USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 789 hydrogens (0 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 23 SER OG : rot 130:sc= -0.673! USER MOD Set 1.2: A 55 LYS NZ :NH3+ -174:sc= 0.892 (180deg=1.09) USER MOD Set 2.1: A 7 SER OG : rot 106:sc= 1.23 USER MOD Set 2.2: A 10 GLN :FLIP amide:sc= 1 F(o=-4.5,f=2.2) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.0175 (180deg=-0.235) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -3.16! C(o=-3.2!,f=-7.9!) USER MOD Single : A 17 GLN : amide:sc= -0.949 K(o=-0.95,f=-1.5) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.0324 F(o=-1,f=-0.032) USER MOD Single : A 24 ASN : amide:sc= -1.48! C(o=-1.5!,f=-15!) USER MOD Single : A 27 ASN : amide:sc= -1.72! C(o=-1.7!,f=-11!) USER MOD Single : A 28 MET CE :methyl 161:sc= -0.127 (180deg=-0.643) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -100:sc= -1.07 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -69:sc= -0.283! USER MOD Single : A 58 ASN : amide:sc= -0.0864 X(o=-0.086,f=-0.019) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -175:sc= 0.978 (180deg=0.88) USER MOD Single : A 64 THR OG1 : rot -129:sc= 0.46 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.213 K(o=-0.21,f=-11!) USER MOD Single : A 71 LYS NZ :NH3+ 149:sc= 1.31 (180deg=0.861) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.103) USER MOD Single : A 79 SER OG : rot -85:sc= 0.124 USER MOD Single : A 81 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.038) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= -1.53 K(o=-1.5,f=-8.1!) USER MOD Single : A 90 HIS : no HE2:sc= -0.0191 K(o=-0.019,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.466 -0.303 -0.098 1.00 53.14 N ATOM 2 CA MET A 1 2.460 -1.406 0.009 1.00 13.01 C ATOM 3 C MET A 1 2.535 -1.957 1.441 1.00 52.33 C ATOM 4 O MET A 1 3.022 -1.282 2.345 1.00 62.21 O ATOM 5 CB MET A 1 3.850 -0.910 -0.423 1.00 5.42 C ATOM 6 CG MET A 1 4.950 -1.961 -0.288 1.00 44.44 C ATOM 7 SD MET A 1 6.600 -1.304 -0.616 1.00 21.15 S ATOM 8 CE MET A 1 6.463 -0.860 -2.345 1.00 0.23 C ATOM 0 H1 MET A 1 1.440 0.047 -1.077 1.00 53.14 H new ATOM 0 H2 MET A 1 0.525 -0.657 0.169 1.00 53.14 H new ATOM 0 H3 MET A 1 1.738 0.472 0.540 1.00 53.14 H new ATOM 0 HA MET A 1 2.135 -2.210 -0.652 1.00 13.01 H new ATOM 0 HB2 MET A 1 3.801 -0.580 -1.461 1.00 5.42 H new ATOM 0 HB3 MET A 1 4.117 -0.039 0.176 1.00 5.42 H new ATOM 0 HG2 MET A 1 4.925 -2.378 0.719 1.00 44.44 H new ATOM 0 HG3 MET A 1 4.748 -2.781 -0.977 1.00 44.44 H new ATOM 0 HE1 MET A 1 7.455 -0.659 -2.749 1.00 0.23 H new ATOM 0 HE2 MET A 1 6.006 -1.682 -2.897 1.00 0.23 H new ATOM 0 HE3 MET A 1 5.844 0.032 -2.444 1.00 0.23 H new ATOM 20 N THR A 2 2.054 -3.182 1.644 1.00 71.31 N ATOM 21 CA THR A 2 2.177 -3.847 2.951 1.00 33.12 C ATOM 22 C THR A 2 3.613 -4.335 3.181 1.00 23.13 C ATOM 23 O THR A 2 4.190 -4.124 4.251 1.00 4.05 O ATOM 24 CB THR A 2 1.215 -5.057 3.083 1.00 65.13 C ATOM 25 OG1 THR A 2 -0.146 -4.637 2.883 1.00 2.21 O ATOM 26 CG2 THR A 2 1.341 -5.719 4.455 1.00 2.22 C ATOM 0 H THR A 2 1.579 -3.735 0.931 1.00 71.31 H new ATOM 0 HA THR A 2 1.910 -3.104 3.702 1.00 33.12 H new ATOM 0 HB THR A 2 1.492 -5.783 2.318 1.00 65.13 H new ATOM 0 HG1 THR A 2 -0.743 -5.410 2.967 1.00 2.21 H new ATOM 0 HG21 THR A 2 0.654 -6.563 4.516 1.00 2.22 H new ATOM 0 HG22 THR A 2 2.363 -6.071 4.596 1.00 2.22 H new ATOM 0 HG23 THR A 2 1.096 -4.995 5.232 1.00 2.22 H new ATOM 34 N ALA A 3 4.182 -4.980 2.156 1.00 54.20 N ATOM 35 CA ALA A 3 5.540 -5.540 2.227 1.00 3.00 C ATOM 36 C ALA A 3 5.657 -6.598 3.338 1.00 24.01 C ATOM 37 O ALA A 3 4.653 -7.147 3.798 1.00 23.12 O ATOM 38 CB ALA A 3 6.559 -4.421 2.433 1.00 24.22 C ATOM 0 H ALA A 3 3.719 -5.129 1.259 1.00 54.20 H new ATOM 0 HA ALA A 3 5.751 -6.038 1.281 1.00 3.00 H new ATOM 0 HB1 ALA A 3 7.561 -4.846 2.484 1.00 24.22 H new ATOM 0 HB2 ALA A 3 6.504 -3.721 1.599 1.00 24.22 H new ATOM 0 HB3 ALA A 3 6.340 -3.896 3.363 1.00 24.22 H new ATOM 44 N ALA A 4 6.886 -6.905 3.748 1.00 43.33 N ATOM 45 CA ALA A 4 7.119 -7.803 4.882 1.00 54.15 C ATOM 46 C ALA A 4 7.711 -7.035 6.076 1.00 64.31 C ATOM 47 O ALA A 4 8.930 -6.949 6.228 1.00 54.03 O ATOM 48 CB ALA A 4 8.032 -8.955 4.475 1.00 35.31 C ATOM 0 H ALA A 4 7.736 -6.547 3.314 1.00 43.33 H new ATOM 0 HA ALA A 4 6.159 -8.218 5.190 1.00 54.15 H new ATOM 0 HB1 ALA A 4 8.193 -9.611 5.330 1.00 35.31 H new ATOM 0 HB2 ALA A 4 7.567 -9.520 3.667 1.00 35.31 H new ATOM 0 HB3 ALA A 4 8.989 -8.558 4.136 1.00 35.31 H new ATOM 54 N PRO A 5 6.852 -6.439 6.930 1.00 61.22 N ATOM 55 CA PRO A 5 7.291 -5.666 8.111 1.00 34.23 C ATOM 56 C PRO A 5 7.881 -6.533 9.244 1.00 64.34 C ATOM 57 O PRO A 5 7.647 -6.261 10.422 1.00 32.12 O ATOM 58 CB PRO A 5 5.994 -4.971 8.585 1.00 22.23 C ATOM 59 CG PRO A 5 5.024 -5.130 7.462 1.00 43.54 C ATOM 60 CD PRO A 5 5.387 -6.427 6.803 1.00 3.22 C ATOM 0 HA PRO A 5 8.101 -4.984 7.852 1.00 34.23 H new ATOM 0 HB2 PRO A 5 5.615 -5.428 9.499 1.00 22.23 H new ATOM 0 HB3 PRO A 5 6.171 -3.918 8.805 1.00 22.23 H new ATOM 0 HG2 PRO A 5 3.998 -5.149 7.829 1.00 43.54 H new ATOM 0 HG3 PRO A 5 5.096 -4.299 6.760 1.00 43.54 H new ATOM 0 HD2 PRO A 5 4.928 -7.280 7.302 1.00 3.22 H new ATOM 0 HD3 PRO A 5 5.068 -6.458 5.761 1.00 3.22 H new ATOM 68 N ALA A 6 8.665 -7.557 8.891 1.00 44.12 N ATOM 69 CA ALA A 6 9.339 -8.397 9.891 1.00 21.10 C ATOM 70 C ALA A 6 10.292 -7.563 10.758 1.00 44.10 C ATOM 71 O ALA A 6 10.614 -7.929 11.890 1.00 41.43 O ATOM 72 CB ALA A 6 10.092 -9.533 9.210 1.00 1.25 C ATOM 0 H ALA A 6 8.849 -7.825 7.924 1.00 44.12 H new ATOM 0 HA ALA A 6 8.578 -8.825 10.543 1.00 21.10 H new ATOM 0 HB1 ALA A 6 10.586 -10.146 9.964 1.00 1.25 H new ATOM 0 HB2 ALA A 6 9.391 -10.147 8.645 1.00 1.25 H new ATOM 0 HB3 ALA A 6 10.839 -9.120 8.533 1.00 1.25 H new ATOM 78 N SER A 7 10.759 -6.450 10.201 1.00 23.33 N ATOM 79 CA SER A 7 11.532 -5.462 10.955 1.00 41.32 C ATOM 80 C SER A 7 10.603 -4.382 11.544 1.00 2.55 C ATOM 81 O SER A 7 10.002 -3.591 10.808 1.00 75.35 O ATOM 82 CB SER A 7 12.604 -4.825 10.063 1.00 43.32 C ATOM 83 OG SER A 7 12.074 -4.457 8.801 1.00 14.12 O ATOM 0 H SER A 7 10.615 -6.206 9.221 1.00 23.33 H new ATOM 0 HA SER A 7 12.030 -5.971 11.780 1.00 41.32 H new ATOM 0 HB2 SER A 7 13.015 -3.945 10.557 1.00 43.32 H new ATOM 0 HB3 SER A 7 13.427 -5.526 9.923 1.00 43.32 H new ATOM 0 HG SER A 7 11.970 -3.483 8.761 1.00 14.12 H new ATOM 89 N PRO A 8 10.487 -4.341 12.891 1.00 43.23 N ATOM 90 CA PRO A 8 9.545 -3.455 13.622 1.00 74.14 C ATOM 91 C PRO A 8 9.526 -1.985 13.159 1.00 3.53 C ATOM 92 O PRO A 8 8.518 -1.292 13.322 1.00 52.04 O ATOM 93 CB PRO A 8 10.042 -3.556 15.065 1.00 61.11 C ATOM 94 CG PRO A 8 10.596 -4.934 15.148 1.00 40.00 C ATOM 95 CD PRO A 8 11.273 -5.172 13.828 1.00 33.01 C ATOM 0 HA PRO A 8 8.515 -3.772 13.458 1.00 74.14 H new ATOM 0 HB2 PRO A 8 10.802 -2.805 15.281 1.00 61.11 H new ATOM 0 HB3 PRO A 8 9.233 -3.405 15.779 1.00 61.11 H new ATOM 0 HG2 PRO A 8 11.302 -5.025 15.974 1.00 40.00 H new ATOM 0 HG3 PRO A 8 9.806 -5.665 15.322 1.00 40.00 H new ATOM 0 HD2 PRO A 8 12.320 -4.871 13.852 1.00 33.01 H new ATOM 0 HD3 PRO A 8 11.251 -6.225 13.548 1.00 33.01 H new ATOM 103 N GLN A 9 10.629 -1.513 12.584 1.00 24.30 N ATOM 104 CA GLN A 9 10.742 -0.108 12.167 1.00 74.23 C ATOM 105 C GLN A 9 9.658 0.246 11.130 1.00 43.31 C ATOM 106 O GLN A 9 9.162 1.374 11.092 1.00 53.44 O ATOM 107 CB GLN A 9 12.143 0.176 11.585 1.00 25.33 C ATOM 108 CG GLN A 9 13.308 -0.094 12.545 1.00 44.11 C ATOM 109 CD GLN A 9 13.543 -1.577 12.804 1.00 72.53 C ATOM 110 OE1 GLN A 9 13.275 -2.415 11.953 1.00 13.11 O ATOM 111 NE2 GLN A 9 14.039 -1.913 13.977 1.00 71.43 N ATOM 0 H GLN A 9 11.458 -2.077 12.394 1.00 24.30 H new ATOM 0 HA GLN A 9 10.595 0.516 13.049 1.00 74.23 H new ATOM 0 HB2 GLN A 9 12.279 -0.433 10.691 1.00 25.33 H new ATOM 0 HB3 GLN A 9 12.185 1.219 11.270 1.00 25.33 H new ATOM 0 HG2 GLN A 9 14.217 0.345 12.134 1.00 44.11 H new ATOM 0 HG3 GLN A 9 13.112 0.407 13.493 1.00 44.11 H new ATOM 0 HE21 GLN A 9 14.252 -1.192 14.666 1.00 71.43 H new ATOM 0 HE22 GLN A 9 14.210 -2.894 14.196 1.00 71.43 H new ATOM 120 N GLN A 10 9.276 -0.739 10.314 1.00 42.01 N ATOM 121 CA GLN A 10 8.189 -0.569 9.339 1.00 54.14 C ATOM 122 C GLN A 10 6.836 -0.334 10.034 1.00 13.21 C ATOM 123 O GLN A 10 6.019 0.458 9.563 1.00 74.01 O ATOM 124 CB GLN A 10 8.103 -1.793 8.405 1.00 11.24 C ATOM 125 CG GLN A 10 9.001 -1.702 7.167 1.00 3.52 C ATOM 126 CD GLN A 10 10.482 -1.549 7.483 1.00 23.43 C ATOM 127 OE1 GLN A 10 10.942 -2.163 8.552 1.00 34.31 O flip ATOM 128 NE2 GLN A 10 11.219 -0.908 6.742 1.00 14.25 N flip ATOM 0 H GLN A 10 9.702 -1.666 10.307 1.00 42.01 H new ATOM 0 HA GLN A 10 8.417 0.315 8.744 1.00 54.14 H new ATOM 0 HB2 GLN A 10 8.371 -2.686 8.969 1.00 11.24 H new ATOM 0 HB3 GLN A 10 7.069 -1.918 8.082 1.00 11.24 H new ATOM 0 HG2 GLN A 10 8.860 -2.598 6.563 1.00 3.52 H new ATOM 0 HG3 GLN A 10 8.681 -0.855 6.560 1.00 3.52 H new ATOM 0 HE21 GLN A 10 10.835 -0.442 5.920 1.00 14.25 H new ATOM 0 HE22 GLN A 10 12.216 -0.841 6.948 1.00 14.25 H new ATOM 137 N ILE A 11 6.612 -1.006 11.165 1.00 41.30 N ATOM 138 CA ILE A 11 5.367 -0.840 11.928 1.00 72.41 C ATOM 139 C ILE A 11 5.220 0.614 12.397 1.00 41.44 C ATOM 140 O ILE A 11 4.164 1.231 12.235 1.00 61.53 O ATOM 141 CB ILE A 11 5.304 -1.793 13.163 1.00 33.43 C ATOM 142 CG1 ILE A 11 5.105 -3.262 12.730 1.00 41.43 C ATOM 143 CG2 ILE A 11 4.196 -1.367 14.130 1.00 40.44 C ATOM 144 CD1 ILE A 11 6.287 -3.866 11.999 1.00 41.50 C ATOM 0 H ILE A 11 7.271 -1.668 11.574 1.00 41.30 H new ATOM 0 HA ILE A 11 4.545 -1.099 11.261 1.00 72.41 H new ATOM 0 HB ILE A 11 6.260 -1.719 13.681 1.00 33.43 H new ATOM 0 HG12 ILE A 11 4.895 -3.863 13.615 1.00 41.43 H new ATOM 0 HG13 ILE A 11 4.227 -3.323 12.087 1.00 41.43 H new ATOM 0 HG21 ILE A 11 4.174 -2.048 14.981 1.00 40.44 H new ATOM 0 HG22 ILE A 11 4.389 -0.353 14.481 1.00 40.44 H new ATOM 0 HG23 ILE A 11 3.235 -1.396 13.617 1.00 40.44 H new ATOM 0 HD11 ILE A 11 6.061 -4.898 11.732 1.00 41.50 H new ATOM 0 HD12 ILE A 11 6.486 -3.293 11.094 1.00 41.50 H new ATOM 0 HD13 ILE A 11 7.165 -3.842 12.644 1.00 41.50 H new ATOM 156 N ARG A 12 6.297 1.164 12.956 1.00 64.22 N ATOM 157 CA ARG A 12 6.300 2.559 13.405 1.00 62.41 C ATOM 158 C ARG A 12 6.125 3.522 12.217 1.00 11.52 C ATOM 159 O ARG A 12 5.371 4.489 12.301 1.00 74.51 O ATOM 160 CB ARG A 12 7.599 2.880 14.164 1.00 63.03 C ATOM 161 CG ARG A 12 7.580 4.242 14.857 1.00 65.13 C ATOM 162 CD ARG A 12 8.823 4.475 15.712 1.00 24.12 C ATOM 163 NE ARG A 12 10.032 4.645 14.908 1.00 1.32 N ATOM 164 CZ ARG A 12 11.191 4.988 15.403 1.00 23.44 C ATOM 165 NH1 ARG A 12 11.344 5.127 16.684 1.00 34.02 N1+ ATOM 166 NH2 ARG A 12 12.200 5.178 14.617 1.00 52.35 N ATOM 0 H ARG A 12 7.176 0.669 13.109 1.00 64.22 H new ATOM 0 HA ARG A 12 5.457 2.695 14.082 1.00 62.41 H new ATOM 0 HB2 ARG A 12 7.776 2.105 14.909 1.00 63.03 H new ATOM 0 HB3 ARG A 12 8.436 2.848 13.466 1.00 63.03 H new ATOM 0 HG2 ARG A 12 7.506 5.028 14.106 1.00 65.13 H new ATOM 0 