new ATOM 0 HE3 LYS A 62 13.842 -2.296 -23.799 1.00 2.67 H new ATOM 0 HZ1 LYS A 62 12.802 -4.235 -23.556 1.00 4.02 H new ATOM 0 HZ2 LYS A 62 11.337 -3.498 -23.996 1.00 4.02 H new ATOM 0 HZ3 LYS A 62 12.300 -4.245 -25.178 1.00 4.02 H new ATOM 999 N GLY A 63 8.506 -2.572 -21.647 1.00 0.30 N ATOM 1000 CA GLY A 63 7.092 -2.826 -22.102 1.00 0.39 C ATOM 1001 C GLY A 63 6.340 -3.284 -20.838 1.00 0.29 C ATOM 1002 O GLY A 63 5.449 -4.110 -20.874 1.00 0.13 O ATOM 0 H GLY A 63 8.505 -1.877 -20.901 1.00 0.30 H new ATOM 0 HA2 GLY A 63 6.645 -1.925 -22.522 1.00 0.39 H new ATOM 0 HA3 GLY A 63 7.059 -3.590 -22.879 1.00 0.39 H new ATOM 1006 N THR A 64 6.752 -2.689 -19.744 1.00 0.80 N ATOM 1007 CA THR A 64 6.196 -2.963 -18.377 1.00 1.04 C ATOM 1008 C THR A 64 5.275 -1.949 -17.732 1.00 1.03 C ATOM 1009 O THR A 64 5.273 -0.762 -18.005 1.00 1.08 O ATOM 1010 CB THR A 64 7.394 -3.232 -17.420 1.00 1.29 C ATOM 1011 OG1 THR A 64 7.666 -4.589 -17.702 1.00 1.19 O ATOM 1012 CG2 THR A 64 7.078 -3.353 -15.921 1.00 1.41 C ATOM 0 H THR A 64 7.491 -1.986 -19.744 1.00 0.80 H new ATOM 0 HA THR A 64 5.532 -3.812 -18.539 1.00 1.04 H new ATOM 0 HB THR A 64 8.118 -2.431 -17.569 1.00 1.29 H new ATOM 0 HG1 THR A 64 8.405 -4.648 -18.343 1.00 1.19 H new ATOM 0 HG21 THR A 64 7.999 -3.540 -15.369 1.00 1.41 H new ATOM 0 HG22 THR A 64 6.625 -2.426 -15.569 1.00 1.41 H new ATOM 0 HG23 THR A 64 6.385 -4.179 -15.761 1.00 1.41 H new ATOM 1020 N SER A 65 4.500 -2.530 -16.850 1.00 0.91 N ATOM 1021 CA SER A 65 3.509 -1.774 -16.047 1.00 0.78 C ATOM 1022 C SER A 65 4.293 -1.628 -14.741 1.00 0.57 C ATOM 1023 O SER A 65 4.757 -2.579 -14.140 1.00 0.47 O ATOM 1024 CB SER A 65 2.276 -2.579 -15.810 1.00 0.64 C ATOM 1025 OG SER A 65 1.872 -2.998 -17.118 1.00 1.97 O ATOM 0 H SER A 65 4.520 -3.531 -16.653 1.00 0.91 H new ATOM 0 HA SER A 65 3.165 -0.846 -16.505 1.00 0.78 H new ATOM 0 HB2 SER A 65 2.476 -3.433 -15.163 1.00 0.64 H new ATOM 0 HB3 SER A 65 1.501 -1.986 -15.325 1.00 0.64 H new ATOM 0 HG SER A 65 1.059 -3.541 -17.051 1.00 1.97 H new ATOM 1031 N LYS A 66 4.407 -0.407 -14.335 1.00 0.55 N ATOM 1032 CA LYS A 66 5.158 -0.026 -13.090 1.00 0.34 C ATOM 1033 C LYS A 66 5.009 -0.988 -11.902 1.00 0.08 C ATOM 1034 O LYS A 66 5.934 -1.474 -11.272 1.00 0.31 O ATOM 1035 CB LYS A 66 4.705 1.401 -12.684 1.00 0.59 C ATOM 1036 CG LYS A 66 4.817 2.453 -13.832 1.00 0.83 C ATOM 1037 CD LYS A 66 6.122 2.265 -14.650 1.00 1.51 C ATOM 1038 CE LYS A 66 6.212 3.314 -15.746 1.00 1.72 C ATOM 1039 NZ LYS A 66 6.718 4.574 -15.135 1.00 1.14 N ATOM 0 H LYS A 66 3.997 0.387 -14.827 1.00 0.55 H new ATOM 0 HA LYS A 66 6.219 -0.074 -13.337 1.00 0.34 H new ATOM 0 HB2 LYS A 66 3.671 1.359 -12.343 1.00 0.59 H new ATOM 0 HB3 LYS A 66 5.306 1.735 -11.839 1.00 0.59 H new ATOM 0 HG2 LYS A 66 3.955 2.364 -14.494 1.00 0.83 H new ATOM 0 HG3 LYS A 66 4.792 3.458 -13.410 1.00 0.83 H new ATOM 0 HD2 LYS A 66 6.987 2.342 -13.991 1.00 1.51 H new ATOM 0 HD3 LYS A 66 6.144 1.268 -15.089 1.00 1.51 H new ATOM 0 HE2 LYS A 66 6.880 2.980 -16.540 1.00 1.72 H new ATOM 0 HE3 LYS A 66 5.234 3.476 -16.200 1.00 1.72 H new ATOM 0 HZ1 LYS A 66 7.366 5.046 -15.798 1.00 1.14 H new ATOM 0 HZ2 LYS A 66 5.918 5.204 -14.926 1.00 1.14 H new ATOM 0 HZ3 LYS A 66 7.224 4.354 -14.254 1.00 1.14 H new ATOM 1053 N GLU A 67 3.761 -1.206 -11.663 1.00 0.32 N ATOM 1054 CA GLU A 67 3.265 -2.085 -10.581 1.00 0.25 C ATOM 1055 C GLU A 67 3.932 -3.492 -10.590 1.00 0.26 C ATOM 1056 O GLU A 67 4.427 -3.953 -9.572 1.00 0.26 O ATOM 1057 CB GLU A 67 1.726 -2.048 -10.800 1.00 0.33 C ATOM 1058 CG GLU A 67 1.134 -0.617 -10.312 1.00 0.43 C ATOM 1059 CD GLU A 67 0.746 0.351 -11.452 1.00 1.35 C ATOM 1060 OE1 GLU A 67 1.583 0.483 -12.329 1.00 2.01 O ATOM 