USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1015 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 60 MET CE :methyl 145:sc= -0.444 (180deg=-3.25!) USER MOD Set 1.2: A 111 MET CE :methyl 147:sc= -2.7! (180deg=-3.77!) USER MOD Set 2.1: A 74 ASN : amide:sc= -1.28 X(o=-2.2,f=-2.5!) USER MOD Set 2.2: A 76 ASN : amide:sc= -0.942 K(o=-2.2,f=-10!) USER MOD Set 3.1: A 43 GLN :FLIP amide:sc= -0.592 F(o=-1.6,f=-0.59) USER MOD Set 3.2: A 115 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 26 GLN : amide:sc= 0 X(o=-0.34,f=-0.23) USER MOD Set 4.2: A 27 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.0097) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0992 USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0217) USER MOD Single : A 9 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.032) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.125 K(o=-0.12,f=-0.77) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 30 LYS NZ :NH3+ 141:sc= 1.08 (180deg=0.196) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -147:sc= 0.663 (180deg=-0.527) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= -0.104 (180deg=-0.479) USER MOD Single : A 57 HIS : no HD1:sc= -0.532 X(o=-0.53,f=-0.24) USER MOD Single : A 59 ASN : amide:sc= -2.38! C(o=-2.4!,f=-2.6!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0.506 K(o=0.51,f=-0.43) USER MOD Single : A 77 GLN : amide:sc= -0.058 K(o=-0.058,f=-2.7!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 86 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.16) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -166:sc= -0.0132 (180deg=-0.241) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0968 USER MOD Single : A 99 TYR OH : rot -42:sc= 1.25 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 66:sc= 1.32 USER MOD Single : A 113 TYR OH : rot -167:sc= 1.2 USER MOD Single : A 116 GLN : amide:sc= 0.00932 X(o=0.0093,f=-0.41) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N THR A 6 -6.503 -12.035 -3.843 1.00 35.43 N ATOM 65 CA THR A 6 -6.059 -10.710 -3.423 1.00 3.32 C ATOM 66 C THR A 6 -7.155 -9.663 -3.628 1.00 1.50 C ATOM 67 O THR A 6 -8.256 -9.962 -4.095 1.00 51.41 O ATOM 68 CB THR A 6 -4.758 -10.350 -4.162 1.00 12.20 C ATOM 69 OG1 THR A 6 -4.086 -9.308 -3.486 1.00 31.02 O ATOM 70 CG2 THR A 6 -4.912 -9.979 -5.638 1.00 75.31 C ATOM 0 HA THR A 6 -5.851 -10.722 -2.353 1.00 3.32 H new ATOM 0 HB THR A 6 -4.177 -11.272 -4.155 1.00 12.20 H new ATOM 0 HG1 THR A 6 -3.259 -9.088 -3.964 1.00 31.02 H new ATOM 0 HG21 THR A 6 -3.934 -9.744 -6.058 1.00 75.31 H new ATOM 0 HG22 THR A 6 -5.348 -10.818 -6.180 1.00 75.31 H new ATOM 0 HG23 THR A 6 -5.564 -9.110 -5.729 1.00 75.31 H new ATOM 78 N PHE A 7 -6.829 -8.406 -3.316 1.00 32.31 N ATOM 79 CA PHE A 7 -7.707 -7.253 -3.447 1.00 43.53 C ATOM 80 C PHE A 7 -8.347 -7.213 -4.842 1.00 4.43 C ATOM 81 O PHE A 7 -9.567 -7.125 -4.967 1.00 52.43 O ATOM 82 CB PHE A 7 -6.930 -5.964 -3.117 1.00 62.03 C ATOM 83 CG PHE A 7 -5.904 -5.492 -4.136 1.00 33.31 C ATOM 84 CD1 PHE A 7 -4.572 -5.942 -4.072 1.00 71.41 C ATOM 85 CD2 PHE A 7 -6.279 -4.582 -5.146 1.00 35.43 C ATOM 86 CE1 PHE A 7 -3.632 -5.493 -5.015 1.00 60.22 C ATOM 87 CE2 PHE A 7 -5.341 -4.143 -6.094 1.00 64.34 C ATOM 88 CZ PHE A 7 -4.015 -4.603 -6.032 1.00 54.33 C ATOM 0 H PHE A 7 -5.909 -8.160 -2.951 1.00 32.31 H new ATOM 0 HA PHE A 7 -8.525 -7.336 -2.731 1.00 43.53 H new ATOM 0 HB2 PHE A 7 -7.653 -5.162 -2.969 1.00 62.03 H new ATOM 0 HB3 PHE A 7 -6.419 -6.112 -2.166 1.00 62.03 H new ATOM 0 HD1 PHE A 7 -4.272 -6.633 -3.298 1.00 71.41 H new ATOM 0 HD2 PHE A 7 -7.296 -4.220 -5.191 1.00 35.43 H new ATOM 0 HE1 PHE A 7 -2.609 -5.834 -4.958 1.00 60.22 H new ATOM 0 HE2 PHE A 7 -5.638 -3.453 -6.870 1.00 64.34 H new ATOM 0 HZ PHE A 7 -3.292 -4.273 -6.764 1.00 54.33 H new ATOM 98 N LYS A 8 -7.532 -7.385 -5.891 1.00 54.52 N ATOM 99 CA LYS A 8 -7.998 -7.351 -7.279 1.00 12.30 C ATOM 100 C LYS A 8 -8.956 -8.490 -7.613 1.00 1.34 C ATOM 101 O LYS A 8 -9.706 -8.403 -8.578 1.00 44.54 O ATOM 102 CB LYS A 8 -6.774 -7.301 -8.206 1.00 3.22 C ATOM 103 CG LYS A 8 -7.136 -7.229 -9.698 1.00 33.32 C ATOM 104 CD LYS A 8 -5.973 -6.619 -10.484 1.00 61.33 C ATOM 105 CE LYS A 8 -6.133 -6.653 -12.006 1.00 42.25 C ATOM 106 NZ LYS A 8 -6.206 -8.022 -12.555 1.00 12.40 N ATOM 0 H LYS A 8 -6.530 -7.552 -5.798 1.00 54.52 H new ATOM 0 HA LYS A 8 -8.593 -6.450 -7.432 1.00 12.30 H new ATOM 0 HB2 LYS A 8 -6.166 -6.434 -7.946 1.00 3.22 H new ATOM 0 HB3 LYS A 8 -6.160 -8.185 -8.032 1.00 3.22 H new ATOM 0 HG2 LYS A 8 -7.359 -8.227 -10.076 1.00 33.32 H new ATOM 0 HG3 LYS A 8 -8.035 -6.628 -9.835 1.00 33.32 H new ATOM 0 HD2 LYS A 8 -5.846 -5.583 -10.170 1.00 61.33 H new ATOM 0 HD3 LYS A 8 -5.058 -7.147 -10.218 1.00 61.33 H new ATOM 0 HE2 LYS A 8 -7.037 -6.110 -12.282 1.00 42.25 H new ATOM 0 HE3 LYS A 8 -5.294 -6.129 -12.464 1.00 42.25 H new ATOM 0 HZ1 LYS A 8 -6.228 -7.979 -13.594 1.00 12.40 H new ATOM 0 HZ2 LYS A 8 -5.373 -8.564 -12.249 1.00 12.40 H new ATOM 0 HZ3 LYS A 8 -7.068 -8.489 -12.209 1.00 12.40 H new ATOM 120 N GLN A 9 -8.855 -9.616 -6.910 1.00 60.14 N ATOM 121 CA GLN A 9 -9.738 -10.752 -7.124 1.00 63.01 C ATOM 122 C GLN A 9 -11.048 -10.540 -6.370 1.00 21.12 C ATOM 123 O GLN A 9 -12.109 -10.876 -6.889 1.00 10.42 O ATOM 124 CB GLN A 9 -9.050 -12.045 -6.690 1.00 74.43 C ATOM 125 CG GLN A 9 -7.805 -12.407 -7.519 1.00 31.13 C ATOM 126 CD GLN A 9 -8.072 -12.744 -8.986 1.00 43.33 C ATOM 127 OE1 GLN A 9 -8.065 -13.912 -9.372 1.00 41.15 O ATOM 128 NE2 GLN A 9 -8.250 -11.750 -9.839 1.00 62.04 N ATOM 0 H GLN A 9 -8.159 -9.763 -6.179 1.00 60.14 H new ATOM 0 HA GLN A 9 -9.967 -10.836 -8.186 1.00 63.01 H new ATOM 0 HB2 GLN A 9 -8.762 -11.956 -5.643 1.00 74.43 H new ATOM 0 HB3 GLN A 9 -9.766 -12.864 -6.755 1.00 74.43 H new ATOM 0 HG2 GLN A 9 -7.105 -11.572 -7.477 1.00 31.13 H new ATOM 0 HG3 GLN A 9 -7.313 -13.260 -7.051 1.00 31.13 H new ATOM 0 HE21 GLN A 9 -8.254 -10.786 -9.505 1.00 62.04 H new ATOM 0 HE22 GLN A 9 -8.384 -11.947 -10.831 1.00 62.04 H new ATOM 137 N ARG A 10 -11.011 -9.953 -5.165 1.00 60.01 N ATOM 138 CA ARG A 10 -12.250 -9.746 -4.423 1.00 55.42 C ATOM 139 C ARG A 10 -13.066 -8.575 -4.978 1.00 35.43 C ATOM 140 O ARG A 10 -14.292 -8.641 -4.916 1.00 63.12 O ATOM 141 CB ARG A 10 -12.016 -9.665 -2.904 1.00 22.43 C ATOM 142 CG ARG A 10 -11.202 -8.467 -2.391 1.00 64.12 C ATOM 143 CD ARG A 10 -11.582 -8.050 -0.960 1.00 32.04 C ATOM 144 NE ARG A 10 -11.010 -8.941 0.062 1.00 0.30 N ATOM 145 CZ ARG A 10 -11.274 -8.894 1.374 1.00 14.51 C ATOM 146 NH1 ARG A 10 -12.168 -8.055 1.872 1.00 71.34 N ATOM 147 NH2 ARG A 10 -10.644 -9.697 2.220 1.00 54.21 N ATOM 0 H ARG A 10 -10.164 -9.625 -4.701 1.00 60.01 H new ATOM 0 HA ARG A 10 -12.865 -10.633 -4.575 1.00 55.42 H new ATOM 0 HB2 ARG A 10 -12.988 -9.651 -2.411 1.00 22.43 H new ATOM 0 HB3 ARG A 10 -11.511 -10.578 -2.589 1.00 22.43 H new ATOM 0 HG2 ARG A 10 -10.141 -8.716 -2.421 1.00 64.12 H new ATOM 0 HG3 ARG A 10 -11.350 -7.620 -3.062 1.00 64.12 H new ATOM 0 HD2 ARG A 10 -11.240 -7.031 -0.780 1.00 32.04 H new ATOM 0 HD3 ARG A 10 -12.668 -8.044 -0.864 1.00 32.04 H new ATOM 0 HE ARG A 10 -10.356 -9.656 -0.256 1.00 0.30 H new ATOM 0 HH11 ARG A 10 -12.675 -7.423 1.252 1.00 71.34 H new ATOM 0 HH12 ARG A 10 -12.350 -8.040 2.876 1.00 71.34 H new ATOM 0 HH21 ARG A 10 -9.950 -10.359 1.874 1.00 54.21 H new ATOM 0 HH22 ARG A 10 -10.853 -9.652 3.217 1.00 54.21 H new ATOM 161 N ARG A 11 -12.442 -7.546 -5.567 1.00 33.23 N ATOM 162 CA ARG A 11 -13.139 -6.391 -6.135 1.00 51.24 C ATOM 163 C ARG A 11 -12.729 -6.223 -7.604 1.00 73.43 C ATOM 164 O ARG A 11 -11.561 -5.951 -7.906 1.00 62.25 O ATOM 165 CB ARG A 11 -12.835 -5.107 -5.333 1.00 73.14 C ATOM 166 CG ARG A 11 -13.221 -5.075 -3.840 1.00 75.05 C ATOM 167 CD ARG A 11 -14.712 -5.214 -3.481 1.00 2.10 C ATOM 168 NE ARG A 11 -14.910 -4.859 -2.061 1.00 52.42 N ATOM 169 CZ ARG A 11 -15.754 -5.393 -1.165 1.00 20.32 C ATOM 170 NH1 ARG A 11 -16.681 -6.287 -1.482 1.00 41.14 N ATOM 171 NH2 ARG A 11 -15.664 -5.030 0.104 1.00 52.11 N ATOM 0 H ARG A 11 -11.428 -7.494 -5.662 1.00 33.23 H new ATOM 0 HA ARG A 11 -14.214 -6.565 -6.078 1.00 51.24 H new ATOM 0 HB2 ARG A 11 -11.765 -4.914 -5.405 1.00 73.14 H new ATOM 0 HB3 ARG A 11 -13.342 -4.278 -5.826 1.00 73.14 H new ATOM 0 HG2 ARG A 11 -12.679 -5.876 -3.337 1.00 75.05 H new ATOM 0 HG3 ARG A 11 -12.862 -4.135 -3.421 1.00 75.05 H new ATOM 0 HD2 ARG A 11 -15.313 -4.564 -4.117 1.00 2.10 H new ATOM 0 HD3 ARG A 11 -15.047 -6.235 -3.662 1.00 2.10 H new ATOM 0 HE ARG A 11 -14.323 -4.101 -1.713 1.00 52.42 H new ATOM 0 HH11 ARG A 11 -16.778 -6.601 -2.448 1.00 41.14 H new ATOM 0 HH12 ARG A 11 -17.297 -6.661 -0.760 1.00 41.14 H new ATOM 0 HH21 ARG A 11 -14.959 -4.351 0.392 1.00 52.11 H new ATOM 0 HH22 ARG A 11 -16.300 -5.429 0.795 1.00 52.11 H new ATOM 185 N THR A 12 -13.682 -6.366 -8.525 1.00 4.32 N ATOM 186 CA THR A 12 -13.451 -6.215 -9.959 1.00 32.40 C ATOM 187 C THR A 12 -13.066 -4.754 -10.245 1.00 3.44 C ATOM 188 O THR A 12 -13.289 -3.877 -9.416 1.00 33.03 O ATOM 189 CB THR A 12 -14.730 -6.672 -10.696 1.00 44.54 C ATOM 190 OG1 THR A 12 -14.535 -6.882 -12.086 1.00 74.44 O ATOM 191 CG2 THR A 12 -15.917 -5.720 -10.511 1.00 52.15 C ATOM 0 H THR A 12 -14.649 -6.593 -8.291 1.00 4.32 H new ATOM 0 HA THR A 12 -12.627 -6.832 -10.316 1.00 32.40 H new ATOM 0 HB THR A 12 -14.966 -7.625 -10.223 1.00 44.54 H new ATOM 0 HG1 THR A 12 -15.378 -7.171 -12.495 1.00 74.44 H new ATOM 0 HG21 THR A 12 -16.780 -6.104 -11.056 1.00 52.15 H new ATOM 0 HG22 THR A 12 -16.161 -5.645 -9.451 1.00 52.15 H new ATOM 0 HG23 THR A 12 -15.655 -4.734 -10.894 1.00 52.15 H new ATOM 199 N PHE A 13 -12.576 -4.447 -11.446 1.00 21.41 N ATOM 200 CA PHE A 13 -12.168 -3.108 -11.865 1.00 60.02 C ATOM 201 C PHE A 13 -13.235 -2.047 -11.578 1.00 72.41 C ATOM 202 O PHE A 13 -12.927 -1.016 -10.997 1.00 61.25 O ATOM 203 CB PHE A 13 -11.801 -3.148 -13.347 1.00 74.42 C ATOM 204 CG PHE A 13 -11.291 -1.832 -13.883 1.00 74.25 C ATOM 205 CD1 PHE A 13 -9.977 -1.416 -13.602 1.00 30.04 C ATOM 206 CD2 PHE A 13 -12.136 -1.017 -14.658 1.00 71.41 C ATOM 207 CE1 PHE A 13 -9.516 -0.185 -14.093 1.00 72.41 C ATOM 208 CE2 PHE A 13 -11.673 0.216 -15.144 1.00 70.01 C ATOM 209 CZ PHE A 13 -10.364 0.632 -14.854 1.00 10.53 C ATOM 0 H PHE A 13 -12.448 -5.147 -12.177 1.00 21.41 H new ATOM 0 HA PHE A 13 -11.298 -2.812 -11.278 1.00 60.02 H new ATOM 0 HB2 PHE A 13 -11.040 -3.913 -13.503 1.00 74.42 H new ATOM 0 HB3 PHE A 13 -12.677 -3.449 -13.921 1.00 74.42 H new ATOM 0 HD1 PHE A 13 -9.325 -2.042 -13.010 1.00 30.04 H new ATOM 0 HD2 PHE A 13 -13.142 -1.340 -14.879 1.00 71.41 H new ATOM 0 HE1 PHE A 13 -8.506 0.134 -13.884 1.00 72.41 H new ATOM 0 HE2 PHE A 13 -12.321 0.842 -15.739 1.00 70.01 H new ATOM 0 HZ PHE A 13 -10.009 1.585 -15.218 1.00 10.53 H new ATOM 219 N GLU A 14 -14.500 -2.323 -11.892 1.00 15.43 N ATOM 220 CA GLU A 14 -15.619 -1.403 -11.669 1.00 0.23 C ATOM 221 C GLU A 14 -15.717 -1.059 -10.174 1.00 44.54 C ATOM 222 O GLU A 14 -15.880 0.102 -9.790 1.00 1.30 O ATOM 223 CB GLU A 14 -16.922 -2.069 -12.136 1.00 62.44 C ATOM 224 CG GLU A 14 -16.873 -2.604 -13.579 1.00 61.04 C ATOM 225 CD GLU A 14 -17.853 -3.749 -13.838 1.00 14.51 C ATOM 226 OE1 GLU A 14 -18.112 -4.575 -12.930 1.00 44.11 O ATOM 227 OE2 GLU A 14 -18.315 -3.890 -14.992 1.00 70.32 O ATOM 0 H GLU A 14 -14.783 -3.207 -12.316 1.00 15.43 H new ATOM 0 HA GLU A 14 -15.456 -0.486 -12.235 1.00 0.23 H new ATOM 0 HB2 GLU A 14 -17.158 -2.893 -11.462 1.00 62.44 H new ATOM 0 HB3 GLU A 14 -17.735 -1.348 -12.055 1.00 62.44 H new ATOM 0 HG2 GLU A 14 -17.090 -1.788 -14.268 1.00 61.04 H new ATOM 0 HG3 GLU A 14 -15.861 -2.946 -13.797 1.00 61.04 H new ATOM 234 N GLN A 15 -15.638 -2.091 -9.327 1.00 55.45 N ATOM 235 CA GLN A 15 -15.688 -1.971 -7.879 1.00 13.11 C ATOM 236 C GLN A 15 -14.444 -1.239 -7.383 1.00 35.04 C ATOM 237 O GLN A 15 -14.530 -0.524 -6.393 1.00 12.54 O ATOM 238 CB GLN A 15 -15.744 -3.363 -7.225 1.00 31.31 C ATOM 239 CG GLN A 15 -17.148 -3.972 -7.173 1.00 21.43 C ATOM 240 CD GLN A 15 -18.057 -3.190 -6.234 1.00 12.53 C ATOM 241 OE1 GLN A 15 -17.621 -2.712 -5.187 1.00 61.33 O ATOM 242 NE2 GLN A 15 -19.319 -3.022 -6.573 1.00 1.43 N ATOM 0 H GLN A 15 -15.535 -3.055 -9.645 1.00 55.45 H new ATOM 0 HA GLN A 15 -16.584 -1.412 -7.608 1.00 13.11 H new ATOM 0 HB2 GLN A 15 -15.087 -4.037 -7.774 1.00 31.31 H new ATOM 0 HB3 GLN A 15 -15.352 -3.292 -6.210 1.00 31.31 H new ATOM 0 HG2 GLN A 15 -17.579 -3.983 -8.174 1.00 21.43 H new ATOM 0 HG3 GLN A 15 -17.085 -5.009 -6.842 1.00 21.43 H new ATOM 0 HE21 GLN A 15 -19.671 -3.422 -7.443 1.00 1.43 H new ATOM 0 HE22 GLN A 15 -19.944 -2.492 -5.966 1.00 1.43 H new ATOM 251 N ARG A 16 -13.295 -1.421 -8.038 1.00 22.03 N ATOM 252 CA ARG A 16 -12.035 -0.784 -7.683 1.00 34.20 C ATOM 253 C ARG A 16 -12.129 0.707 -7.977 1.00 1.10 C ATOM 254 O ARG A 16 -11.840 1.491 -7.084 1.00 3.14 O ATOM 255 CB ARG A 16 -10.851 -1.498 -8.363 1.00 14.22 C ATOM 256 CG ARG A 16 -10.557 -2.804 -7.604 1.00 73.34 C ATOM 257 CD ARG A 16 -9.348 -3.589 -8.122 1.00 73.32 C ATOM 258 NE ARG A 16 -9.590 -4.251 -9.421 1.00 63.04 N ATOM 259 CZ ARG A 16 -8.876 -4.077 -10.551 1.00 74.11 C ATOM 260 NH1 ARG A 16 -7.850 -3.243 -10.604 1.00 44.24 N ATOM 261 NH2 ARG A 16 -9.158 -4.747 -11.664 1.00 70.41 N ATOM 0 H ARG A 16 -13.219 -2.033 -8.851 1.00 22.03 H new ATOM 0 HA ARG A 16 -11.842 -0.879 -6.614 1.00 34.20 H new ATOM 0 HB2 ARG A 16 -11.088 -1.712 -9.405 1.00 14.22 H new ATOM 0 HB3 ARG A 16 -9.971 -0.855 -8.362 1.00 14.22 H new ATOM 0 HG2 ARG A 16 -10.396 -2.568 -6.552 1.00 73.34 H new ATOM 0 HG3 ARG A 16 -11.438 -3.444 -7.656 1.00 73.34 H new ATOM 0 HD2 ARG A 16 -8.500 -2.912 -8.220 1.00 73.32 H new ATOM 0 HD3 ARG A 16 -9.071 -4.342 -7.385 1.00 73.32 H new ATOM 0 HE ARG A 16 -10.373 -4.903 -9.467 1.00 63.04 H new ATOM 0 HH11 ARG A 16 -7.581 -2.712 -9.776 1.00 44.24 H new ATOM 0 HH12 ARG A 16 -7.328 -3.132 -11.473 1.00 44.24 H new ATOM 0 HH21 ARG A 16 -9.931 -5.412 -11.677 1.00 70.41 H new ATOM 0 HH22 ARG A 16 -8.601 -4.596 -12.505 1.00 70.41 H new ATOM 275 N VAL A 17 -12.578 1.112 -9.167 1.00 22.32 N ATOM 276 CA VAL A 17 -12.725 2.523 -9.521 1.00 4.11 C ATOM 277 C VAL A 17 -13.680 3.182 -8.516 1.00 63.03 C ATOM 278 O VAL A 17 -13.405 4.294 -8.066 1.00 21.20 O ATOM 279 CB VAL A 17 -13.134 2.658 -11.003 1.00 33.13 C ATOM 280 CG1 VAL A 17 -13.384 4.120 -11.389 1.00 60.23 C ATOM 281 CG2 VAL A 17 -12.025 2.134 -11.935 1.00 21.21 C ATOM 0 H VAL A 17 -12.850 0.470 -9.912 1.00 22.32 H new ATOM 0 HA VAL A 17 -11.780 3.061 -9.445 1.00 4.11 H new ATOM 0 HB VAL A 17 -14.047 2.073 -11.118 1.00 33.13 H new ATOM 0 HG11 VAL A 17 -13.670 4.175 -12.439 1.00 60.23 H new ATOM 0 HG12 VAL A 17 -14.186 4.527 -10.773 1.00 60.23 H new ATOM 0 HG13 VAL A 17 -12.474 4.699 -11.230 1.00 60.23 H new ATOM 0 HG21 VAL A 17 -12.341 2.242 -12.973 1.00 21.21 H new ATOM 0 HG22 VAL A 17 -11.112 2.707 -11.772 1.00 21.21 H new ATOM 0 HG23 VAL A 17 -11.836 1.082 -11.720 1.00 21.21 H new ATOM 291 N GLU A 18 -14.780 2.508 -8.154 1.00 15.41 N ATOM 292 CA GLU A 18 -15.762 2.999 -7.188 1.00 60.02 C ATOM 293 C GLU A 18 -15.109 3.111 -5.808 1.00 20.44 C ATOM 294 O GLU A 18 -15.291 4.102 -5.111 1.00 41.44 O ATOM 295 CB GLU A 18 -16.935 2.003 -7.123 1.00 20.43 C ATOM 296 CG GLU A 18 -18.042 2.371 -6.119 1.00 1.21 C ATOM 297 CD GLU A 18 -19.068 3.319 -6.725 1.00 3.32 C ATOM 298 OE1 GLU A 18 -20.023 2.837 -7.380 1.00 11.12 O ATOM 299 OE2 GLU A 18 -18.944 4.546 -6.516 1.00 72.04 O ATOM 0 H GLU A 18 -15.013 1.590 -8.533 1.00 15.41 H new ATOM 0 HA GLU A 18 -16.125 3.980 -7.494 1.00 60.02 H new ATOM 0 HB2 GLU A 18 -17.378 1.920 -8.116 1.00 20.43 H new ATOM 0 HB3 GLU A 18 -16.543 1.019 -6.865 1.00 20.43 H new ATOM 0 HG2 GLU A 18 -18.542 1.463 -5.781 1.00 1.21 H new ATOM 0 HG3 GLU A 18 -17.595 2.834 -5.240 1.00 1.21 H new ATOM 306 N ASP A 19 -14.334 2.107 -5.414 1.00 44.53 N ATOM 307 CA ASP A 19 -13.649 2.053 -4.136 1.00 32.30 C ATOM 308 C ASP A 19 -12.654 3.196 -4.000 1.00 14.11 C ATOM 309 O ASP A 19 -12.650 3.862 -2.966 1.00 43.24 O ATOM 310 CB ASP A 19 -12.980 0.680 -3.992 1.00 1.53 C ATOM 311 CG ASP A 19 -11.860 0.622 -2.964 1.00 11.53 C ATOM 312 OD1 ASP A 19 -10.731 1.081 -3.279 1.00 33.10 O ATOM 313 OD2 ASP A 19 -12.046 -0.080 -1.943 1.00 71.04 O ATOM 0 H ASP A 19 -14.163 1.286 -5.995 1.00 44.53 H new ATOM 0 HA ASP A 19 -14.367 2.177 -3.325 1.00 32.30 H new ATOM 0 HB2 ASP A 19 -13.740 -0.053 -3.722 1.00 1.53 H new ATOM 0 HB3 ASP A 19 -12.580 0.382 -4.961 1.00 1.53 H new ATOM 318 N VAL A 20 -11.842 3.465 -5.027 1.00 54.41 N ATOM 319 CA VAL A 20 -10.867 4.545 -4.948 1.00 32.24 C ATOM 320 C VAL A 20 -11.591 5.879 -4.844 1.00 31.43 C ATOM 321 O VAL A 20 -11.315 6.621 -3.904 1.00 22.03 O ATOM 322 CB VAL A 20 -9.795 4.485 -6.054 1.00 40.25 C ATOM 323 CG1 VAL A 20 -8.721 5.551 -5.813 1.00 44.53 C ATOM 324 CG2 VAL A 20 -9.034 3.154 -6.033 1.00 35.01 C ATOM 0 H VAL A 20 -11.843 2.954 -5.910 1.00 54.41 H new ATOM 0 HA VAL A 20 -10.284 4.420 -4.036 1.00 32.24 H new ATOM 0 HB VAL A 20 -10.326 4.626 -6.995 1.00 40.25 H new ATOM 0 HG11 VAL A 20 -7.971 5.497 -6.602 1.00 44.53 H new ATOM 0 HG12 VAL A 20 -9.181 6.539 -5.818 1.00 44.53 H new ATOM 0 HG13 VAL A 20 -8.246 5.377 -4.848 1.00 44.53 H new ATOM 0 HG21 VAL A 20 -8.287 3.149 -6.827 1.00 35.01 H new ATOM 0 HG22 VAL A 20 -8.540 3.033 -5.069 1.00 35.01 H new ATOM 0 HG23 VAL A 20 -9.733 2.333 -6.188 1.00 35.01 H new ATOM 334 N ARG A 21 -12.525 6.202 -5.746 1.00 60.05 N ATOM 335 CA ARG A 21 -13.234 7.484 -5.666 1.00 51.24 C ATOM 336 C ARG A 21 -13.982 7.629 -4.341 1.00 34.44 C ATOM 337 O ARG A 21 -14.033 8.726 -3.778 1.00 1.22 O ATOM 338 CB ARG A 21 -14.151 7.683 -6.893 1.00 33.11 C ATOM 339 CG ARG A 21 -15.287 6.667 -7.074 1.00 15.40 C ATOM 340 CD ARG A 21 -16.590 6.940 -6.315 1.00 31.12 C ATOM 341 NE ARG A 21 -17.358 7.994 -6.962 1.00 62.12 N ATOM 342 CZ ARG A 21 -18.256 7.882 -7.937 1.00 44.33 C ATOM 343 NH1 ARG A 21 -18.781 6.697 -8.209 1.00 21.02 N ATOM 344 NH2 ARG A 21 -18.578 8.956 -8.644 1.00 55.54 N ATOM 0 H ARG A 21 -12.804 5.606 -6.526 1.00 60.05 H new ATOM 0 HA ARG A 21 -12.495 8.285 -5.688 1.00 51.24 H new ATOM 0 HB2 ARG A 21 -14.591 8.678 -6.832 1.00 33.11 H new ATOM 0 HB3 ARG A 21 -13.530 7.663 -7.789 1.00 33.11 H new ATOM 0 HG2 ARG A 21 -15.520 6.605 -8.137 1.00 15.40 H new ATOM 0 HG3 ARG A 21 -14.917 5.687 -6.771 1.00 15.40 H new ATOM 0 HD2 ARG A 21 -17.185 6.028 -6.267 1.00 31.12 H new ATOM 0 HD3 ARG A 21 -16.364 7.227 -5.288 1.00 31.12 H new ATOM 0 HE ARG A 21 -17.185 8.941 -6.624 1.00 62.12 H new ATOM 0 HH11 ARG A 21 -18.496 5.878 -7.672 1.00 21.02 H new ATOM 0 HH12 ARG A 21 -19.470 6.604 -8.955 1.00 21.02 H new ATOM 0 HH21 ARG A 21 -18.139 9.853 -8.437 1.00 