HG3 ARG A 12 6.691 4.316 15.484 1.00 65.13 H new ATOM 0 HD2 ARG A 12 8.674 5.360 16.330 1.00 24.12 H new ATOM 0 HD3 ARG A 12 8.957 3.632 16.390 1.00 24.12 H new ATOM 0 HE ARG A 12 9.967 4.487 13.902 1.00 1.32 H new ATOM 0 HH11 ARG A 12 10.556 4.968 17.312 1.00 34.02 H new ATOM 0 HH12 ARG A 12 12.252 5.395 17.063 1.00 34.02 H new ATOM 0 HH21 ARG A 12 12.091 5.060 13.610 1.00 52.35 H new ATOM 0 HH22 ARG A 12 13.105 5.446 15.004 1.00 52.35 H new ATOM 180 N ASP A 13 6.814 3.238 11.112 1.00 53.45 N ATOM 181 CA ASP A 13 6.720 4.054 9.893 1.00 3.35 C ATOM 182 C ASP A 13 5.263 4.155 9.392 1.00 43.10 C ATOM 183 O ASP A 13 4.759 5.249 9.123 1.00 11.54 O ATOM 184 CB ASP A 13 7.618 3.452 8.803 1.00 35.22 C ATOM 185 CG ASP A 13 7.610 4.264 7.518 1.00 54.12 C ATOM 186 OD1 ASP A 13 8.577 5.011 7.269 1.00 40.15 O ATOM 187 OD2 ASP A 13 6.639 4.150 6.741 1.00 23.42 O1- ATOM 0 H ASP A 13 7.449 2.444 11.032 1.00 53.45 H new ATOM 0 HA ASP A 13 7.057 5.063 10.128 1.00 3.35 H new ATOM 0 HB2 ASP A 13 8.639 3.383 9.177 1.00 35.22 H new ATOM 0 HB3 ASP A 13 7.288 2.436 8.587 1.00 35.22 H new ATOM 192 N ARG A 14 4.591 3.007 9.275 1.00 4.35 N ATOM 193 CA ARG A 14 3.187 2.964 8.836 1.00 42.32 C ATOM 194 C ARG A 14 2.252 3.715 9.807 1.00 54.05 C ATOM 195 O ARG A 14 1.217 4.243 9.402 1.00 32.20 O ATOM 196 CB ARG A 14 2.697 1.513 8.674 1.00 31.45 C ATOM 197 CG ARG A 14 2.912 0.896 7.285 1.00 30.54 C ATOM 198 CD ARG A 14 4.320 0.330 7.075 1.00 13.21 C ATOM 199 NE ARG A 14 5.271 1.309 6.540 1.00 51.54 N ATOM 200 CZ ARG A 14 6.250 1.000 5.728 1.00 15.00 C ATOM 201 NH1 ARG A 14 6.414 -0.221 5.324 1.00 11.35 N1+ ATOM 202 NH2 ARG A 14 7.054 1.913 5.304 1.00 33.42 N ATOM 0 H ARG A 14 4.994 2.092 9.478 1.00 4.35 H new ATOM 0 HA ARG A 14 3.152 3.465 7.869 1.00 42.32 H new ATOM 0 HB2 ARG A 14 3.205 0.892 9.411 1.00 31.45 H new ATOM 0 HB3 ARG A 14 1.633 1.479 8.907 1.00 31.45 H new ATOM 0 HG2 ARG A 14 2.183 0.100 7.134 1.00 30.54 H new ATOM 0 HG3 ARG A 14 2.718 1.654 6.526 1.00 30.54 H new ATOM 0 HD2 ARG A 14 4.696 -0.048 8.026 1.00 13.21 H new ATOM 0 HD3 ARG A 14 4.264 -0.519 6.394 1.00 13.21 H new ATOM 0 HE ARG A 14 5.164 2.285 6.816 1.00 51.54 H new ATOM 0 HH11 ARG A 14 5.777 -0.952 5.639 1.00 11.35 H new ATOM 0 HH12 ARG A 14 7.180 -0.450 4.691 1.00 11.35 H new ATOM 0 HH21 ARG A 14 6.929 2.881 5.601 1.00 33.42 H new ATOM 0 HH22 ARG A 14 7.816 1.668 4.671 1.00 33.42 H new ATOM 216 N LEU A 15 2.608 3.731 11.088 1.00 73.22 N ATOM 217 CA LEU A 15 1.757 4.318 12.137 1.00 13.41 C ATOM 218 C LEU A 15 1.461 5.818 11.904 1.00 62.33 C ATOM 219 O LEU A 15 0.327 6.271 12.086 1.00 60.41 O ATOM 220 CB LEU A 15 2.427 4.130 13.509 1.00 51.22 C ATOM 221 CG LEU A 15 1.595 4.573 14.724 1.00 31.13 C ATOM 222 CD1 LEU A 15 0.338 3.717 14.857 1.00 65.30 C ATOM 223 CD2 LEU A 15 2.434 4.516 16.000 1.00 11.21 C ATOM 0 H LEU A 15 3.486 3.343 11.434 1.00 73.22 H new ATOM 0 HA LEU A 15 0.801 3.796 12.103 1.00 13.41 H new ATOM 0 HB2 LEU A 15 2.678 3.076 13.629 1.00 51.22 H new ATOM 0 HB3 LEU A 15 3.366 4.684 13.513 1.00 51.22 H new ATOM 0 HG LEU A 15 1.284 5.606 14.570 1.00 31.13 H new ATOM 0 HD11 LEU A 15 -0.237 4.047 15.723 1.00 65.30 H new ATOM 0 HD12 LEU A 15 -0.269 3.820 13.958 1.00 65.30 H new ATOM 0 HD13 LEU A 15 0.621 2.672 14.986 1.00 65.30 H new ATOM 0 HD21 LEU A 15 1.828 4.833 16.849 1.00 11.21 H new ATOM 0 HD22 LEU A 15 2.780 3.495 16.163 1.00 11.21 H new ATOM 0 HD23 LEU A 15 3.293 5.179 15.900 1.00 11.21 H new ATOM 235 N LEU A 16 2.473 6.577 11.485 1.00 44.31 N ATOM 236 CA LEU A 16 2.361 8.046 11.375 1.00 64.25 C ATOM 237 C LEU A 16 1.283 8.512 10.373 1.00 2.35 C ATOM 238 O LEU A 16 0.722 9.599 10.523 1.00 74.22 O ATOM 239 CB LEU A 16 3.722 8.668 11.009 1.00 21.35 C ATOM 240 CG LEU A 16 4.726 8.821 12.171 1.00 23.03 C ATOM 241 CD1 LEU A 16 4.139 9.684 13.287 1.00 41.23 C ATOM 242 CD2 LEU A 16 5.157 7.460 12.713 1.00 62.54 C ATOM 0 H LEU A 16 3.384 6.206 11.214 1.00 44.31 H new ATOM 0 HA LEU A 16 2.045 8.395 12.358 1.00 64.25 H new ATOM 0 HB2 LEU A 16 4.183 8.056 10.234 1.00 21.35 H new ATOM 0 HB3 LEU A 16 3.545 9.652 10.575 1.00 21.35 H new ATOM 0 HG LEU A 16 5.612 9.322 11.780 1.00 23.03 H new ATOM 0 HD11 LEU A 16 4.865 9.777 14.095 1.00 41.23 H new ATOM 0 HD12 LEU A 16 3.902 10.673 12.896 1.00 41.23 H new ATOM 0 HD13 LEU A 16 3.230 9.218 13.668 1.00 41.23 H new ATOM 0 HD21 LEU A 16 5.864 7.601 13.530 1.00 62.54 H new ATOM 0 HD22 LEU A 16 4.283 6.921 13.078 1.00 62.54 H new ATOM 0 HD23 LEU A 16 5.632 6.885 11.918 1.00 62.54 H new ATOM 254 N GLN A 17 1.002 7.718 9.341 1.00 54.13 N ATOM 255 CA GLN A 17 -0.034 8.091 8.362 1.00 41.35 C ATOM 256 C GLN A 17 -1.454 7.829 8.899 1.00 1.25 C ATOM 257 O GLN A 17 -2.441 8.321 8.344 1.00 15.41 O ATOM 258 CB GLN A 17 0.198 7.377 7.011 1.00 54.05 C ATOM 259 CG GLN A 17 0.215 5.849 7.075 1.00 22.13 C ATOM 260 CD GLN A 17 -1.170 5.218 7.128 1.00 14.21 C ATOM 261 OE1 GLN A 17 -2.134 5.740 6.573 1.00 60.14 O ATOM 262 NE2 GLN A 17 -1.278 4.093 7.803 1.00 61.12 N ATOM 0 H GLN A 17 1.464 6.827 9.157 1.00 54.13 H new ATOM 0 HA GLN A 17 0.049 9.165 8.193 1.00 41.35 H new ATOM 0 HB2 GLN A 17 -0.583 7.687 6.316 1.00 54.05 H new ATOM 0 HB3 GLN A 17 1.147 7.718 6.597 1.00 54.05 H new ATOM 0 HG2 GLN A 17 0.746 5.465 6.204 1.00 22.13 H new ATOM 0 HG3 GLN A 17 0.779 5.538 7.954 1.00 22.13 H new ATOM 0 HE21 GLN A 17 -0.457 3.687 8.252 1.00 61.12 H new ATOM 0 HE22 GLN A 17 -2.183 3.628 7.877 1.00 61.12 H new ATOM 271 N ALA A 18 -1.549 7.068 9.990 1.00 75.44 N ATOM 272 CA ALA A 18 -2.847 6.702 10.573 1.00 24.03 C ATOM 273 C ALA A 18 -3.196 7.550 11.813 1.00 13.32 C ATOM 274 O ALA A 18 -4.375 7.737 12.133 1.00 34.35 O ATOM 275 CB ALA A 18 -2.854 5.219 10.926 1.00 34.41 C ATOM 0 H ALA A 18 -0.744 6.691 10.490 1.00 75.44 H new ATOM 0 HA ALA A 18 -3.612 6.906 9.824 1.00 24.03 H new ATOM 0 HB1 ALA A 18 -3.819 4.952 11.358 1.00 34.41 H new ATOM 0 HB2 ALA A 18 -2.685 4.630 10.025 1.00 34.41 H new ATOM 0 HB3 ALA A 18 -2.064 5.013 11.648 1.00 34.41 H new ATOM 281 N ILE A 19 -2.175 8.055 12.514 1.00 43.42 N ATOM 282 CA ILE A 19 -2.384 8.889 13.714 1.00 71.52 C ATOM 283 C ILE A 19 -1.351 10.027 13.802 1.00 30.03 C ATOM 284 O ILE A 19 -0.281 9.955 13.200 1.00 52.13 O ATOM 285 CB ILE A 19 -2.297 8.058 15.030 1.00 4.41 C ATOM 286 CG1 ILE A 19 -0.872 7.518 15.250 1.00 13.23 C ATOM 287 CG2 ILE A 19 -3.310 6.912 15.025 1.00 24.11 C ATOM 288 CD1 ILE A 19 -0.680 6.827 16.588 1.00 23.21 C ATOM 0 H ILE A 19 -1.195 7.904 12.276 1.00 43.42 H new ATOM 0 HA ILE A 19 -3.387 9.303 13.612 1.00 71.52 H new ATOM 0 HB ILE A 19 -2.541 8.724 15.858 1.00 4.41 H new ATOM 0 HG12 ILE A 19 -0.632 6.816 14.451 1.00 13.23 H new ATOM 0 HG13 ILE A 19 -0.164 8.343 15.173 1.00 13.23 H new ATOM 0 HG21 ILE A 19 -3.227 6.349 15.955 1.00 24.11 H new ATOM 0 HG22 ILE A 19 -4.318 7.318 14.935 1.00 24.11 H new ATOM 0 HG23 ILE A 19 -3.108 6.251 14.182 1.00 24.11 H new ATOM 0 HD11 ILE A 19 0.348 6.473 16.671 1.00 23.21 H new ATOM 0 HD12 ILE A 19 -0.888 7.531 17.394 1.00 23.21 H new ATOM 0 HD13 ILE A 19 -1.362 5.980 16.661 1.00 23.21 H new ATOM 300 N ASP A 20 -1.676 11.075 14.560 1.00 4.25 N ATOM 301 CA ASP A 20 -0.711 12.148 14.840 1.00 60.21 C ATOM 302 C ASP A 20 0.224 11.738 15.994 1.00 13.12 C ATOM 303 O ASP A 20 -0.075 10.802 16.744 1.00 30.42 O ATOM 304 CB ASP A 20 -1.429 13.456 15.212 1.00 34.22 C ATOM 305 CG ASP A 20 -2.317 13.986 14.104 1.00 73.25 C ATOM 306 OD1 ASP A 20 -3.538 14.122 14.326 1.00 44.44 O ATOM 307 OD2 ASP A 20 -1.799 14.281 13.005 1.00 65.04 O1- ATOM 0 H ASP A 20 -2.592 11.207 14.990 1.00 4.25 H new ATOM 0 HA ASP A 20 -0.127 12.313 13.935 1.00 60.21 H new ATOM 0 HB2 ASP A 20 -2.032 13.290 16.105 1.00 34.22 H new ATOM 0 HB3 ASP A 20 -0.685 14.212 15.466 1.00 34.22 H new ATOM 312 N PRO A 21 1.369 12.433 16.164 1.00 42.11 N ATOM 313 CA PRO A 21 2.281 12.195 17.302 1.00 24.23 C ATOM 314 C PRO A 21 1.581 12.252 18.678 1.00 53.13 C ATOM 315 O PRO A 21 2.140 11.820 19.689 1.00 35.44 O ATOM 316 CB PRO A 21 3.316 13.322 17.166 1.00 51.42 C ATOM 317 CG PRO A 21 3.311 13.659 15.713 1.00 20.43 C ATOM 318 CD PRO A 21 1.889 13.473 15.252 1.00 10.35 C ATOM 0 HA PRO A 21 2.708 11.193 17.268 1.00 24.23 H new ATOM 0 HB2 PRO A 21 3.046 14.185 17.775 1.00 51.42 H new ATOM 0 HB3 PRO A 21 4.303 12.997 17.495 1.00 51.42 H new ATOM 0 HG2 PRO A 21 3.644 14.684 15.548 1.00 20.43 H new ATOM 0 HG3 PRO A 21 3.989 13.010 15.159 1.00 20.43 H new ATOM 0 HD2 PRO A 21 1.317 14.398 15.329 1.00 10.35 H new ATOM 0 HD3 PRO A 21 1.842 13.155 14.211 1.00 10.35 H new ATOM 326 N GLN A 22 0.352 12.769 18.704 1.00 73.02 N ATOM 327 CA GLN A 22 -0.440 12.859 19.937 1.00 41.44 C ATOM 328 C GLN A 22 -1.157 11.536 20.271 1.00 74.32 C ATOM 329 O GLN A 22 -1.999 11.496 21.168 1.00 24.15 O ATOM 330 CB GLN A 22 -1.471 13.994 19.809 1.00 22.45 C ATOM 331 CG GLN A 22 -0.850 15.387 19.779 1.00 71.22 C ATOM 332 CD GLN A 22 -0.212 15.779 21.103 1.00 2.31 C ATOM 333 OE1 GLN A 22 -0.800 15.353 22.205 1.00 3.23 O flip ATOM 334 NE2 GLN A 22 0.792 16.484 21.140 1.00 43.12 N flip ATOM 0 H GLN A 22 -0.122 13.136 17.879 1.00 73.02 H new ATOM 0 HA GLN A 22 0.250 13.070 20.754 1.00 41.44 H new ATOM 0 HB2 GLN A 22 -2.051 13.845 18.898 1.00 22.45 H new ATOM 0 HB3 GLN A 22 -2.169 13.935 20.644 1.00 22.45 H new ATOM 0 HG2 GLN A 22 -0.096 15.427 18.992 1.00 71.22 H new ATOM 0 HG3 GLN A 22 -1.618 16.116 19.521 1.00 71.22 H new ATOM 0 HE21 GLN A 22 1.226 16.799 20.272 1.00 43.12 H new ATOM 0 HE22 GLN A 22 1.192 16.755 22.038 1.00 43.12 H new ATOM 343 N SER A 23 -0.826 10.460 19.547 1.00 22.43 N ATOM 344 CA SER A 23 -1.389 9.121 19.822 1.00 24.01 C ATOM 345 C SER A 23 -2.913 9.091 19.603 1.00 52.43 C ATOM 346 O SER A 23 -3.637 8.332 20.250 1.00 21.33 O ATOM 347 CB SER A 23 -1.059 8.687 21.262 1.00 75.21 C ATOM 348 OG SER A 23 0.338 8.748 21.518 1.00 2.41 O ATOM 0 H SER A 23 -0.172 10.485 18.765 1.00 22.43 H new ATOM 0 HA SER A 23 -0.933 8.422 19.120 1.00 24.01 H new ATOM 0 HB2 SER A 23 -1.587 9.329 21.967 1.00 75.21 H new ATOM 0 HB3 SER A 23 -1.416 7.671 21.428 1.00 75.21 H new ATOM 0 HG SER A 23 0.497 9.243 22.349 1.00 2.41 H new ATOM 354 N ASN A 24 -3.377 9.900 18.655 1.00 0.55 N ATOM 355 CA ASN A 24 -4.812 10.093 18.390 1.00 21.43 C ATOM 356 C ASN A 24 -5.238 9.482 17.040 1.00 75.32 C ATOM 357 O ASN A 24 -4.612 9.731 16.011 1.00 41.23 O ATOM 358 CB ASN A 24 -5.133 11.595 18.400 1.00 64.51 C ATOM 359 CG ASN A 24 -4.180 12.392 17.523 1.00 73.32 C ATOM 360 OD1 ASN A 24 -2.998 12.093 17.437 1.00 41.45 O ATOM 361 ND2 ASN A 24 -4.681 13.400 16.850 1.00 4.13 N ATOM 0 H ASN A 24 -2.771 10.446 18.042 1.00 0.55 H new ATOM 0 HA ASN A 24 -5.369 9.580 19.174 1.00 21.43 H new ATOM 0 HB2 ASN A 24 -6.156 11.749 18.055 1.00 64.51 H new ATOM 0 HB3 ASN A 24 -5.082 11.969 19.423 1.00 64.51 H new ATOM 0 HD21 ASN A 24 -4.081 13.954 16.239 1.00 4.13 H new ATOM 0 HD22 ASN A 24 -5.671 13.630 16.938 1.00 4.13 H new ATOM 368 N ILE A 25 -6.322 8.705 17.054 1.00 12.51 N ATOM 369 CA ILE A 25 -6.840 8.055 15.840 1.00 72.00 C ATOM 370 C ILE A 25 -7.319 9.071 14.791 1.00 70.04 C ATOM 371 O ILE A 25 -8.211 9.880 15.051 1.00 71.42 O ATOM 372 CB ILE A 25 -8.013 7.086 16.172 1.00 53.24 C ATOM 373 CG1 ILE A 25 -7.495 5.833 16.894 1.00 5.33 C ATOM 374 CG2 ILE A 25 -8.786 6.694 14.908 1.00 45.11 C ATOM 375 CD1 ILE A 25 -6.618 4.949 16.028 1.00 13.55 C ATOM 0 H ILE A 25 -6.864 8.507 17.895 1.00 12.51 H new ATOM 0 HA ILE A 25 -6.005 7.492 15.423 1.00 72.00 H new ATOM 0 HB ILE A 25 -8.699 7.612 16.836 1.00 53.24 H new ATOM 0 HG12 ILE A 25 -6.930 6.139 17.774 1.00 5.33 H new ATOM 0 HG13 ILE A 25 -8.346 5.251 17.248 1.00 5.33 H new ATOM 0 HG21 ILE A 25 -9.598 6.017 15.173 1.00 45.11 H new ATOM 0 HG22 ILE A 25 -9.197 7.589 14.441 1.00 45.11 H new ATOM 0 HG23 ILE A 25 -8.113 6.197 14.209 1.00 45.11 H new ATOM 0 HD11 ILE A 25 -6.290 4.085 16.605 1.00 13.55 H new ATOM 0 HD12 ILE A 25 -7.185 4.612 15.160 1.00 13.55 H new ATOM 0 HD13 ILE A 25 -5.748 5.514 15.695 1.00 13.55 H new ATOM 387 N ARG A 26 -6.708 9.023 13.610 1.00 33.24 N ATOM 388 CA ARG A 26 -7.189 9.779 12.449 1.00 31.33 C ATOM 389 C ARG A 26 -7.900 8.845 11.459 1.00 72.41 C ATOM 390 O ARG A 26 -8.966 9.168 10.929 1.00 75.34 O ATOM 391 CB ARG A 26 -6.018 10.472 11.741 1.00 53.44 C ATOM 392 CG ARG A 26 -5.327 11.541 12.576 1.00 54.31 C ATOM 393 CD ARG A 26 -4.075 12.067 11.883 1.00 4.14 C ATOM 394 NE ARG A 26 -4.345 12.548 10.530 1.00 61.05 N ATOM 395 CZ ARG A 26 -3.515 13.276 9.830 1.00 10.43 C ATOM 396 NH1 ARG A 26 -2.408 13.704 10.352 1.00 1.44 N1+ ATOM 397 NH2 ARG A 26 -3.813 13.598 8.615 1.00 62.54 N ATOM 0 H ARG A 26 -5.873 8.466 13.428 1.00 33.24 H new ATOM 0 HA ARG A 26 -7.893 10.532 12.802 1.00 31.33 H new ATOM 0 HB2 ARG A 26 -5.284 9.719 11.456 1.00 53.44 H new ATOM 0 HB3 ARG A 26 -6.383 10.926 10.820 1.00 53.44 H new ATOM 0 HG2 ARG A 26 -6.017 12.365 12.758 1.00 54.31 H new ATOM 0 HG3 ARG A 26 -5.060 11.128 13.549 1.00 54.31 H new ATOM 0 HD2 ARG A 26 -3.649 12.877 12.475 1.00 4.14 H new ATOM 0 HD3 ARG A 26 -3.327 11.275 11.841 1.00 4.14 H new ATOM 0 HE ARG A 26 -5.238 12.300 10.104 1.00 61.05 H new ATOM 0 HH11 ARG A 26 -2.177 13.473 11.318 1.00 1.44 H new ATOM 0 HH12 ARG A 26 -1.768 14.271 9.796 1.00 1.44 H new ATOM 0 HH21 ARG A 26 -4.693 13.284 8.205 1.00 62.54 H new ATOM 0 HH22 ARG A 26 -3.168 14.166 8.065 1.00 62.54 H new ATOM 411 N ASN A 27 -7.307 7.674 11.232 1.00 24.11 N ATOM 412 CA ASN A 27 -7.843 6.704 10.273 1.00 71.43 C ATOM 413 C ASN A 27 -7.949 5.300 10.892 1.00 72.14 C ATOM 414 O ASN A 27 -6.950 4.590 11.011 1.00 74.31 O ATOM 415 CB ASN A 27 -6.941 6.661 9.038 1.00 64.24 C ATOM 416 CG ASN A 27 -7.603 5.985 7.856 1.00 23.41 C ATOM 417 OD1 ASN A 27 -8.470 5.140 8.018 1.00 32.41 O ATOM 418 ND2 ASN A 27 -7.181 6.335 6.659 1.00 43.22 N ATOM 0 H ASN A 27 -6.453 7.372 11.700 1.00 24.11 H new ATOM 0 HA ASN A 27 -8.847 7.020 9.990 1.00 71.43 H new ATOM 0 HB2 ASN A 27 -6.662 7.678 8.761 1.00 64.24 H new ATOM 0 HB3 ASN A 27 -6.019 6.134 9.284 1.00 64.24 H new ATOM 0 HD21 ASN A 27 -7.580 5.896 5.829 1.00 43.22 H new ATOM 0 HD22 ASN A 27 -6.455 7.045 6.562 1.00 43.22 H new ATOM 425 N MET A 28 -9.160 4.904 11.278 1.00 73.31 N ATOM 426 CA MET A 28 -9.386 3.594 11.900 1.00 4.21 C ATOM 427 C MET A 28 -9.053 2.438 10.939 1.00 42.21 C ATOM 428 O MET A 28 -8.378 1.484 11.322 1.00 71.32 O ATOM 429 CB MET A 28 -10.837 3.461 12.388 1.00 54.13 C ATOM 430 CG MET A 28 -11.091 2.195 13.204 1.00 13.33 C ATOM 431 SD MET A 28 -12.821 1.989 13.674 1.00 15.11 S ATOM 432 CE MET A 28 -13.598 1.798 12.071 1.00 50.32 C ATOM 0 H MET A 28 -10.002 5.469 11.172 1.00 73.31 H new ATOM 0 HA MET A 28 -8.714 3.529 12.755 1.00 4.21 H new ATOM 0 HB2 MET A 28 -11.090 4.331 12.994 1.00 54.13 H new ATOM 0 HB3 MET A 28 -11.504 3.468 11.526 1.00 54.13 H new ATOM 0 HG2 MET A 28 -10.772 1.328 12.626 1.00 13.33 H new ATOM 0 HG3 MET A 28 -10.477 2.221 14.104 1.00 13.33 H new ATOM 0 HE1 MET A 28 -14.577 1.336 12.194 1.00 50.32 H new ATOM 0 HE2 MET A 28 -13.715 2.776 11.604 1.00 50.32 H new ATOM 0 HE3 MET A 28 -12.975 1.166 11.438 1.00 50.32 H new ATOM 442 N VAL A 29 -9.528 2.521 9.693 1.00 51.32 N ATOM 443 CA VAL A 29 -9.302 1.442 8.719 1.00 31.20 C ATOM 444 C VAL A 29 -7.808 1.293 8.376 1.00 33.51 C ATOM 445 O VAL A 29 -7.295 0.175 8.280 1.00 75.43 O ATOM 446 CB VAL A 29 -10.140 1.631 7.422 1.00 71.23 C ATOM 447 CG1 VAL A 29 -9.762 2.912 6.683 1.00 22.15 C ATOM 448 CG2 VAL A 29 -10.002 0.417 6.504 1.00 22.54 C ATOM 0 H VAL A 29 -10.065 3.311 9.335 1.00 51.32 H new ATOM 0 HA VAL A 29 -9.639 0.522 9.197 1.00 31.20 H new ATOM 0 HB VAL A 29 -11.184 1.722 7.721 1.00 71.23 H new ATOM 0 HG11 VAL A 29 -10.370 3.006 5.783 1.00 22.15 H new ATOM 0 HG12 VAL A 29 -9.937 3.771 7.331 1.00 22.15 H new ATOM 0 HG13 VAL A 29 -8.708 2.875 6.406 1.00 22.15 H new ATOM 0 HG21 VAL A 29 -10.597 0.572 5.604 1.00 22.54 H new ATOM 0 HG22 VAL A 29 -8.955 0.286 6.229 1.00 22.54 H new ATOM 0 HG23 VAL A 29 -10.355 -0.474 7.023 1.00 22.54 H new ATOM 458 N ALA A 30 -7.103 2.415 8.212 1.00 10.03 N ATOM 459 CA ALA A 30 -5.653 2.379 7.978 1.00 14.14 C ATOM 460 C ALA A 30 -4.923 1.736 9.166 1.00 13.21 C ATOM 461 O ALA A 30 -3.938 1.011 8.994 1.00 74.21 O ATOM 462 CB ALA A 30 -5.110 3.778 7.715 1.00 51.10 C ATOM 0 H ALA A 30 -7.505 3.352 8.236 1.00 10.03 H new ATOM 0 HA ALA A 30 -5.472 1.769 7.093 1.00 14.14 H new ATOM 0 HB1 ALA A 30 -4.035 3.725 7.545 1.00 51.10 H new ATOM 0 HB2 ALA A 30 -5.597 4.198 6.834 1.00 51.10 H new ATOM 0 HB3 ALA A 30 -5.310 4.414 8.577 1.00 51.10 H new ATOM 468 N VAL A 31 -5.411 2.022 10.371 1.00 33.10 N ATOM 469 CA VAL A 31 -4.926 1.365 11.584 1.00 4.20 C ATOM 470 C VAL A 31 -5.197 -0.150 11.533 1.00 71.24 C ATOM 471 O VAL A 31 -4.311 -0.958 11.802 1.00 53.15 O ATOM 472 CB VAL A 31 -5.578 1.997 12.845 1.00 5.12 C ATOM 473 CG1 VAL A 31 -5.455 1.095 14.064 1.00 44.44 C ATOM 474 CG2 VAL A 31 -4.953 3.355 13.143 1.00 12.25 C ATOM 0 H VAL A 31 -6.147 2.709 10.534 1.00 33.10 H new ATOM 0 HA VAL A 31 -3.848 1.514 11.643 1.00 4.20 H new ATOM 0 HB VAL A 31 -6.639 2.124 12.629 1.00 5.12 H new ATOM 0 HG11 VAL A 31 -5.924 1.577 14.922 1.00 44.44 H new ATOM 0 HG12 VAL A 31 -5.951 0.145 13.865 1.00 44.44 H new ATOM 0 HG13 VAL A 31 -4.402 0.916 14.280 1.00 44.44 H new ATOM 0 HG21 VAL A 31 -5.421 3.784 14.029 1.00 12.25 H new ATOM 0 HG22 VAL A 31 -3.884 3.233 13.320 1.00 12.25 H new ATOM 0 HG23 VAL A 31 -5.106 4.020 12.293 1.00 12.25 H new ATOM 484 N LEU A 32 -6.410 -0.531 11.141 1.00 73.43 N ATOM 485 CA LEU A 32 -6.771 -1.951 11.025 1.00 52.33 C ATOM 486 C LEU A 32 -5.798 -2.708 10.105 1.00 43.34 C ATOM 487 O LEU A 32 -5.534 -3.895 10.307 1.00 33.53 O ATOM 488 CB LEU A 32 -8.207 -2.102 10.505 1.00 62.25 C ATOM 489 CG LEU A 32 -9.302 -1.549 11.431 1.00 35.13 C ATOM 490 CD1 LEU A 32 -10.680 -1.714 10.797 1.00 71.54 C ATOM 491 CD2 LEU A 32 -9.246 -2.231 12.796 1.00 32.13 C ATOM 0 H LEU A 32 -7.160 0.116 10.898 1.00 73.43 H new ATOM 0 HA LEU A 32 -6.704 -2.387 12.022 1.00 52.33 H new ATOM 0 HB2 LEU A 32 -8.282 -1.599 9.541 1.00 62.25 H new ATOM 0 HB3 LEU A 32 -8.403 -3.160 10.329 1.00 62.25 H new ATOM 0 HG LEU A 32 -9.123 -0.484 11.575 1.00 35.13 H new ATOM 0 HD11 LEU A 32 -11.440 -1.316 11.469 1.00 71.54 H new ATOM 0 HD12 LEU A 32 -10.713 -1.173 9.851 1.00 71.54 H new ATOM 0 HD13 LEU A 32 -10.873 -2.771 10.616 1.00 71.54 H new ATOM 0 HD21 LEU A 32 -10.029 -1.826 13.437 1.00 32.13 H new ATOM 0 HD22 LEU A 32 -9.396 -3.304 12.673 1.00 32.13 H new ATOM 0 HD23 LEU A 32 -8.273 -2.051 13.253 1.00 32.13 H new ATOM 503 N GLU A 33 -5.270 -2.016 9.094 1.00 41.03 N ATOM 504 CA GLU A 33 -4.284 -2.606 8.177 1.00 2.53 C ATOM 505 C GLU A 33 -2.970 -2.949 8.899 1.00 64.42 C ATOM 506 O GLU A 33 -2.441 -4.051 8.745 1.00 2.11 O ATOM 507 CB GLU A 33 -3.998 -1.656 7.004 1.00 43.55 C ATOM 508 CG GLU A 33 -5.234 -1.297 6.188 1.00 55.40 C ATOM 509 CD GLU A 33 -4.907 -0.466 4.958 1.00 55.33 C ATOM 510 OE1 GLU A 33 -4.930 -1.017 3.836 1.00 31.40 O ATOM 511 OE2 GLU A 33 -4.620 0.739 5.104 1.00 31.34 O1- ATOM 0 H GLU A 33 -5.507 -1.046 8.887 1.00 41.03 H new ATOM 0 HA GLU A 33 -4.714 -3.532 7.794 1.00 2.53 H new ATOM 0 HB2 GLU A 33 -3.551 -0.740 7.391 1.00 43.55 H new ATOM 0 HB3 GLU A 33 -3.261 -2.117 6.346 1.00 43.55 H new ATOM 0 HG2 GLU A 33 -5.738 -2.213 5.879 1.00 55.40 H new ATOM 0 HG3 GLU A 33 -5.932 -0.746 6.818 1.00 55.40 H new ATOM 518 N VAL A 34 -2.446 -2.011 9.698 1.00 74.14 N ATOM 519 CA VAL A 34 -1.183 -2.242 10.414 1.00 71.12 C ATOM 520 C VAL A 34 -1.358 -3.286 11.536 1.00 14.30 C ATOM 521 O VAL A 34 -0.448 -4.068 11.814 1.00 64.31 O ATOM 522 CB VAL A 34 -0.571 -0.927 10.977 1.00 51.23 C ATOM 523 CG1 VAL A 34 -0.395 0.102 9.859 1.00 34.22 C ATOM 524 CG2 VAL A 34 -1.412 -0.347 12.112 1.00 42.11 C ATOM 0 H VAL A 34 -2.869 -1.098 9.864 1.00 74.14 H new ATOM 0 HA VAL A 34 -0.479 -2.638 9.682 1.00 71.12 H new ATOM 0 HB VAL A 34 0.408 -1.172 11.390 1.00 51.23 H new ATOM 0 HG11 VAL A 34 0.034 1.016 10.270 1.00 34.22 H new ATOM 0 HG12 VAL A 34 0.271 -0.300 9.096 1.00 34.22 H new ATOM 0 HG13 VAL A 34 -1.365 0.325 9.414 1.00 34.22 H new ATOM 0 HG21 VAL A 34 -0.949 0.570 12.476 1.00 42.11 H new ATOM 0 HG22 VAL A 34 -2.415 -0.127 11.746 1.00 42.11 H new ATOM 0 HG23 VAL A 34 -1.473 -1.070 12.925 1.00 42.11 H new ATOM 534 N ILE A 35 -2.539 -3.315 12.161 1.00 62.33 N ATOM 535 CA ILE A 35 -2.882 -4.383 13.114 1.00 64.22 C ATOM 536 C ILE A 35 -2.971 -5.739 12.390 1.00 15.14 C ATOM 537 O ILE A 35 -2.470 -6.753 12.877 1.00 63.02 O ATOM 538 CB ILE A 35 -4.222 -4.090 13.863 1.00 50.14 C ATOM 539 CG1 ILE A 35 -4.013 -3.074 15.006 1.00 60.42 C ATOM 540 CG2 ILE A 35 -4.846 -5.376 14.411 1.00 15.32 C ATOM 541 CD1 ILE A 35 -3.551 -1.710 14.560 1.00 32.03 C ATOM 0 H ILE A 35 -3.271 -2.618 12.028 1.00 62.33 H new ATOM 0 HA ILE A 35 -2.087 -4.421 13.858 1.00 64.22 H new ATOM 0 HB ILE A 35 -4.909 -3.657 13.136 1.00 50.14 H new ATOM 0 HG12 ILE A 35 -4.950 -2.965 15.552 1.00 60.42 H new ATOM 0 HG13 ILE A 35 -3.282 -3.480 15.705 1.00 60.42 H new ATOM 0 HG21 ILE A 35 -5.777 -5.138 14.926 1.00 15.32 H new ATOM 0 HG22 ILE A 35 -5.052 -6.060 13.588 1.00 15.32 H new ATOM 0 HG23 ILE A 35 -4.155 -5.847 15.110 1.00 15.32 H new ATOM 0 HD11 ILE A 35 -3.431 -1.064 15.430 1.00 32.03 H new ATOM 0 HD12 ILE A 35 -2.597 -1.801 14.041 1.00 32.03 H new ATOM 0 HD13 ILE A 35 -4.291 -1.278 13.886 1.00 32.03 H new ATOM 553 N SER A 36 -3.600 -5.741 11.211 1.00 74.23 N ATOM 554 CA SER A 36 -3.696 -6.952 10.376 1.00 73.22 C ATOM 555 C SER A 36 -2.303 -7.479 10.012 1.00 2.12 C ATOM 556 O SER A 36 -2.072 -8.691 9.968 1.00 54.04 O ATOM 557 CB SER A 36 -4.493 -6.667 9.095 1.00 5.51 C ATOM 558 OG SER A 36 -4.530 -7.799 8.237 1.00 50.53 O ATOM 0 H SER A 36 -4.052 -4.920 10.809 1.00 74.23 H new ATOM 0 HA SER A 36 -4.218 -7.713 10.956 1.00 73.22 H new ATOM 0 HB2 SER A 36 -5.510 -6.375 9.356 1.00 5.51 H new ATOM 0 HB3 SER A 36 -4.045 -5.825 8.567 1.00 5.51 H new ATOM 0 HG SER A 36 -5.046 -7.583 7.433 1.00 50.53 H new ATOM 564 N SER A 37 -1.379 -6.556 9.750 1.00 