1061 OE2 GLU A 67 -0.346 0.904 -11.374 1.00 2.05 O ATOM 0 H GLU A 67 3.013 -0.781 -12.211 1.00 0.32 H new ATOM 0 HA GLU A 67 3.524 -1.757 -9.574 1.00 0.25 H new ATOM 0 HB2 GLU A 67 1.496 -2.207 -11.853 1.00 0.33 H new ATOM 0 HB3 GLU A 67 1.251 -2.857 -10.244 1.00 0.33 H new ATOM 0 HG2 GLU A 67 0.255 -0.796 -9.693 1.00 0.43 H new ATOM 0 HG3 GLU A 67 1.876 -0.130 -9.679 1.00 0.43 H new ATOM 1068 N ASP A 68 3.967 -4.178 -11.707 1.00 0.35 N ATOM 1069 CA ASP A 68 4.621 -5.532 -11.715 1.00 0.40 C ATOM 1070 C ASP A 68 6.078 -5.435 -11.334 1.00 0.36 C ATOM 1071 O ASP A 68 6.620 -6.360 -10.763 1.00 0.59 O ATOM 1072 CB ASP A 68 4.510 -6.163 -13.102 1.00 0.40 C ATOM 1073 CG ASP A 68 3.773 -7.485 -13.000 1.00 0.87 C ATOM 1074 OD1 ASP A 68 2.567 -7.378 -12.995 1.00 0.58 O ATOM 1075 OD2 ASP A 68 4.440 -8.509 -12.927 1.00 2.13 O ATOM 0 H ASP A 68 3.580 -3.870 -12.599 1.00 0.35 H new ATOM 0 HA ASP A 68 4.105 -6.153 -10.983 1.00 0.40 H new ATOM 0 HB2 ASP A 68 3.981 -5.491 -13.777 1.00 0.40 H new ATOM 0 HB3 ASP A 68 5.503 -6.320 -13.522 1.00 0.40 H new ATOM 1080 N ALA A 69 6.670 -4.336 -11.676 1.00 0.21 N ATOM 1081 CA ALA A 69 8.101 -4.162 -11.325 1.00 0.04 C ATOM 1082 C ALA A 69 8.076 -4.002 -9.802 1.00 0.11 C ATOM 1083 O ALA A 69 8.793 -4.696 -9.115 1.00 0.31 O ATOM 1084 CB ALA A 69 8.624 -2.918 -12.026 1.00 0.23 C ATOM 0 H ALA A 69 6.236 -3.560 -12.176 1.00 0.21 H new ATOM 0 HA ALA A 69 8.751 -4.983 -11.628 1.00 0.04 H new ATOM 0 HB1 ALA A 69 9.676 -2.776 -11.778 1.00 0.23 H new ATOM 0 HB2 ALA A 69 8.518 -3.036 -13.104 1.00 0.23 H new ATOM 0 HB3 ALA A 69 8.053 -2.049 -11.699 1.00 0.23 H new ATOM 1090 N MET A 70 7.259 -3.112 -9.304 1.00 0.10 N ATOM 1091 CA MET A 70 7.177 -2.900 -7.823 1.00 0.14 C ATOM 1092 C MET A 70 7.159 -4.194 -6.998 1.00 0.16 C ATOM 1093 O MET A 70 7.970 -4.344 -6.104 1.00 0.26 O ATOM 1094 CB MET A 70 5.897 -2.145 -7.416 1.00 0.18 C ATOM 1095 CG MET A 70 5.758 -0.757 -7.986 1.00 0.22 C ATOM 1096 SD MET A 70 4.297 0.086 -7.335 1.00 0.35 S ATOM 1097 CE MET A 70 4.627 1.722 -8.020 1.00 0.23 C ATOM 0 H MET A 70 6.642 -2.519 -9.859 1.00 0.10 H new ATOM 0 HA MET A 70 8.082 -2.332 -7.608 1.00 0.14 H new ATOM 0 HB2 MET A 70 5.034 -2.735 -7.725 1.00 0.18 H new ATOM 0 HB3 MET A 70 5.865 -2.078 -6.329 1.00 0.18 H new ATOM 0 HG2 MET A 70 6.649 -0.175 -7.751 1.00 0.22 H new ATOM 0 HG3 MET A 70 5.692 -0.814 -9.073 1.00 0.22 H new ATOM 0 HE1 MET A 70 3.829 2.406 -7.730 1.00 0.23 H new ATOM 0 HE2 MET A 70 5.578 2.092 -7.637 1.00 0.23 H new ATOM 0 HE3 MET A 70 4.673 1.659 -9.107 1.00 0.23 H new ATOM 1107 N LYS A 71 6.229 -5.044 -7.381 1.00 0.12 N ATOM 1108 CA LYS A 71 5.984 -6.368 -6.735 1.00 0.19 C ATOM 1109 C LYS A 71 7.269 -6.983 -6.248 1.00 0.21 C ATOM 1110 O LYS A 71 7.510 -7.270 -5.091 1.00 0.26 O ATOM 1111 CB LYS A 71 5.255 -7.229 -7.812 1.00 0.25 C ATOM 1112 CG LYS A 71 6.033 -8.268 -8.600 1.00 2.26 C ATOM 1113 CD LYS A 71 5.029 -8.921 -9.612 1.00 2.52 C ATOM 1114 CE LYS A 71 5.683 -9.867 -10.637 1.00 4.16 C ATOM 1115 NZ LYS A 71 6.612 -9.065 -11.499 1.00 4.69 N ATOM 0 H LYS A 71 5.599 -4.855 -8.160 1.00 0.12 H new ATOM 0 HA LYS A 71 5.368 -6.285 -5.840 1.00 0.19 H new ATOM 0 HB2 LYS A 71 4.434 -7.746 -7.314 1.00 0.25 H new ATOM 0 HB3 LYS A 71 4.810 -6.542 -8.531 1.00 0.25 H new ATOM 0 HG2 LYS A 71 6.867 -7.807 -9.128 1.00 2.26 H new ATOM 0 HG3 LYS A 71 6.454 -9.021 -7.934 1.00 2.26 H new ATOM 0 HD2 LYS A 71 4.277 -9.476 -9.052 1.00 2.52 H new ATOM 0 HD3 LYS A 71 4.506 -8.129 -10.149 1.00 2.52 H new ATOM 0 HE2 LYS A 71 6.230 -10.660 -10.126 1.00 4.16 H new ATOM 0 HE3 LYS A 71 4.920 -10.349 -11.248 1.00 4.16 H new ATOM 0 HZ1 LYS A 71 7.486 -9.605 -11.664 1.00 4.69 H new ATOM 0 HZ2 LYS A 71 6.153 -8.863 -12.410 1.00 4.69 H new ATOM 0 HZ3 LYS A 71 6.843 -8.170 -11.022 1.00 4.69 H new ATOM 1129 N ALA A 72 8.072 -7.117 -7.250 1.00 0.20 N ATOM 1130 CA ALA A 72 9.400 -7.714 -7.024 1.00 0.23 C ATOM 1131 C ALA A 72 10.467 -6.679 -6.618 1.00 0.15 C ATOM 1132 O ALA A 72 11.294 -6.998 -5.784 1.00 0.11 O ATOM 1133 CB ALA A 72 9.748 -8.456 -8.311 1.00 0.22 C ATOM 0 H ALA A 72 7.869 -6.841 -8.211 1.00 0.20 H new ATOM 0 HA ALA A 72 9.378 -8.397 -6.175 1.00 0.23 H new ATOM 0 HB1 ALA A 72 10.727 -8.924 -8.208 1.00 0.22 H new ATOM 0 HB2 ALA A 72 8.998 -9.223 -8.503 1.00 0.22 H new ATOM 0 HB3 ALA A 72 9.768 -7.752 -9.143 1.00 0.22 H new ATOM 1139 N TYR A 73 10.466 -5.495 -7.175 1.00 0.14 N ATOM 1140 CA TYR A 73 11.478 -4.483 -6.785 1.00 0.07 C ATOM 1141 C TYR A 73 11.585 -4.492 -5.272 1.00 0.10 C ATOM 1142 O TYR A 73 12.628 -4.743 -4.700 1.00 0.12 O ATOM 1143 CB TYR A 73 11.037 -3.121 -7.228 1.00 0.04 C ATOM 1144 CG TYR A 73 11.992 -2.139 -6.559 1.00 0.05 C ATOM 1145 CD1 TYR A 73 13.304 -2.050 -6.975 1.00 0.68 C ATOM 1146 CD2 TYR A 73 11.536 -1.333 -5.533 1.00 0.77 C ATOM 1147 CE1 TYR A 73 14.143 -1.158 -6.366 1.00 0.64 C ATOM 1148 CE2 TYR A 73 12.393 -0.444 -4.947 1.00 0.79 C ATOM 1149 CZ TYR A 73 13.680 -0.376 -5.374 1.00 0.16 C ATOM 1150 OH TYR A 73 14.574 0.476 -4.816 1.00 0.22 O ATOM 0 H TYR A 73 9.802 -5.190 -7.886 1.00 0.14 H new ATOM 0 HA TYR A 73 12.436 -4.716 -7.249 1.00 0.07 H new ATOM 0 HB2 TYR A 73 11.079 -3.030 -8.313 1.00 0.04 H new ATOM 0 HB3 TYR A 73 10.006 -2.928 -6.932 1.00 0.04 H new ATOM 0 HD1 TYR A 73 13.666 -2.679 -7.775 1.00 0.68 H new ATOM 0 HD2 TYR A 73 10.512 -1.405 -5.197 1.00 0.77 H new ATOM 0 HE1 TYR A 73 15.173 -1.082 -6.680 1.00 0.64 H new ATOM 0 HE2 TYR A 73 12.049 0.199 -4.151 1.00 0.79 H new ATOM 0 HH TYR A 73 14.713 1.241 -5.412 1.00 0.22 H new ATOM 1160 N ILE A 74 10.429 -4.223 -4.717 1.00 0.10 N ATOM 1161 CA ILE A 74 10.284 -4.162 -3.250 1.00 0.09 C ATOM 1162 C ILE A 74 10.839 -5.443 -2.642 1.00 0.16 C ATOM 1163 O ILE A 74 11.806 -5.349 -1.929 1.00 0.15 O ATOM 1164 CB ILE A 74 8.824 -4.023 -2.876 1.00 0.13 C ATOM 1165 CG1 ILE A 74 8.208 -2.775 -3.473 1.00 0.16 C ATOM 1166 CG2 ILE A 74 8.834 -3.789 -1.350 1.00 0.16 C ATOM 1167 CD1 ILE A 74 6.680 -2.892 -3.383 1.00 0.22 C ATOM 0 H ILE A 74 9.571 -4.042 -5.238 1.00 0.10 H new ATOM 0 HA ILE A 74 10.832 -3.299 -2.870 1.00 0.09 H new ATOM 0 HB ILE A 74 8.267 -4.895 -3.219 1.00 0.13 H new ATOM 0 HG12 ILE A 74 8.552 -1.890 -2.938 1.00 0.16 H new ATOM 0 HG13 ILE A 74 8.518 -2.660 -4.512 1.00 0.16 H new ATOM 0 HG21 ILE A 74 7.810 -3.677 -0.992 1.00 0.16 H new ATOM 0 HG22 ILE A 74 9.300 -4.640 -0.854 1.00 0.16 H new ATOM 0 HG23 ILE A 74 9.398 -2.884 -1.124 1.00 0.16 H new ATOM 0 HD11 ILE A 74 6.221 -2.000 -3.809 1.00 0.22 H new ATOM 0 HD12 ILE A 74 6.349 -3.770 -3.937 1.00 0.22 H new ATOM 0 HD13 ILE A 74 6.383 -2.989 -2.339 1.00 0.22 H new ATOM 1179 N ASP A 75 10.272 -6.600 -2.894 1.00 0.19 N ATOM 1180 CA ASP A 75 10.840 -7.855 -2.291 1.00 0.19 C ATOM 1181 C ASP A 75 12.368 -7.995 -2.404 1.00 0.21 C ATOM 1182 O ASP A 75 13.080 -8.530 -1.571 1.00 0.27 O ATOM 1183 CB ASP A 75 10.136 -9.009 -2.963 1.00 0.32 C ATOM 1184 CG ASP A 75 9.430 -9.911 -1.951 1.00 1.10 C ATOM 1185 OD1 ASP A 75 8.374 -9.512 -1.505 1.00 0.86 O ATOM 1186 OD2 ASP A 75 10.009 -10.950 -1.684 1.00 2.55 O ATOM 0 H ASP A 75 9.450 -6.732 -3.484 1.00 0.19 H new ATOM 0 HA ASP A 75 10.666 -7.831 -1.215 1.00 0.19 H new ATOM 0 HB2 ASP A 75 9.408 -8.624 -3.677 1.00 0.32 H new ATOM 0 HB3 ASP A 75 10.859 -9.595 -3.530 1.00 0.32 H new ATOM 1191 N LYS A 76 12.867 -7.490 -3.484 1.00 0.17 N ATOM 1192 CA LYS A 76 14.333 -7.560 -3.712 1.00 0.19 C ATOM 1193 C LYS A 76 14.994 -6.507 -2.829 1.00 