55.54 H new ATOM 0 HH22 ARG A 21 -19.265 8.885 -9.395 1.00 55.54 H new ATOM 358 N LEU A 22 -14.556 6.540 -3.818 1.00 22.30 N ATOM 359 CA LEU A 22 -15.300 6.568 -2.570 1.00 1.43 C ATOM 360 C LEU A 22 -14.330 6.936 -1.444 1.00 60.15 C ATOM 361 O LEU A 22 -14.582 7.873 -0.682 1.00 23.41 O ATOM 362 CB LEU A 22 -16.029 5.228 -2.361 1.00 23.12 C ATOM 363 CG LEU A 22 -16.980 5.134 -1.155 1.00 73.01 C ATOM 364 CD1 LEU A 22 -16.259 4.785 0.147 1.00 42.05 C ATOM 365 CD2 LEU A 22 -17.838 6.390 -0.978 1.00 34.14 C ATOM 0 H LEU A 22 -14.514 5.619 -4.253 1.00 22.30 H new ATOM 0 HA LEU A 22 -16.084 7.325 -2.584 1.00 1.43 H new ATOM 0 HB2 LEU A 22 -16.601 5.009 -3.262 1.00 23.12 H new ATOM 0 HB3 LEU A 22 -15.278 4.445 -2.262 1.00 23.12 H new ATOM 0 HG LEU A 22 -17.651 4.307 -1.388 1.00 73.01 H new ATOM 0 HD11 LEU A 22 -16.982 4.733 0.961 1.00 42.05 H new ATOM 0 HD12 LEU A 22 -15.763 3.820 0.041 1.00 42.05 H new ATOM 0 HD13 LEU A 22 -15.517 5.552 0.369 1.00 42.05 H new ATOM 0 HD21 LEU A 22 -18.489 6.267 -0.113 1.00 34.14 H new ATOM 0 HD22 LEU A 22 -17.191 7.254 -0.826 1.00 34.14 H new ATOM 0 HD23 LEU A 22 -18.445 6.544 -1.870 1.00 34.14 H new ATOM 377 N ILE A 23 -13.199 6.226 -1.352 1.00 2.50 N ATOM 378 CA ILE A 23 -12.168 6.474 -0.348 1.00 0.54 C ATOM 379 C ILE A 23 -11.636 7.903 -0.517 1.00 13.40 C ATOM 380 O ILE A 23 -11.435 8.584 0.487 1.00 20.42 O ATOM 381 CB ILE A 23 -11.076 5.368 -0.405 1.00 3.40 C ATOM 382 CG1 ILE A 23 -11.301 4.286 0.674 1.00 35.31 C ATOM 383 CG2 ILE A 23 -9.646 5.890 -0.211 1.00 64.31 C ATOM 384 CD1 ILE A 23 -12.568 3.451 0.481 1.00 20.44 C ATOM 0 H ILE A 23 -12.976 5.455 -1.982 1.00 2.50 H new ATOM 0 HA ILE A 23 -12.582 6.413 0.659 1.00 0.54 H new ATOM 0 HB ILE A 23 -11.174 4.959 -1.410 1.00 3.40 H new ATOM 0 HG12 ILE A 23 -10.439 3.618 0.686 1.00 35.31 H new ATOM 0 HG13 ILE A 23 -11.344 4.768 1.651 1.00 35.31 H new ATOM 0 HG21 ILE A 23 -8.944 5.057 -0.264 1.00 64.31 H new ATOM 0 HG22 ILE A 23 -9.413 6.612 -0.994 1.00 64.31 H new ATOM 0 HG23 ILE A 23 -9.564 6.372 0.763 1.00 64.31 H new ATOM 0 HD11 ILE A 23 -12.646 2.717 1.283 1.00 20.44 H new ATOM 0 HD12 ILE A 23 -13.441 4.104 0.501 1.00 20.44 H new ATOM 0 HD13 ILE A 23 -12.522 2.936 -0.479 1.00 20.44 H new ATOM 396 N ARG A 24 -11.434 8.387 -1.749 1.00 62.41 N ATOM 397 CA ARG A 24 -10.933 9.736 -2.006 1.00 32.31 C ATOM 398 C ARG A 24 -11.895 10.800 -1.517 1.00 54.21 C ATOM 399 O ARG A 24 -11.454 11.860 -1.098 1.00 41.35 O ATOM 400 CB ARG A 24 -10.632 9.970 -3.498 1.00 61.32 C ATOM 401 CG ARG A 24 -9.555 9.060 -4.124 1.00 24.34 C ATOM 402 CD ARG A 24 -8.343 9.821 -4.666 1.00 15.23 C ATOM 403 NE ARG A 24 -7.526 10.342 -3.561 1.00 44.12 N ATOM 404 CZ ARG A 24 -7.128 11.600 -3.360 1.00 51.43 C ATOM 405 NH1 ARG A 24 -7.252 12.509 -4.322 1.00 23.43 N ATOM 406 NH2 ARG A 24 -6.630 11.939 -2.173 1.00 55.13 N ATOM 0 H ARG A 24 -11.615 7.849 -2.596 1.00 62.41 H new ATOM 0 HA ARG A 24 -10.002 9.818 -1.446 1.00 32.31 H new ATOM 0 HB2 ARG A 24 -11.558 9.842 -4.059 1.00 61.32 H new ATOM 0 HB3 ARG A 24 -10.322 11.007 -3.627 1.00 61.32 H new ATOM 0 HG2 ARG A 24 -9.217 8.344 -3.375 1.00 24.34 H new ATOM 0 HG3 ARG A 24 -10.004 8.486 -4.934 1.00 24.34 H new ATOM 0 HD2 ARG A 24 -7.741 9.161 -5.291 1.00 15.23 H new ATOM 0 HD3 ARG A 24 -8.676 10.643 -5.299 1.00 15.23 H new ATOM 0 HE ARG A 24 -7.227 9.660 -2.864 1.00 44.12 H new ATOM 0 HH11 ARG A 24 -7.654 12.247 -5.222 1.00 23.43 H new ATOM 0 HH12 ARG A 24 -6.945 13.468 -4.160 1.00 23.43 H new ATOM 0 HH21 ARG A 24 -6.557 11.241 -1.433 1.00 55.13 H new ATOM 0 HH22 ARG A 24 -6.322 12.896 -2.004 1.00 55.13 H new ATOM 420 N GLU A 25 -13.194 10.538 -1.543 1.00 62.23 N ATOM 421 CA GLU A 25 -14.182 11.505 -1.108 1.00 75.05 C ATOM 422 C GLU A 25 -14.224 11.587 0.413 1.00 71.15 C ATOM 423 O GLU A 25 -14.158 12.684 0.978 1.00 71.33 O ATOM 424 CB GLU A 25 -15.531 11.099 -1.689 1.00 35.13 C ATOM 425 CG GLU A 25 -16.624 12.116 -1.369 1.00 34.21 C ATOM 426 CD GLU A 25 -17.993 11.623 -1.814 1.00 62.22 C ATOM 427 OE1 GLU A 25 -18.102 11.094 -2.950 1.00 0.10 O ATOM 428 OE2 GLU A 25 -18.938 11.811 -1.011 1.00 41.15 O ATOM 0 H GLU A 25 -13.587 9.654 -1.865 1.00 62.23 H new ATOM 0 HA GLU A 25 -13.920 12.501 -1.466 1.00 75.05 H new ATOM 0 HB2 GLU A 25 -15.442 10.991 -2.770 1.00 35.13 H new ATOM 0 HB3 GLU A 25 -15.817 10.124 -1.294 1.00 35.13 H new ATOM 0 HG2 GLU A 25 -16.638 12.312 -0.297 1.00 34.21 H new ATOM 0 HG3 GLU A 25 -16.399 13.061 -1.863 1.00 34.21 H new ATOM 435 N GLN A 26 -14.334 10.436 1.085 1.00 14.14 N ATOM 436 CA GLN A 26 -14.392 10.431 2.538 1.00 13.41 C ATOM 437 C GLN A 26 -13.035 10.779 3.153 1.00 12.10 C ATOM 438 O GLN A 26 -13.012 11.435 4.198 1.00 20.11 O ATOM 439 CB GLN A 26 -14.975 9.116 3.077 1.00 11.23 C ATOM 440 CG GLN A 26 -14.093 7.877 2.890 1.00 73.35 C ATOM 441 CD GLN A 26 -14.699 6.642 3.560 1.00 23.43 C ATOM 442 OE1 GLN A 26 -14.164 6.148 4.549 1.00 54.31 O ATOM 443 NE2 GLN A 26 -15.834 6.143 3.099 1.00 4.00 N ATOM 0 H GLN A 26 -14.383 9.515 0.650 1.00 14.14 H new ATOM 0 HA GLN A 26 -15.080 11.217 2.848 1.00 13.41 H new ATOM 0 HB2 GLN A 26 -15.178 9.238 4.141 1.00 11.23 H new ATOM 0 HB3 GLN A 26 -15.932 8.936 2.588 1.00 11.23 H new ATOM 0 HG2 GLN A 26 -13.958 7.684 1.826 1.00 73.35 H new ATOM 0 HG3 GLN A 26 -13.104 8.068 3.307 1.00 73.35 H new ATOM 0 HE21 GLN A 26 -16.276 6.555 2.277 1.00 4.00 H new ATOM 0 HE22 GLN A 26 -16.267 5.346 3.565 1.00 4.00 H new ATOM 452 N HIS A 27 -11.924 10.413 2.505 1.00 22.34 N ATOM 453 CA HIS A 27 -10.571 10.670 2.989 1.00 41.41 C ATOM 454 C HIS A 27 -9.667 11.239 1.873 1.00 4.34 C ATOM 455 O HIS A 27 -8.751 10.555 1.401 1.00 71.31 O ATOM 456 CB HIS A 27 -9.978 9.399 3.633 1.00 55.13 C ATOM 457 CG HIS A 27 -10.653 8.933 4.904 1.00 22.20 C ATOM 458 ND1 HIS A 27 -10.746 9.640 6.085 1.00 75.14 N ATOM 459 CD2 HIS A 27 -11.172 7.686 5.134 1.00 54.22 C ATOM 460 CE1 HIS A 27 -11.323 8.845 6.999 1.00 33.32 C ATOM 461 NE2 HIS A 27 -11.597 7.638 6.470 1.00 71.55 N ATOM 0 H HIS A 27 -11.945 9.920 1.612 1.00 22.34 H new ATOM 0 HA HIS A 27 -10.623 11.437 3.762 1.00 41.41 H new ATOM 0 HB2 HIS A 27 -10.020 8.590 2.903 1.00 55.13 H new ATOM 0 HB3 HIS A 27 -8.925 9.580 3.848 1.00 55.13 H new ATOM 0 HD2 HIS A 27 -11.242 6.883 4.415 1.00 54.22 H new ATOM 0 HE1 HIS A 27 -11.538 9.133 8.017 1.00 33.32 H new ATOM 0 HE2 HIS A 27 -12.028 6.846 6.946 1.00 71.55 H new ATOM 469 N PRO A 28 -9.861 12.501 1.446 1.00 11.31 N ATOM 470 CA PRO A 28 -9.043 13.130 0.405 1.00 43.41 C ATOM 471 C PRO A 28 -7.664 13.534 0.944 1.00 71.23 C ATOM 472 O PRO A 28 -6.734 13.772 0.175 1.00 21.43 O ATOM 473 CB PRO A 28 -9.824 14.374 -0.027 1.00 11.54 C ATOM 474 CG PRO A 28 -10.581 14.770 1.240 1.00 1.22 C ATOM 475 CD PRO A 28 -10.885 13.426 1.901 1.00 75.24 C ATOM 0 HA PRO A 28 -8.863 12.444 -0.422 1.00 43.41 H new ATOM 0 HB2 PRO A 28 -9.159 15.170 -0.364 1.00 11.54 H new ATOM 0 HB3 PRO A 28 -10.504 14.156 -0.851 1.00 11.54 H new ATOM 0 HG2 PRO A 28 -9.979 15.409 1.886 1.00 1.22 H new ATOM 0 HG3 PRO A 28 -11.493 15.320 1.009 1.00 1.22 H new ATOM 0 HD2 PRO A 28 -10.871 13.516 2.987 1.00 75.24 H new ATOM 0 HD3 PRO A 28 -11.878 13.073 1.623 1.00 75.24 H new ATOM 483 N THR A 29 -7.511 13.528 2.265 1.00 43.40 N ATOM 484 CA THR A 29 -6.339 13.874 3.057 1.00 15.41 C ATOM 485 C THR A 29 -5.422 12.662 3.276 1.00 22.13 C ATOM 486 O THR A 29 -4.418 12.731 3.995 1.00 40.53 O ATOM 487 CB THR A 29 -6.900 14.387 4.395 1.00 22.45 C ATOM 488 OG1 THR A 29 -7.951 13.526 4.821 1.00 40.43 O ATOM 489 CG2 THR A 29 -7.463 15.797 4.229 1.00 21.41 C ATOM 0 H THR A 29 -8.286 13.252 2.867 1.00 43.40 H new ATOM 0 HA THR A 29 -5.724 14.620 2.554 1.00 15.41 H new ATOM 0 HB THR A 29 -6.096 14.403 5.131 1.00 22.45 H new ATOM 0 HG1 THR A 29 -8.311 13.847 5.674 1.00 40.43 H new ATOM 0 HG21 THR A 29 -7.856 16.146 5.184 1.00 21.41 H new ATOM 0 HG22 THR A 29 -6.671 16.468 3.895 1.00 21.41 H new ATOM 0 HG23 THR A 29 -8.264 15.784 3.490 1.00 21.41 H new ATOM 497 N LYS A 30 -5.792 11.525 2.684 1.00 71.31 N ATOM 498 CA LYS A 30 -5.098 10.251 2.679 1.00 73.30 C ATOM 499 C LYS A 30 -4.941 9.939 1.190 1.00 12.51 C ATOM 500 O LYS A 30 -5.683 10.461 0.354 1.00 53.12 O ATOM 501 CB LYS A 30 -5.864 9.157 3.467 1.00 3.24 C ATOM 502 CG LYS A 30 -5.848 9.336 5.007 1.00 12.13 C ATOM 503 CD LYS A 30 -4.425 9.494 5.577 1.00 11.41 C ATOM 504 CE LYS A 30 -4.136 8.927 6.978 1.00 34.35 C ATOM 505 NZ LYS A 30 -4.864 9.570 8.093 1.00 61.10 N ATOM 0 H LYS A 30 -6.661 11.476 2.152 1.00 71.31 H new ATOM 0 HA LYS A 30 -4.136 10.286 3.190 1.00 73.30 H new ATOM 0 HB2 LYS A 30 -6.900 9.142 3.127 1.00 3.24 H new ATOM 0 HB3 LYS A 30 -5.435 8.185 3.223 1.00 3.24 H new ATOM 0 HG2 LYS A 30 -6.440 10.212 5.272 1.00 12.13 H new ATOM 0 HG3 LYS A 30 -6.327 8.475 5.473 1.00 12.13 H new ATOM 0 HD2 LYS A 30 -3.732 9.024 4.878 1.00 11.41 H new ATOM 0 HD3 LYS A 30 -4.189 10.558 5.593 1.00 11.41 H new ATOM 0 HE2 LYS A 30 -4.377 7.864 6.976 1.00 34.35 H new ATOM 0 HE3 LYS A 30 -3.066 9.011 7.170 1.00 34.35 H new ATOM 0 HZ1 LYS A 30 -5.157 8.846 8.780 1.00 61.10 H new ATOM 0 HZ2 LYS A 30 -4.243 10.260 8.561 1.00 61.10 H new ATOM 0 HZ3 LYS A 30 -5.705 10.057 7.723 1.00 61.10 H new ATOM 519 N ILE A 31 -3.999 9.075 0.851 1.00 41.22 N ATOM 520 CA ILE A 31 -3.692 8.665 -0.504 1.00 55.52 C ATOM 521 C ILE A 31 -3.830 7.142 -0.551 1.00 32.01 C ATOM 522 O ILE A 31 -3.309 6.468 