35.23 N ATOM 565 CA SER A 37 0.027 -6.907 9.508 1.00 21.43 C ATOM 566 C SER A 37 0.683 -7.460 10.779 1.00 45.23 C ATOM 567 O SER A 37 1.418 -8.446 10.732 1.00 73.31 O ATOM 568 CB SER A 37 0.809 -5.682 9.014 1.00 43.41 C ATOM 569 OG SER A 37 2.171 -5.999 8.765 1.00 52.12 O ATOM 0 H SER A 37 -1.575 -5.556 9.699 1.00 35.23 H new ATOM 0 HA SER A 37 0.050 -7.680 8.740 1.00 21.43 H new ATOM 0 HB2 SER A 37 0.351 -5.300 8.102 1.00 43.41 H new ATOM 0 HB3 SER A 37 0.749 -4.887 9.757 1.00 43.41 H new ATOM 0 HG SER A 37 2.719 -5.705 9.522 1.00 52.12 H new ATOM 575 N LEU A 38 0.404 -6.819 11.916 1.00 32.40 N ATOM 576 CA LEU A 38 0.934 -7.255 13.217 1.00 63.41 C ATOM 577 C LEU A 38 0.537 -8.710 13.527 1.00 74.25 C ATOM 578 O LEU A 38 1.263 -9.433 14.211 1.00 34.15 O ATOM 579 CB LEU A 38 0.429 -6.321 14.328 1.00 24.43 C ATOM 580 CG LEU A 38 1.040 -6.559 15.720 1.00 0.01 C ATOM 581 CD1 LEU A 38 2.549 -6.311 15.698 1.00 41.21 C ATOM 582 CD2 LEU A 38 0.361 -5.678 16.769 1.00 65.13 C ATOM 0 H LEU A 38 -0.189 -5.991 11.965 1.00 32.40 H new ATOM 0 HA LEU A 38 2.022 -7.208 13.171 1.00 63.41 H new ATOM 0 HB2 LEU A 38 0.631 -5.291 14.033 1.00 24.43 H new ATOM 0 HB3 LEU A 38 -0.653 -6.425 14.403 1.00 24.43 H new ATOM 0 HG LEU A 38 0.870 -7.601 15.992 1.00 0.01 H new ATOM 0 HD11 LEU A 38 2.961 -6.485 16.692 1.00 41.21 H new ATOM 0 HD12 LEU A 38 3.019 -6.990 14.987 1.00 41.21 H new ATOM 0 HD13 LEU A 38 2.744 -5.281 15.400 1.00 41.21 H new ATOM 0 HD21 LEU A 38 0.809 -5.863 17.745 1.00 65.13 H new ATOM 0 HD22 LEU A 38 0.492 -4.629 16.503 1.00 65.13 H new ATOM 0 HD23 LEU A 38 -0.703 -5.913 16.808 1.00 65.13 H new ATOM 594 N GLU A 39 -0.616 -9.127 13.007 1.00 24.24 N ATOM 595 CA GLU A 39 -1.079 -10.516 13.129 1.00 4.31 C ATOM 596 C GLU A 39 -0.073 -11.503 12.510 1.00 5.03 C ATOM 597 O GLU A 39 0.126 -12.605 13.025 1.00 64.02 O ATOM 598 CB GLU A 39 -2.446 -10.671 12.439 1.00 52.12 C ATOM 599 CG GLU A 39 -3.606 -9.986 13.165 1.00 5.13 C ATOM 600 CD GLU A 39 -4.264 -10.884 14.205 1.00 70.51 C ATOM 601 OE1 GLU A 39 -3.829 -10.884 15.373 1.00 64.33 O ATOM 602 OE2 GLU A 39 -5.221 -11.607 13.845 1.00 72.41 O1- ATOM 0 H GLU A 39 -1.254 -8.520 12.492 1.00 24.24 H new ATOM 0 HA GLU A 39 -1.171 -10.747 14.190 1.00 4.31 H new ATOM 0 HB2 GLU A 39 -2.377 -10.267 11.429 1.00 52.12 H new ATOM 0 HB3 GLU A 39 -2.671 -11.733 12.342 1.00 52.12 H new ATOM 0 HG2 GLU A 39 -3.241 -9.082 13.651 1.00 5.13 H new ATOM 0 HG3 GLU A 39 -4.353 -9.676 12.435 1.00 5.13 H new ATOM 609 N LYS A 40 0.549 -11.110 11.396 1.00 11.32 N ATOM 610 CA LYS A 40 1.535 -11.966 10.718 1.00 63.33 C ATOM 611 C LYS A 40 2.978 -11.601 11.106 1.00 43.24 C ATOM 612 O LYS A 40 3.891 -12.416 10.963 1.00 60.33 O ATOM 613 CB LYS A 40 1.387 -11.853 9.194 1.00 75.51 C ATOM 614 CG LYS A 40 0.042 -12.325 8.654 1.00 2.31 C ATOM 615 CD LYS A 40 -0.004 -12.237 7.128 1.00 20.24 C ATOM 616 CE LYS A 40 -1.320 -12.755 6.558 1.00 31.52 C ATOM 617 NZ LYS A 40 -1.339 -12.693 5.071 1.00 71.41 N1+ ATOM 0 H LYS A 40 0.391 -10.210 10.943 1.00 11.32 H new ATOM 0 HA LYS A 40 1.338 -12.989 11.038 1.00 63.33 H new ATOM 0 HB2 LYS A 40 1.537 -10.813 8.903 1.00 75.51 H new ATOM 0 HB3 LYS A 40 2.179 -12.434 8.720 1.00 75.51 H new ATOM 0 HG2 LYS A 40 -0.138 -13.354 8.967 1.00 2.31 H new ATOM 0 HG3 LYS A 40 -0.757 -11.718 9.080 1.00 2.31 H new ATOM 0 HD2 LYS A 40 0.139 -11.201 6.822 1.00 20.24 H new ATOM 0 HD3 LYS A 40 0.822 -12.811 6.708 1.00 20.24 H new ATOM 0 HE2 LYS A 40 -1.476 -13.784 6.881 1.00 31.52 H new ATOM 0 HE3 LYS A 40 -2.146 -12.167 6.957 1.00 31.52 H new ATOM 0 HZ1 LYS A 40 -2.249 -13.053 4.720 1.00 71.41 H new ATOM 0 HZ2 LYS A 40 -1.215 -11.707 4.763 1.00 71.41 H new ATOM 0 HZ3 LYS A 40 -0.566 -13.275 4.689 1.00 71.41 H new ATOM 631 N TYR A 41 3.180 -10.380 11.599 1.00 10.34 N ATOM 632 CA TYR A 41 4.524 -9.886 11.927 1.00 64.45 C ATOM 633 C TYR A 41 4.558 -9.260 13.331 1.00 52.13 C ATOM 634 O TYR A 41 4.279 -8.071 13.497 1.00 41.25 O ATOM 635 CB TYR A 41 4.983 -8.855 10.881 1.00 2.31 C ATOM 636 CG TYR A 41 4.860 -9.344 9.445 1.00 63.20 C ATOM 637 CD1 TYR A 41 3.741 -9.033 8.678 1.00 23.43 C ATOM 638 CD2 TYR A 41 5.857 -10.121 8.861 1.00 2.21 C ATOM 639 CE1 TYR A 41 3.617 -9.481 7.376 1.00 72.22 C ATOM 640 CE2 TYR A 41 5.739 -10.570 7.558 1.00 54.41 C ATOM 641 CZ TYR A 41 4.619 -10.246 6.819 1.00 71.52 C ATOM 642 OH TYR A 41 4.498 -10.695 5.521 1.00 52.24 O ATOM 0 H TYR A 41 2.432 -9.711 11.782 1.00 10.34 H new ATOM 0 HA TYR A 41 5.206 -10.736 11.915 1.00 64.45 H new ATOM 0 HB2 TYR A 41 4.394 -7.945 10.997 1.00 2.31 H new ATOM 0 HB3 TYR A 41 6.022 -8.589 11.077 1.00 2.31 H new ATOM 0 HD1 TYR A 41 2.955 -8.430 9.108 1.00 23.43 H new ATOM 0 HD2 TYR A 41 6.736 -10.377 9.434 1.00 2.21 H new ATOM 0 HE1 TYR A 41 2.739 -9.233 6.798 1.00 72.22 H new ATOM 0 HE2 TYR A 41 6.521 -11.172 7.120 1.00 54.41 H new ATOM 0 HH TYR A 41 5.290 -11.219 5.281 1.00 52.24 H new ATOM 652 N PRO A 42 4.881 -10.058 14.365 1.00 62.51 N ATOM 653 CA PRO A 42 4.966 -9.560 15.743 1.00 34.33 C ATOM 654 C PRO A 42 6.262 -8.774 16.012 1.00 2.02 C ATOM 655 O PRO A 42 7.359 -9.239 15.697 1.00 23.50 O ATOM 656 CB PRO A 42 4.925 -10.846 16.576 1.00 64.42 C ATOM 657 CG PRO A 42 5.536 -11.886 15.694 1.00 22.40 C ATOM 658 CD PRO A 42 5.174 -11.505 14.277 1.00 33.01 C ATOM 0 HA PRO A 42 4.167 -8.856 15.976 1.00 34.33 H new ATOM 0 HB2 PRO A 42 5.485 -10.735 17.505 1.00 64.42 H new ATOM 0 HB3 PRO A 42 3.903 -11.109 16.850 1.00 64.42 H new ATOM 0 HG2 PRO A 42 6.618 -11.919 15.824 1.00 22.40 H new ATOM 0 HG3 PRO A 42 5.155 -12.877 15.940 1.00 22.40 H new ATOM 0 HD2 PRO A 42 5.993 -11.706 13.587 1.00 33.01 H new ATOM 0 HD3 PRO A 42 4.311 -12.067 13.920 1.00 33.01 H new ATOM 666 N ILE A 43 6.126 -7.592 16.618 1.00 51.31 N ATOM 667 CA ILE A 43 7.276 -6.726 16.918 1.00 4.52 C ATOM 668 C ILE A 43 8.372 -7.475 17.698 1.00 61.04 C ATOM 669 O ILE A 43 8.085 -8.198 18.657 1.00 32.42 O ATOM 670 CB ILE A 43 6.833 -5.479 17.727 1.00 3.30 C ATOM 671 CG1 ILE A 43 5.812 -4.655 16.920 1.00 72.45 C ATOM 672 CG2 ILE A 43 8.037 -4.619 18.113 1.00 53.14 C ATOM 673 CD1 ILE A 43 5.279 -3.442 17.655 1.00 65.32 C ATOM 0 H ILE A 43 5.228 -7.209 16.913 1.00 51.31 H new ATOM 0 HA ILE A 43 7.690 -6.411 15.960 1.00 4.52 H new ATOM 0 HB ILE A 43 6.357 -5.819 18.647 1.00 3.30 H new ATOM 0 HG12 ILE A 43 6.278 -4.328 15.991 1.00 72.45 H new ATOM 0 HG13 ILE A 43 4.975 -5.298 16.648 1.00 72.45 H new ATOM 0 HG21 ILE A 43 7.698 -3.752 18.679 1.00 53.14 H new ATOM 0 HG22 ILE A 43 8.722 -5.206 18.724 1.00 53.14 H new ATOM 0 HG23 ILE A 43 8.550 -4.286 17.211 1.00 53.14 H new ATOM 0 HD11 ILE A 43 4.567 -2.916 17.020 1.00 65.32 H new ATOM 0 HD12 ILE A 43 4.782 -3.761 18.571 1.00 65.32 H new ATOM 0 HD13 ILE A 43 6.105 -2.775 17.904 1.00 65.32 H new ATOM 685 N THR A 44 9.627 -7.307 17.278 1.00 11.53 N ATOM 686 CA THR A 44 10.755 -7.952 17.957 1.00 62.33 C ATOM 687 C THR A 44 11.020 -7.291 19.319 1.00 43.35 C ATOM 688 O THR A 44 10.713 -6.115 19.525 1.00 54.23 O ATOM 689 CB THR A 44 12.044 -7.881 17.097 1.00 51.15 C ATOM 690 OG1 THR A 44 11.753 -8.253 15.743 1.00 52.22 O ATOM 691 CG2 THR A 44 13.129 -8.803 17.646 1.00 23.41 C ATOM 0 H THR A 44 9.888 -6.734 16.476 1.00 11.53 H new ATOM 0 HA THR A 44 10.488 -8.998 18.107 1.00 62.33 H new ATOM 0 HB THR A 44 12.409 -6.854 17.131 1.00 51.15 H new ATOM 0 HG1 THR A 44 12.572 -8.204 15.207 1.00 52.22 H new ATOM 0 HG21 THR A 44 14.019 -8.730 17.021 1.00 23.41 H new ATOM 0 HG22 THR A 44 13.376 -8.507 18.666 1.00 23.41 H new ATOM 0 HG23 THR A 44 12.768 -9.831 17.644 1.00 23.41 H new ATOM 699 N LYS A 45 11.634 -8.039 20.226 1.00 54.22 N ATOM 700 CA LYS A 45 11.792 -7.603 21.616 1.00 22.34 C ATOM 701 C LYS A 45 12.865 -6.511 21.758 1.00 23.20 C ATOM 702 O LYS A 45 12.654 -5.498 22.427 1.00 31.40 O ATOM 703 CB LYS A 45 12.119 -8.812 22.510 1.00 23.45 C ATOM 704 CG LYS A 45 11.046 -9.911 22.502 1.00 74.40 C ATOM 705 CD LYS A 45 11.045 -10.719 21.200 1.00 63.45 C ATOM 706 CE LYS A 45 9.991 -11.823 21.208 1.00 20.52 C ATOM 707 NZ LYS A 45 10.037 -12.640 19.963 1.00 32.20 N1+ ATOM 0 H LYS A 45 12.034 -8.956 20.027 1.00 54.22 H new ATOM 0 HA LYS A 45 10.848 -7.164 21.940 1.00 22.34 H new ATOM 0 HB2 LYS A 45 13.066 -9.243 22.186 1.00 23.45 H new ATOM 0 HB3 LYS A 45 12.260 -8.465 23.534 1.00 23.45 H new ATOM 0 HG2 LYS A 45 11.213 -10.584 23.343 1.00 74.40 H new ATOM 0 HG3 LYS A 45 10.065 -9.458 22.646 1.00 74.40 H new ATOM 0 HD2 LYS A 45 10.862 -10.050 20.359 1.00 63.45 H new ATOM 0 HD3 LYS A 45 12.030 -11.160 21.047 1.00 63.45 H new ATOM 0 HE2 LYS A 45 10.147 -12.468 22.072 1.00 20.52 H new ATOM 0 HE3 LYS A 45 9.001 -11.380 21.316 1.00 20.52 H new ATOM 0 HZ1 LYS A 45 9.307 -13.379 20.006 1.00 32.20 H new ATOM 0 HZ2 LYS A 45 9.863 -12.029 19.140 1.00 32.20 H new ATOM 0 HZ3 LYS A 45 10.973 -13.083 19.873 1.00 32.20 H new ATOM 721 N GLU A 46 14.008 -6.718 21.112 1.00 20.33 N ATOM 722 CA GLU A 46 15.100 -5.732 21.107 1.00 53.33 C ATOM 723 C GLU A 46 14.643 -4.386 20.513 1.00 35.14 C ATOM 724 O GLU A 46 14.931 -3.312 21.054 1.00 24.04 O ATOM 725 CB GLU A 46 16.282 -6.286 20.297 1.00 41.14 C ATOM 726 CG GLU A 46 15.908 -6.658 18.864 1.00 14.53 C ATOM 727 CD GLU A 46 17.030 -7.345 18.110 1.00 15.41 C ATOM 728 OE1 GLU A 46 17.167 -8.578 18.240 1.00 54.41 O ATOM 729 OE2 GLU A 46 17.768 -6.654 17.375 1.00 70.41 O1- ATOM 0 H GLU A 46 14.209 -7.564 20.579 1.00 20.33 H new ATOM 0 HA GLU A 46 15.405 -5.554 22.138 1.00 53.33 H new ATOM 0 HB2 GLU A 46 17.080 -5.543 20.276 1.00 41.14 H new ATOM 0 HB3 GLU A 46 16.679 -7.166 20.802 1.00 41.14 H new ATOM 0 HG2 GLU A 46 15.037 -7.313 18.882 1.00 14.53 H new ATOM 0 HG3 GLU A 46 15.617 -5.756 18.326 1.00 14.53 H new ATOM 736 N ALA A 47 13.921 -4.466 19.400 1.00 43.24 N ATOM 737 CA ALA A 47 13.425 -3.287 18.689 1.00 23.22 C ATOM 738 C ALA A 47 12.329 -2.554 19.473 1.00 34.44 C ATOM 739 O ALA A 47 12.197 -1.337 19.371 1.00 2.23 O ATOM 740 CB ALA A 47 12.916 -3.686 17.315 1.00 53.40 C ATOM 0 H ALA A 47 13.662 -5.350 18.963 1.00 43.24 H new ATOM 0 HA ALA A 47 14.259 -2.594 18.581 1.00 23.22 H new ATOM 0 HB1 ALA A 47 12.549 -2.803 16.792 1.00 53.40 H new ATOM 0 HB2 ALA A 47 13.728 -4.135 16.743 1.00 53.40 H new ATOM 0 HB3 ALA A 47 12.106 -4.407 17.422 1.00 53.40 H new ATOM 746 N LEU A 48 11.540 -3.302 20.244 1.00 23.32 N ATOM 747 CA LEU A 48 10.425 -2.730 21.015 1.00 54.33 C ATOM 748 C LEU A 48 10.918 -1.620 21.962 1.00 4.44 C ATOM 749 O LEU A 48 10.307 -0.550 22.062 1.00 70.40 O ATOM 750 CB LEU A 48 9.744 -3.845 21.829 1.00 44.55 C ATOM 751 CG LEU A 48 8.463 -3.442 22.581 1.00 11.31 C ATOM 752 CD1 LEU A 48 7.330 -3.151 21.602 1.00 14.10 C ATOM 753 CD2 LEU A 48 8.055 -4.526 23.576 1.00 33.54 C ATOM 0 H LEU A 48 11.649 -4.310 20.355 1.00 23.32 H new ATOM 0 HA LEU A 48 9.711 -2.289 20.319 1.00 54.33 H new ATOM 0 HB2 LEU A 48 9.503 -4.666 21.153 1.00 44.55 H new ATOM 0 HB3 LEU A 48 10.462 -4.229 22.554 1.00 44.55 H new ATOM 0 HG LEU A 48 8.671 -2.530 23.140 1.00 11.31 H new ATOM 0 HD11 LEU A 