USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 535 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 34 TYR OH : rot -146:sc= 1.19 USER MOD Set 1.2: A 36 SER OG : rot 78:sc= 2.29 USER MOD Set 2.1: A 21 LYS NZ :NH3+ -171:sc= 0.98 (180deg=-0.28) USER MOD Set 2.2: A 25 SER OG : rot -110:sc= 0.985 USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= 0.533 USER MOD Set 3.2: A 17 SER OG : rot 97:sc= 0.707 USER MOD Set 4.1: A 13 MET CE :methyl -115:sc= -0.275 (180deg=-0.516) USER MOD Set 4.2: A 42 ASN : amide:sc= 0.301 K(o=0.026,f=-5.8!) USER MOD Single : A 14 THR OG1 : rot -42:sc= 0.792 USER MOD Single : A 18 CYS SG : rot -99:sc= 0.306 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.173 F(o=-1.3,f=-0.17) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -119:sc= 1.33 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= -0.159 K(o=-0.16,f=-7.6!) USER MOD Single : A 35 CYS SG : rot 21:sc= -0.0902 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= 1.03 (180deg=-0.828!) USER MOD Single : A 45 HIS : no HE2:sc= -1.87! X(o=-1.9!,f=-1.9) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 165:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 2.29 K(o=2.3,f=-13!) USER MOD Single : A 61 THR OG1 : rot 72:sc= 1.16 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -17:sc= 0.736 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 9.115 -4.728 2.618 1.00 1.18 N ATOM 47 CA VAL A 5 8.496 -3.445 2.908 1.00 1.09 C ATOM 48 C VAL A 5 8.342 -2.686 1.594 1.00 1.15 C ATOM 49 O VAL A 5 9.218 -1.905 1.217 1.00 1.73 O ATOM 50 CB VAL A 5 9.336 -2.670 3.938 1.00 1.36 C ATOM 51 CG1 VAL A 5 8.604 -1.392 4.374 1.00 2.46 C ATOM 52 CG2 VAL A 5 9.575 -3.541 5.174 1.00 1.61 C ATOM 0 HA VAL A 5 7.509 -3.580 3.352 1.00 1.09 H new ATOM 0 HB VAL A 5 10.287 -2.406 3.475 1.00 1.36 H new ATOM 0 HG11 VAL A 5 9.212 -0.855 5.103 1.00 2.46 H new ATOM 0 HG12 VAL A 5 8.433 -0.756 3.505 1.00 2.46 H new ATOM 0 HG13 VAL A 5 7.647 -1.656 4.824 1.00 2.46 H new ATOM 0 HG21 VAL A 5 10.170 -2.987 5.900 1.00 1.61 H new ATOM 0 HG22 VAL A 5 8.618 -3.810 5.620 1.00 1.61 H new ATOM 0 HG23 VAL A 5 10.108 -4.447 4.883 1.00 1.61 H new ATOM 62 N LEU A 6 7.233 -2.903 0.887 1.00 1.01 N ATOM 63 CA LEU A 6 6.935 -2.093 -0.280 1.00 1.19 C ATOM 64 C LEU A 6 6.445 -0.739 0.230 1.00 0.91 C ATOM 65 O LEU A 6 5.255 -0.546 0.472 1.00 1.23 O ATOM 66 CB LEU A 6 5.933 -2.787 -1.220 1.00 1.48 C ATOM 67 CG LEU A 6 6.078 -2.398 -2.701 1.00 1.63 C ATOM 68 CD1 LEU A 6 6.034 -0.883 -2.911 1.00 2.48 C ATOM 69 CD2 LEU A 6 7.356 -2.968 -3.331 1.00 1.83 C ATOM 0 H LEU A 6 6.541 -3.621 1.101 1.00 1.01 H new ATOM 0 HA LEU A 6 7.825 -1.951 -0.892 1.00 1.19 H new ATOM 0 HB2 LEU A 6 6.053 -3.866 -1.127 1.00 1.48 H new ATOM 0 HB3 LEU A 6 4.921 -2.550 -0.892 1.00 1.48 H new ATOM 0 HG LEU A 6 5.218 -2.841 -3.204 1.00 1.63 H new ATOM 0 HD11 LEU A 6 6.140 -0.660 -3.973 1.00 2.48 H new ATOM 0 HD12 LEU A 6 5.081 -0.493 -2.552 1.00 2.48 H new ATOM 0 HD13 LEU A 6 6.849 -0.415 -2.358 1.00 2.48 H new ATOM 0 HD21 LEU A 6 7.412 -2.666 -4.377 1.00 1.83 H new ATOM 0 HD22 LEU A 6 8.226 -2.588 -2.796 1.00 1.83 H new ATOM 0 HD23 LEU A 6 7.338 -4.056 -3.269 1.00 1.83 H new ATOM 81 N GLU A 7 7.377 0.195 0.417 1.00 0.59 N ATOM 82 CA GLU A 7 7.040 1.602 0.473 1.00 0.59 C ATOM 83 C GLU A 7 6.714 2.072 -0.941 1.00 0.64 C ATOM 84 O GLU A 7 7.578 2.015 -1.815 1.00 0.88 O ATOM 85 CB GLU A 7 8.208 2.423 1.018 1.00 0.84 C ATOM 86 CG GLU A 7 8.494 2.145 2.496 1.00 0.74 C ATOM 87 CD GLU A 7 8.837 3.427 3.244 1.00 1.03 C ATOM 88 OE1 GLU A 7 9.543 4.286 2.669 1.00 2.11 O ATOM 89 OE2 GLU A 7 8.260 3.665 4.330 1.00 2.01 O ATOM 0 H GLU A 7 8.370 -0.006 0.532 1.00 0.59 H new ATOM 0 HA GLU A 7 6.186 1.740 1.137 1.00 0.59 H new ATOM 0 HB2 GLU A 7 9.102 2.206 0.433 1.00 0.84 H new ATOM 0 HB3 GLU A 7 7.992 3.483 0.888 1.00 0.84 H new ATOM 0 HG2 GLU A 7 7.624 1.675 2.955 1.00 0.74 H new ATOM 0 HG3 GLU A 7 9.320 1.439 2.582 1.00 0.74 H new ATOM 96 N LEU A 8 5.495 2.563 -1.157 1.00 0.56 N ATOM 97 CA LEU A 8 5.148 3.302 -2.358 1.00 0.59 C ATOM 98 C LEU A 8 4.508 4.624 -1.937 1.00 0.58 C ATOM 99 O LEU A 8 3.916 4.717 -0.863 1.00 0.68 O ATOM 100 CB LEU A 8 4.296 2.436 -3.314 1.00 0.67 C ATOM 101 CG LEU A 8 2.980 1.894 -2.725 1.00 0.74 C ATOM 102 CD1 LEU A 8 1.859 2.935 -2.812 1.00 1.84 C ATOM 103 CD2 LEU A 8 2.528 0.664 -3.522 1.00 1.63 C ATOM 0 H LEU A 8 4.722 2.457 -0.500 1.00 0.56 H new ATOM 0 HA LEU A 8 6.033 3.549 -2.944 1.00 0.59 H new ATOM 0 HB2 LEU A 8 4.061 3.027 -4.199 1.00 0.67 H new ATOM 0 HB3 LEU A 8 4.900 1.591 -3.646 1.00 0.67 H new ATOM 0 HG LEU A 8 3.167 1.644 -1.681 1.00 0.74 H new ATOM 0 HD11 LEU A 8 0.944 2.521 -2.388 1.00 1.84 H new ATOM 0 HD12 LEU A 8 2.146 3.826 -2.254 1.00 1.84 H new ATOM 0 HD13 LEU A 8 1.688 3.199 -3.856 1.00 1.84 H new ATOM 0 HD21 LEU A 8 1.597 0.282 -3.104 1.00 1.63 H new ATOM 0 HD22 LEU A 8 2.370 0.943 -4.564 1.00 1.63 H new ATOM 0 HD23 LEU A 8 3.295 -0.108 -3.465 1.00 1.63 H new ATOM 115 N VAL A 9 4.659 5.662 -2.757 1.00 0.59 N ATOM 116 CA VAL A 9 3.975 6.932 -2.589 1.00 0.60 C ATOM 117 C VAL A 9 2.752 6.885 -3.493 1.00 0.66 C ATOM 118 O VAL A 9 2.847 6.430 -4.634 1.00 0.79 O ATOM 119 CB VAL A 9 4.918 8.095 -2.926 1.00 0.67 C ATOM 120 CG1 VAL A 9 4.194 9.446 -2.946 1.00 0.85 C ATOM 121 CG2 VAL A 9 6.029 8.174 -1.873 1.00 0.91 C ATOM 0 H VAL A 9 5.273 5.638 -3.571 1.00 0.59 H new ATOM 0 HA VAL A 9 3.662 7.096 -1.558 1.00 0.60 H new ATOM 0 HB VAL A 9 5.321 7.900 -3.920 1.00 0.67 H new ATOM 0 HG11 VAL A 9 4.905 10.236 -3.189 1.00 0.85 H new ATOM 0 HG12 VAL A 9 3.404 9.424 -3.697 1.00 0.85 H new ATOM 0 HG13 VAL A 9 3.758 9.640 -1.966 1.00 0.85 H new ATOM 0 HG21 VAL A 9 6.699 9.000 -2.112 1.00 0.91 H new ATOM 0 HG22 VAL A 9 5.588 8.338 -0.890 1.00 0.91 H new ATOM 0 HG23 VAL A 9 6.592 7.241 -1.867 1.00 0.91 H new ATOM 131 N VAL A 10 1.609 7.328 -2.974 1.00 0.69 N ATOM 132 CA VAL A 10 0.395 7.488 -3.757 1.00 0.91 C ATOM 133 C VAL A 10 0.156 8.979 -3.980 1.00 1.35 C ATOM 134 O VAL A 10 0.865 9.821 -3.437 1.00 2.55 O ATOM 135 CB VAL A 10 -0.808 6.795 -3.080 1.00 1.13 C ATOM 136 CG1 VAL A 10 -0.890 5.314 -3.441 1.00 1.35 C ATOM 137 CG2 VAL A 10 -0.786 6.910 -1.558 1.00 1.47 C ATOM 0 H VAL A 10 1.503 7.586 -1.993 1.00 0.69 H new ATOM 0 HA VAL A 10 0.512 7.001 -4.725 1.00 0.91 H new ATOM 0 HB VAL A 10 -1.682 7.323 -3.461 1.00 1.13 H new ATOM 0 HG11 VAL A 10 -1.750 4.865 -2.944 1.00 1.35 H new ATOM 0 HG12 VAL A 10 -0.999 5.208 -4.520 1.00 1.35 H new ATOM 0 HG13 VAL A 10 0.020 4.810 -3.117 1.00 1.35 H new ATOM 0 HG21 VAL A 10 -1.657 6.403 -1.142 1.00 1.47 H new ATOM 0 HG22 VAL A 10 0.122 6.447 -1.171 1.00 1.47 H new ATOM 0 HG23 VAL A 10 -0.807 7.962 -1.272 1.00 1.47 H new ATOM 147 N ARG A 11 -0.887 9.293 -4.742 1.00 0.86 N ATOM 148 CA ARG A 11 -1.646 10.525 -4.663 1.00 0.84 C ATOM 149 C ARG A 11 -3.115 10.088 -4.709 1.00 0.74 C ATOM 150 O ARG A 11 -3.389 8.907 -4.949 1.00 0.73 O ATOM 151 CB ARG A 11 -1.267 11.484 -5.803 1.00 1.12 C ATOM 152 CG ARG A 11 0.144 12.078 -5.704 1.00 1.20 C ATOM 153 CD ARG A 11 0.348 12.928 -4.443 1.00 2.38 C ATOM 154 NE ARG A 11 1.591 13.708 -4.526 1.00 3.25 N ATOM 155 CZ ARG A 11 2.043 14.541 -3.575 1.00 4.92 C ATOM 156 NH1 ARG A 11 1.416 14.634 -2.397 1.00 6.17 N ATOM 157 NH2 ARG A 11 3.130 15.287 -3.809 1.00 5.85 N ATOM 0 H ARG A 11 -1.238 8.663 -5.463 1.00 0.86 H new ATOM 0 HA