0.347 1.00 22.14 O ATOM 523 CB ILE A 31 -2.301 9.209 -0.894 1.00 34.04 C ATOM 524 CG1 ILE A 31 -2.280 10.756 -0.956 1.00 14.25 C ATOM 525 CG2 ILE A 31 -1.803 8.625 -2.218 1.00 64.31 C ATOM 526 CD1 ILE A 31 -3.083 11.360 -2.118 1.00 15.22 C ATOM 0 H ILE A 31 -3.403 8.622 1.544 1.00 41.22 H new ATOM 0 HA ILE A 31 -4.375 9.076 -1.248 1.00 55.52 H new ATOM 0 HB ILE A 31 -1.621 8.888 -0.105 1.00 34.04 H new ATOM 0 HG12 ILE A 31 -2.671 11.150 -0.018 1.00 14.25 H new ATOM 0 HG13 ILE A 31 -1.245 11.089 -1.035 1.00 14.25 H new ATOM 0 HG21 ILE A 31 -0.821 9.037 -2.451 1.00 64.31 H new ATOM 0 HG22 ILE A 31 -1.731 7.541 -2.133 1.00 64.31 H new ATOM 0 HG23 ILE A 31 -2.502 8.881 -3.014 1.00 64.31 H new ATOM 0 HD11 ILE A 31 -3.012 12.447 -2.083 1.00 15.22 H new ATOM 0 HD12 ILE A 31 -2.680 11.000 -3.065 1.00 15.22 H new ATOM 0 HD13 ILE A 31 -4.128 11.062 -2.032 1.00 15.22 H new ATOM 538 N PRO A 32 -4.540 6.594 -1.557 1.00 72.41 N ATOM 539 CA PRO A 32 -4.756 5.165 -1.713 1.00 31.21 C ATOM 540 C PRO A 32 -3.550 4.501 -2.408 1.00 74.41 C ATOM 541 O PRO A 32 -3.344 4.642 -3.620 1.00 33.21 O ATOM 542 CB PRO A 32 -6.068 5.084 -2.507 1.00 13.23 C ATOM 543 CG PRO A 32 -6.032 6.312 -3.419 1.00 61.11 C ATOM 544 CD PRO A 32 -5.205 7.323 -2.638 1.00 75.04 C ATOM 0 HA PRO A 32 -4.839 4.619 -0.773 1.00 31.21 H new ATOM 0 HB2 PRO A 32 -6.128 4.161 -3.084 1.00 13.23 H new ATOM 0 HB3 PRO A 32 -6.935 5.104 -1.847 1.00 13.23 H new ATOM 0 HG2 PRO A 32 -5.576 6.081 -4.382 1.00 61.11 H new ATOM 0 HG3 PRO A 32 -7.035 6.688 -3.623 1.00 61.11 H new ATOM 0 HD2 PRO A 32 -4.472 7.803 -3.286 1.00 75.04 H new ATOM 0 HD3 PRO A 32 -5.841 8.112 -2.236 1.00 75.04 H new ATOM 552 N VAL A 33 -2.764 3.737 -1.645 1.00 55.11 N ATOM 553 CA VAL A 33 -1.582 3.034 -2.153 1.00 64.14 C ATOM 554 C VAL A 33 -1.696 1.537 -1.821 1.00 60.15 C ATOM 555 O VAL A 33 -2.317 1.170 -0.815 1.00 34.30 O ATOM 556 CB VAL A 33 -0.316 3.698 -1.566 1.00 0.21 C ATOM 557 CG1 VAL A 33 -0.405 4.004 -0.064 1.00 13.54 C ATOM 558 CG2 VAL A 33 0.973 2.901 -1.797 1.00 11.23 C ATOM 0 H VAL A 33 -2.931 3.587 -0.650 1.00 55.11 H new ATOM 0 HA VAL A 33 -1.512 3.108 -3.238 1.00 64.14 H new ATOM 0 HB VAL A 33 -0.271 4.633 -2.124 1.00 0.21 H new ATOM 0 HG11 VAL A 33 0.523 4.468 0.268 1.00 13.54 H new ATOM 0 HG12 VAL A 33 -1.237 4.684 0.120 1.00 13.54 H new ATOM 0 HG13 VAL A 33 -0.565 3.077 0.487 1.00 13.54 H new ATOM 0 HG21 VAL A 33 1.815 3.434 -1.355 1.00 11.23 H new ATOM 0 HG22 VAL A 33 0.882 1.919 -1.333 1.00 11.23 H new ATOM 0 HG23 VAL A 33 1.140 2.782 -2.867 1.00 11.23 H new ATOM 568 N ILE A 34 -1.116 0.682 -2.661 1.00 15.40 N ATOM 569 CA ILE A 34 -1.058 -0.767 -2.549 1.00 0.40 C ATOM 570 C ILE A 34 0.403 -1.086 -2.253 1.00 34.11 C ATOM 571 O ILE A 34 1.291 -0.558 -2.917 1.00 23.00 O ATOM 572 CB ILE A 34 -1.542 -1.450 -3.853 1.00 72.34 C ATOM 573 CG1 ILE A 34 -3.076 -1.408 -3.990 1.00 33.03 C ATOM 574 CG2 ILE A 34 -1.046 -2.904 -4.016 1.00 15.43 C ATOM 575 CD1 ILE A 34 -3.844 -2.261 -2.965 1.00 41.35 C ATOM 0 H ILE A 34 -0.639 1.013 -3.500 1.00 15.40 H new ATOM 0 HA ILE A 34 -1.715 -1.142 -1.764 1.00 0.40 H new ATOM 0 HB ILE A 34 -1.093 -0.864 -4.655 1.00 72.34 H new ATOM 0 HG12 ILE A 34 -3.406 -0.373 -3.899 1.00 33.03 H new ATOM 0 HG13 ILE A 34 -3.346 -1.741 -4.992 1.00 33.03 H new ATOM 0 HG21 ILE A 34 -1.425 -3.315 -4.952 1.00 15.43 H new ATOM 0 HG22 ILE A 34 0.044 -2.917 -4.029 1.00 15.43 H new ATOM 0 HG23 ILE A 34 -1.406 -3.507 -3.182 1.00 15.43 H new ATOM 0 HD11 ILE A 34 -4.915 -2.166 -3.143 1.00 41.35 H new ATOM 0 HD12 ILE A 34 -3.550 -3.306 -3.068 1.00 41.35 H new ATOM 0 HD13 ILE A 34 -3.611 -1.916 -1.957 1.00 41.35 H new ATOM 587 N ILE A 35 0.651 -1.943 -1.266 1.00 72.33 N ATOM 588 CA ILE A 35 1.977 -2.371 -0.860 1.00 72.23 C ATOM 589 C ILE A 35 1.923 -3.896 -0.905 1.00 23.40 C ATOM 590 O ILE A 35 1.255 -4.529 -0.080 1.00 42.52 O ATOM 591 CB ILE A 35 2.346 -1.789 0.529 1.00 3.40 C ATOM 592 CG1 ILE A 35 2.278 -0.240 0.518 1.00 33.13 C ATOM 593 CG2 ILE A 35 3.750 -2.271 0.942 1.00 0.21 C ATOM 594 CD1 ILE A 35 2.687 0.440 1.832 1.00 51.34 C ATOM 0 H ILE A 35 -0.092 -2.369 -0.712 1.00 72.33 H new ATOM 0 HA ILE A 35 2.769 -2.005 -1.513 1.00 72.23 H new ATOM 0 HB ILE A 35 1.621 -2.147 1.260 1.00 3.40 H new ATOM 0 HG12 ILE A 35 2.921 0.131 -0.280 1.00 33.13 H new ATOM 0 HG13 ILE A 35 1.260 0.062 0.273 1.00 33.13 H new ATOM 0 HG21 ILE A 35 4.004 -1.859 1.919 1.00 0.21 H new ATOM 0 HG22 ILE A 35 3.760 -3.360 0.994 1.00 0.21 H new ATOM 0 HG23 ILE A 35 4.481 -1.936 0.206 1.00 0.21 H new ATOM 0 HD11 ILE A 35 2.606 1.521 1.723 1.00 51.34 H new ATOM 0 HD12 ILE A 35 2.029 0.106 2.635 1.00 51.34 H new ATOM 0 HD13 ILE A 35 3.717 0.176 2.073 1.00 51.34 H new ATOM 606 N GLU A 36 2.630 -4.494 -1.864 1.00 0.13 N ATOM 607 CA GLU A 36 2.685 -5.941 -2.032 1.00 20.14 C ATOM 608 C GLU A 36 4.141 -6.402 -1.908 1.00 21.03 C ATOM 609 O GLU A 36 5.076 -5.673 -2.249 1.00 72.01 O ATOM 610 CB GLU A 36 2.057 -6.304 -3.389 1.00 2.24 C ATOM 611 CG GLU A 36 1.736 -7.796 -3.577 1.00 32.31 C ATOM 612 CD GLU A 36 0.442 -8.246 -2.889 1.00 62.31 C ATOM 613 OE1 GLU A 36 0.394 -8.247 -1.637 1.00 2.41 O ATOM 614 OE2 GLU A 36 -0.496 -8.677 -3.614 1.00 42.25 O ATOM 0 H GLU A 36 3.184 -3.981 -2.550 1.00 0.13 H new ATOM 0 HA GLU A 36 2.116 -6.456 -1.258 1.00 20.14 H new ATOM 0 HB2 GLU A 36 1.138 -5.732 -3.512 1.00 2.24 H new ATOM 0 HB3 GLU A 36 2.736 -5.991 -4.182 1.00 2.24 H new ATOM 0 HG2 GLU A 36 1.662 -8.010 -4.643 1.00 32.31 H new ATOM 0 HG3 GLU A 36 2.566 -8.387 -3.190 1.00 32.31 H new ATOM 621 N ARG A 37 4.358 -7.602 -1.369 1.00 75.15 N ATOM 622 CA ARG A 37 5.698 -8.151 -1.223 1.00 14.33 C ATOM 623 C ARG A 37 6.131 -8.606 -2.609 1.00 53.22 C ATOM 624 O ARG A 37 5.345 -9.274 -3.289 1.00 74.22 O ATOM 625 CB ARG A 37 5.653 -9.329 -0.238 1.00 63.45 C ATOM 626 CG ARG A 37 7.061 -9.901 0.027 1.00 4.34 C ATOM 627 CD ARG A 37 7.079 -11.422 0.203 1.00 54.23 C ATOM 628 NE ARG A 37 6.497 -12.084 -0.978 1.00 11.34 N ATOM 629 CZ ARG A 37 6.350 -13.397 -1.161 1.00 62.12 C ATOM 630 NH1 ARG A 37 6.827 -14.270 -0.280 1.00 64.01 N ATOM 631 NH2 ARG A 37 5.695 -13.836 -2.228 1.00 0.40 N ATOM 0 H ARG A 37 3.616 -8.212 -1.026 1.00 75.15 H new ATOM 0 HA ARG A 37 6.405 -7.420 -0.830 1.00 14.33 H new ATOM 0 HB2 ARG A 37 5.210 -9.001 0.702 1.00 63.45 H new ATOM 0 HB3 ARG A 37 5.010 -10.113 -0.637 1.00 63.45 H new ATOM 0 HG2 ARG A 37 7.716 -9.631 -0.801 1.00 4.34 H new ATOM 0 HG3 ARG A 37 7.471 -9.435 0.923 1.00 4.34 H new ATOM 0 HD2 ARG A 37 8.103 -11.765 0.352 1.00 54.23 H new ATOM 0 HD3 ARG A 37 6.517 -11.698 1.096 1.00 54.23 H new ATOM 0 HE ARG A 37 6.174 -11.477 -1.731 1.00 11.34 H new ATOM 0 HH11 ARG A 37 7.315 -13.940 0.553 1.00 64.01 H new ATOM 0 HH12 ARG A 37 6.705 -15.271 -0.436 1.00 64.01 H new ATOM 0 HH21 ARG A 37 5.310 -13.171 -2.899 1.00 0.40 H new ATOM 0 HH22 ARG A 37 5.577 -14.838 -2.377 1.00 0.40 H new ATOM 645 N TYR A 38 7.348 -8.275 -3.043 1.00 60.22 N ATOM 646 CA TYR A 38 7.833 -8.690 -4.349 1.00 40.44 C ATOM 647 C TYR A 38 7.746 -10.204 -4.484 1.00 51.41 C ATOM 648 O TYR A 38 8.026 -10.924 -3.526 1.00 75.14 O ATOM 649 CB TYR A 38 9.271 -8.210 -4.558 1.00 22.03 C ATOM 650 CG TYR A 38 9.869 -8.567 -5.901 1.00 43.34 C ATOM 651 CD1 TYR A 38 9.191 -8.247 -7.095 1.00 22.32 C ATOM 652 CD2 TYR A 38 11.126 -9.199 -5.957 1.00 13.23 C ATOM 653 CE1 TYR A 38 9.764 -8.559 -8.338 1.00 41.43 C ATOM 654 CE2 TYR A 38 11.711 -9.495 -7.198 1.00 64.15 C ATOM 655 CZ TYR A 38 11.036 -9.170 -8.393 1.00 13.22 C ATOM 656 OH TYR A 38 11.607 -9.463 -9.589 1.00 61.22 O ATOM 0 H TYR A 38 8.013 -7.720 -2.504 1.00 60.22 H new ATOM 0 HA TYR A 38 7.206 -8.239 -5.118 1.00 40.44 H new ATOM 0 HB2 TYR A 38 9.299 -7.127 -4.440 1.00 22.03 H new ATOM 0 HB3 TYR A 38 9.898 -8.632 -3.773 1.00 22.03 H new ATOM 0 HD1 TYR A 38 8.228 -7.760 -7.053 1.00 22.32 H new ATOM 0 HD2 TYR A 38 11.641 -9.456 -5.043 1.00 13.23 H new ATOM 0 HE1 TYR A 38 9.233 -8.332 -9.251 1.00 41.43 H new ATOM 0 HE2 TYR A 38 12.679 -9.972 -7.238 1.00 64.15 H new ATOM 0 HH TYR A 38 12.482 -9.879 -9.441 1.00 61.22 H new ATOM 666 N LYS A 39 7.391 -10.708 -5.669 1.00 72.03 N ATOM 667 CA LYS A 39 7.303 -12.154 -5.858 1.00 12.10 C ATOM 668 C LYS A 39 8.658 -12.825 -5.682 1.00 2.30 C ATOM 669 O LYS A 39 8.707 -14.000 -5.330 1.00 64.13 O ATOM 670 CB LYS A 39 6.654 -12.511 -7.201 1.00 33.33 C ATOM 671 CG LYS A 39 7.431 -11.992 -8.425 1.00 71.45 C ATOM 672 CD LYS A 39 6.804 -12.435 -9.754 1.00 22.40 C ATOM 673 CE LYS A 39 5.334 -12.014 -9.853 1.00 33.04 C ATOM 674 NZ LYS A 39 4.707 -12.442 -11.113 1.00 54.15 N ATOM 0 H LYS A 39 7.165 -10.150 -6.492 1.00 72.03 H new ATOM 0 HA LYS A 39 6.651 -12.545 -5.077 1.00 12.10 H new ATOM 0 HB2 LYS A 39 6.563 -13.595 -7.273 1.00 33.33 H new ATOM 0 HB3 LYS A 39 5.643 -12.104 -7.225 1.00 33.33 H new ATOM 0 HG2 LYS A 39 7.470 -10.903 -8.391 1.00 71.45 H new ATOM 0 HG3 LYS A 39 8.460 -12.349 -8.376 1.00 71.45 H new ATOM 0 HD2 LYS A 39 7.364 -12.002 -10.583 1.00 22.40 H new ATOM 0 HD3 LYS A 39 6.880 -13.518 -9.850 1.00 22.40 H new ATOM 0 HE2 LYS A 39 4.781 -12.437 -9.014 1.00 33.04 H new ATOM 0 HE3 LYS A 39 5.264 -10.930 -9.766 1.00 33.04 H new ATOM 0 HZ1 LYS A 39 3.714 -12.133 -11.129 1.00 54.15 H new ATOM 0 HZ2 LYS A 39 5.215 -12.018 -11.915 1.00 54.15 H new ATOM 0 HZ3 LYS A 39 4.748 -13.479 -11.186 1.00 54.15 H new ATOM 688 N GLY A 40 9.752 -12.096 -5.905 1.00 4.50 N ATOM 689 CA GLY A 40 11.086 -12.633 -5.743 1.00 22.24 C ATOM 690 C GLY A 40 11.543 -12.590 -4.286 1.00 42.33 C ATOM 691 O GLY A 40 12.566 -13.199 -3.967 1.00 15.41 O ATOM 0 H GLY A 40 9.729 -11.120 -6.202 1.00 4.50 H new ATOM 0 HA2 GLY A 40 11.109 -13.662 -6.101 1.00 22.24 H new ATOM 0 HA3 GLY A 40 11.783 -12.066 -6.359 1.00 22.24 H new ATOM 695 N GLU A 41 10.828 -11.874 -3.413 1.00 74.13 N ATOM 696 CA GLU A 41 11.144 -11.751 -2.002 1.00 34.41 C ATOM 697 C GLU A 41 10.832 -13.082 -1.308 1.00 0.24 C ATOM 698 O GLU A 41 9.879 -13.778 -1.682 1.00 3.41 O ATOM 699 CB GLU A 41 10.314 -10.607 -1.409 1.00 72.01 C ATOM 700 CG GLU A 41 10.727 -10.185 0.003 1.00 44.22 C ATOM 701 CD GLU A 41 12.246 -10.158 0.174 1.00 1.11 C ATOM 702 OE1 GLU A 41 12.895 -9.188 -0.255 1.00 51.41 O ATOM 703 OE2 GLU A 41 12.767 -11.183 0.665 1.00 71.12 O ATOM 0 H GLU A 41 9.993 -11.354 -3.683 1.00 74.13 H new ATOM 0 HA GLU A 41 12.200 -11.524 -1.856 1.00 34.41 H new ATOM 0 HB2 GLU A 41 10.388 -9.742 -2.069 1.00 72.01 H new ATOM 0 HB3 GLU A 41 9.266 -10.907 -1.392 1.00 72.01 H new ATOM 0 HG2 GLU A 41 10.321 -9.197 0.219 1.00 44.22 H new ATOM 0 HG3 GLU A 41 10.293 -10.874 0.728 1.00 44.22 H new ATOM 710 N LYS A 42 11.670 -13.459 -0.342 1.00 33.40 N ATOM 711 CA LYS A 42 11.573 -14.673 0.466 1.00 75.42 C ATOM 712 C LYS A 42 12.187 -14.498 1.854 1.00 3.13 C ATOM 713 O LYS A 42 11.888 -15.308 2.731 1.00 40.23 O ATOM 714 CB LYS A 42 12.272 -15.856 -0.235 1.00 60.34 C ATOM 715 CG LYS A 42 11.641 -16.352 -1.542 1.00 64.11 C ATOM 716 CD LYS A 42 10.210 -16.883 -1.332 1.00 2.20 C ATOM 717 CE LYS A 42 9.411 -17.084 -2.622 1.00 32.12 C ATOM 718 NZ LYS A 42 9.462 -15.904 -3.505 1.00 42.22 N ATOM 0 H LYS A 42 12.480 -12.893 -0.089 1.00 33.40 H new ATOM 0 HA LYS A 42 10.509 -14.879 0.580 1.00 75.42 H new ATOM 0 HB2 LYS A 42 13.303 -15.568 -0.442 1.00 60.34 H new ATOM 0 HB3 LYS A 42 12.309 -16.692 0.464 1.00 60.34 H new ATOM 0 HG2 LYS A 42 11.622 -15.538 -2.266 1.00 64.11 H new ATOM 0 HG3 LYS A 42 12.261 -17.142 -1.966 1.00 64.11 H new ATOM 0 HD2 LYS A 42 10.263 -17.833 -0.801 1.00 2.20 H new ATOM 0 HD3 LYS A 42 9.669 -16.188 -0.689 1.00 2.20 H new ATOM 0 HE2 LYS A 42 9.800 -17.951 -3.156 1.00 32.12 H new ATOM 0 HE3 LYS A 42 8.373 -17.303 -2.373 1.00 32.12 H new ATOM 0 HZ1 LYS A 42 8.563 -15.817 -4.021 1.00 42.22 H new ATOM 0 HZ2 LYS A 42 9.617 -15.049 -2.933 1.00 42.22 H new ATOM 0 HZ3 LYS A 42 10.242 -16.012 -4.185 1.00 42.22 H new ATOM 732 N GLN A 43 13.100 -13.541 2.056 1.00 63.01 N ATOM 733 CA GLN A 43 13.712 -13.301 3.354 1.00 13.42 C ATOM 734 C GLN A 43 12.814 -12.346 4.134 1.00 44.53 C ATOM 735 O GLN A 43 12.771 -12.447 5.359 1.00 15.43 O ATOM 736 CB GLN A 43 15.156 -12.769 3.253 1.00 14.41 C ATOM 737 CG GLN A 43 15.366 -11.529 2.361 1.00 52.32 C ATOM 738 CD GLN A 43 15.878 -11.841 0.942 1.00 32.30 C ATOM 739 OE1 GLN A 43 15.544 -12.981 0.348 1.00 14.43 O flip ATOM 740 NE2 GLN A 43 16.655 -11.090 0.358 1.00 54.41 N flip ATOM 0 H GLN A 43 13.430 -12.916 1.321 1.00 63.01 H new ATOM 0 HA GLN A 43 13.798 -14.252 3.880 1.00 13.42 H new ATOM 0 HB2 GLN A 43 15.504 -12.530 4.258 1.00 14.41 H new ATOM 0 HB3 GLN A 43 15.791 -13.572 2.878 1.00 14.41 H new ATOM 0 HG2 GLN A 43 14.422 -10.990 2.282 1.00 52.32 H new ATOM 0 HG3 GLN A 43 16.075 -10.861 2.850 1.00 52.32 H new ATOM 0 HE21 GLN A 43 16.931 -10.207 0.788 1.00 54.41 H new ATOM 0 HE22 GLN A 43 17.024 -11.349 -0.557 1.00 54.41 H new ATOM 749 N LEU A 44 12.118 -11.417 3.461 1.00 71.41 N ATOM 750 CA LEU A 44 11.229 -10.493 4.158 1.00 21.32 C ATOM 751 C LEU A 44 9.821 -11.114 4.194 1.00 2.54 C ATOM 752 O LEU A 44 9.446 -11.817 3.248 1.00 43.51 O ATOM 753 CB LEU A 44 11.205 -9.100 3.513 1.00 53.11 C ATOM 754 CG LEU A 44 12.543 -8.342 3.602 1.00 31.22 C ATOM 755 CD1 LEU A 44 12.449 -7.055 2.780 1.00 73.33 C ATOM 756 CD2 LEU A 44 12.903 -7.984 5.052 1.00 54.31 C ATOM 0 H LEU A 44 12.156 -11.291 2.450 1.00 71.41 H new ATOM 0 HA LEU A 44 11.601 -10.343 5.171 1.00 21.32 H new ATOM 0 HB2 LEU A 44 10.927 -9.202 2.464 1.00 53.11 H new ATOM 0 HB3 LEU A 44 10.429 -8.503 3.992 1.00 53.11 H new ATOM 0 HG LEU A 44 13.323 -8.995 3.211 1.00 31.22 H new ATOM 0 HD11 LEU A 44 13.394 -6.515 2.840 1.00 73.33 H new ATOM 0 HD12 LEU A 44 12.238 -7.302 1.740 1.00 73.33 H new ATOM 0 HD13 LEU A 44 11.648 -6.429 3.174 1.00 73.33 H new ATOM 0 HD21 LEU A 44 13.853 -7.451 5.070 1.00 54.31 H new ATOM 0 HD22 LEU A 44 12.123 -7.350 5.475 1.00 54.31 H new ATOM 0 HD23 LEU A 44 12.988 -8.897 5.642 1.00 54.31 H new ATOM 768 N PRO A 45 9.021 -10.845 5.238 1.00 55.11 N ATOM 769 CA PRO A 45 7.675 -11.389 5.377 1.00 54.34 C ATOM 770 C PRO A 45 6.664 -10.587 4.551 1.00 74.13 C ATOM 771 O PRO A 45 6.938 -9.446 4.157 1.00 62.41 O ATOM 772 CB PRO A 45 7.378 -11.278 6.878 1.00 74.14 C ATOM 773 CG PRO A 45 8.122 -10.009 7.286 1.00 44.44 C ATOM 774 CD PRO A 45 9.363 -10.032 6.393 1.00 3.53 C ATOM 0 HA PRO A 45 7.601 -12.414 5.013 1.00 54.34 H new ATOM 0 HB2 PRO A 45 6.308 -11.198 7.072 1.00 74.14 H new ATOM 0 HB3 PRO A 45 7.737 -12.149 7.425 1.00 74.14 H new ATOM 0 HG2 PRO A 45 7.520 -9.116 7.116 1.00 44.44 H new ATOM 0 HG3 PRO A 45 8.386 -10.019 8.343 1.00 44.44 H new ATOM 0 HD2 PRO A 45 9.642 -9.023 6.089 1.00 3.53 H new ATOM 0 HD3 PRO A 45 10.217 -10.452 6.925 1.00 3.53 H new ATOM 782 N VAL A 46 5.490 -11.170 4.291 1.00 21.43 N ATOM 783 CA VAL A 46 4.407 -10.538 3.542 1.00 32.23 C ATOM 784 C VAL A 46 3.764 -9.482 4.458 1.00 14.23 C ATOM 785 O VAL A 46 3.634 -9.691 5.671 1.00 20.03 O ATOM 786 CB VAL A 46 3.401 -11.606 3.053 1.00 64.24 C ATOM 787 CG1 VAL A 46 2.245 -10.977 2.258 1.00 4.44 C ATOM 788 CG2 VAL A 46 4.064 -12.641 2.125 1.00 72.23 C ATOM 0 H VAL A 46 5.264 -12.114 4.603 1.00 21.43 H new ATOM 0 HA VAL A 46 4.777 -10.043 2.644 1.00 32.23 H new ATOM 0 HB VAL A 46 3.030 -12.088 3.958 1.00 64.24 H new ATOM 0 HG11 VAL A 46 1.560 -11.759 1.932 1.00 4.44 H new ATOM 0 HG12 VAL A 46 1.711 -10.268 2.891 1.00 4.44 H new ATOM 0 HG13 VAL A 46 2.643 -10.457 1.387 1.00 4.44 H new ATOM 0 HG21 VAL A 46 3.321 -13.372 1.806 1.00 72.23 H new ATOM 0 HG22 VAL A 46 4.475 -12.136 1.251 1.00 72.23 H new ATOM 0 HG23 VAL A 46 4.866 -13.149 2.661 1.00 72.23 H new ATOM 798 N LEU A 47 3.331 -8.355 3.883 1.00 0.52 N ATOM 799 CA LEU A 47 2.716 -7.253 4.613 1.00 24.04 C ATOM 800 C LEU A 47 1.439 -7.709 5.319 1.00 32.11 C ATOM 801 O LEU A 47 0.783 -8.681 4.950 1.00 3.54 O ATOM 802 CB LEU A 47 2.453 -6.041 3.690 1.00 20.21 C ATOM 803 CG LEU A 47 2.938 -4.662 4.195 1.00 23.40 C ATOM 804 CD1 LEU A 47 2.451 -4.281 5.596 1.00 61.31 C ATOM 805 CD2 LEU A 47 4.464 -4.538 4.191 1.00 20.01 C ATOM 0 H LEU A 47 3.402 -8.185 2.880 1.00 0.52 H new ATOM 0 HA LEU A 47 3.419 -6.927 5.379 1.00 24.04 H new ATOM 0 HB2 LEU A 47 2.928 -6.237 2.729 1.00 20.21 H new ATOM 0 HB3 LEU A 47 1.380 -5.978 3.509 1.00 20.21 H new ATOM 0 HG LEU A 47 2.491 -3.974 3.478 1.00 23.40 H new ATOM 0 HD11 LEU A 47 2.842 -3.299 5.863 1.00 61.31 H new ATOM 0 HD12 LEU A 47 1.361 -4.253 5.607 1.00 61.31 H new ATOM 0 HD13 LEU A 47 2.802 -5.019 6.317 1.00 61.31 H new ATOM 0 HD21 LEU A 47 4.750 -3.551 4.554 1.00 20.01 H new ATOM 0 HD22 LEU A 47 4.893 -5.302 4.840 1.00 20.01 H new ATOM 0 HD23 LEU A 47 4.837 -4.673 3.176 1.00 20.01 H new ATOM 817 N ASP A 48 1.085 -6.948 6.341 1.00 73.44 N ATOM 818 CA ASP A 48 -0.053 -7.111 7.227 1.00 15.32 C ATOM 819 C ASP A 48 -1.395 -6.910 6.525 1.00 63.22 C ATOM 820 O ASP A 48 -2.394 -7.499 6.942 1.00 34.30 O ATOM 821 CB ASP A 48 0.093 -6.064 8.338 1.00 43.15 C ATOM 822 CG ASP A 48 1.323 -6.319 9.200 1.00 33.40 C ATOM 823 OD1 ASP A 48 2.451 -6.091 8.712 1.00 21.12 O ATOM 824 OD2 ASP A 48 1.131 -6.720 10.370 1.00 13.21 O ATOM 0 H ASP A 48 1.637 -6.128 6.593 1.00 73.44 H new ATOM 0 HA ASP A 48 -0.054 -8.132 7.608 1.00 15.32 H new ATOM 0 HB2 ASP A 48 0.160 -5.071 7.894 1.00 43.15 H new ATOM 0 HB3 ASP A 48 -0.798 -6.073 8.965 1.00 43.15 H new ATOM 829 N LYS A 49 -1.437 -6.041 5.516 1.00 2.42 N ATOM 830 CA LYS A 49 -2.586 -5.678 4.689 1.00 41.41 C ATOM 831 C LYS A 49 -2.014 -5.246 3.335 1.00 51.35 C ATOM 832 O LYS A 49 -0.821 -4.949 3.258 1.00 64.32 O ATOM 833 CB LYS A 49 -3.406 -4.555 5.367 1.00 24.31 C ATOM 834 CG LYS A 49 -4.769 -5.055 5.878 1.00 33.31 C ATOM 835 CD LYS A 49 -5.550 -3.927 6.576 1.00 11.04 C ATOM 836 CE LYS A 49 -7.074 -4.099 6.682 1.00 35.41 C ATOM 837 NZ LYS A 49 -7.520 -5.431 7.145 1.00 1.22 N ATOM 0 H LYS A 49 -0.600 -5.531 5.233 1.00 2.42 H new ATOM 0 HA LYS A 49 -3.276 -6.511 4.557 1.00 41.41 H new ATOM 0 HB2 LYS A 49 -2.836 -4.145 6.201 1.00 24.31 H new ATOM 0 HB3 LYS A 49 -3.562 -3.743 4.657 1.00 24.31 H new ATOM 0 HG2 LYS A 49 -5.353 -5.443 5.043 1.00 33.31 H new ATOM 0 HG3 LYS A 49 -4.619 -5.881 6.573 1.00 33.31 H new ATOM 0 HD2 LYS A 49 -5.151 -3.811 7.584 1.00 11.04 H new ATOM 0 HD3 LYS A 49 -5.350 -2.997 6.045 1.00 11.04 H new ATOM 0 HE2 LYS A 49 -7.464 -3.344 7.365 1.00 35.41 H new ATOM 0 HE3 LYS A 49 -7.516 -3.903 5.705 1.00 35.41 H new ATOM 0 HZ1 LYS A 49 -8.559 -5.454 7.186 1.00 1.22 H new ATOM 0 HZ2 LYS A 49 -7.183 -6.159 6.484 1.00 1.22 H new ATOM 0 HZ3 LYS A 49 -7.132 -5.617 8.092 1.00 1.22 H new ATOM 851 N THR A 50 -2.857 -5.024 2.328 1.00 54.14 N ATOM 852 CA THR A 50 -2.396 -4.643 0.995 1.00 2.14 C ATOM 853 C THR A 50 -2.612 -3.154 0.727 1.00 12.31 C ATOM 854 O THR A 50 -1.734 -2.499 0.174 