48 6.435 -2.868 22.155 1.00 14.10 H new ATOM 0 HD12 LEU A 48 7.621 -2.335 20.941 1.00 14.10 H new ATOM 0 HD13 LEU A 48 7.124 -4.042 21.009 1.00 14.10 H new ATOM 0 HD21 LEU A 48 7.147 -4.220 24.096 1.00 33.54 H new ATOM 0 HD22 LEU A 48 7.871 -5.459 23.043 1.00 33.54 H new ATOM 0 HD23 LEU A 48 8.856 -4.675 24.301 1.00 33.54 H new ATOM 765 N GLU A 49 12.029 -1.886 22.648 1.00 4.44 N ATOM 766 CA GLU A 49 12.686 -0.886 23.502 1.00 72.41 C ATOM 767 C GLU A 49 13.361 0.219 22.666 1.00 12.20 C ATOM 768 O GLU A 49 13.207 1.411 22.939 1.00 5.20 O ATOM 769 CB GLU A 49 13.731 -1.583 24.391 1.00 51.23 C ATOM 770 CG GLU A 49 14.608 -0.635 25.209 1.00 21.41 C ATOM 771 CD GLU A 49 13.837 0.152 26.260 1.00 14.21 C ATOM 772 OE1 GLU A 49 13.552 -0.410 27.340 1.00 42.04 O ATOM 773 OE2 GLU A 49 13.542 1.343 26.023 1.00 24.25 O1- ATOM 0 H GLU A 49 12.499 -2.791 22.631 1.00 4.44 H new ATOM 0 HA GLU A 49 11.925 -0.413 24.122 1.00 72.41 H new ATOM 0 HB2 GLU A 49 13.215 -2.259 25.073 1.00 51.23 H new ATOM 0 HB3 GLU A 49 14.374 -2.197 23.760 1.00 51.23 H new ATOM 0 HG2 GLU A 49 15.392 -1.211 25.701 1.00 21.41 H new ATOM 0 HG3 GLU A 49 15.102 0.064 24.534 1.00 21.41 H new ATOM 780 N GLU A 50 14.096 -0.194 21.636 1.00 51.43 N ATOM 781 CA GLU A 50 14.895 0.728 20.814 1.00 2.55 C ATOM 782 C GLU A 50 14.031 1.788 20.102 1.00 2.42 C ATOM 783 O GLU A 50 14.292 2.988 20.200 1.00 45.04 O ATOM 784 CB GLU A 50 15.698 -0.069 19.775 1.00 52.13 C ATOM 785 CG GLU A 50 16.689 0.771 18.973 1.00 4.21 C ATOM 786 CD GLU A 50 17.805 1.349 19.833 1.00 12.40 C ATOM 787 OE1 GLU A 50 18.812 0.646 20.060 1.00 43.20 O ATOM 788 OE2 GLU A 50 17.683 2.505 20.285 1.00 32.04 O1- ATOM 0 H GLU A 50 14.158 -1.169 21.344 1.00 51.43 H new ATOM 0 HA GLU A 50 15.569 1.259 21.486 1.00 2.55 H new ATOM 0 HB2 GLU A 50 16.242 -0.864 20.285 1.00 52.13 H new ATOM 0 HB3 GLU A 50 15.004 -0.549 19.085 1.00 52.13 H new ATOM 0 HG2 GLU A 50 17.125 0.157 18.185 1.00 4.21 H new ATOM 0 HG3 GLU A 50 16.155 1.585 18.483 1.00 4.21 H new ATOM 795 N THR A 51 13.002 1.338 19.391 1.00 21.32 N ATOM 796 CA THR A 51 12.141 2.234 18.597 1.00 44.33 C ATOM 797 C THR A 51 11.021 2.869 19.441 1.00 61.54 C ATOM 798 O THR A 51 10.217 3.652 18.925 1.00 12.24 O ATOM 799 CB THR A 51 11.494 1.478 17.412 1.00 70.22 C ATOM 800 OG1 THR A 51 10.678 0.407 17.906 1.00 73.11 O ATOM 801 CG2 THR A 51 12.553 0.917 16.465 1.00 54.11 C ATOM 0 H THR A 51 12.736 0.354 19.343 1.00 21.32 H new ATOM 0 HA THR A 51 12.792 3.026 18.225 1.00 44.33 H new ATOM 0 HB THR A 51 10.879 2.187 16.857 1.00 70.22 H new ATOM 0 HG1 THR A 51 11.249 -0.283 18.302 1.00 73.11 H new ATOM 0 HG21 THR A 51 12.065 0.392 15.644 1.00 54.11 H new ATOM 0 HG22 THR A 51 13.155 1.734 16.067 1.00 54.11 H new ATOM 0 HG23 THR A 51 13.196 0.224 17.008 1.00 54.11 H new ATOM 809 N ARG A 52 10.979 2.524 20.734 1.00 44.13 N ATOM 810 CA ARG A 52 9.971 3.045 21.681 1.00 71.00 C ATOM 811 C ARG A 52 8.547 2.553 21.331 1.00 61.21 C ATOM 812 O ARG A 52 7.546 3.167 21.713 1.00 0.23 O ATOM 813 CB ARG A 52 10.015 4.590 21.721 1.00 54.25 C ATOM 814 CG ARG A 52 9.258 5.217 22.899 1.00 4.35 C ATOM 815 CD ARG A 52 9.223 6.743 22.810 1.00 42.25 C ATOM 816 NE ARG A 52 8.590 7.356 23.982 1.00 41.21 N ATOM 817 CZ ARG A 52 8.126 8.580 24.014 1.00 32.11 C ATOM 818 NH1 ARG A 52 8.133 9.321 22.954 1.00 62.20 N1+ ATOM 819 NH2 ARG A 52 7.641 9.061 25.111 1.00 10.24 N ATOM 0 H ARG A 52 11.642 1.875 21.159 1.00 44.13 H new ATOM 0 HA ARG A 52 10.218 2.659 22.670 1.00 71.00 H new ATOM 0 HB2 ARG A 52 11.056 4.910 21.762 1.00 54.25 H new ATOM 0 HB3 ARG A 52 9.599 4.977 20.791 1.00 54.25 H new ATOM 0 HG2 ARG A 52 8.239 4.832 22.921 1.00 4.35 H new ATOM 0 HG3 ARG A 52 9.732 4.919 23.834 1.00 4.35 H new ATOM 0 HD2 ARG A 52 10.240 7.122 22.710 1.00 42.25 H new ATOM 0 HD3 ARG A 52 8.682 7.040 21.911 1.00 42.25 H new ATOM 0 HE ARG A 52 8.506 6.792 24.828 1.00 41.21 H new ATOM 0 HH11 ARG A 52 8.503 8.954 22.077 1.00 62.20 H new ATOM 0 HH12 ARG A 52 7.768 10.273 22.995 1.00 62.20 H new ATOM 0 HH21 ARG A 52 7.619 8.487 25.954 1.00 10.24 H new ATOM 0 HH22 ARG A 52 7.280 10.015 25.134 1.00 10.24 H new ATOM 833 N LEU A 53 8.459 1.406 20.655 1.00 70.52 N ATOM 834 CA LEU A 53 7.158 0.819 20.295 1.00 12.54 C ATOM 835 C LEU A 53 6.426 0.254 21.523 1.00 30.33 C ATOM 836 O LEU A 53 5.239 -0.065 21.459 1.00 32.53 O ATOM 837 CB LEU A 53 7.330 -0.268 19.223 1.00 4.40 C ATOM 838 CG LEU A 53 7.647 0.254 17.811 1.00 14.21 C ATOM 839 CD1 LEU A 53 7.886 -0.904 16.843 1.00 53.24 C ATOM 840 CD2 LEU A 53 6.520 1.157 17.306 1.00 70.50 C ATOM 0 H LEU A 53 9.266 0.864 20.345 1.00 70.52 H new ATOM 0 HA LEU A 53 6.543 1.620 19.886 1.00 12.54 H new ATOM 0 HB2 LEU A 53 8.130 -0.940 19.534 1.00 4.40 H new ATOM 0 HB3 LEU A 53 6.416 -0.860 19.178 1.00 4.40 H new ATOM 0 HG LEU A 53 8.562 0.844 17.864 1.00 14.21 H new ATOM 0 HD11 LEU A 53 8.108 -0.509 15.851 1.00 53.24 H new ATOM 0 HD12 LEU A 53 8.727 -1.502 17.192 1.00 53.24 H new ATOM 0 HD13 LEU A 53 6.993 -1.527 16.794 1.00 53.24 H new ATOM 0 HD21 LEU A 53 6.762 1.517 16.306 1.00 70.50 H new ATOM 0 HD22 LEU A 53 5.588 0.592 17.273 1.00 70.50 H new ATOM 0 HD23 LEU A 53 6.405 2.007 17.979 1.00 70.50 H new ATOM 852 N GLY A 54 7.140 0.132 22.641 1.00 5.12 N ATOM 853 CA GLY A 54 6.502 -0.247 23.898 1.00 11.12 C ATOM 854 C GLY A 54 5.414 0.738 24.319 1.00 42.40 C ATOM 855 O GLY A 54 4.419 0.358 24.933 1.00 52.20 O ATOM 0 H GLY A 54 8.146 0.288 22.702 1.00 5.12 H new ATOM 0 HA2 GLY A 54 6.068 -1.242 23.797 1.00 11.12 H new ATOM 0 HA3 GLY A 54 7.257 -0.307 24.682 1.00 11.12 H new ATOM 859 N LYS A 55 5.611 2.011 23.985 1.00 60.34 N ATOM 860 CA LYS A 55 4.609 3.048 24.251 1.00 35.03 C ATOM 861 C LYS A 55 3.308 2.733 23.484 1.00 41.01 C ATOM 862 O LYS A 55 2.204 2.898 24.007 1.00 22.34 O ATOM 863 CB LYS A 55 5.181 4.427 23.852 1.00 44.12 C ATOM 864 CG LYS A 55 4.474 5.628 24.491 1.00 63.14 C ATOM 865 CD LYS A 55 3.207 6.047 23.747 1.00 2.10 C ATOM 866 CE LYS A 55 3.510 6.597 22.354 1.00 51.45 C ATOM 867 NZ LYS A 55 2.289 7.121 21.684 1.00 54.24 N1+ ATOM 0 H LYS A 55 6.457 2.353 23.528 1.00 60.34 H new ATOM 0 HA LYS A 55 4.370 3.070 25.314 1.00 35.03 H new ATOM 0 HB2 LYS A 55 6.236 4.459 24.123 1.00 44.12 H new ATOM 0 HB3 LYS A 55 5.127 4.527 22.768 1.00 44.12 H new ATOM 0 HG2 LYS A 55 4.218 5.384 25.522 1.00 63.14 H new ATOM 0 HG3 LYS A 55 5.164 6.472 24.525 1.00 63.14 H new ATOM 0 HD2 LYS A 55 2.539 5.190 23.660 1.00 2.10 H new ATOM 0 HD3 LYS A 55 2.680 6.804 24.328 1.00 2.10 H new ATOM 0 HE2 LYS A 55 4.251 7.393 22.432 1.00 51.45 H new ATOM 0 HE3 LYS A 55 3.950 5.810 21.741 1.00 51.45 H new ATOM 0 HZ1 LYS A 55 2.518 7.390 20.706 1.00 54.24 H new ATOM 0 HZ2 LYS A 55 1.554 6.385 21.677 1.00 54.24 H new ATOM 0 HZ3 LYS A 55 1.940 7.954 22.200 1.00 54.24 H new ATOM 881 N LEU A 56 3.467 2.237 22.253 1.00 21.23 N ATOM 882 CA LEU A 56 2.340 1.829 21.395 1.00 25.33 C ATOM 883 C LEU A 56 1.467 0.768 22.090 1.00 43.44 C ATOM 884 O LEU A 56 0.250 0.735 21.901 1.00 74.45 O ATOM 885 CB LEU A 56 2.887 1.311 20.044 1.00 11.34 C ATOM 886 CG LEU A 56 1.851 1.020 18.930 1.00 30.33 C ATOM 887 CD1 LEU A 56 2.516 1.068 17.554 1.00 42.11 C ATOM 888 CD2 LEU A 56 1.182 -0.343 19.127 1.00 52.25 C ATOM 0 H LEU A 56 4.381 2.105 21.819 1.00 21.23 H new ATOM 0 HA LEU A 56 1.702 2.693 21.210 1.00 25.33 H new ATOM 0 HB2 LEU A 56 3.597 2.045 19.663 1.00 11.34 H new ATOM 0 HB3 LEU A 56 3.446 0.395 20.234 1.00 11.34 H new ATOM 0 HG LEU A 56 1.084 1.792 18.990 1.00 30.33 H new ATOM 0 HD11 LEU A 56 1.773 0.861 16.784 1.00 42.11 H new ATOM 0 HD12 LEU A 56 2.943 2.058 17.390 1.00 42.11 H new ATOM 0 HD13 LEU A 56 3.307 0.319 17.506 1.00 42.11 H new ATOM 0 HD21 LEU A 56 0.461 -0.514 18.327 1.00 52.25 H new ATOM 0 HD22 LEU A 56 1.939 -1.127 19.106 1.00 52.25 H new ATOM 0 HD23 LEU A 56 0.668 -0.361 20.088 1.00 52.25 H new ATOM 900 N ILE A 57 2.092 -0.080 22.909 1.00 42.01 N ATOM 901 CA ILE A 57 1.383 -1.161 23.612 1.00 41.34 C ATOM 902 C ILE A 57 0.228 -0.610 24.469 1.00 11.01 C ATOM 903 O ILE A 57 -0.845 -1.212 24.546 1.00 23.44 O ATOM 904 CB ILE A 57 2.360 -1.957 24.522 1.00 53.35 C ATOM 905 CG1 ILE A 57 3.469 -2.608 23.677 1.00 15.23 C ATOM 906 CG2 ILE A 57 1.620 -3.013 25.346 1.00 61.13 C ATOM 907 CD1 ILE A 57 4.480 -3.397 24.487 1.00 30.30 C ATOM 0 H ILE A 57 3.092 -0.042 23.105 1.00 42.01 H new ATOM 0 HA ILE A 57 0.971 -1.825 22.852 1.00 41.34 H new ATOM 0 HB ILE A 57 2.817 -1.255 25.219 1.00 53.35 H new ATOM 0 HG12 ILE A 57 3.010 -3.271 22.943 1.00 15.23 H new ATOM 0 HG13 ILE A 57 3.992 -1.830 23.121 1.00 15.23 H new ATOM 0 HG21 ILE A 57 2.332 -3.551 25.971 1.00 61.13 H new ATOM 0 HG22 ILE A 57 0.877 -2.526 25.978 1.00 61.13 H new ATOM 0 HG23 ILE A 57 1.123 -3.714 24.676 1.00 61.13 H new ATOM 0 HD11 ILE A 57 5.228 -3.824 23.819 1.00 30.30 H new ATOM 0 HD12 ILE A 57 4.968 -2.736 25.203 1.00 30.30 H new ATOM 0 HD13 ILE A 57 3.971 -4.199 25.022 1.00 30.30 H new ATOM 919 N ASN A 58 0.450 0.538 25.100 1.00 21.00 N ATOM 920 CA ASN A 58 -0.604 1.209 25.872 1.00 75.03 C ATOM 921 C ASN A 58 -1.677 1.791 24.944 1.00 73.32 C ATOM 922 O ASN A 58 -2.875 1.727 25.230 1.00 72.31 O ATOM 923 CB ASN A 58 -0.012 2.336 26.725 1.00 42.45 C ATOM 924 CG ASN A 58 1.146 1.865 27.574 1.00 40.41 C ATOM 925 OD1 ASN A 58 0.967 1.419 28.704 1.00 71.41 O ATOM 926 ND2 ASN A 58 2.345 1.967 27.038 1.00 73.13 N ATOM 0 H ASN A 58 1.345 1.027 25.096 1.00 21.00 H new ATOM 0 HA ASN A 58 -1.062 0.464 26.522 1.00 75.03 H new ATOM 0 HB2 ASN A 58 0.323 3.144 26.074 1.00 42.45 H new ATOM 0 HB3 ASN A 58 -0.789 2.747 27.370 1.00 42.45 H new ATOM 0 HD21 ASN A 58 3.166 1.670 27.565 1.00 73.13 H new ATOM 0 HD22 ASN A 58 2.452 2.343 26.096 1.00 73.13 H new ATOM 933 N ASP A 59 -1.233 2.359 23.827 1.00 52.11 N ATOM 934 CA ASP A 59 -2.132 3.044 22.904 1.00 32.22 C ATOM 935 C ASP A 59 -3.070 2.090 22.151 1.00 42.34 C ATOM 936 O ASP A 59 -4.245 2.396 21.988 1.00 72.44 O ATOM 937 CB ASP A 59 -1.342 3.897 21.908 1.00 63.55 C ATOM 938 CG ASP A 59 -0.888 5.207 22.519 1.00 53.53 C ATOM 939 OD1 ASP A 59 -1.754 5.963 23.013 1.00 71.02 O ATOM 940 OD2 ASP A 59 0.323 5.494 22.499 1.00 63.31 O1- ATOM 0 H ASP A 59 -0.255 2.358 23.539 1.00 52.11 H new ATOM 0 HA ASP A 59 -2.761 3.688 23.518 1.00 32.22 H new ATOM 0 HB2 ASP A 59 -0.473 3.338 21.561 1.00 63.55 H new ATOM 0 HB3 ASP A 59 -1.960 4.100 21.034 1.00 63.55 H new ATOM 945 N VAL A 60 -2.568 0.936 21.707 1.00 54.51 N ATOM 946 CA VAL A 60 -3.376 -0.003 20.913 1.00 22.34 C ATOM 947 C VAL A 60 -4.639 -0.447 21.677 1.00 23.54 C ATOM 948 O VAL A 60 -5.673 -0.743 21.078 1.00 33.10 O ATOM 949 CB VAL A 60 -2.547 -1.248 20.491 1.00 52.51 C ATOM 950 CG1 VAL A 60 -2.087 -2.046 21.710 1.00 35.10 C ATOM 951 CG2 VAL A 60 -3.338 -2.128 19.521 1.00 21.35 C ATOM 0 H VAL A 60 -1.612 0.627 21.880 1.00 54.51 H new ATOM 0 HA VAL A 60 -3.686 0.528 20.013 1.00 22.34 H new ATOM 0 HB VAL A 60 -1.655 -0.895 19.973 1.00 52.51 H new ATOM 0 HG11 VAL A 60 -1.510 -2.911 21.382 1.00 35.10 H new ATOM 0 HG12 VAL