0.15 C ATOM 1194 O LYS A 76 15.988 -6.811 -2.187 1.00 0.20 O ATOM 1195 CB LYS A 76 14.532 -7.364 -5.201 1.00 0.27 C ATOM 1196 CG LYS A 76 15.851 -8.086 -5.551 1.00 0.35 C ATOM 1197 CD LYS A 76 15.627 -9.640 -5.775 1.00 0.71 C ATOM 1198 CE LYS A 76 15.695 -10.547 -4.514 1.00 1.62 C ATOM 1199 NZ LYS A 76 14.375 -10.632 -3.797 1.00 2.72 N ATOM 0 H LYS A 76 12.330 -7.032 -4.220 1.00 0.17 H new ATOM 0 HA LYS A 76 14.795 -8.509 -3.438 1.00 0.19 H new ATOM 0 HB2 LYS A 76 13.697 -7.781 -5.765 1.00 0.27 H new ATOM 0 HB3 LYS A 76 14.588 -6.305 -5.451 1.00 0.27 H new ATOM 0 HG2 LYS A 76 16.279 -7.646 -6.452 1.00 0.35 H new ATOM 0 HG3 LYS A 76 16.573 -7.934 -4.749 1.00 0.35 H new ATOM 0 HD2 LYS A 76 14.652 -9.779 -6.241 1.00 0.71 H new ATOM 0 HD3 LYS A 76 16.374 -9.992 -6.487 1.00 0.71 H new ATOM 0 HE2 LYS A 76 16.012 -11.548 -4.806 1.00 1.62 H new ATOM 0 HE3 LYS A 76 16.452 -10.160 -3.832 1.00 1.62 H new ATOM 0 HZ1 LYS A 76 14.211 -11.611 -3.486 1.00 2.72 H new ATOM 0 HZ2 LYS A 76 14.389 -10.003 -2.969 1.00 2.72 H new ATOM 0 HZ3 LYS A 76 13.611 -10.341 -4.440 1.00 2.72 H new ATOM 1213 N VAL A 77 14.471 -5.306 -2.795 1.00 0.08 N ATOM 1214 CA VAL A 77 15.087 -4.255 -1.914 1.00 0.08 C ATOM 1215 C VAL A 77 15.027 -4.945 -0.555 1.00 0.12 C ATOM 1216 O VAL A 77 15.999 -4.927 0.168 1.00 0.13 O ATOM 1217 CB VAL A 77 14.246 -2.979 -1.879 1.00 0.04 C ATOM 1218 CG1 VAL A 77 14.826 -2.007 -0.801 1.00 0.15 C ATOM 1219 CG2 VAL A 77 14.354 -2.284 -3.240 1.00 0.05 C ATOM 0 H VAL A 77 13.656 -5.007 -3.330 1.00 0.08 H new ATOM 0 HA VAL A 77 16.079 -3.941 -2.239 1.00 0.08 H new ATOM 0 HB VAL A 77 13.211 -3.230 -1.648 1.00 0.04 H new ATOM 0 HG11 VAL A 77 14.228 -1.096 -0.773 1.00 0.15 H new ATOM 0 HG12 VAL A 77 14.798 -2.489 0.176 1.00 0.15 H new ATOM 0 HG13 VAL A 77 15.857 -1.757 -1.053 1.00 0.15 H new ATOM 0 HG21 VAL A 77 13.759 -1.371 -3.231 1.00 0.05 H new ATOM 0 HG22 VAL A 77 15.396 -2.035 -3.440 1.00 0.05 H new ATOM 0 HG23 VAL A 77 13.984 -2.950 -4.019 1.00 0.05 H new ATOM 1229 N GLU A 78 13.894 -5.543 -0.244 1.00 0.16 N ATOM 1230 CA GLU A 78 13.706 -6.269 1.045 1.00 0.22 C ATOM 1231 C GLU A 78 14.970 -7.096 1.308 1.00 0.15 C ATOM 1232 O GLU A 78 15.587 -6.980 2.349 1.00 0.11 O ATOM 1233 CB GLU A 78 12.475 -7.206 0.948 1.00 0.37 C ATOM 1234 CG GLU A 78 11.398 -6.868 2.020 1.00 0.60 C ATOM 1235 CD GLU A 78 12.016 -6.602 3.389 1.00 0.95 C ATOM 1236 OE1 GLU A 78 12.548 -7.525 3.978 1.00 2.14 O ATOM 1237 OE2 GLU A 78 11.927 -5.454 3.784 1.00 0.56 O ATOM 0 H GLU A 78 13.075 -5.553 -0.852 1.00 0.16 H new ATOM 0 HA GLU A 78 13.538 -5.562 1.858 1.00 0.22 H new ATOM 0 HB2 GLU A 78 12.035 -7.125 -0.046 1.00 0.37 H new ATOM 0 HB3 GLU A 78 12.796 -8.240 1.071 1.00 0.37 H new ATOM 0 HG2 GLU A 78 10.832 -5.992 1.702 1.00 0.60 H new ATOM 0 HG3 GLU A 78 10.691 -7.694 2.096 1.00 0.60 H new ATOM 1244 N GLU A 79 15.346 -7.955 0.396 1.00 0.17 N ATOM 1245 CA GLU A 79 16.592 -8.753 0.633 1.00 0.14 C ATOM 1246 C GLU A 79 17.790 -7.779 0.927 1.00 0.09 C ATOM 1247 O GLU A 79 18.455 -7.880 1.945 1.00 0.16 O ATOM 1248 CB GLU A 79 16.838 -9.627 -0.630 1.00 0.30 C ATOM 1249 CG GLU A 79 15.832 -10.869 -0.690 1.00 0.41 C ATOM 1250 CD GLU A 79 16.141 -11.849 -1.853 1.00 0.61 C ATOM 1251 OE1 GLU A 79 17.312 -11.910 -2.199 1.00 1.05 O ATOM 1252 OE2 GLU A 79 15.198 -12.468 -2.329 1.00 1.58 O ATOM 0 H GLU A 79 14.860 -8.138 -0.482 1.00 0.17 H new ATOM 0 HA GLU A 79 16.494 -9.406 1.500 1.00 0.14 H new ATOM 0 HB2 GLU A 79 16.717 -9.017 -1.525 1.00 0.30 H new ATOM 0 HB3 GLU A 79 17.866 -9.990 -0.628 1.00 0.30 H new ATOM 0 HG2 GLU A 79 15.877 -11.411 0.255 1.00 0.41 H new ATOM 0 HG3 GLU A 79 14.813 -10.498 -0.797 1.00 0.41 H new ATOM 1259 N LEU A 80 18.055 -6.852 