ARG A 11 -1.439 11.088 -3.753 1.00 0.84 H new ATOM 0 HB2 ARG A 11 -1.356 10.952 -6.750 1.00 1.12 H new ATOM 0 HB3 ARG A 11 -1.989 12.301 -5.827 1.00 1.12 H new ATOM 0 HG2 ARG A 11 0.874 11.269 -5.713 1.00 1.20 H new ATOM 0 HG3 ARG A 11 0.337 12.691 -6.584 1.00 1.20 H new ATOM 0 HD2 ARG A 11 -0.499 13.601 -4.313 1.00 2.38 H new ATOM 0 HD3 ARG A 11 0.379 12.282 -3.566 1.00 2.38 H new ATOM 0 HE ARG A 11 2.153 13.609 -5.371 1.00 3.25 H new ATOM 0 HH11 ARG A 11 0.587 14.069 -2.215 1.00 6.17 H new ATOM 0 HH12 ARG A 11 1.767 15.270 -1.681 1.00 6.17 H new ATOM 0 HH21 ARG A 11 3.610 15.221 -4.706 1.00 5.85 H new ATOM 0 HH22 ARG A 11 3.478 15.921 -3.090 1.00 5.85 H new ATOM 171 N GLY A 12 -4.034 11.004 -4.387 1.00 0.86 N ATOM 172 CA GLY A 12 -5.469 10.761 -4.454 1.00 0.91 C ATOM 173 C GLY A 12 -6.118 10.461 -3.098 1.00 0.81 C ATOM 174 O GLY A 12 -7.340 10.336 -3.030 1.00 1.09 O ATOM 0 H GLY A 12 -3.794 11.943 -4.070 1.00 0.86 H new ATOM 0 HA2 GLY A 12 -5.954 11.633 -4.892 1.00 0.91 H new ATOM 0 HA3 GLY A 12 -5.654 9.923 -5.126 1.00 0.91 H new ATOM 178 N MET A 13 -5.352 10.364 -2.001 1.00 0.78 N ATOM 179 CA MET A 13 -5.902 10.053 -0.678 1.00 0.81 C ATOM 180 C MET A 13 -6.620 11.264 -0.053 1.00 1.13 C ATOM 181 O MET A 13 -6.331 11.657 1.075 1.00 2.06 O ATOM 182 CB MET A 13 -4.798 9.550 0.263 1.00 0.91 C ATOM 183 CG MET A 13 -4.096 8.272 -0.198 1.00 1.17 C ATOM 184 SD MET A 13 -3.167 7.435 1.122 1.00 1.38 S ATOM 185 CE MET A 13 -1.916 8.662 1.547 1.00 1.01 C ATOM 0 H MET A 13 -4.341 10.498 -2.008 1.00 0.78 H new ATOM 0 HA MET A 13 -6.641 9.264 -0.815 1.00 0.81 H new ATOM 0 HB2 MET A 13 -4.052 10.336 0.378 1.00 0.91 H new ATOM 0 HB3 MET A 13 -5.231 9.375 1.248 1.00 0.91 H new ATOM 0 HG2 MET A 13 -4.840 7.584 -0.600 1.00 1.17 H new ATOM 0 HG3 MET A 13 -3.414 8.516 -1.013 1.00 1.17 H new ATOM 0 HE1 MET A 13 -0.928 8.276 1.297 1.00 1.01 H new ATOM 0 HE2 MET A 13 -2.100 9.578 0.986 1.00 1.01 H new ATOM 0 HE3 MET A 13 -1.963 8.875 2.615 1.00 1.01 H new ATOM 195 N THR A 14 -7.578 11.861 -0.761 1.00 1.32 N ATOM 196 CA THR A 14 -8.139 13.164 -0.418 1.00 1.55 C ATOM 197 C THR A 14 -9.203 13.093 0.692 1.00 1.87 C ATOM 198 O THR A 14 -10.169 13.858 0.657 1.00 3.13 O ATOM 199 CB THR A 14 -8.647 13.843 -1.707 1.00 1.92 C ATOM 200 OG1 THR A 14 -9.093 15.154 -1.431 1.00 2.52 O ATOM 201 CG2 THR A 14 -9.774 13.072 -2.406 1.00 2.07 C ATOM 0 H THR A 14 -7.990 11.448 -1.598 1.00 1.32 H new ATOM 0 HA THR A 14 -7.352 13.781 0.014 1.00 1.55 H new ATOM 0 HB THR A 14 -7.795 13.860 -2.387 1.00 1.92 H new ATOM 0 HG1 THR A 14 -9.610 15.155 -0.599 1.00 2.52 H new ATOM 0 HG21 THR A 14 -10.080 13.609 -3.304 1.00 2.07 H new ATOM 0 HG22 THR A 14 -9.419 12.079 -2.681 1.00 2.07 H new ATOM 0 HG23 THR A 14 -10.625 12.980 -1.731 1.00 2.07 H new ATOM 209 N CYS A 15 -9.042 12.216 1.685 1.00 1.31 N ATOM 210 CA CYS A 15 -9.996 12.063 2.781 1.00 1.70 C ATOM 211 C CYS A 15 -9.402 11.144 3.847 1.00 1.33 C ATOM 212 O CYS A 15 -8.764 10.154 3.499 1.00 1.92 O ATOM 213 CB CYS A 15 -11.312 11.466 2.265 1.00 2.47 C ATOM 214 SG CYS A 15 -12.473 11.342 3.641 1.00 3.43 S ATOM 0 H CYS A 15 -8.240 11.589 1.750 1.00 1.31 H new ATOM 0 HA CYS A 15 -10.200 13.044 3.211 1.00 1.70 H new ATOM 0 HB2 CYS A 15 -11.727 12.093 1.476 1.00 2.47 H new ATOM 0 HB3 CYS A 15 -11.135 10.482 1.830 1.00 2.47 H new ATOM 0 HG CYS A 15 -13.595 10.839 3.218 1.00 3.43 H new ATOM 220 N ALA A 16 -9.611 11.450 5.134 1.00 0.97 N ATOM 221 CA ALA A 16 -9.183 10.609 6.249 1.00 0.95 C ATOM 222 C ALA A 16 -9.513 9.143 5.991 1.00 0.98 C ATOM 223 O ALA A 16 -8.657 8.272 6.138 1.00 1.94 O ATOM 224 CB ALA A 16 -9.874 11.054 7.539 1.00 1.17 C ATOM 0 H ALA A 16 -10.089 12.301 5.429 1.00 0.97 H new ATOM 0 HA ALA A 16 -8.103 10.716 6.349 1.00 0.95 H new ATOM 0 HB1 ALA A 16 -9.548 10.420 8.364 1.00 1.17 H new ATOM 0 HB2 ALA A 16 -9.613 12.091 7.753 1.00 1.17 H new ATOM 0 HB3 ALA A 16 -10.954 10.969 7.421 1.00 1.17 H new ATOM 230 N SER A 17 -10.757 8.879 5.587 1.00 0.57 N ATOM 231 CA SER A 17 -11.253 7.554 5.268 1.00 0.54 C ATOM 232 C SER A 17 -10.270 6.760 4.409 1.00 0.52 C ATOM 233 O SER A 17 -10.105 5.565 4.624 1.00 0.57 O ATOM 234 CB SER A 17 -12.605 7.705 4.570 1.00 0.68 C ATOM 235 OG SER A 17 -13.398 8.619 5.303 1.00 1.56 O ATOM 0 H SER A 17 -11.462 9.608 5.472 1.00 0.57 H new ATOM 0 HA SER A 17 -11.370 6.985 6.190 1.00 0.54 H new ATOM 0 HB2 SER A 17 -12.465 8.061 3.549 1.00 0.68 H new ATOM 0 HB3 SER A 17 -13.106 6.739 4.505 1.00 0.68 H new ATOM 0 HG SER A 17 -13.323 9.511 4.903 1.00 1.56 H new ATOM 241 N CYS A 18 -9.597 7.406 3.453 1.00 0.54 N ATOM 242 CA CYS A 18 -8.663 6.729 2.563 1.00 0.57 C ATOM 243 C CYS A 18 -7.604 5.966 3.361 1.00 0.57 C ATOM 244 O CYS A 18 -7.254 4.848 2.991 1.00 0.65 O ATOM 245 CB CYS A 18 -8.023 7.721 1.587 1.00 0.62 C ATOM 246 SG CYS A 18 -9.317 8.447 0.544 1.00 0.80 S ATOM 0 H CYS A 18 -9.686 8.407 3.278 1.00 0.54 H new ATOM 0 HA CYS A 18 -9.220 6.000 1.975 1.00 0.57 H new ATOM 0 HB2 CYS A 18 -7.499 8.504 2.136 1.00 0.62 H new ATOM 0 HB3 CYS A 18 -7.282 7.215 0.969 1.00 0.62 H new ATOM 0 HG CYS A 18 -9.341 7.838 -0.604 1.00 0.80 H new ATOM 252 N VAL A 19 -7.136 6.533 4.481 1.00 0.54 N ATOM 253 CA VAL A 19 -6.164 5.896 5.355 1.00 0.57 C ATOM 254 C VAL A 19 -6.653 4.496 5.727 1.00 0.66 C ATOM 255 O VAL A 19 -6.038 3.488 5.370 1.00 0.74 O ATOM 256 CB VAL A 19 -5.917 6.763 6.608 1.00 0.61 C ATOM 257 CG1 VAL A 19 -4.947 6.112 7.602 1.00 0.75 C ATOM 258 CG2 VAL A 19 -5.360 8.138 6.218 1.00 0.61 C ATOM 0 H VAL A 19 -7.430 7.456 4.802 1.00 0.54 H new ATOM 0 HA VAL A 19 -5.212 5.799 4.833 1.00 0.57 H new ATOM 0 HB VAL A 19 -6.887 6.867 7.093 1.00 0.61 H new ATOM 0 HG11 VAL A 19 -4.813 6.768 8.462 1.00 0.75 H new ATOM 0 HG12 VAL A 19 -5.353 5.157 7.934 1.00 0.75 H new ATOM 0 HG13 VAL A 19 -3.985 5.948 7.117 1.00 0.75 H new ATOM 0 HG21 VAL A 19 -5.194 8.732 7.117 1.00 0.61 H new ATOM 0 HG22 VAL A 19 -4.416 8.011 5.687 1.00 0.61 H new ATOM 0 HG23 VAL A 19 -6.074 8.650 5.572 1.00 0.61 H new ATOM 268 N HIS A 20 -7.784 4.442 6.437 1.00 0.71 N ATOM 269 CA HIS A 20 -8.318 3.194 6.935 1.00 0.86 C ATOM 270 C HIS A 20 -8.770 2.323 5.764 1.00 0.89 C ATOM 271 O HIS A 20 -8.740 1.100 5.869 1.00 1.02 O ATOM 272 CB HIS A 20 -9.390 3.473 8.005 1.00 0.92 C ATOM 273 CG HIS A 20 -10.792 2.998 7.718 1.00 0.95 C ATOM 274 ND1 HIS A 20 -11.546 3.255 6.604 1.00 1.30 N flip ATOM 275 CD2 HIS A 20 -11.582 2.294 8.595 1.00 0.83 C flip ATOM 276 CE1 HIS A 20 -12.806 2.687 6.791 1.00 1.35 C flip ATOM 277 NE2 HIS A 20 -12.777 2.127 8.009 1.00 1.06 N flip ATOM 0 H HIS A 20 -8.343 5.261 6.675 1.00 0.71 H new ATOM 0 HA HIS A 20 -7.552 2.611 7.447 1.00 0.86 H new ATOM 0 HB2 HIS A 20 -9.063 3.015 8.938 1.00 0.92 H new ATOM 0 HB3 HIS A 20 -9.426 4.549 8.174 1.00 0.92 H new ATOM 0 HD2 HIS A 20 -11.294 1.941 9.574 1.00 0.83 H new ATOM 0 HE1 HIS A 20 -13.634 2.696 6.098 1.00 1.35 H new ATOM 0 HE2 HIS A 20 -13.563 1.637 8.435 1.00 1.06 H new ATOM 285 N LYS A 21 -9.189 2.935 4.646 1.00 0.82 N ATOM 286 CA LYS A 21 -9.652 2.168 3.508 1.00 0.96 C ATOM 287 C LYS A 21 -8.484 1.337 3.024 1.00 0.99 C ATOM 288 O LYS A 21 -8.606 0.125 2.920 1.00 1.34 O ATOM 289 CB LYS A 21 -10.202 3.028 2.357 1.00 0.94 C ATOM 290 CG LYS A 21 -11.331 2.317 1.581 1.00 1.32 C ATOM 291 CD LYS A 21 -10.984 0.866 1.193 1.00 2.15 C ATOM 292 CE LYS A 21 -11.989 0.234 0.218 1.00 2.75 C ATOM 293 NZ LYS A 21 -11.810 -1.235 0.096 1.00 4.56 N ATOM 0 H LYS A 21 -9.212 3.947 4.518 1.00 0.82 H new ATOM 0 HA LYS A 21 -10.491 1.552 3.831 1.00 0.96 H new ATOM 0 HB2 LYS A 21 -10.577 3.970 2.757 1.00 0.94 H new ATOM 0 HB3 LYS A 21 -9.392 3.274 1.671 1.00 0.94 H new ATOM 0 HG2 LYS A 21 -12.236 2.317 2.189 1.00 1.32 H new ATOM 0 HG3 LYS A 21 -11.554 2.884 0.677 1.00 1.32 H new ATOM 0 HD2 LYS A 21 -9.992 0.846 0.742 1.00 2.15 H new ATOM 0 HD3 LYS A 21 -10.936 0.259 2.097 1.00 2.15 H new ATOM 0 HE2 LYS A 21 -13.003 0.447 0.556 1.00 2.75 H new ATOM 0 HE3 LYS A 21 -11.877 0.694 -0.764 1.00 2.75 H new ATOM 0 HZ1 LYS A 21 -12.402 -1.594 -0.680 1.00 4.56 H new ATOM 0 HZ2 LYS A 21 -10.812 -1.448 -0.104 1.00 4.56 H new ATOM 0 HZ3 LYS A 21 -12.090 -1.694 0.986 1.00 4.56 H new ATOM 307 N ILE A 22 -7.363 1.986 2.717 1.00 0.63 N ATOM 308 CA ILE A 22 -6.232 1.315 2.102 1.00 0.48 C ATOM 309 C ILE A 22 -5.789 0.226 3.056 1.00 0.46 C ATOM 310 O ILE A 22 -5.748 -0.939 2.672 1.00 0.49 O ATOM 311 CB ILE A 22 -5.088 2.289 1.784 1.00 0.41 C ATOM 312 CG1 ILE A 22 -5.540 3.322 0.758 1.00 0.42 C ATOM 313 CG2 ILE A 22 -3.926 1.508 1.170 1.00 0.46 C ATOM 314 CD1 ILE A 22 -4.650 4.565 0.743 1.00 0.69 C ATOM 0 H ILE A 22 -7.218 2.981 2.887 1.00 0.63 H new ATOM 0 HA ILE A 22 -6.525 0.888 1.143 1.00 0.48 H new ATOM 0 HB ILE A 22 -4.789 2.786 2.707 1.00 0.41 H new ATOM 0 HG12 ILE A 22 -5.540 2.868 -0.233 1.00 0.42 H new ATOM 0 HG13 ILE A 22 -6.567 3.618 0.974 1.00 0.42 H new ATOM 0 HG21 ILE A 22 -3.109 2.192 0.941 1.00 0.46 H new ATOM 0 HG22 ILE A 22 -3.581 0.754 1.877 1.00 0.46 H new ATOM 0 HG23 ILE A 22 -4.259 1.021 0.254 1.00 0.46 H new ATOM 0 HD11 ILE A 22 -5.018 5.267 -0.006 1.00 0.69 H new ATOM 0 HD12 ILE A 22 -4.670 5.038 1.725 1.00 0.69 H new ATOM 0 HD13 ILE A 22 -3.627 4.277 0.499 1.00 0.69 H new ATOM 326 N GLU A 23 -5.537 0.622 4.307 1.00 0.47 N ATOM 327 CA GLU A 23 -5.208 -0.288 5.386 1.00 0.47 C ATOM 328 C GLU A 23 -6.096 -1.532 5.303 1.00 0.41 C ATOM 329 O GLU A 23 -5.629 -2.625 4.982 1.00 0.40 O ATOM 330 CB GLU A 23 -5.358 0.464 6.718 1.00 0.55 C ATOM 331 CG GLU A 23 -4.514 -0.194 7.809 1.00 1.20 C ATOM 332 CD GLU A 23 -5.128 -1.514 8.262 1.00 3.10 C ATOM 333 OE1 GLU A 23 -6.083 -1.441 9.063 1.00 4.19 O ATOM 334 OE2 GLU A 23 -4.683 -2.564 7.750 1.00 4.29 O ATOM 0 H GLU A 23 -5.558 1.601 4.594 1.00 0.47 H new ATOM 0 HA GLU A 23 -4.178 -0.635 5.309 1.00 0.47 H new ATOM 0 HB2 GLU A 23 -5.052 1.502 6.591 1.00 0.55 H new ATOM 0 HB3 GLU A 23 -6.406 0.475 7.019 1.00 0.55 H new ATOM 0 HG2 GLU A 23 -3.505 -0.369 7.436 1.00 1.20 H new ATOM 0 HG3 GLU A 23 -4.426 0.480 8.661 1.00 1.20 H new ATOM 341 N SER A 24 -7.400 -1.323 5.487 1.00 0.43 N ATOM 342 CA SER A 24 -8.382 -2.392 5.580 1.00 0.46 C ATOM 343 C SER A 24 -8.354 -3.248 4.314 1.00 0.47 C ATOM 344 O SER A 24 -8.393 -4.474 4.369 1.00 0.61 O ATOM 345 CB SER A 24 -9.766 -1.778 5.825 1.00 0.53 C ATOM 346 OG SER A 24 -10.760 -2.778 5.940 1.00 1.41 O ATOM 0 H SER A 24 -7.805 -0.391 5.576 1.00 0.43 H new ATOM 0 HA SER A 24 -8.143 -3.049 6.416 1.00 0.46 H new ATOM 0 HB2 SER A 24 -9.744 -1.178 6.735 1.00 0.53 H new ATOM 0 HB3 SER A 24 -10.018 -1.105 5.005 1.00 0.53 H new ATOM 0 HG SER A 24 -11.631 -2.357 6.097 1.00 1.41 H new ATOM 352 N SER A 25 -8.286 -2.589 3.158 1.00 0.44 N ATOM 353 CA SER A 25 -8.325 -3.221 1.853 1.00 0.47 C ATOM 354 C SER A 25 -7.035 -3.999 1.578 1.00 0.47 C ATOM 355 O SER A 25 -7.052 -4.898 0.739 1.00 0.75 O ATOM 356 CB SER A 25 -8.619 -2.160 0.781 1.00 0.54 C ATOM 357 OG SER A 25 -9.523 -2.637 -0.204 1.00 1.01 O ATOM 0 H SER A 25 -8.200 -1.574 3.109 1.00 0.44 H new ATOM 0 HA SER A 25 -9.130 -3.955 1.826 1.00 0.47 H new ATOM 0 HB2 SER A 25 -9.035 -1.271 1.255 1.00 0.54 H new ATOM 0 HB3 SER A 25 -7.687 -1.860 0.303 1.00 0.54 H new ATOM 0 HG SER A 25 -9.048 -2.759 -1.052 1.00 1.01 H new ATOM 363 N LEU A 26 -5.938 -3.683 2.277 1.00 0.42 N ATOM 364 CA LEU A 26 -4.735 -4.498 2.268 1.00 0.47 C ATOM 365 C LEU A 26 -4.863 -5.652 3.256 1.00 0.46 C ATOM 366 O LEU A 26 -4.729 -6.798 2.843 1.00 0.55 O ATOM 367 CB LEU A 26 -3.483 -3.674 2.582 1.00 0.62 C ATOM 368 CG LEU A 26 -2.772 -3.063 1.365 1.00 0.84 C ATOM 369 CD1 LEU A 26 -2.485 -4.014 0.206 1.00 1.77 C ATOM 370 CD2 LEU A 26 -3.516 -1.853 0.818 1.00 2.04 C ATOM 0 H LEU A 26 -5.868 -2.851 2.863 1.00 0.42 H new ATOM 0 HA LEU A 26 -4.624 -4.899 1.260 1.00 0.47 H new ATOM 0 HB2 LEU A 26 -3.760 -2.868 3.261 1.00 0.62 H new ATOM 0 HB3 LEU A 26 -2.775 -4.309 3.114 1.00 0.62 H new ATOM 0 HG LEU A 26 -1.805 -2.777 1.778 1.00 0.84 H new ATOM 0 HD11 LEU A 26 -1.982 -3.471 -0.594 1.00 1.77 H new ATOM 0 HD12 LEU A 26 -1.845 -4.826 0.552 1.00 1.77 H new ATOM 0 HD13 LEU A 26 -3.423 -4.425 -0.168 1.00 1.77 H new ATOM 0 HD21 LEU A 26 -2.978 -1.453 -0.041 1.00 2.04 H new ATOM 0 HD22 LEU A 26 -4.519 -2.150 0.512 1.00 2.04 H new ATOM 0 HD23 LEU A 26 -3.585 -1.088 1.591 1.00 2.04 H new ATOM 382 N THR A 27 -5.098 -5.385 4.545 1.00 0.49 N ATOM 383 CA THR A 27 -5.179 -6.435 5.561 1.00 0.54 C ATOM 384 C THR A 27 -6.243 -7.478 5.209 1.00 0.65 C ATOM 385 O THR A 27 -6.084 -8.659 5.512 1.00 1.61 O ATOM 386 CB THR A 27 -5.398 -5.819 6.949 1.00 0.65 C ATOM 387 OG1 THR A 27 -6.149 -4.626 6.856 1.00 0.92 O ATOM 388 CG2 THR A 27 -4.052 -5.520 7.617 1.00 1.05 C ATOM 0 H THR A 27 -5.236 -4.442 4.909 1.00 0.49 H new ATOM 0 HA THR A 27 -4.228 -6.967 5.585 1.00 0.54 H new ATOM 0 HB THR A 27 -5.951 -6.539 7.552 1.00 0.65 H new ATOM 0 HG1 THR A 27 -5.618 -3.877 7.199 1.00 0.92 H new ATOM 0 HG21 THR A 27 -4.223 -5.083 8.601 1.00 1.05 H new ATOM 0 HG22 THR A 27 -3.486 -6.445 7.724 1.00 1.05 H new ATOM 0 HG23 THR A 27 -3.488 -4.819 7.002 1.00 1.05 H new ATOM 396 N LYS A 28 -7.302 -7.044 4.525 1.00 1.45 N ATOM 397 CA LYS A 28 -8.237 -7.884 3.794 1.00 1.63 C ATOM 398 C LYS A 28 -7.553 -9.072 3.100 1.00 1.55 C ATOM 399 O LYS A 28 -8.047 -10.194 3.216 1.00 1.89 O ATOM 400 CB LYS A 28 -8.981 -6.980 2.796 1.00 1.72 C ATOM 401 CG LYS A 28 -9.566 -7.647 1.548 1.00 1.33 C ATOM 402 CD LYS A 28 -10.685 -8.640 1.892 1.00 2.13 C ATOM 403 CE LYS A 28 -11.124 -9.392 0.628 1.00 2.72 C ATOM 404 NZ LYS A 28 -12.144 -10.419 0.924 1.00 4.62 N ATOM 0 H LYS A 28 -7.537 -6.053 4.466 1.00 1.45 H new ATOM 0 HA LYS A 28 -8.941 -8.341 4.490 1.00 1.63 H new ATOM 0 HB2 LYS A 28 -9.795 -6.487 3.328 1.00 1.72 H new ATOM 0 HB3 LYS A 28 -8.294 -6.199 2.471 1.00 1.72 H new ATOM 0 HG2 LYS A 28 -9.956 -6.881 0.878 1.00 1.33 H new ATOM 0 HG3 LYS A 28 -8.773 -8.167 1.011 1.00 1.33 H new ATOM 0 HD2 LYS A 28 -10.336 -9.348 2.644 1.00 2.13 H new ATOM 0 HD3 LYS A 28 -11.534 -8.109 2.323 1.00 2.13 H new ATOM 0 HE2 LYS A 28 -11.523 -8.682 -0.096 1.00 2.72 H new ATOM 0 HE3 LYS A 28 -10.257 -9.864 0.167 1.00 2.72 H new ATOM 0 HZ1 LYS A 28 -12.414 -10.904 0.044 1.00 4.62 H new ATOM 0 HZ2 LYS A 28 -11.755 -11.111 1.596 1.00 4.62 H new ATOM 0 HZ3 LYS A 28 -12.982 -9.966 1.340 1.00 4.62 H new ATOM 418 N HIS A 29 -6.498 -8.839 2.307 1.00 1.27 N ATOM 419 CA HIS A 29 -5.918 -9.890 1.479 1.00 1.49 C ATOM 420 C HIS A 29 -4.713 -10.535 2.164 1.00 1.38 C ATOM 421 O HIS A 29 -3.901 -9.860 2.786 1.00 2.14 O ATOM 422 CB HIS A 29 -5.609 -9.371 0.069 1.00 1.90 C ATOM 423 CG HIS A 29 -4.413 -8.471 -0.077 1.00 1.07 C ATOM 424 ND1 HIS A 29 -3.120 -8.908 -0.256 1.00 2.40 N ATOM 425 CD2 HIS A 29 -4.448 -7.142 -0.407 1.00 1.00 C ATOM 426 CE1 HIS A 29 -2.389 -7.862 -0.673 1.00 3.37 C ATOM 427 NE2 HIS A 29 -3.155 -6.766 -0.773 1.00 2.75 N ATOM 0 H HIS A 29 -6.035 -7.934 2.226 1.00 1.27 H new ATOM 0 HA HIS A 29 -6.655 -10.684 1.359 1.00 1.49 H new ATOM 0 HB2 HIS A 29 -5.469 -10.231 -0.586 1.00 1.90 H new ATOM 0 HB3 HIS A 29 -6.485 -8.833 -0.294 1.00 1.90 H new ATOM 0 HD1 HIS A 29 -2.779 -9.856 -0.100 1.00 2.40 H new ATOM 0 HD2 HIS A 29 -5.318 -6.502 -0.387 1.00 1.00 H new ATOM 0 HE1 HIS A 29 -1.333 -7.898 -0.896 1.00 3.37 H new ATOM 435 N ARG A 30 -4.587 -11.860 2.029 1.00 1.30 N ATOM 436 CA ARG A 30 -3.414 -12.584 2.503 1.00 1.21 C ATOM 437 C ARG A 30 -2.189 -12.183 1.673 1.00 1.42 C ATOM 438 O ARG A 30 -2.288 -11.376 0.749 1.00 2.97 O ATOM 439 CB ARG A 30 -3.678 -14.097 2.440 1.00 1.67 C ATOM 440 CG ARG A 30 -4.830 -14.498 3.369 1.00 2.69 C ATOM 441 CD ARG A 30 -5.025 -16.019 3.357 1.00 3.17 C ATOM 442 NE ARG A 30 -6.108 -16.418 4.271 1.00 4.34 N ATOM 443 CZ ARG A 30 -6.511 -17.682 4.479 1.00 5.16 C ATOM 444 NH1 ARG A 30 -5.917 -18.685 3.822 1.00 5.06 N ATOM 445 NH2 ARG A 30 -7.502 -17.937 5.341 1.00 6.54 N ATOM 0 H ARG A 30 -5.292 -12.452 1.591 1.00 1.30 H new ATOM 0 HA ARG A 30 -3.211 -12.325 3.542 1.00 1.21 H new ATOM 0 HB2 ARG A 30 -3.916 -14.385 1.416 1.00 1.67 H new ATOM 0 HB3 ARG A 30 -2.775 -14.638 2.722 1.00 1.67 H new ATOM 0 HG2 ARG A 30 -4.621 -14.160 4.384 1.00 2.69 H new ATOM 0 HG3 ARG A 30 -5.749 -14.005 3.052 1.00 2.69 H new ATOM 0 HD2 ARG A 30 -5.257 -16.352 2.345 1.00 3.17 H new ATOM 0 HD3 ARG A 30 -4.097 -16.511 3.650 1.00 3.17 H new ATOM 0 HE ARG A 30 -6.588 -15.679 4.785 1.00 4.34 H new ATOM 0 HH11 ARG A 30 -5.161 -18.488 3.166 1.00 5.06 H new ATOM 0 HH12 ARG A 30 -6.220 -19.646 3.977 1.00 5.06 H new ATOM 0 HH21 ARG A 30 -7.953 -17.171 5.841 1.00 6.54 H new ATOM 0 HH22 ARG A 30 -7.807 -18.898 5.498 1.00 6.54 H new ATOM 459 N GLY A 31 -1.010 -12.708 2.010 1.00 0.76 N ATOM 460 CA GLY A 31 0.226 -12.305 1.353 1.00 1.23 C ATOM 461 C GLY A 31 0.747 -11.013 1.973 1.00 1.19 C ATOM 462 O GLY A 31 1.915 -10.936 2.355 1.00 1.39 O ATOM 0 H GLY A 31 -0.889 -13.414 2.736 1.00 0.76 H new ATOM 0 HA2 GLY A 31 0.973 -13.092 1.451 1.00 1.23 H new ATOM 0 HA3 GLY A 31 0.051 -12.162 0.287 1.00 1.23 H new ATOM 466 N ILE A 32 -0.127 -10.014 2.125 1.00 1.20 N ATOM 467 CA ILE A 32 0.093 -8.945 3.080 1.00 1.01 C ATOM 468 C ILE A 32 0.243 -9.559 4.477 1.00 1.16 C ATOM 469 O ILE A 32 -0.448 -10.520 4.813 1.00 1.62 O ATOM 470 CB ILE A 32 -1.038 -7.895 2.991 1.00 0.98 C ATOM 471 CG1 ILE A 32 -0.481 -6.535 2.557 1.00 1.18 C ATOM 472 CG2 ILE A 32 -1.861 -7.706 4.277 1.00 1.67 C ATOM 473 CD1 ILE A 32 0.540 -5.989 3.548 1.00 1.83 C ATOM 0 H ILE A 32 -0.993 -9.931 1.593 1.00 1.20 H new ATOM 0 HA ILE A 32 1.014 -8.408 2.851 1.00 1.01 H new ATOM 0 HB ILE A 32 -1.722 -8.300 2.245 1.00 0.98 H new ATOM 0 HG12 ILE A 32 -0.017 -6.631 1.575 1.00 1.18 H new ATOM 0 HG13 ILE A 32 -1.301 -5.824 2.454 1.00 1.18 H new ATOM 0 HG21 ILE A 32 -2.628 -6.949 4.110 1.00 1.67 H new ATOM 0 HG22 ILE A 32 -2.335 -8.649 4.547 1.00 1.67 H new ATOM 0 HG23 ILE A 32 -1.204 -7.385 5.086 1.00 1.67 H new ATOM 0 HD11 ILE A 32 0.907 -5.024 3.198 1.00 1.83 H new ATOM 0 HD12 ILE A 32 0.070 -5.867 4.524 1.00 1.83 H new ATOM 0 HD13 ILE A 32 1.374 -6.685 3.632 1.00 1.83 H new ATOM 485 N LEU A 33 1.147 -8.992 5.275 1.00 1.03 N ATOM 486 CA LEU A 33 1.344 -9.305 6.682 1.00 1.22 C ATOM 487 C LEU A 33 0.847 -8.122 7.520 1.00 1.11 C ATOM 488 O LEU A 33 0.138 -8.321 8.504 1.00 1.24 O ATOM 489 CB LEU A 33 2.826 -9.608 6.960 1.00 1.48 C ATOM 490 CG LEU A 33 3.432 -10.671 6.024 1.00 2.56 C ATOM 491 CD1 LEU A 33 4.941 -10.765 6.264 1.00 3.41 C ATOM 492 CD2 LEU A 33 2.789 -12.048 6.232 1.00 3.18 C ATOM 0 H LEU A 33 1.787 -8.272 4.940 1.00 1.03 H new ATOM 0 HA LEU A 33 0.776 -10.195 6.952 1.00 1.22 H new ATOM 0 HB2 LEU A 33 3.399 -8.686 6.866 1.00 1.48 H new ATOM 0 HB3 LEU A 33 2.931 -9.944 7.992 1.00 1.48 H new ATOM 0 HG LEU A 33 3.234 -10.364 4.997 1.00 2.56 H new ATOM 0 HD11 LEU A 33 5.369 -11.517 5.601 1.00 3.41 H new ATOM 0 HD12 LEU A 33 5.403 -9.799 6.061 1.00 3.41 H new ATOM 0 HD13 LEU A 33 5.128 -11.046 7.300 1.00 3.41 H new ATOM 0 HD21 LEU A 33 3.245 -12.769 5.553 1.00 3.18 H new ATOM 0 HD22 LEU A 33 2.945 -12.371 7.261 1.00 3.18 H new ATOM 0 HD23 LEU A 33 1.720 -11.985 6.030 1.00 3.18 H new ATOM 504 N TYR A 34 1.205 -6.892 7.132 1.00 0.92 N ATOM 505 CA TYR A 34 0.799 -5.671 7.816 1.00 0.86 C ATOM 506 C TYR A 34 0.826 -4.492 6.833 1.00 0.71 C ATOM 507 O TYR A 34 1.535 -4.538 5.831 1.00 0.90 O ATOM 508 CB TYR A 34 1.733 -5.447 9.014 1.00 0.94 C ATOM 509 CG TYR A 34 1.444 -4.191 9.807 1.00 0.97 C ATOM 510 CD1 TYR A 34 0.334 -4.140 10.670 1.00 2.07 C ATOM 511 CD2 TYR A 34 2.246 -3.050 9.626 1.00 1.63 C ATOM 512 CE1 TYR A 34 0.023 -2.947 11.344 1.00 2.16 C ATOM 513 CE2 TYR A 34 1.936 -1.862 10.305 1.00 1.62 C ATOM 514 CZ TYR A 34 0.809 -1.801 11.142 1.00 1.12 C ATOM 515 OH TYR A 34 0.459 -0.624 11.731 1.00 1.27 O ATOM 0 H TYR A 34 1.796 -6.721 6.318 1.00 0.92 H new ATOM 0 HA TYR A 34 -0.222 -5.757 8.188 1.00 0.86 H new ATOM 0 HB2 TYR A 34 1.662 -6.307 9.680 1.00 0.94 H new ATOM 0 HB3 TYR A 34 2.761 -5.406 8.655 1.00 0.94 H new ATOM 0 HD1 TYR A 34 -0.279 -5.018 10.814 1.00 2.07 H new ATOM 0 HD2 TYR A 34 3.099 -3.088 8.965 1.00 1.63 H new ATOM 0 HE1 TYR A 34 -0.821 -2.911 12.017 1.00 2.16 H new ATOM 0 HE2 TYR A 34 2.565 -0.992 10.184 1.00 1.62 H new ATOM 0 HH TYR A 34 0.704 0.121 11.144 1.00 1.27 H new ATOM 525 N CYS A 35 0.055 -3.435 7.097 1.00 0.61 N ATOM 526 CA CYS A 35 -0.021 -2.254 6.244 1.00 0.56 C ATOM 527 C CYS A 35 -0.004 -1.018 7.130 1.00 0.58 C ATOM 528 O CYS A 35 -0.543 -1.059 8.236 1.00 0.83 O ATOM 529 CB CYS A 35 -1.326 -2.284 5.444 1.00 0.64 C ATOM 530 SG CYS A 35 -1.405 -0.869 4.331 1.00 1.99 S ATOM 0 H CYS A 35 -0.542 -3.378 7.922 1.00 0.61 H new ATOM 0 HA CYS A 35 0.823 -2.236 5.554 1.00 0.56 H new ATOM 0 HB2 CYS A 35 -1.390 -3.210 4.872 1.00 0.64 H new ATOM 0 HB3 CYS A 35 -2.178 -2.270 6.123 1.00 0.64 H new ATOM 0 HG CYS A 35 -0.205 -0.415 4.120 1.00 1.99 H new ATOM 536 N SER A 36 0.596 0.082 6.673 1.00 0.48 N ATOM 537 CA SER A 36 0.340 1.395 7.246 1.00 0.49 C ATOM 538 C SER A 36 0.532 2.447 6.166 1.00 0.48 C ATOM 539 O SER A 36 1.627 2.584 5.618 1.00 0.59 O ATOM 540 CB SER A 36 1.255 1.684 8.440 1.00 0.67 C ATOM 541 OG SER A 36 0.884 0.897 9.552 1.00 1.75 O ATOM 0 H SER A 36 1.265 0.084 5.903 1.00 0.48 H new ATOM 0 HA SER A 36 -0.685 1.419 7.616 1.00 0.49 H new ATOM 0 HB2 SER A 36 2.291 1.477 8.170 1.00 0.67 H new ATOM 0 HB3 SER A 36 1.199 2.741 8.701 1.00 0.67 H new ATOM 0 HG SER A 36 1.213 -0.018 9.430 1.00 1.75 H new ATOM 547 N VAL A 37 -0.535 3.192 5.874 1.00 0.46 N ATOM 548 CA VAL A 37 -0.488 4.366 5.027 1.00 0.50 C ATOM 549 C VAL A 37 -0.493 5.631 5.887 1.00 0.61 C ATOM 550 O VAL A 37 -0.958 5.597 7.026 1.00 0.83 O ATOM 551 CB VAL A 37 -1.653 4.305 4.030 1.00 0.59 C ATOM 552 CG1 VAL A 37 -1.692 2.977 3.271 1.00 1.68 C ATOM 553 CG2 VAL A 37 -3.006 4.419 4.725 1.00 1.64 C ATOM 0 H VAL A 37 -1.468 2.986 6.230 1.00 0.46 H new ATOM 0 HA VAL A 37 0.436 4.393 4.449 1.00 0.50 H new ATOM 0 HB VAL A 37 -1.483 5.142 3.353 1.00 0.59 H new ATOM 0 HG11 VAL A 37 -2.533 2.979 2.577 1.00 1.68 H new ATOM 0 HG12 VAL A 37 -0.763 2.848 2.716 1.00 1.68 H new ATOM 0 HG13 VAL A 37 -1.808 2.157 3.979 1.00 1.68 H new ATOM 0 HG21 VAL A 37 -3.802 4.371 3.982 1.00 