A 60 -1.466 -1.414 22.345 1.00 35.10 H new ATOM 0 HG13 VAL A 60 -2.957 -2.383 22.274 1.00 35.10 H new ATOM 0 HG21 VAL A 60 -2.736 -2.993 19.241 1.00 21.35 H new ATOM 0 HG22 VAL A 60 -4.256 -2.465 20.002 1.00 21.35 H new ATOM 0 HG23 VAL A 60 -3.586 -1.554 18.628 1.00 21.35 H new ATOM 961 N ARG A 61 -4.550 -0.457 23.005 1.00 32.41 N ATOM 962 CA ARG A 61 -5.705 -0.732 23.864 1.00 32.10 C ATOM 963 C ARG A 61 -6.769 0.374 23.721 1.00 72.23 C ATOM 964 O ARG A 61 -7.969 0.106 23.689 1.00 25.42 O ATOM 965 CB ARG A 61 -5.236 -0.839 25.325 1.00 74.44 C ATOM 966 CG ARG A 61 -6.350 -1.102 26.335 1.00 22.42 C ATOM 967 CD ARG A 61 -5.795 -1.225 27.752 1.00 62.54 C ATOM 968 NE ARG A 61 -6.840 -1.469 28.744 1.00 13.44 N ATOM 969 CZ ARG A 61 -6.611 -1.702 30.009 1.00 72.42 C ATOM 970 NH1 ARG A 61 -5.401 -1.721 30.473 1.00 35.22 N1+ ATOM 971 NH2 ARG A 61 -7.599 -1.913 30.813 1.00 34.31 N ATOM 0 H ARG A 61 -3.685 -0.277 23.515 1.00 32.41 H new ATOM 0 HA ARG A 61 -6.159 -1.675 23.558 1.00 32.10 H new ATOM 0 HB2 ARG A 61 -4.501 -1.640 25.399 1.00 74.44 H new ATOM 0 HB3 ARG A 61 -4.728 0.086 25.598 1.00 74.44 H new ATOM 0 HG2 ARG A 61 -7.078 -0.292 26.296 1.00 22.42 H new ATOM 0 HG3 ARG A 61 -6.878 -2.018 26.068 1.00 22.42 H new ATOM 0 HD2 ARG A 61 -5.070 -2.038 27.785 1.00 62.54 H new ATOM 0 HD3 ARG A 61 -5.260 -0.311 28.010 1.00 62.54 H new ATOM 0 HE ARG A 61 -7.810 -1.457 28.429 1.00 13.44 H new ATOM 0 HH11 ARG A 61 -4.613 -1.553 29.848 1.00 35.22 H new ATOM 0 HH12 ARG A 61 -5.237 -1.904 31.463 1.00 35.22 H new ATOM 0 HH21 ARG A 61 -8.556 -1.898 30.460 1.00 34.31 H new ATOM 0 HH22 ARG A 61 -7.423 -2.095 31.801 1.00 34.31 H new ATOM 985 N LYS A 62 -6.305 1.619 23.633 1.00 73.13 N ATOM 986 CA LYS A 62 -7.185 2.790 23.491 1.00 72.11 C ATOM 987 C LYS A 62 -7.491 3.105 22.007 1.00 50.43 C ATOM 988 O LYS A 62 -8.451 3.809 21.688 1.00 14.34 O ATOM 989 CB LYS A 62 -6.510 3.994 24.164 1.00 54.13 C ATOM 990 CG LYS A 62 -7.396 5.229 24.302 1.00 35.34 C ATOM 991 CD LYS A 62 -6.652 6.379 24.982 1.00 0.25 C ATOM 992 CE LYS A 62 -6.172 6.004 26.384 1.00 33.54 C ATOM 993 NZ LYS A 62 -5.337 7.075 26.989 1.00 25.33 N1+ ATOM 0 H LYS A 62 -5.312 1.850 23.657 1.00 73.13 H new ATOM 0 HA LYS A 62 -8.138 2.572 23.972 1.00 72.11 H new ATOM 0 HB2 LYS A 62 -6.170 3.695 25.156 1.00 54.13 H new ATOM 0 HB3 LYS A 62 -5.623 4.263 23.591 1.00 54.13 H new ATOM 0 HG2 LYS A 62 -7.736 5.546 23.316 1.00 35.34 H new ATOM 0 HG3 LYS A 62 -8.285 4.977 24.880 1.00 35.34 H new ATOM 0 HD2 LYS A 62 -5.796 6.668 24.372 1.00 0.25 H new ATOM 0 HD3 LYS A 62 -7.307 7.248 25.044 1.00 0.25 H new ATOM 0 HE2 LYS A 62 -7.034 5.811 27.023 1.00 33.54 H new ATOM 0 HE3 LYS A 62 -5.597 5.079 26.336 1.00 33.54 H new ATOM 0 HZ1 LYS A 62 -5.032 6.782 27.939 1.00 25.33 H new ATOM 0 HZ2 LYS A 62 -4.501 7.242 26.393 1.00 25.33 H new ATOM 0 HZ3 LYS A 62 -5.893 7.951 27.059 1.00 25.33 H new ATOM 1007 N LYS A 63 -6.654 2.583 21.110 1.00 3.15 N ATOM 1008 CA LYS A 63 -6.773 2.836 19.664 1.00 42.43 C ATOM 1009 C LYS A 63 -7.568 1.729 18.946 1.00 45.32 C ATOM 1010 O LYS A 63 -7.910 1.869 17.769 1.00 74.24 O ATOM 1011 CB LYS A 63 -5.371 2.944 19.022 1.00 4.34 C ATOM 1012 CG LYS A 63 -4.796 4.363 18.890 1.00 44.25 C ATOM 1013 CD LYS A 63 -4.397 5.006 20.224 1.00 62.43 C ATOM 1014 CE LYS A 63 -5.493 5.897 20.795 1.00 25.04 C ATOM 1015 NZ LYS A 63 -5.000 6.712 21.940 1.00 31.13 N1+ ATOM 0 H LYS A 63 -5.875 1.974 21.359 1.00 3.15 H new ATOM 0 HA LYS A 63 -7.313 3.776 19.549 1.00 42.43 H new ATOM 0 HB2 LYS A 63 -4.676 2.346 19.612 1.00 4.34 H new ATOM 0 HB3 LYS A 63 -5.413 2.497 18.029 1.00 4.34 H new ATOM 0 HG2 LYS A 63 -3.922 4.330 18.240 1.00 44.25 H new ATOM 0 HG3 LYS A 63 -5.534 4.998 18.400 1.00 44.25 H new ATOM 0 HD2 LYS A 63 -4.158 4.223 20.944 1.00 62.43 H new ATOM 0 HD3 LYS A 63 -3.491 5.596 20.083 1.00 62.43 H new ATOM 0 HE2 LYS A 63 -5.869 6.557 20.014 1.00 25.04 H new ATOM 0 HE3 LYS A 63 -6.330 5.280 21.121 1.00 25.04 H new ATOM 0 HZ1 LYS A 63 -5.793 7.242 22.356 1.00 31.13 H new ATOM 0 HZ2 LYS A 63 -4.587 6.085 22.660 1.00 31.13 H new ATOM 0 HZ3 LYS A 63 -4.276 7.379 21.605 1.00 31.13 H new ATOM 1029 N THR A 64 -7.861 0.637 19.651 1.00 52.41 N ATOM 1030 CA THR A 64 -8.482 -0.547 19.028 1.00 43.40 C ATOM 1031 C THR A 64 -9.887 -0.265 18.470 1.00 61.13 C ATOM 1032 O THR A 64 -10.625 0.577 18.988 1.00 1.11 O ATOM 1033 CB THR A 64 -8.594 -1.734 20.016 1.00 74.33 C ATOM 1034 OG1 THR A 64 -9.236 -2.851 19.371 1.00 21.40 O ATOM 1035 CG2 THR A 64 -9.386 -1.346 21.263 1.00 12.15 C ATOM 0 H THR A 64 -7.682 0.541 20.651 1.00 52.41 H new ATOM 0 HA THR A 64 -7.816 -0.806 18.205 1.00 43.40 H new ATOM 0 HB THR A 64 -7.585 -2.012 20.321 1.00 74.33 H new ATOM 0 HG1 THR A 64 -9.976 -3.170 19.929 1.00 21.40 H new ATOM 0 HG21 THR A 64 -9.446 -2.201 21.936 1.00 12.15 H new ATOM 0 HG22 THR A 64 -8.886 -0.520 21.769 1.00 12.15 H new ATOM 0 HG23 THR A 64 -10.391 -1.039 20.975 1.00 12.15 H new ATOM 1043 N LYS A 65 -10.253 -0.989 17.410 1.00 31.33 N ATOM 1044 CA LYS A 65 -11.593 -0.885 16.816 1.00 74.41 C ATOM 1045 C LYS A 65 -12.665 -1.451 17.763 1.00 70.32 C ATOM 1046 O LYS A 65 -13.697 -0.823 18.012 1.00 24.42 O ATOM 1047 CB LYS A 65 -11.646 -1.653 15.484 1.00 51.42 C ATOM 1048 CG LYS A 65 -13.005 -1.586 14.785 1.00 4.43 C ATOM 1049 CD LYS A 65 -13.130 -2.611 13.654 1.00 2.31 C ATOM 1050 CE LYS A 65 -13.089 -4.045 14.178 1.00 64.22 C ATOM 1051 NZ LYS A 65 -13.321 -5.044 13.100 1.00 24.24 N1+ ATOM 0 H LYS A 65 -9.640 -1.656 16.942 1.00 31.33 H new ATOM 0 HA LYS A 65 -11.796 0.172 16.642 1.00 74.41 H new ATOM 0 HB2 LYS A 65 -10.884 -1.254 14.815 1.00 51.42 H new ATOM 0 HB3 LYS A 65 -11.394 -2.697 15.667 1.00 51.42 H new ATOM 0 HG2 LYS A 65 -13.795 -1.757 15.516 1.00 4.43 H new ATOM 0 HG3 LYS A 65 -13.155 -0.584 14.382 1.00 4.43 H new ATOM 0 HD2 LYS A 65 -14.064 -2.447 13.117 1.00 2.31 H new ATOM 0 HD3 LYS A 65 -12.321 -2.463 12.939 1.00 2.31 H new ATOM 0 HE2 LYS A 65 -12.121 -4.233 14.643 1.00 64.22 H new ATOM 0 HE3 LYS A 65 -13.844 -4.168 14.954 1.00 64.22 H new ATOM 0 HZ1 LYS A 65 -13.284 -6.003 13.501 1.00 24.24 H new ATOM 0 HZ2 LYS A 65 -14.255 -4.883 12.673 1.00 24.24 H new ATOM 0 HZ3 LYS A 65 -12.586 -4.946 12.371 1.00 24.24 H new ATOM 1065 N ASN A 66 -12.413 -2.655 18.273 1.00 63.41 N ATOM 1066 CA ASN A 66 -13.366 -3.347 19.149 1.00 41.02 C ATOM 1067 C ASN A 66 -12.705 -3.738 20.483 1.00 64.10 C ATOM 1068 O ASN A 66 -11.582 -4.255 20.508 1.00 2.35 O ATOM 1069 CB ASN A 66 -13.926 -4.592 18.436 1.00 73.30 C ATOM 1070 CG ASN A 66 -15.082 -5.245 19.184 1.00 1.22 C ATOM 1071 OD1 ASN A 66 -15.156 -5.202 20.404 1.00 22.12 O ATOM 1072 ND2 ASN A 66 -15.997 -5.853 18.456 1.00 15.33 N ATOM 0 H ASN A 66 -11.554 -3.176 18.096 1.00 63.41 H new ATOM 0 HA ASN A 66 -14.189 -2.667 19.371 1.00 41.02 H new ATOM 0 HB2 ASN A 66 -14.261 -4.311 17.438 1.00 73.30 H new ATOM 0 HB3 ASN A 66 -13.126 -5.321 18.310 1.00 73.30 H new ATOM 0 HD21 ASN A 66 -16.792 -6.303 18.909 1.00 15.33 H new ATOM 0 HD22 ASN A 66 -15.910 -5.873 17.440 1.00 15.33 H new ATOM 1079 N GLU A 67 -13.415 -3.494 21.582 1.00 54.42 N ATOM 1080 CA GLU A 67 -12.938 -3.839 22.927 1.00 73.15 C ATOM 1081 C GLU A 67 -12.676 -5.353 23.061 1.00 21.31 C ATOM 1082 O GLU A 67 -11.682 -5.776 23.654 1.00 13.53 O ATOM 1083 CB GLU A 67 -13.979 -3.383 23.958 1.00 24.34 C ATOM 1084 CG GLU A 67 -13.614 -3.677 25.409 1.00 5.43 C ATOM 1085 CD GLU A 67 -14.675 -3.181 26.380 1.00 21.13 C ATOM 1086 OE1 GLU A 67 -15.677 -3.895 26.593 1.00 73.13 O ATOM 1087 OE2 GLU A 67 -14.518 -2.072 26.928 1.00 64.32 O1- ATOM 0 H GLU A 67 -14.335 -3.053 21.570 1.00 54.42 H new ATOM 0 HA GLU A 67 -11.992 -3.329 23.106 1.00 73.15 H new ATOM 0 HB2 GLU A 67 -14.133 -2.310 23.847 1.00 24.34 H new ATOM 0 HB3 GLU A 67 -14.929 -3.867 23.732 1.00 24.34 H new ATOM 0 HG2 GLU A 67 -13.480 -4.751 25.538 1.00 5.43 H new ATOM 0 HG3 GLU A 67 -12.660 -3.206 25.644 1.00 5.43 H new ATOM 1094 N GLU A 68 -13.564 -6.162 22.483 1.00 23.01 N ATOM 1095 CA GLU A 68 -13.405 -7.623 22.486 1.00 21.11 C ATOM 1096 C GLU A 68 -12.195 -8.062 21.647 1.00 43.10 C ATOM 1097 O GLU A 68 -11.551 -9.072 21.947 1.00 64.11 O ATOM 1098 CB GLU A 68 -14.679 -8.309 21.967 1.00 41.00 C ATOM 1099 CG GLU A 68 -15.876 -8.172 22.903 1.00 62.30 C ATOM 1100 CD GLU A 68 -15.585 -8.702 24.300 1.00 75.43 C ATOM 1101 OE1 GLU A 68 -15.354 -9.921 24.445 1.00 53.24 O ATOM 1102 OE2 GLU A 68 -15.577 -7.903 25.260 1.00 74.33 O1- ATOM 0 H GLU A 68 -14.403 -5.833 22.005 1.00 23.01 H new ATOM 0 HA GLU A 68 -13.231 -7.928 23.518 1.00 21.11 H new ATOM 0 HB2 GLU A 68 -14.938 -7.887 20.996 1.00 41.00 H new ATOM 0 HB3 GLU A 68 -14.472 -9.367 21.809 1.00 41.00 H new ATOM 0 HG2 GLU A 68 -16.164 -7.123 22.968 1.00 62.30 H new ATOM 0 HG3 GLU A 68 -16.726 -8.710 22.483 1.00 62.30 H new ATOM 1109 N LEU A 69 -11.896 -7.300 20.595 1.00 21.23 N ATOM 1110 CA LEU A 69 -10.753 -7.591 19.720 1.00 54.50 C ATOM 1111 C LEU A 69 -9.431 -7.373 20.478 1.00 41.41 C ATOM 1112 O LEU A 69 -8.496 -8.168 20.360 1.00 11.14 O ATOM 1113 CB LEU A 69 -10.823 -6.699 18.461 1.00 51.24 C ATOM 1114 CG LEU A 69 -9.973 -7.141 17.248 1.00 70.44 C ATOM 1115 CD1 LEU A 69 -10.418 -6.395 15.991 1.00 32.11 C ATOM 1116 CD2 LEU A 69 -8.477 -6.913 17.487 1.00 63.51 C ATOM 0 H LEU A 69 -12.429 -6.474 20.325 1.00 21.23 H new ATOM 0 HA LEU A 69 -10.793 -8.635 19.409 1.00 54.50 H new ATOM 0 HB2 LEU A 69 -11.864 -6.640 18.143 1.00 51.24 H new ATOM 0 HB3 LEU A 69 -10.518 -5.691 18.741 1.00 51.24 H new ATOM 0 HG LEU A 69 -10.130 -8.211 17.111 1.00 70.44 H new ATOM 0 HD11 LEU A 69 -9.811 -6.715 15.144 1.00 32.11 H new ATOM 0 HD12 LEU A 69 -11.467 -6.614 15.790 1.00 32.11 H new ATOM 0 HD13 LEU A 69 -10.294 -5.323 16.141 1.00 32.11 H new ATOM 0 HD21 LEU A 69 -7.915 -7.237 16.611 1.00 63.51 H new ATOM 0 HD22 LEU A 69 -8.294 -5.853 17.664 1.00 63.51 H new ATOM 0 HD23 LEU A 69 -8.156 -7.487 18.356 1.00 63.51 H new ATOM 1128 N ALA A 70 -9.376 -6.302 21.274 1.00 35.12 N ATOM 1129 CA ALA A 70 -8.181 -5.974 22.066 1.00 33.43 C ATOM 1130 C ALA A 70 -7.777 -7.135 22.988 1.00 30.03 C ATOM 1131 O ALA A 70 -6.593 -7.370 23.229 1.00 4.23 O ATOM 1132 CB ALA A 70 -8.421 -4.708 22.883 1.00 34.04 C ATOM 0 H ALA A 70 -10.146 -5.643 21.389 1.00 35.12 H new ATOM 0 HA ALA A 70 -7.359 -5.801 21.372 1.00 33.43 H new ATOM 0 HB1 ALA A 70 -7.529 -4.476 23.465 1.00 34.04 H new ATOM 0 HB2 ALA A 70 -8.642 -3.878 22.212 1.00 34.04 H new ATOM 0 HB3 ALA A 70 -9.263 -4.864 23.557 1.00 34.04 H new ATOM 1138 N LYS A 71 -8.773 -7.859 23.495 1.00 13.34 N ATOM 1139 CA LYS A 71 -8.530 -9.031 24.344 1.00 35.14 C ATOM 1140 C LYS A 71 -7.759 -10.126 23.582 1.00 62.24 C ATOM 1141 O LYS A 71 -6.892 -10.799 24.146 1.00 10.32 O ATOM 1142 CB LYS A 71 -9.867 -9.575 24.874 1.00 32.33 C ATOM 1143 CG LYS A 71 -10.641 -8.559 25.712 1.00 73.34 C ATOM 1144 CD LYS A 71 -11.997 -9.094 26.169 1.00 33.32 C ATOM 1145 CE LYS A 71 -12.742 -8.070 27.018 1.00 2.31 C ATOM 1146 NZ LYS A 71 -14.083 -8.553 27.440 1.00 23.13 N1+ ATOM 0 