0.039 1.00 0.09 N ATOM 1260 CA LEU A 80 19.199 -5.886 0.277 1.00 0.14 C ATOM 1261 C LEU A 80 19.203 -5.277 1.682 1.00 0.23 C ATOM 1262 O LEU A 80 20.187 -5.230 2.391 1.00 0.35 O ATOM 1263 CB LEU A 80 19.095 -4.778 -0.726 1.00 0.18 C ATOM 1264 CG LEU A 80 19.449 -5.278 -2.106 1.00 0.18 C ATOM 1265 CD1 LEU A 80 19.370 -4.092 -3.014 1.00 0.37 C ATOM 1266 CD2 LEU A 80 20.883 -5.765 -2.058 1.00 0.25 C ATOM 0 H LEU A 80 17.543 -6.715 -0.832 1.00 0.09 H new ATOM 0 HA LEU A 80 20.126 -6.450 0.174 1.00 0.14 H new ATOM 0 HB2 LEU A 80 18.082 -4.375 -0.728 1.00 0.18 H new ATOM 0 HB3 LEU A 80 19.762 -3.963 -0.446 1.00 0.18 H new ATOM 0 HG LEU A 80 18.791 -6.079 -2.444 1.00 0.18 H new ATOM 0 HD11 LEU A 80 19.618 -4.395 -4.031 1.00 0.37 H new ATOM 0 HD12 LEU A 80 18.359 -3.684 -2.993 1.00 0.37 H new ATOM 0 HD13 LEU A 80 20.075 -3.331 -2.681 1.00 0.37 H new ATOM 0 HD21 LEU A 80 21.175 -6.135 -3.041 1.00 0.25 H new ATOM 0 HD22 LEU A 80 21.537 -4.942 -1.771 1.00 0.25 H new ATOM 0 HD23 LEU A 80 20.970 -6.569 -1.327 1.00 0.25 H new ATOM 1278 N LYS A 81 18.040 -4.814 1.996 1.00 0.24 N ATOM 1279 CA LYS A 81 17.691 -4.164 3.291 1.00 0.42 C ATOM 1280 C LYS A 81 18.469 -4.854 4.425 1.00 0.44 C ATOM 1281 O LYS A 81 19.055 -4.239 5.292 1.00 0.56 O ATOM 1282 CB LYS A 81 16.208 -4.340 3.397 1.00 0.48 C ATOM 1283 CG LYS A 81 15.435 -3.434 4.361 1.00 1.03 C ATOM 1284 CD LYS A 81 15.620 -3.835 5.851 1.00 0.94 C ATOM 1285 CE LYS A 81 14.583 -3.093 6.718 1.00 0.78 C ATOM 1286 NZ LYS A 81 14.871 -1.634 6.629 1.00 1.06 N ATOM 0 H LYS A 81 17.248 -4.862 1.355 1.00 0.24 H new ATOM 0 HA LYS A 81 17.955 -3.108 3.355 1.00 0.42 H new ATOM 0 HB2 LYS A 81 15.785 -4.203 2.402 1.00 0.48 H new ATOM 0 HB3 LYS A 81 16.016 -5.373 3.686 1.00 0.48 H new ATOM 0 HG2 LYS A 81 15.763 -2.404 4.224 1.00 1.03 H new ATOM 0 HG3 LYS A 81 14.375 -3.467 4.111 1.00 1.03 H new ATOM 0 HD2 LYS A 81 15.501 -4.912 5.966 1.00 0.94 H new ATOM 0 HD3 LYS A 81 16.629 -3.589 6.182 1.00 0.94 H new ATOM 0 HE2 LYS A 81 13.572 -3.304 6.368 1.00 0.78 H new ATOM 0 HE3 LYS A 81 14.639 -3.431 7.753 1.00 0.78 H new ATOM 0 HZ1 LYS A 81 14.025 -1.096 6.906 1.00 1.06 H new ATOM 0 HZ2 LYS A 81 15.657 -1.396 7.267 1.00 1.06 H new ATOM 0 HZ3 LYS A 81 15.132 -1.391 5.652 1.00 1.06 H new ATOM 1300 N LYS A 82 18.409 -6.158 4.297 1.00 0.36 N ATOM 1301 CA LYS A 82 19.032 -7.140 5.210 1.00 0.36 C ATOM 1302 C LYS A 82 20.495 -7.456 4.900 1.00 0.36 C ATOM 1303 O LYS A 82 21.362 -7.437 5.745 1.00 0.41 O ATOM 1304 CB LYS A 82 18.189 -8.419 5.139 1.00 0.24 C ATOM 1305 CG LYS A 82 16.713 -8.125 5.557 1.00 0.59 C ATOM 1306 CD LYS A 82 15.863 -9.442 5.636 1.00 0.45 C ATOM 1307 CE LYS A 82 15.464 -9.971 4.254 1.00 0.84 C ATOM 1308 NZ LYS A 82 14.480 -9.013 3.666 1.00 0.97 N ATOM 0 H LYS A 82 17.908 -6.602 3.527 1.00 0.36 H new ATOM 0 HA LYS A 82 19.048 -6.706 6.210 1.00 0.36 H new ATOM 0 HB2 LYS A 82 18.213 -8.822 4.126 1.00 0.24 H new ATOM 0 HB3 LYS A 82 18.614 -9.179 5.795 1.00 0.24 H new ATOM 0 HG2 LYS A 82 16.701 -7.625 6.525 1.00 0.59 H new ATOM 0 HG3 LYS A 82 16.260 -7.441 4.839 1.00 0.59 H new ATOM 0 HD2 LYS A 82 16.434 -10.207 6.163 1.00 0.45 H new ATOM 0 HD3 LYS A 82 14.964 -9.255 6.223 1.00 0.45 H new ATOM 0 HE2 LYS A 82 16.340 -10.061 3.612 1.00 0.84 H new ATOM 0 HE3 LYS A 82 15.026 -10.966 4.337 1.00 0.84 H new ATOM 0 HZ1 LYS A 82 13.990 -9.465 2.868 1.00 0.97 H new ATOM 0 HZ2 LYS A 82 13.785 -8.741 4.390 1.00 0.97 H new ATOM 0 HZ3 LYS A 82 14.979 -8.165 3.330 1.00 0.97 H new ATOM 1322 N LYS A 83 20.706 -7.766 3.665 1.00 0.29 N ATOM 1323 CA LYS A 83 22.059 -8.108 3.146 1.00 0.28 C ATOM 1324 C LYS A 83 23.119 -7.064 3.486 1.00 0.33 C ATOM 1325 O LYS A 83 24.205 -7.327 3.963 1.00 0.39 O ATOM 