1.00 60.41 O ATOM 855 CB THR A 50 -3.239 -5.416 -0.049 1.00 1.42 C ATOM 856 OG1 THR A 50 -4.613 -5.308 0.295 1.00 23.11 O ATOM 857 CG2 THR A 50 -2.929 -6.905 -0.191 1.00 12.50 C ATOM 0 H THR A 50 -3.871 -5.102 2.412 1.00 54.14 H new ATOM 0 HA THR A 50 -1.332 -4.871 0.928 1.00 2.14 H new ATOM 0 HB THR A 50 -2.984 -4.953 -1.002 1.00 1.42 H new ATOM 0 HG1 THR A 50 -5.154 -5.793 -0.362 1.00 23.11 H new ATOM 0 HG21 THR A 50 -3.579 -7.341 -0.949 1.00 12.50 H new ATOM 0 HG22 THR A 50 -1.888 -7.033 -0.488 1.00 12.50 H new ATOM 0 HG23 THR A 50 -3.098 -7.404 0.763 1.00 12.50 H new ATOM 865 N LYS A 51 -3.748 -2.600 1.150 1.00 13.44 N ATOM 866 CA LYS A 51 -4.140 -1.212 0.936 1.00 44.52 C ATOM 867 C LYS A 51 -3.834 -0.340 2.145 1.00 32.03 C ATOM 868 O LYS A 51 -4.313 -0.636 3.239 1.00 13.54 O ATOM 869 CB LYS A 51 -5.646 -1.146 0.604 1.00 73.22 C ATOM 870 CG LYS A 51 -6.249 -2.410 -0.021 1.00 12.10 C ATOM 871 CD LYS A 51 -7.715 -2.186 -0.389 1.00 44.41 C ATOM 872 CE LYS A 51 -8.445 -3.496 -0.692 1.00 52.55 C ATOM 873 NZ LYS A 51 -8.427 -4.444 0.443 1.00 4.20 N ATOM 0 H LYS A 51 -4.447 -3.129 1.672 1.00 13.44 H new ATOM 0 HA LYS A 51 -3.558 -0.825 0.100 1.00 44.52 H new ATOM 0 HB2 LYS A 51 -6.191 -0.922 1.521 1.00 73.22 H new ATOM 0 HB3 LYS A 51 -5.812 -0.312 -0.078 1.00 73.22 H new ATOM 0 HG2 LYS A 51 -5.684 -2.686 -0.911 1.00 12.10 H new ATOM 0 HG3 LYS A 51 -6.168 -3.242 0.679 1.00 12.10 H new ATOM 0 HD2 LYS A 51 -8.219 -1.673 0.431 1.00 44.41 H new ATOM 0 HD3 LYS A 51 -7.773 -1.531 -1.258 1.00 44.41 H new ATOM 0 HE2 LYS A 51 -9.479 -3.276 -0.958 1.00 52.55 H new ATOM 0 HE3 LYS A 51 -7.986 -3.969 -1.560 1.00 52.55 H new ATOM 0 HZ1 LYS A 51 -9.180 -5.150 0.317 1.00 4.20 H new ATOM 0 HZ2 LYS A 51 -7.505 -4.924 0.480 1.00 4.20 H new ATOM 0 HZ3 LYS A 51 -8.583 -3.926 1.331 1.00 4.20 H new ATOM 887 N PHE A 52 -3.061 0.728 1.964 1.00 34.44 N ATOM 888 CA PHE A 52 -2.702 1.666 3.019 1.00 31.34 C ATOM 889 C PHE A 52 -3.246 3.053 2.648 1.00 72.33 C ATOM 890 O PHE A 52 -3.307 3.412 1.462 1.00 42.24 O ATOM 891 CB PHE A 52 -1.171 1.755 3.172 1.00 4.13 C ATOM 892 CG PHE A 52 -0.534 0.676 4.019 1.00 15.31 C ATOM 893 CD1 PHE A 52 -0.467 -0.651 3.554 1.00 34.32 C ATOM 894 CD2 PHE A 52 -0.023 1.004 5.290 1.00 20.03 C ATOM 895 CE1 PHE A 52 0.066 -1.655 4.379 1.00 11.12 C ATOM 896 CE2 PHE A 52 0.504 -0.002 6.117 1.00 53.21 C ATOM 897 CZ PHE A 52 0.530 -1.333 5.667 1.00 52.24 C ATOM 0 H PHE A 52 -2.659 0.969 1.058 1.00 34.44 H new ATOM 0 HA PHE A 52 -3.129 1.321 3.961 1.00 31.34 H new ATOM 0 HB2 PHE A 52 -0.722 1.724 2.179 1.00 4.13 H new ATOM 0 HB3 PHE A 52 -0.923 2.725 3.604 1.00 4.13 H new ATOM 0 HD1 PHE A 52 -0.825 -0.897 2.565 1.00 34.32 H new ATOM 0 HD2 PHE A 52 -0.036 2.029 5.629 1.00 20.03 H new ATOM 0 HE1 PHE A 52 0.119 -2.674 4.024 1.00 11.12 H new ATOM 0 HE2 PHE A 52 0.888 0.247 7.095 1.00 53.21 H new ATOM 0 HZ PHE A 52 0.908 -2.112 6.313 1.00 52.24 H new ATOM 907 N LEU A 53 -3.637 3.817 3.674 1.00 4.43 N ATOM 908 CA LEU A 53 -4.160 5.184 3.599 1.00 24.30 C ATOM 909 C LEU A 53 -3.022 6.028 4.159 1.00 62.12 C ATOM 910 O LEU A 53 -2.867 6.139 5.379 1.00 61.21 O ATOM 911 CB LEU A 53 -5.442 5.337 4.449 1.00 0.53 C ATOM 912 CG LEU A 53 -6.714 4.824 3.772 1.00 3.24 C ATOM 913 CD1 LEU A 53 -7.795 4.497 4.801 1.00 0.12 C ATOM 914 CD2 LEU A 53 -7.269 5.813 2.765 1.00 12.12 C ATOM 0 H LEU A 53 -3.594 3.477 4.635 1.00 4.43 H new ATOM 0 HA LEU A 53 -4.446 5.476 2.589 1.00 24.30 H new ATOM 0 HB2 LEU A 53 -5.305 4.804 5.390 1.00 0.53 H new ATOM 0 HB3 LEU A 53 -5.576 6.390 4.696 1.00 0.53 H new ATOM 0 HG LEU A 53 -6.430 3.916 3.241 1.00 3.24 H new ATOM 0 HD11 LEU A 53 -8.687 4.135 4.289 1.00 0.12 H new ATOM 0 HD12 LEU A 53 -7.429 3.728 5.481 1.00 0.12 H new ATOM 0 HD13 LEU A 53 -8.041 5.395 5.368 1.00 0.12 H new ATOM 0 HD21 LEU A 53 -8.171 5.403 2.312 1.00 12.12 H new ATOM 0 HD22 LEU A 53 -7.509 6.749 3.269 1.00 12.12 H new ATOM 0 HD23 LEU A 53 -6.526 5.999 1.990 1.00 12.12 H new ATOM 926 N VAL A 54 -2.237 6.660 3.293 1.00 52.13 N ATOM 927 CA VAL A 54 -1.084 7.454 3.733 1.00 72.42 C ATOM 928 C VAL A 54 -1.393 8.950 3.623 1.00 51.32 C ATOM 929 O VAL A 54 -1.968 9.352 2.620 1.00 72.21 O ATOM 930 CB VAL A 54 0.167 6.974 2.973 1.00 73.21 C ATOM 931 CG1 VAL A 54 0.297 5.440 3.085 1.00 62.40 C ATOM 932 CG2 VAL A 54 0.143 7.336 1.497 1.00 71.11 C ATOM 0 H VAL A 54 -2.374 6.641 2.282 1.00 52.13 H new ATOM 0 HA VAL A 54 -0.870 7.302 4.791 1.00 72.42 H new ATOM 0 HB VAL A 54 1.015 7.480 3.435 1.00 73.21 H new ATOM 0 HG11 VAL A 54 1.184 5.110 2.545 1.00 62.40 H new ATOM 0 HG12 VAL A 54 0.385 5.158 4.134 1.00 62.40 H new ATOM 0 HG13 VAL A 54 -0.586 4.968 2.655 1.00 62.40 H new ATOM 0 HG21 VAL A 54 1.051 6.970 1.018 1.00 71.11 H new ATOM 0 HG22 VAL A 54 -0.726 6.879 1.024 1.00 71.11 H new ATOM 0 HG23 VAL A 54 0.087 8.419 1.389 1.00 71.11 H new ATOM 942 N PRO A 55 -1.115 9.781 4.639 1.00 62.03 N ATOM 943 CA PRO A 55 -1.410 11.203 4.585 1.00 74.11 C ATOM 944 C PRO A 55 -0.445 11.943 3.663 1.00 4.23 C ATOM 945 O PRO A 55 0.768 11.750 3.727 1.00 74.00 O ATOM 946 CB PRO A 55 -1.326 11.684 6.027 1.00 24.45 C ATOM 947 CG PRO A 55 -0.308 10.749 6.661 1.00 74.21 C ATOM 948 CD PRO A 55 -0.453 9.445 5.883 1.00 4.31 C ATOM 0 HA PRO A 55 -2.396 11.400 4.164 1.00 74.11 H new ATOM 0 HB2 PRO A 55 -1.004 12.724 6.084 1.00 24.45 H new ATOM 0 HB3 PRO A 55 -2.293 11.622 6.527 1.00 24.45 H new ATOM 0 HG2 PRO A 55 0.703 11.149 6.581 1.00 74.21 H new ATOM 0 HG3 PRO A 55 -0.510 10.603 7.722 1.00 74.21 H new ATOM 0 HD2 PRO A 55 0.522 8.995 5.695 1.00 4.31 H new ATOM 0 HD3 PRO A 55 -1.036 8.718 6.449 1.00 4.31 H new ATOM 956 N ASP A 56 -0.995 12.846 2.857 1.00 42.53 N ATOM 957 CA ASP A 56 -0.263 13.658 1.885 1.00 54.44 C ATOM 958 C ASP A 56 0.783 14.597 2.484 1.00 54.53 C ATOM 959 O ASP A 56 1.714 14.996 1.783 1.00 41.30 O ATOM 960 CB ASP A 56 -1.257 14.462 1.045 1.00 60.42 C ATOM 961 CG ASP A 56 -2.143 15.417 1.836 1.00 40.32 C ATOM 962 OD1 ASP A 56 -1.638 16.370 2.464 1.00 63.20 O ATOM 963 OD2 ASP A 56 -3.381 15.227 1.813 1.00 64.42 O ATOM 0 H ASP A 56 -1.996 13.041 2.861 1.00 42.53 H new ATOM 0 HA ASP A 56 0.299 12.952 1.273 1.00 54.44 H new ATOM 0 HB2 ASP A 56 -0.702 15.036 0.303 1.00 60.42 H new ATOM 0 HB3 ASP A 56 -1.895 13.767 0.499 1.00 60.42 H new ATOM 968 N HIS A 57 0.679 14.941 3.768 1.00 31.41 N ATOM 969 CA HIS A 57 1.652 15.822 4.399 1.00 41.54 C ATOM 970 C HIS A 57 2.919 15.065 4.804 1.00 42.53 C ATOM 971 O HIS A 57 3.915 15.707 5.157 1.00 23.22 O ATOM 972 CB HIS A 57 1.032 16.515 5.620 1.00 63.04 C ATOM 973 CG HIS A 57 0.804 15.633 6.821 1.00 20.02 C ATOM 974 ND1 HIS A 57 1.718 15.344 7.813 1.00 62.32 N ATOM 975 CD2 HIS A 57 -0.380 15.047 7.166 1.00 40.13 C ATOM 976 CE1 HIS A 57 1.103 14.578 8.728 1.00 54.22 C ATOM 977 NE2 HIS A 57 -0.181 14.368 8.375 1.00 42.24 N ATOM 0 H HIS A 57 -0.067 14.623 4.386 1.00 31.41 H new ATOM 0 HA HIS A 57 1.937 16.578 3.667 1.00 41.54 H new ATOM 0 HB2 HIS A 57 1.680 17.341 5.915 1.00 63.04 H new ATOM 0 HB3 HIS A 57 0.077 16.949 5.323 1.00 63.04 H new ATOM 0 HD2 HIS A 57 -1.303 15.098 6.608 1.00 40.13 H new ATOM 0 HE1 HIS A 57 1.570 14.186 9.619 1.00 54.22 H new ATOM 0 HE2 HIS A 57 -0.873 13.821 8.888 1.00 42.24 H new ATOM 985 N VAL A 58 2.900 13.727 4.795 1.00 14.12 N ATOM 986 CA VAL A 58 4.037 12.924 5.198 1.00 60.44 C ATOM 987 C VAL A 58 4.866 12.404 4.022 1.00 24.32 C ATOM 988 O VAL A 58 4.394 12.054 2.941 1.00 11.44 O ATOM 989 CB VAL A 58 3.584 11.886 6.245 1.00 41.10 C ATOM 990 CG1 VAL A 58 3.364 10.480 5.674 1.00 22.05 C ATOM 991 CG2 VAL A 58 4.586 11.877 7.406 1.00 33.35 C ATOM 0 H VAL A 58 2.090 13.179 4.506 1.00 14.12 H new ATOM 0 HA VAL A 58 4.772 13.552 5.702 1.00 60.44 H new ATOM 0 HB VAL A 58 2.601 12.191 6.605 1.00 41.10 H new ATOM 0 HG11 VAL A 58 3.047 9.809 6.472 1.00 22.05 H new ATOM 0 HG12 VAL A 58 2.594 10.517 4.903 1.00 22.05 H new ATOM 0 HG13 VAL A 58 4.294 10.114 5.240 1.00 22.05 H new ATOM 0 HG21 VAL A 58 4.273 11.146 8.151 1.00 33.35 H new ATOM 0 HG22 VAL A 58 5.575 11.613 7.031 1.00 33.35 H new ATOM 0 HG23 VAL A 58 4.623 12.866 7.862 1.00 33.35 H new ATOM 1001 N ASN A 59 6.162 12.360 4.281 1.00 44.12 N ATOM 1002 CA ASN A 59 7.247 11.931 3.417 1.00 74.00 C ATOM 1003 C ASN A 59 7.412 10.415 3.437 1.00 21.25 C ATOM 1004 O ASN A 59 6.967 9.685 4.343 1.00 2.12 O ATOM 1005 CB ASN A 59 8.553 12.595 3.889 1.00 23.31 C ATOM 1006 CG ASN A 59 8.663 12.540 5.414 1.00 51.20 C ATOM 1007 OD1 ASN A 59 7.995 13.286 6.133 1.00 60.42 O ATOM 1008 ND2 ASN A 59 9.394 11.591 5.960 1.00 74.11 N ATOM 0 H ASN A 59 6.514 12.653 5.192 1.00 44.12 H new ATOM 0 HA ASN A 59 7.013 12.229 2.395 1.00 74.00 H new ATOM 0 HB2 ASN A 59 9.408 12.090 3.439 1.00 23.31 H new ATOM 0 HB3 ASN A 59 8.582 13.632 3.554 1.00 23.31 H new ATOM 0 HD21 ASN A 59 9.406 11.476 6.973 1.00 74.11 H new ATOM 0 HD22 ASN A 59 9.949 10.971 5.370 1.00 74.11 H new ATOM 1015 N MET A 60 8.148 9.944 2.432 1.00 22.31 N ATOM 1016 CA MET A 60 8.399 8.531 2.281 1.00 75.12 C ATOM 1017 C MET A 60 9.193 7.929 3.420 1.00 73.11 C ATOM 1018 O MET A 60 8.863 6.812 3.807 1.00 40.53 O ATOM 1019 CB MET A 60 9.063 8.244 0.924 1.00 31.31 C ATOM 1020 CG MET A 60 8.060 8.170 -0.231 1.00 74.31 C ATOM 1021 SD MET A 60 7.876 6.516 -0.959 1.00 71.33 S ATOM 1022 CE MET A 60 7.376 5.582 0.506 1.00 54.24 C ATOM 0 H MET A 60 8.577 10.529 1.715 1.00 22.31 H new