H LYS A 71 -9.760 -7.656 23.334 1.00 13.34 H new ATOM 0 HA LYS A 71 -7.911 -8.723 25.187 1.00 35.14 H new ATOM 0 HB2 LYS A 71 -10.484 -9.887 24.032 1.00 32.33 H new ATOM 0 HB3 LYS A 71 -9.677 -10.463 25.476 1.00 32.33 H new ATOM 0 HG2 LYS A 71 -10.048 -8.285 26.585 1.00 73.34 H new ATOM 0 HG3 LYS A 71 -10.790 -7.650 25.130 1.00 73.34 H new ATOM 0 HD2 LYS A 71 -12.599 -9.354 25.299 1.00 33.32 H new ATOM 0 HD3 LYS A 71 -11.854 -10.010 26.743 1.00 33.32 H new ATOM 0 HE2 LYS A 71 -12.149 -7.834 27.902 1.00 2.31 H new ATOM 0 HE3 LYS A 71 -12.853 -7.145 26.452 1.00 2.31 H new ATOM 0 HZ1 LYS A 71 -14.325 -8.142 28.364 1.00 23.13 H new ATOM 0 HZ2 LYS A 71 -14.793 -8.266 26.736 1.00 23.13 H new ATOM 0 HZ3 LYS A 71 -14.070 -9.590 27.515 1.00 23.13 H new ATOM 1160 N ARG A 72 -8.077 -10.297 22.299 1.00 34.53 N ATOM 1161 CA ARG A 72 -7.357 -11.247 21.438 1.00 65.22 C ATOM 1162 C ARG A 72 -5.945 -10.737 21.101 1.00 14.24 C ATOM 1163 O ARG A 72 -4.967 -11.483 21.175 1.00 35.15 O ATOM 1164 CB ARG A 72 -8.154 -11.503 20.150 1.00 14.13 C ATOM 1165 CG ARG A 72 -9.470 -12.243 20.387 1.00 55.11 C ATOM 1166 CD ARG A 72 -10.274 -12.425 19.103 1.00 3.30 C ATOM 1167 NE ARG A 72 -11.454 -13.261 19.321 1.00 51.15 N ATOM 1168 CZ ARG A 72 -12.604 -13.102 18.723 1.00 74.23 C ATOM 1169 NH1 ARG A 72 -12.775 -12.169 17.842 1.00 65.24 N1+ ATOM 1170 NH2 ARG A 72 -13.581 -13.901 19.002 1.00 73.51 N ATOM 0 H ARG A 72 -8.828 -9.792 21.829 1.00 34.53 H new ATOM 0 HA ARG A 72 -7.252 -12.185 21.984 1.00 65.22 H new ATOM 0 HB2 ARG A 72 -8.364 -10.549 19.666 1.00 14.13 H new ATOM 0 HB3 ARG A 72 -7.540 -12.082 19.460 1.00 14.13 H new ATOM 0 HG2 ARG A 72 -9.261 -13.220 20.823 1.00 55.11 H new ATOM 0 HG3 ARG A 72 -10.068 -11.691 21.112 1.00 55.11 H new ATOM 0 HD2 ARG A 72 -10.583 -11.450 18.725 1.00 3.30 H new ATOM 0 HD3 ARG A 72 -9.643 -12.878 18.339 1.00 3.30 H new ATOM 0 HE ARG A 72 -11.373 -14.026 19.991 1.00 51.15 H new ATOM 0 HH11 ARG A 72 -12.005 -11.544 17.605 1.00 65.24 H new ATOM 0 HH12 ARG A 72 -13.680 -12.059 17.385 1.00 65.24 H new ATOM 0 HH21 ARG A 72 -13.450 -14.648 19.684 1.00 73.51 H new ATOM 0 HH22 ARG A 72 -14.483 -13.785 18.540 1.00 73.51 H new ATOM 1184 N ALA A 73 -5.849 -9.456 20.743 1.00 1.41 N ATOM 1185 CA ALA A 73 -4.562 -8.820 20.424 1.00 25.41 C ATOM 1186 C ALA A 73 -3.605 -8.835 21.628 1.00 23.24 C ATOM 1187 O ALA A 73 -2.388 -8.939 21.469 1.00 43.35 O ATOM 1188 CB ALA A 73 -4.793 -7.390 19.945 1.00 1.32 C ATOM 0 H ALA A 73 -6.651 -8.831 20.665 1.00 1.41 H new ATOM 0 HA ALA A 73 -4.092 -9.396 19.627 1.00 25.41 H new ATOM 0 HB1 ALA A 73 -3.835 -6.926 19.711 1.00 1.32 H new ATOM 0 HB2 ALA A 73 -5.419 -7.402 19.052 1.00 1.32 H new ATOM 0 HB3 ALA A 73 -5.291 -6.820 20.729 1.00 1.32 H new ATOM 1194 N LYS A 74 -4.174 -8.756 22.829 1.00 11.51 N ATOM 1195 CA LYS A 74 -3.399 -8.698 24.077 1.00 62.53 C ATOM 1196 C LYS A 74 -2.387 -9.856 24.187 1.00 22.22 C ATOM 1197 O LYS A 74 -1.269 -9.669 24.675 1.00 74.20 O ATOM 1198 CB LYS A 74 -4.363 -8.719 25.274 1.00 40.34 C ATOM 1199 CG LYS A 74 -3.679 -8.622 26.633 1.00 62.43 C ATOM 1200 CD LYS A 74 -4.693 -8.638 27.774 1.00 43.13 C ATOM 1201 CE LYS A 74 -4.012 -8.557 29.132 1.00 64.53 C ATOM 1202 NZ LYS A 74 -4.987 -8.539 30.252 1.00 2.22 N1+ ATOM 0 H LYS A 74 -5.184 -8.730 22.970 1.00 11.51 H new ATOM 0 HA LYS A 74 -2.825 -7.771 24.076 1.00 62.53 H new ATOM 0 HB2 LYS A 74 -5.065 -7.892 25.174 1.00 40.34 H new ATOM 0 HB3 LYS A 74 -4.947 -9.639 25.239 1.00 40.34 H new ATOM 0 HG2 LYS A 74 -2.984 -9.453 26.751 1.00 62.43 H new ATOM 0 HG3 LYS A 74 -3.091 -7.705 26.681 1.00 62.43 H new ATOM 0 HD2 LYS A 74 -5.381 -7.800 27.661 1.00 43.13 H new ATOM 0 HD3 LYS A 74 -5.289 -9.549 27.719 1.00 43.13 H new ATOM 0 HE2 LYS A 74 -3.341 -9.408 29.251 1.00 64.53 H new ATOM 0 HE3 LYS A 74 -3.397 -7.658 29.174 1.00 64.53 H new ATOM 0 HZ1 LYS A 74 -4.476 -8.483 31.156 1.00 2.22 H new ATOM 0 HZ2 LYS A 74 -5.611 -7.713 30.156 1.00 2.22 H new ATOM 0 HZ3 LYS A 74 -5.557 -9.408 30.230 1.00 2.22 H new ATOM 1216 N LYS A 75 -2.781 -11.048 23.738 1.00 62.43 N ATOM 1217 CA LYS A 75 -1.888 -12.219 23.758 1.00 41.03 C ATOM 1218 C LYS A 75 -0.596 -11.972 22.954 1.00 74.13 C ATOM 1219 O LYS A 75 0.482 -12.413 23.352 1.00 31.23 O ATOM 1220 CB LYS A 75 -2.625 -13.460 23.226 1.00 40.34 C ATOM 1221 CG LYS A 75 -3.627 -14.052 24.217 1.00 33.23 C ATOM 1222 CD LYS A 75 -2.922 -14.623 25.447 1.00 24.21 C ATOM 1223 CE LYS A 75 -3.907 -15.184 26.466 1.00 1.00 C ATOM 1224 NZ LYS A 75 -4.772 -14.125 27.044 1.00 51.50 N1+ ATOM 0 H LYS A 75 -3.709 -11.233 23.356 1.00 62.43 H new ATOM 0 HA LYS A 75 -1.597 -12.394 24.794 1.00 41.03 H new ATOM 0 HB2 LYS A 75 -3.149 -13.194 22.308 1.00 40.34 H new ATOM 0 HB3 LYS A 75 -1.892 -14.223 22.965 1.00 40.34 H new ATOM 0 HG2 LYS A 75 -4.334 -13.282 24.526 1.00 33.23 H new ATOM 0 HG3 LYS A 75 -4.204 -14.838 23.729 1.00 33.23 H new ATOM 0 HD2 LYS A 75 -2.235 -15.410 25.137 1.00 24.21 H new ATOM 0 HD3 LYS A 75 -2.322 -13.842 25.915 1.00 24.21 H new ATOM 0 HE2 LYS A 75 -4.530 -15.941 25.990 1.00 1.00 H new ATOM 0 HE3 LYS A 75 -3.358 -15.680 27.266 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 -5.306 -14.513 27.848 1.00 51.50 H new ATOM 0 HZ2 LYS A 75 -4.181 -13.334 27.371 1.00 51.50 H new ATOM 0 HZ3 LYS A 75 -5.436 -13.785 26.319 1.00 51.50 H new ATOM 1238 N LEU A 76 -0.705 -11.252 21.836 1.00 61.14 N ATOM 1239 CA LEU A 76 0.468 -10.920 21.012 1.00 71.21 C ATOM 1240 C LEU A 76 1.424 -9.984 21.772 1.00 2.11 C ATOM 1241 O LEU A 76 2.642 -10.155 21.738 1.00 21.13 O ATOM 1242 CB LEU A 76 0.043 -10.266 19.683 1.00 61.21 C ATOM 1243 CG LEU A 76 -0.645 -11.195 18.661 1.00 50.53 C ATOM 1244 CD1 LEU A 76 -2.000 -11.684 19.172 1.00 71.12 C ATOM 1245 CD2 LEU A 76 -0.801 -10.487 17.315 1.00 43.01 C ATOM 0 H LEU A 76 -1.588 -10.887 21.478 1.00 61.14 H new ATOM 0 HA LEU A 76 0.989 -11.851 20.791 1.00 71.21 H new ATOM 0 HB2 LEU A 76 -0.633 -9.441 19.907 1.00 61.21 H new ATOM 0 HB3 LEU A 76 0.927 -9.835 19.214 1.00 61.21 H new ATOM 0 HG LEU A 76 -0.008 -12.069 18.525 1.00 50.53 H new ATOM 0 HD11 LEU A 76 -2.456 -12.336 18.427 1.00 71.12 H new ATOM 0 HD12 LEU A 76 -1.861 -12.237 20.101 1.00 71.12 H new ATOM 0 HD13 LEU A 76 -2.651 -10.829 19.353 1.00 71.12 H new ATOM 0 HD21 LEU A 76 -1.288 -11.157 16.606 1.00 43.01 H new ATOM 0 HD22 LEU A 76 -1.408 -9.591 17.443 1.00 43.01 H new ATOM 0 HD23 LEU A 76 0.182 -10.208 16.935 1.00 43.01 H new ATOM 1257 N LEU A 77 0.851 -8.998 22.464 1.00 3.44 N ATOM 1258 CA LEU A 77 1.627 -8.050 23.279 1.00 33.40 C ATOM 1259 C LEU A 77 2.438 -8.778 24.368 1.00 1.34 C ATOM 1260 O LEU A 77 3.560 -8.379 24.698 1.00 61.43 O ATOM 1261 CB LEU A 77 0.687 -7.013 23.923 1.00 30.20 C ATOM 1262 CG LEU A 77 0.155 -5.901 22.989 1.00 11.32 C ATOM 1263 CD1 LEU A 77 -0.472 -6.478 21.722 1.00 73.24 C ATOM 1264 CD2 LEU A 77 -0.854 -5.020 23.727 1.00 0.12 C ATOM 0 H LEU A 77 -0.155 -8.831 22.479 1.00 3.44 H new ATOM 0 HA LEU A 77 2.331 -7.539 22.622 1.00 33.40 H new ATOM 0 HB2 LEU A 77 -0.167 -7.541 24.347 1.00 30.20 H new ATOM 0 HB3 LEU A 77 1.214 -6.541 24.752 1.00 30.20 H new ATOM 0 HG LEU A 77 1.006 -5.291 22.688 1.00 11.32 H new ATOM 0 HD11 LEU A 77 -0.834 -5.665 21.092 1.00 73.24 H new ATOM 0 HD12 LEU A 77 0.275 -7.055 21.177 1.00 73.24 H new ATOM 0 HD13 LEU A 77 -1.306 -7.127 21.991 1.00 73.24 H new ATOM 0 HD21 LEU A 77 -1.218 -4.243 23.055 1.00 0.12 H new ATOM 0 HD22 LEU A 77 -1.692 -5.630 24.064 1.00 0.12 H new ATOM 0 HD23 LEU A 77 -0.372 -4.558 24.589 1.00 0.12 H new ATOM 1276 N ARG A 78 1.856 -9.849 24.916 1.00 62.33 N ATOM 1277 CA ARG A 78 2.522 -10.681 25.930 1.00 12.53 C ATOM 1278 C ARG A 78 3.852 -11.253 25.406 1.00 74.44 C ATOM 1279 O ARG A 78 4.870 -11.221 26.101 1.00 41.21 O ATOM 1280 CB ARG A 78 1.599 -11.834 26.356 1.00 65.21 C ATOM 1281 CG ARG A 78 0.290 -11.392 27.012 1.00 3.12 C ATOM 1282 CD ARG A 78 0.423 -11.177 28.521 1.00 40.20 C ATOM 1283 NE ARG A 78 1.342 -10.092 28.876 1.00 20.21 N ATOM 1284 CZ ARG A 78 0.988 -9.006 29.521 1.00 61.52 C ATOM 1285 NH1 ARG A 78 -0.247 -8.818 29.879 1.00 61.45 N1+ ATOM 1286 NH2 ARG A 78 1.882 -8.126 29.835 1.00 23.41 N ATOM 0 H ARG A 78 0.917 -10.164 24.673 1.00 62.33 H new ATOM 0 HA ARG A 78 2.738 -10.046 26.789 1.00 12.53 H new ATOM 0 HB2 ARG A 78 1.365 -12.438 25.479 1.00 65.21 H new ATOM 0 HB3 ARG A 78 2.139 -12.477 27.051 1.00 65.21 H new ATOM 0 HG2 ARG A 78 -0.049 -10.466 26.547 1.00 3.12 H new ATOM 0 HG3 ARG A 78 -0.477 -12.143 26.823 1.00 3.12 H new ATOM 0 HD2 ARG A 78 -0.561 -10.961 28.938 1.00 40.20 H new ATOM 0 HD3 ARG A 78 0.769 -12.102 28.983 1.00 40.20 H new ATOM 0 HE ARG A 78 2.320 -10.187 28.604 1.00 20.21 H new ATOM 0 HH11 ARG A 78 -0.954 -9.519 29.659 1.00 61.45 H new ATOM 0 HH12 ARG A 78 -0.509 -7.969 30.380 1.00 61.45 H new ATOM 0 HH21 ARG A 78 2.858 -8.278 29.581 1.00 23.41 H new ATOM 0 HH22 ARG A 78 1.611 -7.280 30.337 1.00 23.41 H new ATOM 1300 N SER A 79 3.835 -11.756 24.169 1.00 34.42 N ATOM 1301 CA SER A 79 5.022 -12.373 23.549 1.00 24.23 C ATOM 1302 C SER A 79 6.204 -11.397 23.438 1.00 12.32 C ATOM 1303 O SER A 79 7.358 -11.815 23.329 1.00 55.24 O ATOM 1304 CB SER A 79 4.676 -12.924 22.159 1.00 5.10 C ATOM 1305 OG SER A 79 3.704 -13.955 22.245 1.00 72.23 O ATOM 0 H SER A 79 3.010 -11.750 23.570 1.00 34.42 H new ATOM 0 HA SER A 79 5.329 -13.189 24.204 1.00 24.23 H new ATOM 0 HB2 SER A 79 4.301 -12.118 21.528 1.00 5.10 H new ATOM 0 HB3 SER A 79 5.578 -13.309 21.682 1.00 5.10 H new ATOM 0 HG SER A 79 4.148 -14.809 22.428 1.00 72.23 H new ATOM 1311 N TRP A 80 5.919 -10.095 23.450 1.00 74.12 N ATOM 1312 CA TRP A 80 6.976 -9.074 23.408 1.00 75.14 C ATOM 1313 C TRP A 80 7.572 -8.855 24.809 1.00 1.15 C ATOM 1314 O TRP A 80 8.755 -8.547 24.962 1.00 32.25 O ATOM 1315 CB TRP A 80 6.427 -7.739 22.884 1.00 71.14 C ATOM 1316 CG TRP A 80 5.607 -7.846 21.630 1.00 1.30 C ATOM 1317 CD1 TRP A 80 5.561 -8.887 20.747 1.00 62.42 C ATOM 1318 CD2 TRP A 80 4.714 -6.852 21.125 1.00 75.34 C ATOM 1319 NE1 TRP A 80 4.682 -8.601 19.731 1.00 33.24 N ATOM 1320 CE2 TRP A 80 4.149 -7.356 19.943 1.00 30.35 C ATOM 1321 CE3 TRP A 80 4.331 -5.583 21.572 1.00 45.00 C ATOM 1322 CZ2 TRP A 80 3.227 -6.631 19.195 1.00 11.31 C ATOM 1323 CZ3 TRP A 80 3.418 -4.864 20.830 1.00 14.24 C ATOM 1324 CH2 TRP A 80 2.869 -5.391 19.654 1.00 45.04 C ATOM 0 H TRP A 80 4.971 -9.720 23.488 1.00 74.12 H new ATOM 0 HA TRP A 80 7.753 -9.432 22.733 1.00 75.14 H new ATOM 0 HB2 TRP A 80 5.817 -7.282 23.663 1.00 71.14 H new ATOM 0 HB3 TRP A 80 7.264 -7.066 22.698 1.00 71.14 H new ATOM 0 HD1 TRP A 80 6.131 -9.800 20.835 1.00 62.42 H new ATOM 0 HE1 TRP A 80 4.462 -9.215 18.947 1.00 33.24 H new ATOM 0 HE3 TRP A 80 4.743 -5.174 22.482 1.00 45.00 H new ATOM 0 HZ2 TRP A 80 2.808 -7.032 18.284 1.00 11.31 H new ATOM 0 HZ3 TRP A 80 3.122 -3.879 21.161 1.00 14.24 H new ATOM 0 HH2 TRP A 80 2.149 -4.808 19.098 1.00 45.04 H new ATOM 1335 N GLN A 81 6.736 -9.042 25.827 1.00 65.43 N ATOM 1336 CA GLN A 81 7.107 -8.767 27.221 1.00 22.12 C ATOM 