1326 CB LYS A 83 21.944 -8.216 1.683 1.00 0.17 C ATOM 1327 CG LYS A 83 21.138 -9.437 1.313 1.00 0.14 C ATOM 1328 CD LYS A 83 20.654 -9.280 -0.141 1.00 0.08 C ATOM 1329 CE LYS A 83 20.360 -10.701 -0.578 1.00 0.34 C ATOM 1330 NZ LYS A 83 19.931 -10.710 -1.998 1.00 1.04 N ATOM 0 H LYS A 83 19.970 -7.800 2.959 1.00 0.29 H new ATOM 0 HA LYS A 83 22.382 -9.038 3.614 1.00 0.28 H new ATOM 0 HB2 LYS A 83 21.468 -7.321 1.281 1.00 0.17 H new ATOM 0 HB3 LYS A 83 22.936 -8.277 1.236 1.00 0.17 H new ATOM 0 HG2 LYS A 83 21.745 -10.337 1.415 1.00 0.14 H new ATOM 0 HG3 LYS A 83 20.287 -9.548 1.986 1.00 0.14 H new ATOM 0 HD2 LYS A 83 19.766 -8.651 -0.202 1.00 0.08 H new ATOM 0 HD3 LYS A 83 21.416 -8.818 -0.769 1.00 0.08 H new ATOM 0 HE2 LYS A 83 21.248 -11.321 -0.453 1.00 0.34 H new ATOM 0 HE3 LYS A 83 19.580 -11.131 0.050 1.00 0.34 H new ATOM 0 HZ1 LYS A 83 19.090 -11.312 -2.103 1.00 1.04 H new ATOM 0 HZ2 LYS A 83 19.702 -9.741 -2.298 1.00 1.04 H new ATOM 0 HZ3 LYS A 83 20.700 -11.083 -2.591 1.00 1.04 H new ATOM 1344 N TYR A 84 22.700 -5.876 3.186 1.00 0.34 N ATOM 1345 CA TYR A 84 23.559 -4.701 3.418 1.00 0.48 C ATOM 1346 C TYR A 84 23.120 -3.918 4.643 1.00 0.66 C ATOM 1347 O TYR A 84 24.032 -3.669 5.410 1.00 0.69 O ATOM 1348 CB TYR A 84 23.523 -3.948 2.047 1.00 0.49 C ATOM 1349 CG TYR A 84 23.994 -5.054 1.097 1.00 0.31 C ATOM 1350 CD1 TYR A 84 25.301 -5.489 1.121 1.00 1.39 C ATOM 1351 CD2 TYR A 84 23.095 -5.663 0.257 1.00 1.71 C ATOM 1352 CE1 TYR A 84 25.697 -6.528 0.317 1.00 1.43 C ATOM 1353 CE2 TYR A 84 23.493 -6.704 -0.545 1.00 1.66 C ATOM 1354 CZ TYR A 84 24.799 -7.134 -0.513 1.00 0.20 C ATOM 1355 OH TYR A 84 25.248 -8.160 -1.302 1.00 0.30 O ATOM 0 H TYR A 84 21.786 -5.669 2.784 1.00 0.34 H new ATOM 0 HA TYR A 84 24.592 -4.931 3.680 1.00 0.48 H new ATOM 0 HB2 TYR A 84 22.524 -3.589 1.799 1.00 0.49 H new ATOM 0 HB3 TYR A 84 24.185 -3.083 2.034 1.00 0.49 H new ATOM 0 HD1 TYR A 84 26.016 -5.011 1.774 1.00 1.39 H new ATOM 0 HD2 TYR A 84 22.071 -5.322 0.227 1.00 1.71 H new ATOM 0 HE1 TYR A 84 26.722 -6.867 0.341 1.00 1.43 H new ATOM 0 HE2 TYR A 84 22.781 -7.185 -1.200 1.00 1.66 H new ATOM 0 HH TYR A 84 24.529 -8.451 -1.901 1.00 0.30 H new ATOM 1365 N GLY A 85 21.873 -3.522 4.906 1.00 0.76 N ATOM 1366 CA GLY A 85 21.756 -2.766 6.209 1.00 0.94 C ATOM 1367 C GLY A 85 21.544 -1.286 6.030 1.00 1.37 C ATOM 1368 O GLY A 85 22.433 -0.451 5.998 1.00 1.89 O ATOM 0 H GLY A 85 21.031 -3.667 4.349 1.00 0.76 H new ATOM 0 HA2 GLY A 85 20.926 -3.176 6.784 1.00 0.94 H new ATOM 0 HA3 GLY A 85 22.661 -2.927 6.795 1.00 0.94 H new ATOM 1372 N ILE A 86 20.302 -0.995 5.914 1.00 1.24 N ATOM 1373 CA ILE A 86 19.892 0.411 5.737 1.00 1.66 C ATOM 1374 C ILE A 86 19.955 1.191 7.079 1.00 2.72 C ATOM 1375 O ILE A 86 20.120 0.562 8.111 1.00 2.81 O ATOM 1376 CB ILE A 86 18.456 0.336 5.059 1.00 0.92 C ATOM 1377 CG1 ILE A 86 17.385 0.906 6.014 1.00 0.98 C ATOM 1378 CG2 ILE A 86 18.018 -1.074 4.654 1.00 1.31 C ATOM 1379 CD1 ILE A 86 16.717 2.154 5.453 1.00 1.01 C ATOM 1380 OXT ILE A 86 19.859 2.406 7.019 1.00 3.74 O ATOM 0 H ILE A 86 19.540 -1.672 5.933 1.00 1.24 H new ATOM 0 HA ILE A 86 20.564 0.983 5.097 1.00 1.66 H new ATOM 0 HB ILE A 86 18.545 0.926 4.147 1.00 0.92 H new ATOM 0 HG12 ILE A 86 16.628 0.145 6.203 1.00 0.98 H new ATOM 0 HG13 ILE A 86 17.845 1.143 6.973 1.00 0.98 H new ATOM 0 HG21 ILE A 86 17.028 -1.031 4.200 1.00 1.31 H new ATOM 0 HG22 ILE A 86 18.729 -1.484 3.936 1.00 1.31 H new ATOM 0 HG23 ILE A 86 17.985 -1.712 5.537 1.00 1.31 H new ATOM 0 HD11 ILE A 86 15.972 2.517 6.161 1.00 1.01 H new ATOM 0 HD12 ILE A 86 17.468 2.926 5.289 1.00 1.01 H new ATOM 0 HD13 ILE A 86 16.232 1.913 4.507 1.00 1.01 H new TER 1392 ILE A 86 HETATM 1393 N1A