ATOM 0 HA MET A 60 7.426 8.040 2.312 1.00 75.12 H new ATOM 0 HB2 MET A 60 9.795 9.023 0.712 1.00 31.31 H new ATOM 0 HB3 MET A 60 9.608 7.302 0.985 1.00 31.31 H new ATOM 0 HG2 MET A 60 7.087 8.507 0.127 1.00 74.31 H new ATOM 0 HG3 MET A 60 8.371 8.865 -1.011 1.00 74.31 H new ATOM 0 HE1 MET A 60 6.664 4.808 0.219 1.00 54.24 H new ATOM 0 HE2 MET A 60 8.253 5.119 0.959 1.00 54.24 H new ATOM 0 HE3 MET A 60 6.909 6.255 1.225 1.00 54.24 H new ATOM 1032 N SER A 61 10.170 8.631 4.005 1.00 73.30 N ATOM 1033 CA SER A 61 10.932 8.063 5.117 1.00 22.11 C ATOM 1034 C SER A 61 9.976 7.585 6.216 1.00 62.01 C ATOM 1035 O SER A 61 10.146 6.501 6.777 1.00 41.11 O ATOM 1036 CB SER A 61 11.980 9.039 5.667 1.00 55.13 C ATOM 1037 OG SER A 61 13.108 8.293 6.067 1.00 1.33 O ATOM 0 H SER A 61 10.446 9.574 3.732 1.00 73.30 H new ATOM 0 HA SER A 61 11.487 7.205 4.738 1.00 22.11 H new ATOM 0 HB2 SER A 61 12.257 9.769 4.906 1.00 55.13 H new ATOM 0 HB3 SER A 61 11.574 9.597 6.511 1.00 55.13 H new ATOM 0 HG SER A 61 13.792 8.899 6.421 1.00 1.33 H new ATOM 1043 N GLU A 62 8.969 8.399 6.519 1.00 42.33 N ATOM 1044 CA GLU A 62 7.978 8.094 7.526 1.00 42.50 C ATOM 1045 C GLU A 62 7.132 6.918 7.075 1.00 72.43 C ATOM 1046 O GLU A 62 6.952 5.994 7.869 1.00 53.50 O ATOM 1047 CB GLU A 62 7.159 9.343 7.801 1.00 40.54 C ATOM 1048 CG GLU A 62 7.995 10.371 8.549 1.00 63.14 C ATOM 1049 CD GLU A 62 8.135 9.987 10.027 1.00 21.02 C ATOM 1050 OE1 GLU A 62 9.068 9.230 10.380 1.00 52.22 O ATOM 1051 OE2 GLU A 62 7.273 10.371 10.845 1.00 60.50 O ATOM 0 H GLU A 62 8.823 9.299 6.062 1.00 42.33 H new ATOM 0 HA GLU A 62 8.451 7.797 8.462 1.00 42.50 H new ATOM 0 HB2 GLU A 62 6.804 9.767 6.862 1.00 40.54 H new ATOM 0 HB3 GLU A 62 6.277 9.086 8.388 1.00 40.54 H new ATOM 0 HG2 GLU A 62 8.982 10.445 8.093 1.00 63.14 H new ATOM 0 HG3 GLU A 62 7.531 11.354 8.466 1.00 63.14 H new ATOM 1058 N LEU A 63 6.644 6.904 5.824 1.00 42.40 N ATOM 1059 CA LEU A 63 5.854 5.745 5.362 1.00 15.35 C ATOM 1060 C LEU A 63 6.675 4.454 5.577 1.00 33.25 C ATOM 1061 O LEU A 63 6.175 3.499 6.189 1.00 42.10 O ATOM 1062 CB LEU A 63 5.347 5.988 3.930 1.00 1.42 C ATOM 1063 CG LEU A 63 4.849 4.785 3.094 1.00 22.05 C ATOM 1064 CD1 LEU A 63 3.943 3.754 3.787 1.00 64.44 C ATOM 1065 CD2 LEU A 63 4.054 5.346 1.907 1.00 44.53 C ATOM 0 H LEU A 63 6.773 7.647 5.137 1.00 42.40 H new ATOM 0 HA LEU A 63 4.947 5.613 5.952 1.00 15.35 H new ATOM 0 HB2 LEU A 63 4.531 6.708 3.988 1.00 1.42 H new ATOM 0 HB3 LEU A 63 6.153 6.464 3.372 1.00 1.42 H new ATOM 0 HG LEU A 63 5.758 4.238 2.842 1.00 22.05 H new ATOM 0 HD11 LEU A 63 3.675 2.971 3.078 1.00 64.44 H new ATOM 0 HD12 LEU A 63 4.473 3.313 4.631 1.00 64.44 H new ATOM 0 HD13 LEU A 63 3.038 4.246 4.144 1.00 64.44 H new ATOM 0 HD21 LEU A 63 3.686 4.523 1.294 1.00 44.53 H new ATOM 0 HD22 LEU A 63 3.210 5.928 2.277 1.00 44.53 H new ATOM 0 HD23 LEU A 63 4.700 5.986 1.306 1.00 44.53 H new ATOM 1077 N ILE A 64 7.950 4.455 5.166 1.00 23.21 N ATOM 1078 CA ILE A 64 8.868 3.328 5.335 1.00 34.14 C ATOM 1079 C ILE A 64 8.880 2.948 6.826 1.00 62.33 C ATOM 1080 O ILE A 64 8.745 1.772 7.169 1.00 52.12 O ATOM 1081 CB ILE A 64 10.287 3.704 4.815 1.00 23.31 C ATOM 1082 CG1 ILE A 64 10.420 3.934 3.292 1.00 12.13 C ATOM 1083 CG2 ILE A 64 11.367 2.693 5.236 1.00 53.54 C ATOM 1084 CD1 ILE A 64 9.660 2.946 2.419 1.00 21.43 C ATOM 0 H ILE A 64 8.377 5.255 4.699 1.00 23.21 H new ATOM 0 HA ILE A 64 8.540 2.468 4.751 1.00 34.14 H new ATOM 0 HB ILE A 64 10.445 4.667 5.300 1.00 23.31 H new ATOM 0 HG12 ILE A 64 10.072 4.941 3.061 1.00 12.13 H new ATOM 0 HG13 ILE A 64 11.476 3.893 3.025 1.00 12.13 H new ATOM 0 HG21 ILE A 64 12.334 3.009 4.844 1.00 53.54 H new ATOM 0 HG22 ILE A 64 11.415 2.644 6.324 1.00 53.54 H new ATOM 0 HG23 ILE A 64 11.119 1.709 4.839 1.00 53.54 H new ATOM 0 HD11 ILE A 64 9.817 3.192 1.369 1.00 21.43 H new ATOM 0 HD12 ILE A 64 10.022 1.936 2.613 1.00 21.43 H new ATOM 0 HD13 ILE A 64 8.596 3.001 2.649 1.00 21.43 H new ATOM 1096 N LYS A 65 9.034 3.925 7.725 1.00 11.15 N ATOM 1097 CA LYS A 65 9.062 3.720 9.170 1.00 41.22 C ATOM 1098 C LYS A 65 7.780 3.061 9.686 1.00 14.31 C ATOM 1099 O LYS A 65 7.898 2.166 10.525 1.00 0.23 O ATOM 1100 CB LYS A 65 9.453 5.041 9.870 1.00 12.13 C ATOM 1101 CG LYS A 65 9.023 5.197 11.339 1.00 54.21 C ATOM 1102 CD LYS A 65 7.618 5.819 11.443 1.00 33.13 C ATOM 1103 CE LYS A 65 7.093 6.133 12.843 1.00 74.20 C ATOM 1104 NZ LYS A 65 7.258 5.032 13.803 1.00 64.43 N ATOM 0 H LYS A 65 9.145 4.903 7.458 1.00 11.15 H new ATOM 0 HA LYS A 65 9.836 2.996 9.426 1.00 41.22 H new ATOM 0 HB2 LYS A 65 10.537 5.145 9.820 1.00 12.13 H new ATOM 0 HB3 LYS A 65 9.027 5.867 9.301 1.00 12.13 H new ATOM 0 HG2 LYS A 65 9.030 4.223 11.828 1.00 54.21 H new ATOM 0 HG3 LYS A 65 9.742 5.824 11.867 1.00 54.21 H new ATOM 0 HD2 LYS A 65 7.615 6.744 10.866 1.00 33.13 H new ATOM 0 HD3 LYS A 65 6.913 5.141 10.962 1.00 33.13 H new ATOM 0 HE2 LYS A 65 7.609 7.014 13.224 1.00 74.20 H new ATOM 0 HE3 LYS A 65 6.035 6.387 12.775 1.00 74.20 H new ATOM 0 HZ1 LYS A 65 6.879 5.319 14.728 1.00 64.43 H new ATOM 0 HZ2 LYS A 65 6.744 4.195 13.463 1.00 64.43 H new ATOM 0 HZ3 LYS A 65 8.268 4.803 13.898 1.00 64.43 H new ATOM 1118 N ILE A 66 6.566 3.434 9.247 1.00 60.12 N ATOM 1119 CA ILE A 66 5.365 2.762 9.772 1.00 52.23 C ATOM 1120 C ILE A 66 5.428 1.302 9.347 1.00 2.31 C ATOM 1121 O ILE A 66 5.102 0.426 10.151 1.00 34.42 O ATOM 1122 CB ILE A 66 4.021 3.453 9.410 1.00 72.14 C ATOM 1123 CG1 ILE A 66 3.746 4.626 10.378 1.00 64.14 C ATOM 1124 CG2 ILE A 66 2.807 2.503 9.519 1.00 31.42 C ATOM 1125 CD1 ILE A 66 4.351 5.926 9.875 1.00 3.04 C ATOM 0 H ILE A 66 6.392 4.166 8.559 1.00 60.12 H new ATOM 0 HA ILE A 66 5.375 2.835 10.859 1.00 52.23 H new ATOM 0 HB ILE A 66 4.130 3.786 8.378 1.00 72.14 H new ATOM 0 HG12 ILE A 66 2.670 4.750 10.503 1.00 64.14 H new ATOM 0 HG13 ILE A 66 4.156 4.390 11.360 1.00 64.14 H new ATOM 0 HG21 ILE A 66 1.898 3.043 9.254 1.00 31.42 H new ATOM 0 HG22 ILE A 66 2.941 1.662 8.839 1.00 31.42 H new ATOM 0 HG23 ILE A 66 2.725 2.133 10.541 1.00 31.42 H new ATOM 0 HD11 ILE A 66 4.135 6.726 10.584 1.00 3.04 H new ATOM 0 HD12 ILE A 66 5.430 5.810 9.775 1.00 3.04 H new ATOM 0 HD13 ILE A 66 3.922 6.176 8.905 1.00 3.04 H new ATOM 1137 N ILE A 67 5.844 1.020 8.111 1.00 61.24 N ATOM 1138 CA ILE A 67 5.936 -0.368 7.689 1.00 40.54 C ATOM 1139 C ILE A 67 7.006 -1.063 8.546 1.00 41.42 C ATOM 1140 O ILE A 67 6.725 -2.152 9.042 1.00 13.30 O ATOM 1141 CB ILE A 67 6.118 -0.472 6.163 1.00 0.24 C ATOM 1142 CG1 ILE A 67 4.740 -0.477 5.452 1.00 42.22 C ATOM 1143 CG2 ILE A 67 6.856 -1.761 5.778 1.00 33.22 C ATOM 1144 CD1 ILE A 67 3.866 0.753 5.725 1.00 60.13 C ATOM 0 H ILE A 67 6.113 1.711 7.410 1.00 61.24 H new ATOM 0 HA ILE A 67 5.005 -0.907 7.866 1.00 40.54 H new ATOM 0 HB ILE A 67 6.704 0.392 5.850 1.00 0.24 H new ATOM 0 HG12 ILE A 67 4.903 -0.557 4.377 1.00 42.22 H new ATOM 0 HG13 ILE A 67 4.193 -1.368 5.759 1.00 42.22 H new ATOM 0 HG21 ILE A 67 6.969 -1.806 4.695 1.00 33.22 H new ATOM 0 HG22 ILE A 67 7.840 -1.771 6.246 1.00 33.22 H new ATOM 0 HG23 ILE A 67 6.284 -2.624 6.119 1.00 33.22 H new ATOM 0 HD11 ILE A 67 2.924 0.657 5.185 1.00 60.13 H new ATOM 0 HD12 ILE A 67 3.665 0.827 6.794 1.00 60.13 H new ATOM 0 HD13 ILE A 67 4.386 1.651 5.391 1.00 60.13 H new ATOM 1156 N ARG A 68 8.186 -0.463 8.790 1.00 44.53 N ATOM 1157 CA ARG A 68 9.220 -1.088 9.615 1.00 61.15 C ATOM 1158 C ARG A 68 8.646 -1.421 10.994 1.00 41.15 C ATOM 1159 O ARG A 68 8.897 -2.514 11.511 1.00 55.41 O ATOM 1160 CB ARG A 68 10.451 -0.191 9.755 1.00 43.30 C ATOM 1161 CG ARG A 68 11.288 -0.184 8.472 1.00 41.53 C ATOM 1162 CD ARG A 68 12.762 0.048 8.789 1.00 51.34 C ATOM 1163 NE ARG A 68 13.577 -0.050 7.570 1.00 71.10 N ATOM 1164 CZ ARG A 68 14.847 0.388 7.469 1.00 11.15 C ATOM 1165 NH1 ARG A 68 15.579 0.601 8.557 1.00 40.50 N ATOM 1166 NH2 ARG A 68 15.399 0.614 6.286 1.00 60.10 N ATOM 0 H ARG A 68 8.441 0.454 8.424 1.00 44.53 H new ATOM 0 HA ARG A 68 9.539 -2.006 9.121 1.00 61.15 H new ATOM 0 HB2 ARG A 68 10.137 0.826 9.992 1.00 43.30 H new ATOM 0 HB3 ARG A 68 11.063 -0.538 10.588 1.00 43.30 H new ATOM 0 HG2 ARG A 68 11.169 -1.133 7.949 1.00 41.53 H new ATOM 0 HG3 ARG A 68 10.928 0.597 7.802 1.00 41.53 H new ATOM 0 HD2 ARG A 68 12.892 1.031 9.241 1.00 51.34 H new ATOM 0 HD3 ARG A 68 13.102 -0.686 9.520 1.00 51.34 H new ATOM 0 HE ARG A 68 13.153 -0.478 6.747 1.00 71.10 H new ATOM 0 HH11 ARG A 68 15.181 0.433 9.481 1.00 40.50 H new ATOM 0 HH12 ARG A 68 16.540 0.933 8.469 1.00 40.50 H new ATOM 0 HH21 ARG A 68 14.861 0.457 5.434 1.00 60.10 H new ATOM 0 HH22 ARG A 68 16.362 0.946 6.227 1.00 60.10 H new ATOM 1180 N ARG A 69 7.841 -0.511 11.565 1.00 2.12 N ATOM 1181 CA ARG A 69 7.218 -0.686 12.868 1.00 4.00 C ATOM 1182 C ARG A 69 6.293 -1.893 12.907 1.00 61.51 C ATOM 1183 O ARG A 69 6.524 -2.794 13.713 1.00 22.10 O ATOM 1184 CB ARG A 69 6.461 0.598 13.257 1.00 35.41 C ATOM 1185 CG ARG A 69 5.860 0.499 14.672 1.00 55.41 C ATOM 1186 CD ARG A 69 5.735 1.843 15.390 1.00 53.31 C ATOM 1187 NE ARG A 69 7.058 2.415 15.691 1.00 0.14 N ATOM 1188 CZ ARG A 69 7.404 3.128 16.767 1.00 22.41 C ATOM 1189 NH1 ARG A 69 6.580 3.292 17.792 1.00 33.31 N ATOM 1190 NH2 ARG A 69 8.593 3.710 16.806 1.00 42.24 N ATOM 0 H ARG A 69 7.607 0.377 11.120 1.00 2.12 H new ATOM 0 HA ARG A 69 8.008 -0.875 13.595 1.00 4.00 H new ATOM 0 HB2 ARG