1337 C GLN A 81 8.247 -9.673 27.720 1.00 53.14 C ATOM 1338 O GLN A 81 8.915 -9.353 28.706 1.00 34.31 O ATOM 1339 CB GLN A 81 5.882 -8.918 28.136 1.00 4.11 C ATOM 1340 CG GLN A 81 4.667 -8.094 27.706 1.00 32.32 C ATOM 1341 CD GLN A 81 4.967 -6.609 27.572 1.00 35.20 C ATOM 1342 OE1 GLN A 81 4.846 -5.850 28.525 1.00 63.51 O ATOM 1343 NE2 GLN A 81 5.342 -6.178 26.381 1.00 24.41 N ATOM 0 H GLN A 81 5.783 -9.388 25.714 1.00 65.43 H new ATOM 0 HA GLN A 81 7.470 -7.740 27.256 1.00 22.12 H new ATOM 0 HB2 GLN A 81 5.598 -9.970 28.172 1.00 4.11 H new ATOM 0 HB3 GLN A 81 6.162 -8.628 29.149 1.00 4.11 H new ATOM 0 HG2 GLN A 81 4.300 -8.471 26.752 1.00 32.32 H new ATOM 0 HG3 GLN A 81 3.867 -8.232 28.433 1.00 32.32 H new ATOM 0 HE21 GLN A 81 5.434 -6.835 25.606 1.00 24.41 H new ATOM 0 HE22 GLN A 81 5.540 -5.188 26.236 1.00 24.41 H new ATOM 1352 N LYS A 82 8.480 -10.794 27.029 1.00 73.24 N ATOM 1353 CA LYS A 82 9.500 -11.772 27.446 1.00 1.03 C ATOM 1354 C LYS A 82 10.916 -11.163 27.495 1.00 71.02 C ATOM 1355 O LYS A 82 11.861 -11.804 27.962 1.00 34.44 O ATOM 1356 CB LYS A 82 9.464 -13.012 26.526 1.00 11.13 C ATOM 1357 CG LYS A 82 9.750 -12.740 25.043 1.00 64.41 C ATOM 1358 CD LYS A 82 11.246 -12.707 24.716 1.00 61.23 C ATOM 1359 CE LYS A 82 11.912 -14.064 24.924 1.00 33.11 C ATOM 1360 NZ LYS A 82 13.366 -14.019 24.616 1.00 63.23 N1+ ATOM 0 H LYS A 82 7.978 -11.050 26.179 1.00 73.24 H new ATOM 0 HA LYS A 82 9.257 -12.079 28.463 1.00 1.03 H new ATOM 0 HB2 LYS A 82 10.192 -13.736 26.892 1.00 11.13 H new ATOM 0 HB3 LYS A 82 8.482 -13.477 26.610 1.00 11.13 H new ATOM 0 HG2 LYS A 82 9.269 -13.510 24.439 1.00 64.41 H new ATOM 0 HG3 LYS A 82 9.301 -11.787 24.761 1.00 64.41 H new ATOM 0 HD2 LYS A 82 11.383 -12.392 23.682 1.00 61.23 H new ATOM 0 HD3 LYS A 82 11.737 -11.963 25.344 1.00 61.23 H new ATOM 0 HE2 LYS A 82 11.769 -14.385 25.956 1.00 33.11 H new ATOM 0 HE3 LYS A 82 11.429 -14.807 24.289 1.00 33.11 H new ATOM 0 HZ1 LYS A 82 13.783 -14.959 24.769 1.00 63.23 H new ATOM 0 HZ2 LYS A 82 13.502 -13.738 23.624 1.00 63.23 H new ATOM 0 HZ3 LYS A 82 13.832 -13.328 25.239 1.00 63.23 H new ATOM 1374 N LEU A 83 11.053 -9.931 27.007 1.00 12.50 N ATOM 1375 CA LEU A 83 12.321 -9.196 27.074 1.00 60.11 C ATOM 1376 C LEU A 83 12.572 -8.668 28.502 1.00 52.43 C ATOM 1377 O LEU A 83 13.701 -8.695 28.999 1.00 3.34 O ATOM 1378 CB LEU A 83 12.294 -8.035 26.053 1.00 34.31 C ATOM 1379 CG LEU A 83 13.647 -7.356 25.720 1.00 53.03 C ATOM 1380 CD1 LEU A 83 14.121 -6.439 26.846 1.00 3.32 C ATOM 1381 CD2 LEU A 83 14.714 -8.402 25.392 1.00 61.12 C ATOM 0 H LEU A 83 10.297 -9.415 26.557 1.00 12.50 H new ATOM 0 HA LEU A 83 13.140 -9.870 26.824 1.00 60.11 H new ATOM 0 HB2 LEU A 83 11.867 -8.412 25.124 1.00 34.31 H new ATOM 0 HB3 LEU A 83 11.615 -7.270 26.429 1.00 34.31 H new ATOM 0 HG LEU A 83 13.486 -6.734 24.840 1.00 53.03 H new ATOM 0 HD11 LEU A 83 15.072 -5.985 26.569 1.00 3.32 H new ATOM 0 HD12 LEU A 83 13.381 -5.657 27.014 1.00 3.32 H new ATOM 0 HD13 LEU A 83 14.248 -7.020 27.759 1.00 3.32 H new ATOM 0 HD21 LEU A 83 15.655 -7.902 25.162 1.00 61.12 H new ATOM 0 HD22 LEU A 83 14.853 -9.061 26.249 1.00 61.12 H new ATOM 0 HD23 LEU A 83 14.395 -8.990 24.531 1.00 61.12 H new ATOM 1393 N ILE A 84 11.513 -8.197 29.165 1.00 2.31 N ATOM 1394 CA ILE A 84 11.636 -7.625 30.517 1.00 35.03 C ATOM 1395 C ILE A 84 11.220 -8.625 31.610 1.00 41.01 C ATOM 1396 O ILE A 84 11.613 -8.490 32.772 1.00 64.30 O ATOM 1397 CB ILE A 84 10.790 -6.332 30.663 1.00 32.14 C ATOM 1398 CG1 ILE A 84 9.299 -6.622 30.400 1.00 63.11 C ATOM 1399 CG2 ILE A 84 11.307 -5.253 29.715 1.00 51.11 C ATOM 1400 CD1 ILE A 84 8.396 -5.415 30.561 1.00 3.34 C ATOM 0 H ILE A 84 10.563 -8.198 28.794 1.00 2.31 H new ATOM 0 HA ILE A 84 12.691 -7.384 30.650 1.00 35.03 H new ATOM 0 HB ILE A 84 10.886 -5.969 31.686 1.00 32.14 H new ATOM 0 HG12 ILE A 84 9.189 -7.012 29.388 1.00 63.11 H new ATOM 0 HG13 ILE A 84 8.966 -7.405 31.082 1.00 63.11 H new ATOM 0 HG21 ILE A 84 10.705 -4.351 29.827 1.00 51.11 H new ATOM 0 HG22 ILE A 84 12.347 -5.027 29.953 1.00 51.11 H new ATOM 0 HG23 ILE A 84 11.239 -5.609 28.687 1.00 51.11 H new ATOM 0 HD11 ILE A 84 7.364 -5.703 30.359 1.00 3.34 H new ATOM 0 HD12 ILE A 84 8.474 -5.036 31.580 1.00 3.34 H new ATOM 0 HD13 ILE A 84 8.700 -4.637 29.860 1.00 3.34 H new ATOM 1412 N GLU A 85 10.422 -9.623 31.235 1.00 41.43 N ATOM 1413 CA GLU A 85 9.967 -10.659 32.176 1.00 44.12 C ATOM 1414 C GLU A 85 9.941 -12.045 31.514 1.00 73.33 C ATOM 1415 O GLU A 85 9.540 -12.177 30.360 1.00 33.04 O ATOM 1416 CB GLU A 85 8.572 -10.320 32.730 1.00 25.10 C ATOM 1417 CG GLU A 85 8.539 -9.065 33.598 1.00 3.45 C ATOM 1418 CD GLU A 85 7.230 -8.908 34.350 1.00 15.33 C ATOM 1419 OE1 GLU A 85 6.529 -7.893 34.145 1.00 32.33 O ATOM 1420 OE2 GLU A 85 6.895 -9.802 35.153 1.00 73.55 O1- ATOM 0 H GLU A 85 10.073 -9.741 30.284 1.00 41.43 H new ATOM 0 HA GLU A 85 10.680 -10.685 33.000 1.00 44.12 H new ATOM 0 HB2 GLU A 85 7.882 -10.191 31.896 1.00 25.10 H new ATOM 0 HB3 GLU A 85 8.209 -11.165 33.316 1.00 25.10 H new ATOM 0 HG2 GLU A 85 9.362 -9.100 34.312 1.00 3.45 H new ATOM 0 HG3 GLU A 85 8.700 -8.189 32.970 1.00 3.45 H new ATOM 1427 N PRO A 86 10.360 -13.103 32.235 1.00 42.44 N ATOM 1428 CA PRO A 86 10.378 -14.470 31.689 1.00 21.24 C ATOM 1429 C PRO A 86 8.964 -15.027 31.444 1.00 45.14 C ATOM 1430 O PRO A 86 8.429 -15.790 32.252 1.00 3.34 O ATOM 1431 CB PRO A 86 11.118 -15.274 32.770 1.00 35.02 C ATOM 1432 CG PRO A 86 10.892 -14.508 34.031 1.00 44.41 C ATOM 1433 CD PRO A 86 10.845 -13.056 33.629 1.00 52.34 C ATOM 0 HA PRO A 86 10.858 -14.517 30.712 1.00 21.24 H new ATOM 0 HB2 PRO A 86 10.727 -16.288 32.847 1.00 35.02 H new ATOM 0 HB3 PRO A 86 12.181 -15.359 32.543 1.00 35.02 H new ATOM 0 HG2 PRO A 86 9.961 -14.811 34.511 1.00 44.41 H new ATOM 0 HG3 PRO A 86 11.693 -14.689 34.747 1.00 44.41 H new ATOM 0 HD2 PRO A 86 10.174 -12.483 34.269 1.00 52.34 H new ATOM 0 HD3 PRO A 86 11.827 -12.588 33.697 1.00 52.34 H new ATOM 1441 N ALA A 87 8.351 -14.614 30.337 1.00 73.02 N ATOM 1442 CA ALA A 87 7.004 -15.069 29.972 1.00 44.21 C ATOM 1443 C ALA A 87 6.835 -15.142 28.447 1.00 41.20 C ATOM 1444 O ALA A 87 6.699 -14.117 27.778 1.00 51.45 O ATOM 1445 CB ALA A 87 5.953 -14.144 30.585 1.00 74.43 C ATOM 0 H ALA A 87 8.765 -13.961 29.671 1.00 73.02 H new ATOM 0 HA ALA A 87 6.865 -16.074 30.370 1.00 44.21 H new ATOM 0 HB1 ALA A 87 4.957 -14.491 30.308 1.00 74.43 H new ATOM 0 HB2 ALA A 87 6.051 -14.151 31.671 1.00 74.43 H new ATOM 0 HB3 ALA A 87 6.100 -13.130 30.214 1.00 74.43 H new ATOM 1451 N HIS A 88 6.847 -16.356 27.899 1.00 31.32 N ATOM 1452 CA HIS A 88 6.738 -16.553 26.448 1.00 41.43 C ATOM 1453 C HIS A 88 6.104 -17.915 26.112 1.00 53.20 C ATOM 1454 O HIS A 88 6.236 -18.876 26.877 1.00 60.41 O ATOM 1455 CB HIS A 88 8.121 -16.425 25.797 1.00 3.02 C ATOM 1456 CG HIS A 88 9.129 -17.408 26.305 1.00 62.24 C ATOM 1457 ND1 HIS A 88 9.383 -18.614 25.690 1.00 71.53 N ATOM 1458 CD2 HIS A 88 9.961 -17.351 27.373 1.00 22.13 C ATOM 1459 CE1 HIS A 88 10.322 -19.257 26.356 1.00 71.22 C ATOM 1460 NE2 HIS A 88 10.690 -18.513 27.378 1.00 53.13 N ATOM 0 H HIS A 88 6.931 -17.220 28.435 1.00 31.32 H new ATOM 0 HA HIS A 88 6.084 -15.779 26.047 1.00 41.43 H new ATOM 0 HB2 HIS A 88 8.017 -16.552 24.719 1.00 3.02 H new ATOM 0 HB3 HIS A 88 8.497 -15.416 25.964 1.00 3.02 H new ATOM 0 HD2 HIS A 88 10.036 -16.543 28.086 1.00 22.13 H new ATOM 0 HE1 HIS A 88 10.721 -20.229 26.106 1.00 71.22 H new ATOM 0 HE2 HIS A 88 11.403 -18.761 28.064 1.00 53.13 H new ATOM 1469 N GLN A 89 5.418 -17.993 24.972 1.00 31.33 N ATOM 1470 CA GLN A 89 4.683 -19.204 24.587 1.00 71.41 C ATOM 1471 C GLN A 89 5.226 -19.833 23.291 1.00 0.12 C ATOM 1472 O GLN A 89 5.921 -20.854 23.326 1.00 34.01 O ATOM 1473 CB GLN A 89 3.182 -18.901 24.409 1.00 63.12 C ATOM 1474 CG GLN A 89 2.478 -18.385 25.667 1.00 61.23 C ATOM 1475 CD GLN A 89 2.614 -16.881 25.874 1.00 70.44 C ATOM 1476 OE1 GLN A 89 3.584 -16.256 25.463 1.00 32.34 O ATOM 1477 NE2 GLN A 89 1.637 -16.287 26.521 1.00 33.14 N ATOM 0 H GLN A 89 5.354 -17.232 24.296 1.00 31.33 H new ATOM 0 HA GLN A 89 4.823 -19.919 25.398 1.00 71.41 H new ATOM 0 HB2 GLN A 89 3.066 -18.162 23.616 1.00 63.12 H new ATOM 0 HB3 GLN A 89 2.680 -19.809 24.075 1.00 63.12 H new ATOM 0 HG2 GLN A 89 1.420 -18.641 25.611 1.00 61.23 H new ATOM 0 HG3 GLN A 89 2.885 -18.900 26.537 1.00 61.23 H new ATOM 0 HE21 GLN A 89 0.840 -16.831 26.853 1.00 33.14 H new ATOM 0 HE22 GLN A 89 1.675 -15.282 26.692 1.00 33.14 H new ATOM 1486 N HIS A 90 4.908 -19.224 22.147 1.00 55.55 N ATOM 1487 CA HIS A 90 5.235 -19.812 20.840 1.00 25.34 C ATOM 1488 C HIS A 90 5.821 -18.762 19.877 1.00 53.15 C ATOM 1489 O HIS A 90 5.248 -18.472 18.823 1.00 54.33 O ATOM 1490 CB HIS A 90 3.972 -20.447 20.234 1.00 61.01 C ATOM 1491 CG HIS A 90 4.238 -21.342 19.063 1.00 15.31 C ATOM 1492 ND1 HIS A 90 4.455 -20.876 17.785 1.00 54.23 N ATOM 1493 CD2 HIS A 90 4.322 -22.691 18.984 1.00 13.43 C ATOM 1494 CE1 HIS A 90 4.658 -21.893 16.975 1.00 1.54 C ATOM 1495 NE2 HIS A 90 4.584 -23.007 17.675 1.00 41.31 N ATOM 0 H HIS A 90 4.426 -18.327 22.096 1.00 55.55 H new ATOM 0 HA HIS A 90 5.995 -20.579 20.989 1.00 25.34 H new ATOM 0 HB2 HIS A 90 3.460 -21.021 21.007 1.00 61.01 H new ATOM 0 HB3 HIS A 90 3.293 -19.653 19.924 1.00 61.01 H new ATOM 0 HD1 HIS A 90 4.458 -19.894 17.509 1.00 54.23 H new ATOM 0 HD2 HIS A 90 4.205 -23.389 19.800 1.00 13.43 H new ATOM 0 HE1 HIS A 90 4.853 -21.826 15.915 1.00 1.54 H new ATOM 1504 N GLU A 91 6.969 -18.201 20.244 1.00 70.11 N ATOM 1505 CA GLU A 91 7.624 -17.158 19.443 1.00 15.41 C ATOM 1506 C GLU A 91 9.146 -17.372 19.364 1.00 21.11 C ATOM 1507 O GLU A 91 9.911 -16.416 19.187 1.00 14.34 O ATOM 1508 CB GLU A 91 7.306 -15.763 20.024 1.00 64.34 C ATOM 1509 CG GLU A 91 7.764 -15.545 21.469 1.00 54.22 C ATOM 1510 CD GLU A 91 7.035 -16.434 22.468 1.00 64.44 C ATOM 1511 OE1 GLU A 91 5.899 -16.089 22.860 1.00 65.05 O ATOM 1512 OE2 GLU A 91 7.591 -17.486 22.856 1.00 22.05 O1- ATOM 0 H GLU A 91 7.472 -18.450 21.096 1.00 70.11 H new ATOM 0 HA GLU A 91 7.231 -17.221 18.428 1.00 15.41 H new ATOM 0 HB2 GLU A 91 7.774 -15.008 19.392 1.00 64.34 H new ATOM 0 HB3 GLU A 91 6.229 -15.601 19.971 1.00 64.34 H new ATOM 0 HG2 GLU A 91 8.835 -15.735 21.537 1.00 54.22 H new ATOM 0 HG3 GLU A 91 7.608 -14.501 21.740 1.00 54.22 H new ATOM 1519 N ALA A 92 9.584 -18.628 19.463 1.00 52.24 N ATOM 1520 CA ALA A 92 11.012 -18.966 19.361 1.00 1.42 C ATOM 1521 C ALA A 92 11.382 -19.499 17.957 1.00 24.03 C ATOM 1522 O ALA A 92 11.317 -20.735 17.739 1.00 39.33 O ATOM 1523 CB ALA A 92 11.381 -19.979 20.440 1.00 14.21 C ATOM 1524 OXT ALA A 92 11.743 -18.678 17.079 1.00 39.33 O ATOM 0 H ALA A 92 8.973 -19.431 19.614 1.00 52.24 H new ATOM 0 HA ALA A 92 11.586 -18.052 19.515 1.00 1.42 H new ATOM 0 HB1 ALA A 92 12.440 -20.226 20.360 1.00 14.21 H new ATOM 0 HB2 ALA A 92 11.181 -19.553 21.423 1.00 14.21 H new ATOM 0 HB3 ALA A 92 10.786 -20.883 20.309 1.00 14.21 H new TER 1530 ALA A 92