COA A 87 17.162 2.414 -5.863 1.00 0.79 N HETATM 1394 C2A COA A 87 17.602 1.980 -7.036 1.00 0.67 C HETATM 1395 N3A COA A 87 18.298 2.634 -7.949 1.00 0.59 N HETATM 1396 C4A COA A 87 18.550 3.891 -7.557 1.00 0.62 C HETATM 1397 C5A COA A 87 18.169 4.478 -6.395 1.00 0.74 C HETATM 1398 C6A COA A 87 17.436 3.673 -5.520 1.00 0.83 C HETATM 1399 N6A COA A 87 17.006 4.111 -4.362 1.00 0.97 N HETATM 1400 N7A COA A 87 18.628 5.790 -6.344 1.00 0.75 N HETATM 1401 C8A COA A 87 19.260 5.932 -7.472 1.00 0.63 C HETATM 1402 N9A COA A 87 19.249 4.818 -8.256 1.00 0.54 N HETATM 1403 C1B COA A 87 19.849 4.592 -9.571 1.00 0.44 C HETATM 1404 C2B COA A 87 20.187 5.885 -10.309 1.00 0.52 C HETATM 1405 O2B COA A 87 19.179 6.111 -11.326 1.00 0.50 O HETATM 1406 C3B COA A 87 21.524 5.505 -10.899 1.00 0.53 C HETATM 1407 O3B COA A 87 21.275 4.920 -12.158 1.00 0.35 O HETATM 1408 P3B COA A 87 21.369 5.647 -13.561 1.00 0.47 P HETATM 1409 O7A COA A 87 22.369 6.713 -13.363 1.00 2.00 O HETATM 1410 O8A COA A 87 19.958 5.992 -13.829 1.00 1.53 O HETATM 1411 O9A COA A 87 21.801 4.454 -14.294 1.00 1.07 O HETATM 1412 C4B COA A 87 22.122 4.487 -9.921 1.00 0.56 C HETATM 1413 O4B COA A 87 21.023 3.826 -9.321 1.00 0.43 O HETATM 1414 C5B COA A 87 22.991 5.114 -8.780 1.00 0.77 C HETATM 1415 O5B COA A 87 22.437 6.291 -8.130 1.00 0.86 O HETATM 1416 P1A COA A 87 22.441 7.889 -8.519 1.00 0.37 P HETATM 1417 O1A COA A 87 22.423 8.028 -9.984 1.00 1.26 O HETATM 1418 O2A COA A 87 21.314 8.405 -7.711 1.00 0.67 O HETATM 1419 O3A COA A 87 23.577 8.849 -8.141 1.00 0.89 O HETATM 1420 P2A COA A 87 24.677 8.162 -7.385 1.00 1.48 P HETATM 1421 O4A COA A 87 25.215 7.116 -8.282 1.00 2.35 O HETATM 1422 O5A COA A 87 25.575 9.207 -6.873 1.00 2.72 O HETATM 1423 O6A COA A 87 23.852 7.575 -6.100 1.00 0.53 O HETATM 1424 CBP COA A 87 24.653 5.367 -5.150 1.00 0.75 C HETATM 1425 CCP COA A 87 24.534 6.931 -5.002 1.00 1.15 C HETATM 1426 CDP COA A 87 25.165 5.043 -6.364 1.00 0.81 C HETATM 1427 CEP COA A 87 23.307 4.722 -5.127 1.00 0.33 C HETATM 1428 CAP COA A 87 25.659 4.775 -4.130 1.00 1.28 C HETATM 1429 OAP COA A 87 25.770 3.385 -4.387 1.00 3.09 O HETATM 1430 C9P COA A 87 25.174 5.241 -2.860 1.00 1.77 C HETATM 1431 O9P COA A 87 25.816 6.051 -2.221 1.00 2.75 O HETATM 1432 N8P COA A 87 24.037 4.643 -2.629 1.00 1.95 N HETATM 1433 C7P COA A 87 23.124 4.795 -1.500 1.00 3.61 C HETATM 1434 C6P COA A 87 23.575 6.058 -0.754 1.00 4.74 C HETATM 1435 C5P COA A 87 24.762 5.784 0.207 1.00 4.00 C HETATM 1436 O5P COA A 87 25.062 6.501 1.140 1.00 4.91 O HETATM 1437 N4P COA A 87 25.354 4.693 -0.159 1.00 2.66 N HETATM 1438 C3P COA A 87 26.511 3.957 0.348 1.00 2.36 C HETATM 1439 C2P COA A 87 26.663 3.006 -0.871 1.00 2.63 C HETATM 1440 S1P COA A 87 25.225 1.924 -1.157 1.00 2.61 S HETATM 0 HO2A COA A 87 19.609 6.421 -12.150 1.00 0.50 H new HETATM 0 H62A COA A 87 17.202 5.070 -4.075 1.00 0.97 H new HETATM 0 H61A COA A 87 16.476 3.493 -3.748 1.00 0.97 H new HETATM 0 H52A COA A 87 23.163 4.351 -8.021 1.00 0.77 H new HETATM 0 H51A COA A 87 23.964 5.377 -9.194 1.00 0.77 H new HETATM 0 H143 COA A 87 22.812 4.946 -4.182 1.00 0.33 H new HETATM 0 H142 COA A 87 22.706 5.105 -5.951 1.00 0.33 H new HETATM 0 H141 COA A 87 23.419 3.643 -5.231 1.00 0.33 H new HETATM 0 H133 COA A 87 24.511 5.424 -7.148 1.00 0.81 H new HETATM 0 H132 COA A 87 26.156 5.485 -6.471 1.00 0.81 H new HETATM 0 H131 COA A 87 25.240 3.959 -6.450 1.00 0.81 H new HETATM 0 H122 COA A 87 25.534 7.354 -4.911 1.00 1.15 H new HETATM 0 H121 COA A 87 24.006 7.159 -4.076 1.00 1.15 H new HETATM 0 HO1 COA A 87 26.524 3.018 -3.880 1.00 3.09 H new HETATM 0 HN8 COA A 87 23.744 3.973 -3.340 1.00 1.95 H new HETATM 0 HN4 COA A 87 24.923 4.254 -0.972 1.00 2.66 H new