1.64 H new ATOM 0 HG22 VAL A 37 -3.121 3.599 5.434 1.00 1.64 H new ATOM 0 HG23 VAL A 37 -3.063 5.369 5.257 1.00 1.64 H new ATOM 563 N ALA A 38 0.032 6.742 5.357 1.00 0.63 N ATOM 564 CA ALA A 38 0.077 8.016 6.058 1.00 0.82 C ATOM 565 C ALA A 38 -0.100 9.178 5.089 1.00 0.76 C ATOM 566 O ALA A 38 0.550 9.235 4.044 1.00 0.65 O ATOM 567 CB ALA A 38 1.388 8.175 6.821 1.00 1.01 C ATOM 0 H ALA A 38 0.439 6.775 4.422 1.00 0.63 H new ATOM 0 HA ALA A 38 -0.747 8.026 6.772 1.00 0.82 H new ATOM 0 HB1 ALA A 38 1.395 9.136 7.336 1.00 1.01 H new ATOM 0 HB2 ALA A 38 1.484 7.371 7.551 1.00 1.01 H new ATOM 0 HB3 ALA A 38 2.223 8.132 6.122 1.00 1.01 H new ATOM 573 N LEU A 39 -0.959 10.121 5.480 1.00 0.94 N ATOM 574 CA LEU A 39 -1.300 11.300 4.697 1.00 1.06 C ATOM 575 C LEU A 39 -0.093 12.228 4.592 1.00 1.13 C ATOM 576 O LEU A 39 0.246 12.681 3.504 1.00 1.12 O ATOM 577 CB LEU A 39 -2.479 12.053 5.334 1.00 1.56 C ATOM 578 CG LEU A 39 -3.781 11.241 5.441 1.00 1.20 C ATOM 579 CD1 LEU A 39 -4.850 12.099 6.126 1.00 2.20 C ATOM 580 CD2 LEU A 39 -4.298 10.795 4.068 1.00 2.35 C ATOM 0 H LEU A 39 -1.447 10.080 6.375 1.00 0.94 H new ATOM 0 HA LEU A 39 -1.592 10.974 3.699 1.00 1.06 H new ATOM 0 HB2 LEU A 39 -2.187 12.378 6.333 1.00 1.56 H new ATOM 0 HB3 LEU A 39 -2.675 12.952 4.750 1.00 1.56 H new ATOM 0 HG LEU A 39 -3.569 10.344 6.024 1.00 1.20 H new ATOM 0 HD11 LEU A 39 -5.777 11.531 6.206 1.00 2.20 H new ATOM 0 HD12 LEU A 39 -4.509 12.378 7.123 1.00 2.20 H new ATOM 0 HD13 LEU A 39 -5.026 12.999 5.537 1.00 2.20 H new ATOM 0 HD21 LEU A 39 -5.219 10.225 4.193 1.00 2.35 H new ATOM 0 HD22 LEU A 39 -4.495 11.672 3.451 1.00 2.35 H new ATOM 0 HD23 LEU A 39 -3.548 10.171 3.582 1.00 2.35 H new ATOM 592 N ALA A 40 0.567 12.498 5.723 1.00 1.27 N ATOM 593 CA ALA A 40 1.612 13.511 5.820 1.00 1.42 C ATOM 594 C ALA A 40 2.736 13.249 4.820 1.00 1.24 C ATOM 595 O ALA A 40 3.217 14.166 4.161 1.00 1.35 O ATOM 596 CB ALA A 40 2.153 13.550 7.253 1.00 1.69 C ATOM 0 H ALA A 40 0.386 12.013 6.602 1.00 1.27 H new ATOM 0 HA ALA A 40 1.182 14.482 5.573 1.00 1.42 H new ATOM 0 HB1 ALA A 40 2.934 14.307 7.327 1.00 1.69 H new ATOM 0 HB2 ALA A 40 1.344 13.796 7.941 1.00 1.69 H new ATOM 0 HB3 ALA A 40 2.566 12.575 7.512 1.00 1.69 H new ATOM 602 N THR A 41 3.145 11.982 4.710 1.00 1.09 N ATOM 603 CA THR A 41 4.180 11.555 3.772 1.00 1.02 C ATOM 604 C THR A 41 3.549 11.056 2.460 1.00 0.80 C ATOM 605 O THR A 41 4.257 10.664 1.535 1.00 0.81 O ATOM 606 CB THR A 41 5.048 10.492 4.467 1.00 1.27 C ATOM 607 OG1 THR A 41 5.421 10.938 5.758 1.00 1.91 O ATOM 608 CG2 THR A 41 6.359 10.215 3.722 1.00 2.57 C ATOM 0 H THR A 41 2.764 11.222 5.273 1.00 1.09 H new ATOM 0 HA THR A 41 4.821 12.391 3.493 1.00 1.02 H new ATOM 0 HB THR A 41 4.440 9.587 4.495 1.00 1.27 H new ATOM 0 HG1 THR A 41 5.972 10.255 6.194 1.00 1.91 H new ATOM 0 HG21 THR A 41 6.929 9.457 4.259 1.00 2.57 H new ATOM 0 HG22 THR A 41 6.138 9.858 2.716 1.00 2.57 H new ATOM 0 HG23 THR A 41 6.943 11.133 3.660 1.00 2.57 H new ATOM 616 N ASN A 42 2.215 11.064 2.370 1.00 0.74 N ATOM 617 CA ASN A 42 1.432 10.622 1.229 1.00 0.68 C ATOM 618 C ASN A 42 1.803 9.191 0.811 1.00 0.55 C ATOM 619 O ASN A 42 1.767 8.848 -0.374 1.00 0.72 O ATOM 620 CB ASN A 42 1.562 11.659 0.101 1.00 0.86 C ATOM 621 CG ASN A 42 0.309 11.729 -0.761 1.00 1.45 C ATOM 622 OD1 ASN A 42 -0.117 12.805 -1.173 1.00 2.13 O ATOM 623 ND2 ASN A 42 -0.290 10.587 -1.054 1.00 2.99 N ATOM 0 H ASN A 42 1.629 11.398 3.135 1.00 0.74 H new ATOM 0 HA ASN A 42 0.377 10.565 1.498 1.00 0.68 H new ATOM 0 HB2 ASN A 42 1.760 12.640 0.532 1.00 0.86 H new ATOM 0 HB3 ASN A 42 2.418 11.408 -0.525 1.00 0.86 H new ATOM 0 HD21 ASN A 42 -1.128 10.585 -1.636 1.00 2.99 H new ATOM 0 HD22 ASN A 42 0.086 9.708 -0.698 1.00 2.99 H new ATOM 630 N LYS A 43 2.148 8.355 1.795 1.00 0.56 N ATOM 631 CA LYS A 43 2.809 7.077 1.571 1.00 0.57 C ATOM 632 C LYS A 43 1.875 5.927 1.929 1.00 0.54 C ATOM 633 O LYS A 43 1.040 6.071 2.820 1.00 0.62 O ATOM 634 CB LYS A 43 4.101 7.007 2.404 1.00 0.72 C ATOM 635 CG LYS A 43 5.092 5.996 1.806 1.00 1.33 C ATOM 636 CD LYS A 43 6.207 5.569 2.761 1.00 1.02 C ATOM 637 CE LYS A 43 7.088 6.720 3.257 1.00 1.04 C ATOM 638 NZ LYS A 43 8.313 6.203 3.903 1.00 1.49 N ATOM 0 H LYS A 43 1.972 8.554 2.780 1.00 0.56 H new ATOM 0 HA LYS A 43 3.067 6.989 0.516 1.00 0.57 H new ATOM 0 HB2 LYS A 43 4.564 7.993 2.446 1.00 0.72 H new ATOM 0 HB3 LYS A 43 3.861 6.723 3.429 1.00 0.72 H new ATOM 0 HG2 LYS A 43 4.542 5.110 1.489 1.00 1.33 H new ATOM 0 HG3 LYS A 43 5.541 6.430 0.912 1.00 1.33 H new ATOM 0 HD2 LYS A 43 5.761 5.071 3.622 1.00 1.02 H new ATOM 0 HD3 LYS A 43 6.837 4.835 2.260 1.00 1.02 H new ATOM 0 HE2 LYS A 43 7.357 7.365 2.420 1.00 1.04 H new ATOM 0 HE3 LYS A 43 6.529 7.333 3.964 1.00 1.04 H new ATOM 0 HZ1 LYS A 43 8.783 6.972 4.421 1.00 1.49 H new ATOM 0 HZ2 LYS A 43 8.061 5.442 4.566 1.00 1.49 H new ATOM 0 HZ3 LYS A 43 8.958 5.830 3.177 1.00 1.49 H new ATOM 652 N ALA A 44 2.072 4.779 1.277 1.00 0.53 N ATOM 653 CA ALA A 44 1.660 3.477 1.766 1.00 0.56 C ATOM 654 C ALA A 44 2.909 2.635 1.989 1.00 0.53 C ATOM 655 O ALA A 44 3.669 2.435 1.043 1.00 0.57 O ATOM 656 CB ALA A 44 0.715 2.814 0.763 1.00 0.68 C ATOM 0 H ALA A 44 2.536 4.737 0.370 1.00 0.53 H new ATOM 0 HA ALA A 44 1.119 3.576 2.707 1.00 0.56 H new ATOM 0 HB1 ALA A 44 0.412 1.837 1.140 1.00 0.68 H new ATOM 0 HB2 ALA A 44 -0.167 3.440 0.626 1.00 0.68 H new ATOM 0 HB3 ALA A 44 1.226 2.692 -0.192 1.00 0.68 H new ATOM 662 N HIS A 45 3.126 2.147 3.218 1.00 0.53 N ATOM 663 CA HIS A 45 4.023 1.027 3.438 1.00 0.58 C ATOM 664 C HIS A 45 3.162 -0.227 3.484 1.00 0.57 C ATOM 665 O HIS A 45 2.161 -0.274 4.205 1.00 0.54 O ATOM 666 CB HIS A 45 4.933 1.223 4.668 1.00 0.71 C ATOM 667 CG HIS A 45 4.618 0.447 5.930 1.00 0.72 C ATOM 668 ND1 HIS A 45 4.727 0.952 7.205 1.00 0.96 N ATOM 669 CD2 HIS A 45 4.465 -0.914 6.049 1.00 0.83 C ATOM 670 CE1 HIS A 45 4.603 -0.073 8.065 1.00 1.13 C ATOM 671 NE2 HIS A 45 4.441 -1.231 7.408 1.00 1.03 N ATOM 0 H HIS A 45 2.691 2.514 4.064 1.00 0.53 H new ATOM 0 HA HIS A 45 4.740 0.937 2.622 1.00 0.58 H new ATOM 0 HB2 HIS A 45 5.951 0.973 4.370 1.00 0.71 H new ATOM 0 HB3 HIS A 45 4.926 2.283 4.920 1.00 0.71 H new ATOM 0 HD1 HIS A 45 4.875 1.930 7.453 1.00 0.96 H new ATOM 0 HD2 HIS A 45 4.378 -1.616 5.233 1.00 0.83 H new ATOM 0 HE1 HIS A 45 4.630 0.023 9.140 1.00 1.13 H new ATOM 679 N ILE A 46 3.588 -1.241 2.733 1.00 0.66 N ATOM 680 CA ILE A 46 3.015 -2.570 2.741 1.00 0.69 C ATOM 681 C ILE A 46 4.114 -3.529 3.203 1.00 0.74 C ATOM 682 O ILE A 46 5.156 -3.634 2.562 1.00 0.88 O ATOM 683 CB ILE A 46 2.530 -2.884 1.324 1.00 0.78 C ATOM 684 CG1 ILE A 46 1.445 -1.896 0.850 1.00 0.82 C ATOM 685 CG2 ILE A 46 1.987 -4.303 1.188 1.00 1.02 C ATOM 686 CD1 ILE A 46 2.009 -0.729 0.034 1.00 1.11 C ATOM 0 H ILE A 46 4.368 -1.149 2.083 1.00 0.66 H new ATOM 0 HA ILE A 46 2.163 -2.662 3.414 1.00 0.69 H new ATOM 0 HB ILE A 46 3.414 -2.784 0.694 1.00 0.78 H new ATOM 0 HG12 ILE A 46 0.712 -2.432 0.247 1.00 0.82 H new ATOM 0 HG13 ILE A 46 0.916 -1.502 1.718 1.00 0.82 H new ATOM 0 HG21 ILE A 46 1.658 -4.470 0.162 1.00 1.02 H new ATOM 0 HG22 ILE A 46 2.771 -5.018 1.438 1.00 1.02 H new ATOM 0 HG23 ILE A 46 1.144 -4.437 1.866 1.00 1.02 H new ATOM 0 HD11 ILE A 46 1.195 -0.070 -0.269 1.00 1.11 H new ATOM 0 HD12 ILE A 46 2.721 -0.170 0.642 1.00 1.11 H new ATOM 0 HD13 ILE A 46 2.513 -1.115 -0.852 1.00 1.11 H new ATOM 698 N LYS A 47 3.867 -4.210 4.319 1.00 0.67 N ATOM 699 CA LYS A 47 4.673 -5.291 4.874 1.00 0.64 C ATOM 700 C LYS A 47 4.037 -6.592 4.387 1.00 0.57 C ATOM 701 O LYS A 47 3.062 -7.047 4.980 1.00 0.68 O ATOM 702 CB LYS A 47 4.658 -5.225 6.412 1.00 0.73 C ATOM 703 CG LYS A 47 5.724 -4.308 7.026 1.00 0.80 C ATOM 704 CD LYS A 47 6.942 -5.137 7.457 1.00 1.69 C ATOM 705 CE LYS A 47 7.943 -4.295 8.263 1.00 1.95 C ATOM 706 NZ LYS A 47 9.154 -5.077 8.589 1.00 3.29 N ATOM 0 H LYS A 47 3.049 -4.009 4.894 1.00 0.67 H new ATOM 0 HA LYS A 47 5.713 -5.219 4.556 1.00 0.64 H new ATOM 0 HB2 LYS A 47 3.675 -4.885 6.738 1.00 0.73 H new ATOM 0 HB3 LYS A 47 4.794 -6.232 6.806 1.00 0.73 H new ATOM 0 HG2 LYS A 47 6.026 -3.551 6.302 1.00 0.80 H new ATOM 0 HG3 LYS A 47 5.310 -3.780 7.885 1.00 0.80 H new ATOM 0 HD2 LYS A 47 6.612 -5.984 8.058 1.00 1.69 H new ATOM 0 HD3 LYS A 47 7.436 -5.545 6.575 1.00 1.69 H new ATOM 0 HE2 LYS A 47 8.221 -3.409 7.692 1.00 1.95 H new ATOM 0 HE3 LYS A 47 7.473 -3.947 9.183 1.00 1.95 H new ATOM 0 HZ1 LYS A 47 9.813 -4.485 9.133 1.00 3.29 H new ATOM 0 HZ2 LYS A 47 8.888 -5.909 9.154 1.00 3.29 H new ATOM 0 HZ3 LYS A 47 9.614 -5.388 7.709 1.00 3.29 H new ATOM 720 N TYR A 48 4.543 -7.164 3.293 1.00 0.69 N ATOM 721 CA TYR A 48 3.992 -8.349 2.633 1.00 0.63 C ATOM 722 C TYR A 48 5.087 -9.396 2.472 1.00 0.52 C ATOM 723 O TYR A 48 6.257 -9.052 2.599 1.00 0.60 O ATOM 724 CB TYR A 48 3.407 -7.982 1.258 1.00 0.74 C ATOM 725 CG TYR A 48 4.427 -7.598 0.195 1.00 0.78 C ATOM 726 CD1 TYR A 48 5.280 -6.495 0.379 1.00 1.68 C ATOM 727 CD2 TYR A 48 4.567 -8.384 -0.962 1.00 2.24 C ATOM 728 CE1 TYR A 48 6.386 -6.317 -0.467 1.00 1.84 C ATOM 729 CE2 TYR A 48 5.536 -8.056 -1.925 1.00 2.33 C ATOM 730 CZ TYR A 48 6.493 -7.068 -1.643 1.00 1.27 C ATOM 731 OH TYR A 48 7.529 -6.840 -2.498 1.00 1.68 O ATOM 0 H TYR A 48 5.375 -6.803 2.827 1.00 0.69 H new ATOM 0 HA TYR A 48 3.189 -8.754 3.249 1.00 0.63 H new ATOM 0 HB2 TYR A 48 2.827 -8.829 0.891 1.00 0.74 H new ATOM 0 HB3 TYR A 48 2.713 -7.152 1.387 1.00 0.74 H new ATOM 0 HD1 TYR A 48 5.084 -5.786 1.170 1.00 1.68 H new ATOM 0 HD2 TYR A 48 3.928 -9.242 -1.111 1.00 2.24 H new ATOM 0 HE1 TYR A 48 7.153 -5.601 -0.211 1.00 1.84 H new ATOM 0 HE2 TYR A 48 5.545 -8.562 -2.879 1.00 2.33 H new ATOM 0 HH TYR A 48 7.601 -7.585 -3.131 1.00 1.68 H new ATOM 741 N ASP A 49 4.733 -10.648 2.158 1.00 0.60 N ATOM 742 CA ASP A 49 5.725 -11.648 1.791 1.00 0.62 C ATOM 743 C ASP A 49 5.989 -11.547 0.281 1.00 0.61 C ATOM 744 O ASP A 49 5.092 -11.847 -0.512 1.00 0.72 O ATOM 745 CB ASP A 49 5.237 -13.043 2.183 1.00 0.80 C ATOM 746 CG ASP A 49 6.210 -14.142 1.768 1.00 2.04 C ATOM 747 OD1 ASP A 49 7.232 -13.861 1.096 1.00 3.25 O ATOM 748 OD2 ASP A 49 5.977 -15.306 2.163 1.00 3.03 O ATOM 0 H ASP A 49 3.770 -10.985 2.153 1.00 0.60 H new ATOM 0 HA ASP A 49 6.658 -11.468 2.325 1.00 0.62 H new ATOM 0 HB2 ASP A 49 5.089 -13.082 3.262 1.00 0.80 H new ATOM 0 HB3 ASP A 49 4.267 -13.228 1.721 1.00 0.80 H new ATOM 753 N PRO A 50 7.190 -11.122 -0.146 1.00 0.72 N ATOM 754 CA PRO A 50 7.507 -10.959 -1.552 1.00 0.92 C ATOM 755 C PRO A 50 7.573 -12.283 -2.308 1.00 1.07 C ATOM 756 O PRO A 50 7.486 -12.268 -3.533 1.00 1.40 O ATOM 757 CB PRO A 50 8.845 -10.215 -1.587 1.00 1.09 C ATOM 758 CG PRO A 50 9.517 -10.657 -0.290 1.00 1.10 C ATOM 759 CD PRO A 50 8.338 -10.770 0.673 1.00 0.87 C ATOM 0 HA PRO A 50 6.720 -10.402 -2.060 1.00 0.92 H new ATOM 0 HB2 PRO A 50 9.436 -10.488 -2.461 1.00 1.09 H new ATOM 0 HB3 PRO A 50 8.705 -9.135 -1.621 1.00 1.09 H new ATOM 0 HG2 PRO A 50 10.038 -11.607 -0.407 1.00 1.10 H new ATOM 0 HG3 PRO A 50 10.253 -9.930 0.054 1.00 1.10 H new ATOM 0 HD2 PRO A 50 8.525 -11.530 1.432 1.00 0.87 H new ATOM 0 HD3 PRO A 50 8.170 -9.830 1.198 1.00 0.87 H new ATOM 767 N GLU A 51 7.735 -13.418 -1.617 1.00 1.11 N ATOM 768 CA GLU A 51 7.908 -14.694 -2.295 1.00 1.24 C ATOM 769 C GLU A 51 6.610 -15.117 -2.994 1.00 1.12 C ATOM 770 O GLU A 51 6.645 -15.722 -4.064 1.00 1.60 O ATOM 771 CB GLU A 51 8.383 -15.731 -1.268 1.00 1.46 C ATOM 772 CG GLU A 51 8.913 -17.020 -1.913 1.00 2.66 C ATOM 773 CD GLU A 51 9.498 -17.990 -0.893 1.00 3.29 C ATOM 774 OE1 GLU A 51 9.453 -17.648 0.312 1.00 3.70 O ATOM 775 OE2 GLU A 51 9.982 -19.053 -1.328 1.00 4.16 O ATOM 0 H GLU A 51 7.749 -13.472 -0.599 1.00 1.11 H new ATOM 0 HA GLU A 51 8.663 -14.608 -3.077 1.00 1.24 H new ATOM 0 HB2 GLU A 51 9.168 -15.291 -0.653 1.00 1.46 H new ATOM 0 HB3 GLU A 51 7.557 -15.979 -0.602 1.00 1.46 H new ATOM 0 HG2 GLU A 51 8.103 -17.511 -2.453 1.00 2.66 H new ATOM 0 HG3 GLU A 51 9.678 -16.766 -2.647 1.00 2.66 H new ATOM 782 N ILE A 52 5.467 -14.823 -2.367 1.00 0.81 N ATOM 783 CA ILE A 52 4.180 -15.408 -2.728 1.00 0.86 C ATOM 784 C ILE A 52 3.320 -14.500 -3.605 1.00 0.95 C ATOM 785 O ILE A 52 2.959 -14.877 -4.718 1.00 1.29 O ATOM 786 CB ILE A 52 3.443 -15.928 -1.474 1.00 0.81 C ATOM 787 CG1 ILE A 52 3.337 -14.899 -0.335 1.00 0.69 C ATOM 788 CG2 ILE A 52 4.143 -17.211 -0.998 1.00 0.98 C ATOM 789 CD1 ILE A 52 2.684 -15.490 0.920 1.00 0.83 C ATOM 0 H ILE A 52 5.413 -14.166 -1.588 1.00 0.81 H new ATOM 0 HA ILE A 52 4.387 -16.270 -3.363 1.00 0.86 H new ATOM 0 HB ILE A 52 2.411 -16.132 -1.759 1.00 0.81 H new ATOM 0 HG12 ILE A 52 4.332 -14.531 -0.086 1.00 0.69 H new ATOM 0 HG13 ILE A 52 2.756 -14.041 -0.675 1.00 0.69 H new ATOM 0 HG21 ILE A 52 3.637 -17.594 -0.112 1.00 0.98 H new ATOM 0 HG22 ILE A 52 4.107 -17.960 -1.789 1.00 0.98 H new ATOM 0 HG23 ILE A 52 5.182 -16.990 -0.755 1.00 0.98 H new ATOM 0 HD11 ILE A 52 2.631 -14.727 1.696 1.00 0.83 H new ATOM 0 HD12 ILE A 52 1.678 -15.833 0.679 1.00 0.83 H new ATOM 0 HD13 ILE A 52 3.278 -16.331 1.278 1.00 0.83 H new ATOM 801 N ILE A 53 2.932 -13.335 -3.091 1.00 0.77 N ATOM 802 CA ILE A 53 1.875 -12.529 -3.699 1.00 0.78 C ATOM 803 C ILE A 53 2.453 -11.583 -4.748 1.00 0.71 C ATOM 804 O ILE A 53 1.970 -11.499 -5.874 1.00 0.84 O ATOM 805 CB ILE A 53 1.034 -11.833 -2.612 1.00 0.82 C ATOM 806 CG1 ILE A 53 -0.135 -11.087 -3.264 1.00 1.03 C ATOM 807 CG2 ILE A 53 1.821 -10.863 -1.720 1.00 0.75 C ATOM 808 CD1 ILE A 53 -1.333 -10.991 -2.317 1.00 1.44 C ATOM 0 H ILE A 53 3.337 -12.926 -2.249 1.00 0.77 H new ATOM 0 HA ILE A 53 1.184 -13.176 -4.239 1.00 0.78 H new ATOM 0 HB ILE A 53 0.681 -12.629 -1.956 1.00 0.82 H new ATOM 0 HG12 ILE A 53 0.185 -10.085 -3.551 1.00 1.03 H new ATOM 0 HG13 ILE A 53 -0.432 -11.601 -4.178 1.00 1.03 H new ATOM 0 HG21 ILE A 53 1.150 -10.419 -0.984 1.00 0.75 H new ATOM 0 HG22 ILE A 53 2.616 -11.404 -1.207 1.00 0.75 H new ATOM 0 HG23 ILE A 53 2.257 -10.076 -2.335 1.00 0.75 H new ATOM 0 HD11 ILE A 53 -2.145 -10.456 -2.810 1.00 1.44 H new ATOM 0 HD12 ILE A 53 -1.668 -11.994 -2.051 1.00 1.44 H new ATOM 0 HD13 ILE A 53 -1.041 -10.455 -1.414 1.00 1.44 H new ATOM 820 N GLY A 54 3.527 -10.897 -4.367 1.00 0.72 N ATOM 821 CA GLY A 54 4.292 -10.033 -5.245 1.00 0.71 C ATOM 822 C GLY A 54 3.782 -8.588 -5.199 1.00 0.61 C ATOM 823 O GLY A 54 2.609 -8.340 -4.936 1.00 0.65 O ATOM 0 H GLY A 54 3.894 -10.931 -3.416 1.00 0.72 H new ATOM 0 HA2 GLY A 54 5.343 -10.058 -4.956 1.00 0.71 H new ATOM 0 HA3 GLY A 54 4.233 -10.408 -6.267 1.00 0.71 H new ATOM 827 N PRO A 55 4.666 -7.614 -5.451 1.00 0.56 N ATOM 828 CA PRO A 55 4.363 -6.194 -5.335 1.00 0.54 C ATOM 829 C PRO A 55 3.357 -5.719 -6.391 1.00 0.53 C ATOM 830 O PRO A 55 2.592 -4.789 -6.142 1.00 0.53 O ATOM 831 CB PRO A 55 5.714 -5.487 -5.468 1.00 0.65 C ATOM 832 CG PRO A 55 6.566 -6.465 -6.280 1.00 0.65 C ATOM 833 CD PRO A 55 6.053 -7.830 -5.822 1.00 0.62 C ATOM 0 HA PRO A 55 3.880 -5.968 -4.385 1.00 0.54 H new ATOM 0 HB2 PRO A 55 5.614 -4.528 -5.976 1.00 0.65 H new ATOM 0 HB3 PRO A 55 6.157 -5.286 -4.493 1.00 0.65 H new ATOM 0 HG2 PRO A 55 6.432 -6.323 -7.352 1.00 0.65 H new ATOM 0 HG3 PRO A 55 7.629 -6.343 -6.072 1.00 0.65 H new ATOM 0 HD2 PRO A 55 6.136 -8.569 -6.619 1.00 0.62 H new ATOM 0 HD3 PRO A 55 6.632 -8.205 -4.978 1.00 0.62 H new ATOM 841 N ARG A 56 3.357 -6.348 -7.573 1.00 0.56 N ATOM 842 CA ARG A 56 2.404 -6.044 -8.634 1.00 0.60 C ATOM 843 C ARG A 56 0.969 -6.067 -8.107 1.00 0.54 C ATOM 844 O ARG A 56 0.221 -5.122 -8.343 1.00 0.54 O ATOM 845 CB ARG A 56 2.560 -7.044 -9.788 1.00 0.70 C ATOM 846 CG ARG A 56 3.821 -6.779 -10.626 1.00 1.68 C ATOM 847 CD ARG A 56 3.460 -6.437 -12.079 1.00 2.30 C ATOM 848 NE ARG A 56 2.650 -5.209 -12.185 1.00 3.50 N ATOM 849 CZ ARG A 56 3.121 -3.953 -12.181 1.00 4.90 C ATOM 850 NH1 ARG A 56 4.431 -3.720 -12.050 1.00 5.46 N ATOM 851 NH2 ARG A 56 2.264 -2.940 -12.309 1.00 6.38 N ATOM 0 H ARG A 56 4.022 -7.083 -7.816 1.00 0.56 H new ATOM 0 HA ARG A 56 2.615 -5.040 -9.002 1.00 0.60 H new ATOM 0 HB2 ARG A 56 2.601 -8.056 -9.385 1.00 0.70 H new ATOM 0 HB3 ARG A 56 1.682 -6.992 -10.432 1.00 0.70 H new ATOM 0 HG2 ARG A 56 4.387 -5.958 -10.186 1.00 1.68 H new ATOM 0 HG3 ARG A 56 4.466 -7.658 -10.606 1.00 1.68 H new ATOM 0 HD2 ARG A 56 4.375 -6.316 -12.659 1.00 2.30 H new ATOM 0 HD3 ARG A 56 2.911 -7.270 -12.519 1.00 2.30 H new ATOM 0 HE ARG A 56 1.640 -5.325 -12.269 1.00 3.50 H new ATOM 0 HH11 ARG A 56 5.081 -4.500 -11.952 1.00 5.46 H new ATOM 0 HH12 ARG A 56 4.781 -2.762 -12.048 1.00 5.46 H new ATOM 0 HH21 ARG A 56 1.266 -3.126 -12.408 1.00 6.38 H new ATOM 0 HH22 ARG A 56 2.606 -1.979 -12.308 1.00 6.38 H new ATOM 865 N ASP A 57 0.599 -7.144 -7.408 1.00 0.53 N ATOM 866 CA ASP A 57 -0.729 -7.322 -6.835 1.00 0.53 C ATOM 867 C ASP A 57 -1.120 -6.095 -6.013 1.00 0.48 C ATOM 868 O ASP A 57 -2.146 -5.468 -6.261 1.00 0.46 O ATOM 869 CB ASP A 57 -0.729 -8.584 -5.970 1.00 0.58 C ATOM 870 CG ASP A 57 -2.002 -8.687 -5.147 1.00 1.53 C ATOM 871 OD1 ASP A 57 -2.974 -9.268 -5.672 1.00 2.35 O ATOM 872 OD2 ASP A 57 -1.971 -8.170 -4.010 1.00 2.78 O ATOM 0 H ASP A 57 1.227 -7.926 -7.224 1.00 0.53 H new ATOM 0 HA ASP A 57 -1.464 -7.435 -7.632 1.00 0.53 H new ATOM 0 HB2 ASP A 57 -0.632 -9.464 -6.606 1.00 0.58 H new ATOM 0 HB3 ASP A 57 0.136 -8.573 -5.307 1.00 0.58 H new ATOM 877 N ILE A 58 -0.265 -5.726 -5.062 1.00 0.48 N ATOM 878 CA ILE A 58 -0.449 -4.582 -4.181 1.00 0.46 C ATOM 879 C ILE A 58 -0.620 -3.295 -4.982 1.00 0.45 C ATOM 880 O ILE A 58 -1.602 -2.572 -4.799 1.00 0.51 O ATOM 881 CB ILE A 58 0.742 -4.555 -3.210 1.00 0.52 C ATOM 882 CG1 ILE A 58 0.569 -5.700 -2.194 1.00 0.58 C ATOM 883 CG2 ILE A 58 0.903 -3.208 -2.497 1.00 0.59 C ATOM 884 CD1 ILE A 58 1.892 -6.404 -1.893 1.00 0.96 C ATOM 0 H ILE A 58 0.601 -6.233 -4.880 1.00 0.48 H new ATOM 0 HA ILE A 58 -1.368 -4.670 -3.601 1.00 0.46 H new ATOM 0 HB ILE A 58 1.657 -4.693 -3.786 1.00 0.52 H new ATOM 0 HG12 ILE A 58 0.151 -5.303 -1.269 1.00 0.58 H new ATOM 0 HG13 ILE A 58 -0.147 -6.424 -2.583 1.00 0.58 H new ATOM 0 HG21 ILE A 58 1.760 -3.252 -1.825 1.00 0.59 H new ATOM 0 HG22 ILE A 58 1.060 -2.422 -3.236 1.00 0.59 H new ATOM 0 HG23 ILE A 58 0.003 -2.991 -1.922 1.00 0.59 H new ATOM 0 HD11 ILE A 58 1.723 -7.204 -1.172 1.00 0.96 H new ATOM 0 HD12 ILE A 58 2.298 -6.824 -2.813 1.00 0.96 H new ATOM 0 HD13 ILE A 58 2.600 -5.686 -1.479 1.00 0.96 H new ATOM 896 N ILE A 59 0.330 -3.003 -5.872 1.00 0.44 N ATOM 897 CA ILE A 59 0.270 -1.805 -6.695 1.00 0.46 C ATOM 898 C ILE A 59 -1.070 -1.768 -7.444 1.00 0.46 C ATOM 899 O ILE A 59 -1.816 -0.799 -7.324 1.00 0.53 O ATOM 900 CB ILE A 59 1.527 -1.731 -7.587 1.00 0.54 C ATOM 901 CG1 ILE A 59 2.759 -1.408 -6.722 1.00 0.81 C ATOM 902 CG2 ILE A 59 1.378 -0.700 -8.714 1.00 0.80 C ATOM 903 CD1 ILE A 59 4.083 -1.716 -7.430 1.00 1.27 C ATOM 0 H ILE A 59 1.151 -3.585 -6.038 1.00 0.44 H new ATOM 0 HA ILE A 59 0.290 -0.898 -6.091 1.00 0.46 H new ATOM 0 HB ILE A 59 1.657 -2.704 -8.060 1.00 0.54 H new ATOM 0 HG12 ILE A 59 2.737 -0.354 -6.447 1.00 0.81 H new ATOM 0 HG13 ILE A 59 2.706 -1.980 -5.796 1.00 0.81 H new ATOM 0 HG21 ILE A 59 2.287 -0.684 -9.315 1.00 0.80 H new ATOM 0 HG22 ILE A 59 0.531 -0.970 -9.345 1.00 0.80 H new ATOM 0 HG23 ILE A 59 1.210 0.287 -8.284 1.00 0.80 H new ATOM 0 HD11 ILE A 59 4.915 -1.468 -6.771 1.00 1.27 H new ATOM 0 HD12 ILE A 59 4.123 -2.776 -7.681 1.00 1.27 H new ATOM 0 HD13 ILE A 59 4.154 -1.124 -8.342 1.00 1.27 H new ATOM 915 N HIS A 60 -1.416 -2.837 -8.165 1.00 0.45 N ATOM 916 CA HIS A 60 -2.677 -2.912 -8.893 1.00 0.52 C ATOM 917 C HIS A 60 -3.893 -2.827 -7.962 1.00 0.54 C ATOM 918 O HIS A 60 -4.903 -2.225 -8.318 1.00 0.61 O ATOM 919 CB HIS A 60 -2.713 -4.150 -9.793 1.00 0.61 C ATOM 920 CG HIS A 60 -1.846 -3.983 -11.017 1.00 1.05 C ATOM 921 ND1 HIS A 60 -2.007 -3.018 -11.984 1.00 2.02 N ATOM 922 CD2 HIS A 60 -0.727 -4.705 -11.338 1.00 1.43 C ATOM 923 CE1 HIS A 60 -1.008 -3.157 -12.869 1.00 2.37 C ATOM 924 NE2 HIS A 60 -0.178 -4.157 -12.505 1.00 2.00 N ATOM 0 H HIS A 60 -0.832 -3.668 -8.258 1.00 0.45 H new ATOM 0 HA HIS A 60 -2.738 -2.037 -9.540 1.00 0.52 H new ATOM 0 HB2 HIS A 60 -2.378 -5.020 -9.227 1.00 0.61 H new ATOM 0 HB3 HIS A 60 -3.740 -4.346 -10.100 1.00 0.61 H new ATOM 0 HD1 HIS A 60 -2.752 -2.322 -12.022 1.00 2.02 H new ATOM 0 HD2 HIS A 60 -0.336 -5.549 -10.788 1.00 1.43 H new ATOM 0 HE1 HIS A 60 -0.885 -2.550 -13.754 1.00 2.37 H new ATOM 932 N THR A 61 -3.818 -3.391 -6.757 1.00 0.54 N ATOM 933 CA THR A 61 -4.901 -3.287 -5.790 1.00 0.62 C ATOM 934 C THR A 61 -5.157 -1.816 -5.467 1.00 0.54 C ATOM 935 O THR A 61 -6.297 -1.370 -5.519 1.00 0.70 O ATOM 936 CB THR A 61 -4.608 -4.135 -4.541 1.00 0.70 C ATOM 937 OG1 THR A 61 -4.554 -5.492 -4.920 1.00 0.81 O ATOM 938 CG2 THR A 61 -5.708 -4.003 -3.483 1.00 0.87 C ATOM 0 H THR A 61 -3.014 -3.926 -6.430 1.00 0.54 H new ATOM 0 HA THR A 61 -5.817 -3.693 -6.219 1.00 0.62 H new ATOM 0 HB THR A 61 -3.667 -3.784 -4.119 1.00 0.70 H new ATOM 0 HG1 THR A 61 -3.731 -5.658 -5.425 1.00 0.81 H new ATOM 0 HG21 THR A 61 -5.458 -4.619 -2.619 1.00 0.87 H new ATOM 0 HG22 THR A 61 -5.792 -2.961 -3.173 1.00 0.87 H new ATOM 0 HG23 THR A 61 -6.658 -4.334 -3.902 1.00 0.87 H new ATOM 946 N ILE A 62 -4.114 -1.047 -5.158 1.00 0.38 N ATOM 947 CA ILE A 62 -4.251 0.365 -4.811 1.00 0.41 C ATOM 948 C ILE A 62 -4.676 1.204 -6.024 1.00 0.47 C ATOM 949 O ILE A 62 -5.544 2.074 -5.913 1.00 0.57 O ATOM 950 CB ILE A 62 -2.938 0.840 -4.182 1.00 0.51 C ATOM 951 CG1 ILE A 62 -2.750 0.083 -2.857 1.00 0.69 C ATOM 952 CG2 ILE A 62 -2.928 2.351 -3.931 1.00 0.68 C ATOM 953 CD1 ILE A 62 -1.435 0.485 -2.212 1.00 2.12 C ATOM 0 H ILE A 62 -3.152 -1.385 -5.141 1.00 0.38 H new ATOM 0 HA ILE A 62 -5.049 0.495 -4.080 1.00 0.41 H new ATOM 0 HB ILE A 62 -2.120 0.634 -4.872 1.00 0.51 H new ATOM 0 HG12 ILE A 62 -3.578 0.303 -2.182 1.00 0.69 H new ATOM 0 HG13 ILE A 62 -2.763 -0.992 -3.038 1.00 0.69 H new ATOM 0 HG21 ILE A 62 -1.976 2.639 -3.484 1.00 0.68 H new ATOM 0 HG22 ILE A 62 -3.060 2.878 -4.876 1.00 0.68 H new ATOM 0 HG23 ILE A 62 -3.741 2.613 -3.254 1.00 0.68 H new ATOM 0 HD11 ILE A 62 -1.310 -0.056 -1.274 1.00 2.12 H new ATOM 0 HD12 ILE A 62 -0.611 0.243 -2.883 1.00 2.12 H new ATOM 0 HD13 ILE A 62 -1.439 1.557 -2.015 1.00 2.12 H new ATOM 965 N GLU A 63 -4.073 0.930 -7.182 1.00 0.47 N ATOM 966 CA GLU A 63 -4.459 1.479 -8.469 1.00 0.57 C ATOM 967 C GLU A 63 -5.971 1.303 -8.656 1.00 0.64 C ATOM 968 O GLU A 63 -6.685 2.239 -9.008 1.00 0.85 O ATOM 969 CB GLU A 63 -3.650 0.700 -9.511 1.00 0.64 C ATOM 970 CG GLU A 63 -3.719 1.201 -10.946 1.00 0.79 C ATOM 971 CD GLU A 63 -2.986 0.214 -11.848 1.00 1.75 C ATOM 972 OE1 GLU A 63 -3.585 -0.847 -12.135 1.00 2.69 O ATOM 973 OE2 GLU A 63 -1.809 0.478 -12.171 1.00 2.78 O ATOM 0 H GLU A 63 -3.276 0.297 -7.244 1.00 0.47 H new ATOM 0 HA GLU A 63 -4.255 2.546 -8.559 1.00 0.57 H new ATOM 0 HB2 GLU A 63 -2.605 0.701 -9.200 1.00 0.64 H new ATOM 0 HB3 GLU A 63 -3.986 -0.337 -9.496 1.00 0.64 H new ATOM 0 HG2 GLU A 63 -4.758 1.300 -11.261 1.00 0.79 H new ATOM 0 HG3 GLU A 63 -3.267 2.190 -11.023 1.00 0.79 H new ATOM 980 N SER A 64 -6.452 0.091 -8.370 1.00 0.66 N ATOM 981 CA SER A 64 -7.851 -0.291 -8.523 1.00 0.78 C ATOM 982 C SER A 64 -8.717 0.403 -7.466 1.00 0.71 C ATOM 983 O SER A 64 -9.800 0.898 -7.771 1.00 0.71 O ATOM 984 CB SER A 64 -7.968 -1.818 -8.477 1.00 0.88 C ATOM 985 OG SER A 64 -9.292 -2.243 -8.732 1.00 1.29 O ATOM 0 H SER A 64 -5.865 -0.665 -8.019 1.00 0.66 H new ATOM 0 HA SER A 64 -8.225 0.040 -9.492 1.00 0.78 H new ATOM 0 HB2 SER A 64 -7.295 -2.258 -9.213 1.00 0.88 H new ATOM 0 HB3 SER A 64 -7.651 -2.179 -7.499 1.00 0.88 H new ATOM 0 HG SER A 64 -9.334 -3.221 -8.697 1.00 1.29 H new ATOM 991 N LEU A 65 -8.228 0.455 -6.222 1.00 0.71 N ATOM 992 CA LEU A 65 -8.849 1.175 -5.116 1.00 0.68 C ATOM 993 C LEU A 65 -9.156 2.603 -5.562 1.00 0.73 C ATOM 994 O LEU A 65 -10.273 3.088 -5.390 1.00 1.10 O ATOM 995 CB LEU A 65 -7.906 1.161 -3.898 1.00 0.63 C ATOM 996 CG LEU A 65 -8.607 1.167 -2.535 1.00 1.41 C ATOM 997 CD1 LEU A 65 -9.690 2.244 -2.430 1.00 3.10 C ATOM 998 CD2 LEU A 65 -9.187 -0.215 -2.229 1.00 1.48 C ATOM 0 H LEU A 65 -7.365 -0.018 -5.954 1.00 0.71 H new ATOM 0 HA LEU A 65 -9.783 0.693 -4.826 1.00 0.68 H new ATOM 0 HB2 LEU A 65 -7.271 0.277 -3.959 1.00 0.63 H new ATOM 0 HB3 LEU A 65 -7.250 2.029 -3.956 1.00 0.63 H new ATOM 0 HG LEU A 65 -7.851 1.412 -1.789 1.00 1.41 H new ATOM 0 HD11 LEU A 65 -10.152 2.201 -1.444 1.00 3.10 H new ATOM 0 HD12 LEU A 65 -9.242 3.226 -2.578 1.00 3.10 H new ATOM 0 HD13 LEU A 65 -10.449 2.073 -3.194 1.00 3.10 H new ATOM 0 HD21 LEU A 65 -9.682 -0.195 -1.258 1.00 1.48 H new ATOM 0 HD22 LEU A 65 -9.910 -0.485 -2.999 1.00 1.48 H new ATOM 0 HD23 LEU A 65 -8.383 -0.951 -2.212 1.00 1.48 H new ATOM 1010 N GLY A 66 -8.152 3.248 -6.158 1.00 0.75 N ATOM 1011 CA GLY A 66 -8.318 4.513 -6.855 1.00 0.76 C ATOM 1012 C GLY A 66 -7.391 5.562 -6.265 1.00 0.61 C ATOM 1013 O GLY A 66 -7.800 6.696 -6.023 1.00 0.71 O ATOM 0 H GLY A 66 -7.194 2.899 -6.167 1.00 0.75 H new ATOM 0 HA2 GLY A 66 -8.104 4.383 -7.916 1.00 0.76 H new ATOM 0 HA3 GLY A 66 -9.353 4.846 -6.777 1.00 0.76 H new ATOM 1017 N PHE A 67 -6.134 5.173 -6.055 1.00 0.56 N ATOM 1018 CA PHE A 67 -5.053 6.074 -5.703 1.00 0.49 C ATOM 1019 C PHE A 67 -3.929 5.814 -6.699 1.00 0.55 C ATOM 1020 O PHE A 67 -4.035 4.886 -7.497 1.00 0.72 O ATOM 1021 CB PHE A 67 -4.622 5.822 -4.254 1.00 0.53 C ATOM 1022 CG PHE A 67 -5.765 5.843 -3.257 1.00 0.53 C ATOM 1023 CD1 PHE A 67 -6.553 7.001 -3.135 1.00 1.67 C ATOM 1024 CD2 PHE A 67 -6.135 4.675 -2.567 1.00 1.63 C ATOM 1025 CE1 PHE A 67 -7.671 7.009 -2.286 1.00 1.66 C ATOM 1026 CE2 PHE A 67 -7.240 4.692 -1.698 1.00 1.65 C ATOM 1027 CZ PHE A 67 -7.989 5.865 -1.535 1.00 0.54 C ATOM 0 H PHE A 67 -5.839 4.199 -6.128 1.00 0.56 H new ATOM 0 HA PHE A 67 -5.352 7.121 -5.757 1.00 0.49 H new ATOM 0 HB2 PHE A 67 -4.122 4.855 -4.198 1.00 0.53 H new ATOM 0 HB3 PHE A 67 -3.890 6.577 -3.967 1.00 0.53 H new ATOM 0 HD1 PHE A 67 -6.297 7.887 -3.696 1.00 1.67 H new ATOM 0 HD2 PHE A 67 -5.570 3.765 -2.705 1.00 1.63 H new ATOM 0 HE1 PHE A 67 -8.286 7.894 -2.210 1.00 1.66 H new ATOM 0 HE2 PHE A 67 -7.512 3.799 -1.155 1.00 1.65 H new ATOM 0 HZ PHE A 67 -8.809 5.890 -0.833 1.00 0.54 H new ATOM 1037 N GLU A 68 -2.877 6.632 -6.669 1.00 0.53 N ATOM 1038 CA GLU A 68 -1.890 6.685 -7.744 1.00 0.66 C ATOM 1039 C GLU A 68 -0.531 6.110 -7.304 1.00 0.67 C ATOM 1040 O GLU A 68 0.399 6.887 -7.095 1.00 0.86 O ATOM 1041 CB GLU A 68 -1.775 8.155 -8.184 1.00 0.85 C ATOM 1042 CG GLU A 68 -3.129 8.779 -8.575 1.00 2.37 C ATOM 1043 CD GLU A 68 -3.042 10.298 -8.604 1.00 3.39 C ATOM 1044 OE1 GLU A 68 -2.321 10.810 -9.486 1.00 3.65 O ATOM 1045 OE2 GLU A 68 -3.649 10.917 -7.701 1.00 4.66 O ATOM 0 H GLU A 68 -2.686 7.275 -5.900 1.00 0.53 H new ATOM 0 HA GLU A 68 -2.210 6.064 -8.581 1.00 0.66 H new ATOM 0 HB2 GLU A 68 -1.334 8.737 -7.374 1.00 0.85 H new ATOM 0 HB3 GLU A 68 -1.093 8.222 -9.032 1.00 0.85 H new ATOM 0 HG2 GLU A 68 -3.434 8.410 -9.554 1.00 2.37 H new ATOM 0 HG3 GLU A 68 -3.895 8.469 -7.864 1.00 2.37 H new ATOM 1052 N PRO A 69 -0.382 4.784 -7.118 1.00 0.62 N ATOM 1053 CA PRO A 69 0.804 4.212 -6.500 1.00 0.65 C ATOM 1054 C PRO A 69 2.043 4.349 -7.384 1.00 0.78 C ATOM 1055 O PRO A 69 1.998 4.082 -8.583 1.00 1.48 O ATOM 1056 CB PRO A 69 0.472 2.743 -6.226 1.00 0.62 C ATOM 1057 CG PRO A 69 -0.605 2.414 -7.253 1.00 0.62 C ATOM 1058 CD PRO A 69 -1.357 3.738 -7.380 1.00 0.61 C ATOM 0 HA PRO A 69 1.051 4.744 -5.581 1.00 0.65 H new ATOM 0 HB2 PRO A 69 1.348 2.106 -6.347 1.00 0.62 H new ATOM 0 HB3 PRO A 69 0.111 2.598 -5.208 1.00 0.62 H new ATOM 0 HG2 PRO A 69 -0.176 2.098 -8.204 1.00 0.62 H new ATOM 0 HG3 PRO A 69 -1.256 1.608 -6.914 1.00 0.62 H new ATOM 0 HD2 PRO A 69 -1.788 3.847 -8.375 1.00 0.61 H new ATOM 0 HD3 PRO A 69 -2.182 3.787 -6.669 1.00 0.61 H new ATOM 1066 N SER A 70 3.163 4.735 -6.772 1.00 0.70 N ATOM 1067 CA SER A 70 4.448 4.896 -7.425 1.00 0.81 C ATOM 1068 C SER A 70 5.541 4.495 -6.436 1.00 0.73 C ATOM 1069 O SER A 70 5.559 4.965 -5.301 1.00 0.90 O ATOM 1070 CB SER A 70 4.584 6.348 -7.892 1.00 1.05 C ATOM 1071 OG SER A 70 4.371 7.261 -6.829 1.00 1.92 O ATOM 0 H SER A 70 3.194 4.949 -5.775 1.00 0.70 H new ATOM 0 HA SER A 70 4.539 4.258 -8.304 1.00 0.81 H new ATOM 0 HB2 SER A 70 5.578 6.504 -8.312 1.00 1.05 H new ATOM 0 HB3 SER A 70 3.866 6.543 -8.689 1.00 1.05 H new ATOM 0 HG SER A 70 3.920 6.803 -6.089 1.00 1.92 H new ATOM 1077 N LEU A 71 6.465 3.622 -6.837 1.00 0.80 N ATOM 1078 CA LEU A 71 7.470 3.061 -5.932 1.00 0.83 C ATOM 1079 C LEU A 71 8.619 4.040 -5.642 1.00 1.07 C ATOM 1080 O LEU A 71 9.767 3.630 -5.472 1.00 2.31 O ATOM 1081 CB LEU A 71 7.964 1.707 -6.468 1.00 1.14 C ATOM 1082 CG LEU A 71 8.633 1.798 -7.854 1.00 2.04 C ATOM 1083 CD1 LEU A 71 9.964 1.035 -7.851 1.00 2.72 C ATOM 1084 CD2 LEU A 71 7.727 1.211 -8.945 1.00 3.36 C ATOM 0 H LEU A 71 6.539 3.284 -7.796 1.00 0.80 H new ATOM 0 HA LEU A 71 6.995 2.888 -4.966 1.00 0.83 H new ATOM 0 HB2 LEU A 71 8.674 1.282 -5.758 1.00 1.14 H new ATOM 0 HB3 LEU A 71 7.121 1.019 -6.526 1.00 1.14 H new ATOM 0 HG LEU A 71 8.809 2.852 -8.068 1.00 2.04 H new ATOM 0 HD11 LEU A 71 10.427 1.107 -8.835 1.00 2.72 H new ATOM 0 HD12 LEU A 71 10.630 1.468 -7.105 1.00 2.72 H new ATOM 0 HD13 LEU A 71 9.782 -0.013 -7.611 1.00 2.72 H new ATOM 0 HD21 LEU A 71 8.224 1.289 -9.912 1.00 3.36 H new ATOM 0 HD22 LEU A 71 7.524 0.163 -8.724 1.00 3.36 H new ATOM 0 HD23 LEU A 71 6.788 1.764 -8.975 1.00 3.36 H new