HETATM 0 H8A COA A 87 19.754 6.859 -7.764 1.00 0.63 H new HETATM 0 H72 COA A 87 22.094 4.892 -1.842 1.00 3.61 H new HETATM 0 H71 COA A 87 23.162 3.923 -0.848 1.00 3.61 H new HETATM 0 H62 COA A 87 23.865 6.820 -1.477 1.00 4.74 H new HETATM 0 H61 COA A 87 22.736 6.460 -0.186 1.00 4.74 H new HETATM 0 H4B COA A 87 22.790 3.834 -10.483 1.00 0.56 H new HETATM 0 H3B COA A 87 22.206 6.344 -11.037 1.00 0.53 H new HETATM 0 H32 COA A 87 27.384 4.588 0.515 1.00 2.36 H new HETATM 0 H31 COA A 87 26.313 3.432 1.283 1.00 2.36 H new HETATM 0 H2B COA A 87 20.217 6.800 -9.718 1.00 0.52 H new HETATM 0 H2A COA A 87 17.357 0.946 -7.280 1.00 0.67 H new HETATM 0 H22 COA A 87 26.837 3.605 -1.765 1.00 2.63 H new HETATM 0 H21 COA A 87 27.547 2.386 -0.726 1.00 2.63 H new HETATM 0 H1B COA A 87 19.145 4.079 -10.226 1.00 0.44 H new HETATM 0 H10 COA A 87 26.701 5.090 -4.181 1.00 1.28 H new HETATM 1472 C1 PLM A 88 25.591 1.426 -2.858 1.00 2.12 C HETATM 1473 O2 PLM A 88 26.735 1.350 -3.268 1.00 3.18 O HETATM 1474 C2 PLM A 88 24.448 1.093 -3.840 1.00 1.17 C HETATM 1475 C3 PLM A 88 23.037 0.967 -3.322 1.00 0.63 C HETATM 1476 C4 PLM A 88 22.120 0.559 -4.549 1.00 0.59 C HETATM 1477 C5 PLM A 88 22.365 1.459 -5.828 1.00 1.20 C HETATM 1478 C6 PLM A 88 21.885 0.848 -7.043 1.00 1.28 C HETATM 1479 C7 PLM A 88 20.412 0.785 -7.048 1.00 0.79 C HETATM 1480 C8 PLM A 88 19.860 -0.408 -6.255 1.00 2.58 C HETATM 1481 C9 PLM A 88 20.500 -1.683 -6.757 1.00 3.62 C HETATM 1482 CA PLM A 88 20.233 -1.736 -8.262 1.00 3.55 C HETATM 1483 CB PLM A 88 21.371 -1.250 -9.163 1.00 2.69 C HETATM 1484 CC PLM A 88 21.593 -2.344 -10.245 1.00 2.47 C HETATM 1485 CD PLM A 88 22.579 -1.930 -11.236 1.00 0.93 C HETATM 1486 CE PLM A 88 23.895 -1.694 -10.505 1.00 0.32 C HETATM 1487 CF PLM A 88 25.237 -2.147 -11.272 1.00 0.16 C HETATM 1488 CG PLM A 88 25.306 -3.620 -11.474 1.00 0.23 C HETATM 0 HG3 PLM A 88 25.287 -4.121 -10.506 1.00 0.23 H new HETATM 0 HG2 PLM A 88 24.453 -3.946 -12.069 1.00 0.23 H new HETATM 0 HG1 PLM A 88 26.229 -3.873 -11.995 1.00 0.23 H new HETATM 0 HF2 PLM A 88 25.285 -1.648 -12.240 1.00 0.16 H new HETATM 0 HF1 PLM A 88 26.106 -1.820 -10.701 1.00 0.16 H new HETATM 0 HE2 PLM A 88 23.974 -0.630 -10.280 1.00 0.32 H new HETATM 0 HE1 PLM A 88 23.854 -2.220 -9.551 1.00 0.32 H new HETATM 0 HD2 PLM A 88 22.698 -2.697 -12.001 1.00 0.93 H new HETATM 0 HD1 PLM A 88 22.254 -1.021 -11.743 1.00 0.93 H new HETATM 0 HC2 PLM A 88 21.922 -3.267 -9.767 1.00 2.47 H new HETATM 0 HC1 PLM A 88 20.647 -2.562 -10.741 1.00 2.47 H new HETATM 0 HB2 PLM A 88 21.116 -0.296 -9.625 1.00 2.69 H new HETATM 0 HB1 PLM A 88 22.280 -1.091 -8.584 1.00 2.69 H new HETATM 0 HA2 PLM A 88 19.996 -2.765 -8.533 1.00 3.55 H new HETATM 0 HA1 PLM A 88 19.347 -1.138 -8.475 1.00 3.55 H new HETATM 0 H92 PLM A 88 21.571 -1.687 -6.552 1.00 3.62 H new HETATM 0 H91 PLM A 88 20.076 -2.554 -6.256 1.00 3.62 H new HETATM 0 H82 PLM A 88 20.065 -0.279 -5.192 1.00 2.58 H new HETATM 0 H81 PLM A 88 18.777 -0.463 -6.366 1.00 2.58 H new HETATM 0 H72 PLM A 88 20.013 1.709 -6.629 1.00 0.79 H new HETATM 0 H71 PLM A 88 20.060 0.724 -8.078 1.00 0.79 H new HETATM 0 H62 PLM A 88 22.232 1.418 -7.905 1.00 1.28 H new HETATM 0 H61 PLM A 88 22.297 -0.157 -7.138 1.00 1.28 H new HETATM 0 H52 PLM A 88 21.870 2.420 -5.690 1.00 1.20 H new HETATM 0 H51 PLM A 88 23.432 1.661 -5.925 1.00 1.20 H new HETATM 0 H42 PLM A 88 22.306 -0.484 -4.804 1.00 0.59 H new HETATM 0 H41 PLM A 88 21.073 0.633 -4.254 1.00 0.59 H new HETATM 0 H32 PLM A 88 22.982 0.215 -2.535 1.00 0.63 H new HETATM 0 H31 PLM A 88 22.701 1.909 -2.888 1.00 0.63 H new HETATM 0 H22 PLM A 88 24.445 1.863 -4.611 1.00 1.17 H new HETATM 0 H21 PLM A 88 24.701 0.153 -4.329 1.00 1.17 H new