A 69 7.140 1.449 13.209 1.00 35.41 H new ATOM 0 HB3 ARG A 69 5.665 0.784 12.536 1.00 35.41 H new ATOM 0 HG2 ARG A 69 4.873 0.041 14.605 1.00 55.41 H new ATOM 0 HG3 ARG A 69 6.480 -0.166 15.273 1.00 55.41 H new ATOM 0 HD2 ARG A 69 5.169 2.538 14.769 1.00 53.31 H new ATOM 0 HD3 ARG A 69 5.174 1.712 16.315 1.00 53.31 H new ATOM 0 HE ARG A 69 7.792 2.249 15.002 1.00 0.14 H new ATOM 0 HH11 ARG A 69 5.652 2.868 17.774 1.00 33.31 H new ATOM 0 HH12 ARG A 69 6.873 3.842 18.599 1.00 33.31 H new ATOM 0 HH21 ARG A 69 9.235 3.612 16.019 1.00 42.24 H new ATOM 0 HH22 ARG A 69 8.867 4.256 17.623 1.00 42.24 H new ATOM 1204 N ARG A 70 5.253 -1.953 12.072 1.00 23.14 N ATOM 1205 CA ARG A 70 4.339 -3.099 12.117 1.00 13.44 C ATOM 1206 C ARG A 70 4.987 -4.398 11.663 1.00 63.45 C ATOM 1207 O ARG A 70 4.886 -5.401 12.364 1.00 24.44 O ATOM 1208 CB ARG A 70 3.029 -2.860 11.354 1.00 43.01 C ATOM 1209 CG ARG A 70 3.147 -2.092 10.025 1.00 75.23 C ATOM 1210 CD ARG A 70 2.104 -2.529 8.985 1.00 14.03 C ATOM 1211 NE ARG A 70 0.770 -2.717 9.580 1.00 20.22 N ATOM 1212 CZ ARG A 70 -0.015 -1.778 10.127 1.00 31.54 C ATOM 1213 NH1 ARG A 70 0.234 -0.490 9.911 1.00 3.10 N ATOM 1214 NH2 ARG A 70 -1.022 -2.137 10.910 1.00 0.33 N ATOM 0 H ARG A 70 5.025 -1.244 11.375 1.00 23.14 H new ATOM 0 HA ARG A 70 4.089 -3.205 13.173 1.00 13.44 H new ATOM 0 HB2 ARG A 70 2.569 -3.827 11.151 1.00 43.01 H new ATOM 0 HB3 ARG A 70 2.347 -2.314 12.006 1.00 43.01 H new ATOM 0 HG2 ARG A 70 3.035 -1.025 10.217 1.00 75.23 H new ATOM 0 HG3 ARG A 70 4.146 -2.239 9.614 1.00 75.23 H new ATOM 0 HD2 ARG A 70 2.045 -1.780 8.195 1.00 14.03 H new ATOM 0 HD3 ARG A 70 2.426 -3.460 8.519 1.00 14.03 H new ATOM 0 HE ARG A 70 0.402 -3.668 9.575 1.00 20.22 H new ATOM 0 HH11 ARG A 70 1.024 -0.214 9.328 1.00 3.10 H new ATOM 0 HH12 ARG A 70 -0.365 0.222 10.328 1.00 3.10 H new ATOM 0 HH21 ARG A 70 -1.197 -3.125 11.095 1.00 0.33 H new ATOM 0 HH22 ARG A 70 -1.622 -1.426 11.328 1.00 0.33 H new ATOM 1228 N LEU A 71 5.676 -4.380 10.524 1.00 73.55 N ATOM 1229 CA LEU A 71 6.326 -5.561 9.960 1.00 22.13 C ATOM 1230 C LEU A 71 7.456 -6.097 10.853 1.00 22.20 C ATOM 1231 O LEU A 71 7.912 -7.214 10.634 1.00 31.54 O ATOM 1232 CB LEU A 71 6.855 -5.202 8.555 1.00 23.34 C ATOM 1233 CG LEU A 71 7.053 -6.403 7.610 1.00 11.44 C ATOM 1234 CD1 LEU A 71 5.718 -7.100 7.319 1.00 53.15 C ATOM 1235 CD2 LEU A 71 7.654 -5.926 6.284 1.00 12.31 C ATOM 0 H LEU A 71 5.800 -3.538 9.962 1.00 73.55 H new ATOM 0 HA LEU A 71 5.592 -6.364 9.894 1.00 22.13 H new ATOM 0 HB2 LEU A 71 6.161 -4.502 8.089 1.00 23.34 H new ATOM 0 HB3 LEU A 71 7.807 -4.682 8.663 1.00 23.34 H new ATOM 0 HG LEU A 71 7.725 -7.108 8.100 1.00 11.44 H new ATOM 0 HD11 LEU A 71 5.886 -7.944 6.650 1.00 53.15 H new ATOM 0 HD12 LEU A 71 5.283 -7.458 8.252 1.00 53.15 H new ATOM 0 HD13 LEU A 71 5.034 -6.394 6.848 1.00 53.15 H new ATOM 0 HD21 LEU A 71 7.792 -6.779 5.619 1.00 12.31 H new ATOM 0 HD22 LEU A 71 6.981 -5.207 5.817 1.00 12.31 H new ATOM 0 HD23 LEU A 71 8.618 -5.452 6.471 1.00 12.31 H new ATOM 1247 N GLN A 72 7.876 -5.335 11.875 1.00 20.12 N ATOM 1248 CA GLN A 72 8.951 -5.658 12.811 1.00 54.33 C ATOM 1249 C GLN A 72 10.199 -6.080 12.037 1.00 12.14 C ATOM 1250 O GLN A 72 10.780 -7.142 12.260 1.00 21.40 O ATOM 1251 CB GLN A 72 8.512 -6.633 13.925 1.00 43.25 C ATOM 1252 CG GLN A 72 7.654 -5.987 15.020 1.00 60.35 C ATOM 1253 CD GLN A 72 8.468 -4.983 15.833 1.00 72.14 C ATOM 1254 OE1 GLN A 72 9.183 -5.311 16.775 1.00 53.31 O ATOM 1255 NE2 GLN A 72 8.439 -3.719 15.466 1.00 51.03 N ATOM 0 H GLN A 72 7.449 -4.431 12.077 1.00 20.12 H new ATOM 0 HA GLN A 72 9.217 -4.759 13.368 1.00 54.33 H new ATOM 0 HB2 GLN A 72 7.952 -7.453 13.476 1.00 43.25 H new ATOM 0 HB3 GLN A 72 9.400 -7.068 14.383 1.00 43.25 H new ATOM 0 HG2 GLN A 72 6.798 -5.485 14.568 1.00 60.35 H new ATOM 0 HG3 GLN A 72 7.259 -6.759 15.680 1.00 60.35 H new ATOM 0 HE21 GLN A 72 7.851 -3.428 14.685 1.00 51.03 H new ATOM 0 HE22 GLN A 72 9.005 -3.031 15.962 1.00 51.03 H new ATOM 1264 N LEU A 73 10.593 -5.217 11.097 1.00 13.53 N ATOM 1265 CA LEU A 73 11.766 -5.418 10.260 1.00 21.33 C ATOM 1266 C LEU A 73 12.978 -5.561 11.188 1.00 32.24 C ATOM 1267 O LEU A 73 13.056 -4.818 12.179 1.00 71.23 O ATOM 1268 CB LEU A 73 11.936 -4.184 9.349 1.00 63.24 C ATOM 1269 CG LEU A 73 12.466 -4.436 7.926 1.00 0.11 C ATOM 1270 CD1 LEU A 73 13.669 -5.373 7.828 1.00 53.24 C ATOM 1271 CD2 LEU A 73 11.348 -4.940 7.010 1.00 71.34 C ATOM 0 H LEU A 73 10.096 -4.349 10.898 1.00 13.53 H new ATOM 0 HA LEU A 73 11.666 -6.308 9.638 1.00 21.33 H new ATOM 0 HB2 LEU A 73 10.969 -3.687 9.268 1.00 63.24 H new ATOM 0 HB3 LEU A 73 12.612 -3.487 9.844 1.00 63.24 H new ATOM 0 HG LEU A 73 12.826 -3.461 7.598 1.00 0.11 H new ATOM 0 HD11 LEU A 73 13.961 -5.482 6.784 1.00 53.24 H new ATOM 0 HD12 LEU A 73 14.501 -4.957 8.396 1.00 53.24 H new ATOM 0 HD13 LEU A 73 13.404 -6.349 8.234 1.00 53.24 H new ATOM 0 HD21 LEU A 73 11.746 -5.111 6.010 1.00 71.34 H new ATOM 0 HD22 LEU A 73 10.947 -5.873 7.405 1.00 71.34 H new ATOM 0 HD23 LEU A 73 10.554 -4.195 6.962 1.00 71.34 H new ATOM 1283 N ASN A 74 13.911 -6.460 10.856 1.00 24.02 N ATOM 1284 CA ASN A 74 15.134 -6.706 11.628 1.00 60.14 C ATOM 1285 C ASN A 74 15.895 -5.394 11.823 1.00 24.21 C ATOM 1286 O ASN A 74 15.708 -4.432 11.075 1.00 22.13 O ATOM 1287 CB ASN A 74 16.013 -7.781 10.963 1.00 71.33 C ATOM 1288 CG ASN A 74 16.274 -9.006 11.833 1.00 42.22 C ATOM 1289 OD1 ASN A 74 15.971 -9.047 13.020 1.00 2.21 O ATOM 1290 ND2 ASN A 74 16.804 -10.056 11.232 1.00 35.41 N ATOM 0 H ASN A 74 13.836 -7.049 10.026 1.00 24.02 H new ATOM 0 HA ASN A 74 14.857 -7.093 12.609 1.00 60.14 H new ATOM 0 HB2 ASN A 74 15.535 -8.103 10.038 1.00 71.33 H new ATOM 0 HB3 ASN A 74 16.969 -7.334 10.690 1.00 71.33 H new ATOM 0 HD21 ASN A 74 16.966 -10.916 11.756 1.00 35.41 H new ATOM 0 HD22 ASN A 74 17.051 -10.007 10.244 1.00 35.41 H new ATOM 1297 N ALA A 75 16.754 -5.346 12.833 1.00 73.33 N ATOM 1298 CA ALA A 75 17.554 -4.173 13.181 1.00 2.33 C ATOM 1299 C ALA A 75 18.912 -4.194 12.483 1.00 20.45 C ATOM 1300 O ALA A 75 19.619 -3.189 12.436 1.00 41.41 O ATOM 1301 CB ALA A 75 17.756 -4.153 14.693 1.00 75.32 C ATOM 0 H ALA A 75 16.920 -6.141 13.450 1.00 73.33 H new ATOM 0 HA ALA A 75 17.025 -3.279 12.851 1.00 2.33 H new ATOM 0 HB1 ALA A 75 18.352 -3.283 14.969 1.00 75.32 H new ATOM 0 HB2 ALA A 75 16.787 -4.101 15.189 1.00 75.32 H new ATOM 0 HB3 ALA A 75 18.274 -5.061 15.003 1.00 75.32 H new ATOM 1307 N ASN A 76 19.248 -5.355 11.937 1.00 14.45 N ATOM 1308 CA ASN A 76 20.447 -5.709 11.207 1.00 14.51 C ATOM 1309 C ASN A 76 20.158 -5.807 9.710 1.00 21.12 C ATOM 1310 O ASN A 76 21.117 -5.951 8.953 1.00 62.01 O ATOM 1311 CB ASN A 76 20.951 -7.060 11.728 1.00 24.04 C ATOM 1312 CG ASN A 76 19.825 -8.077 11.680 1.00 0.42 C ATOM 1313 OD1 ASN A 76 18.960 -8.076 12.544 1.00 40.23 O ATOM 1314 ND2 ASN A 76 19.687 -8.818 10.606 1.00 60.13 N ATOM 0 H ASN A 76 18.616 -6.153 12.005 1.00 14.45 H new ATOM 0 HA ASN A 76 21.204 -4.939 11.356 1.00 14.51 H new ATOM 0 HB2 ASN A 76 21.791 -7.404 11.124 1.00 24.04 H new ATOM 0 HB3 ASN A 76 21.315 -6.954 12.750 1.00 24.04 H new ATOM 0 HD21 ASN A 76 18.855 -9.397 10.489 1.00 60.13 H new ATOM 0 HD22 ASN A 76 20.411 -8.815 9.888 1.00 60.13 H new ATOM 1321 N GLN A 77 18.887 -5.755 9.274 1.00 24.35 N ATOM 1322 CA GLN A 77 18.557 -5.838 7.844 1.00 71.05 C ATOM 1323 C GLN A 77 17.720 -4.636 7.395 1.00 15.14 C ATOM 1324 O GLN A 77 17.027 -4.025 8.210 1.00 64.32 O ATOM 1325 CB GLN A 77 17.972 -7.217 7.476 1.00 41.55 C ATOM 1326 CG GLN A 77 16.442 -7.318 7.416 1.00 62.02 C ATOM 1327 CD GLN A 77 15.988 -8.752 7.107 1.00 73.03 C ATOM 1328 OE1 GLN A 77 15.433 -9.462 7.948 1.00 60.14 O ATOM 1329 NE2 GLN A 77 16.222 -9.204 5.891 1.00 75.05 N ATOM 0 H GLN A 77 18.078 -5.657 9.888 1.00 24.35 H new ATOM 0 HA GLN A 77 19.478 -5.768 7.265 1.00 71.05 H new ATOM 0 HB2 GLN A 77 18.371 -7.509 6.505 1.00 41.55 H new ATOM 0 HB3 GLN A 77 18.334 -7.946 8.201 1.00 41.55 H new ATOM 0 HG2 GLN A 77 16.017 -6.997 8.367 1.00 62.02 H new ATOM 0 HG3 GLN A 77 16.061 -6.641 6.652 1.00 62.02 H new ATOM 0 HE21 GLN A 77 16.682 -8.606 5.204 1.00 75.05 H new ATOM 0 HE22 GLN A 77 15.943 -10.152 5.637 1.00 75.05 H new ATOM 1338 N ALA A 78 17.851 -4.234 6.130 1.00 40.40 N ATOM 1339 CA ALA A 78 17.142 -3.101 5.527 1.00 72.24 C ATOM 1340 C ALA A 78 16.293 -3.549 4.343 1.00 21.23 C ATOM 1341 O ALA A 78 16.293 -4.728 4.007 1.00 55.34 O ATOM 1342 CB ALA A 78 18.127 -1.976 5.199 1.00 34.25 C ATOM 0 H ALA A 78 18.475 -4.703 5.473 1.00 40.40 H new ATOM 0 HA ALA A 78 16.434 -2.689 6.247 1.00 72.24 H new ATOM 0 HB1 ALA A 78 17.589 -1.140 4.752 1.00 34.25 H new ATOM 0 HB2 ALA A 78 18.618 -1.644 6.114 1.00 34.25 H new ATOM 0 HB3 ALA A 78 18.877 -2.342 4.497 1.00 34.25 H new ATOM 1348 N PHE A 79 15.517 -2.651 3.735 1.00 40.14 N ATOM 1349 CA PHE A 79 14.667 -3.003 2.598 1.00 64.34 C ATOM 1350 C PHE A 79 14.444 -1.799 1.679 1.00 24.04 C ATOM 1351 O PHE A 79 14.741 -0.670 2.078 1.00 31.11 O ATOM 1352 CB PHE A 79 13.343 -3.579 3.139 1.00 2.32 C ATOM 1353 CG PHE A 79 12.223 -2.594 3.394 1.00 31.30 C ATOM 1354 CD1 PHE A 79 12.151 -1.887 4.608 1.00 75.40 C ATOM 1355 CD2 PHE A 79 11.233 -2.412 2.415 1.00 60.02 C ATOM 1356 CE1 PHE A 79 11.086 -0.996 4.830 1.00 32.24 C ATOM 1357 CE2 PHE A 79 10.181 -1.510 2.630 1.00 43.15 C ATOM 1358 CZ PHE A 79 10.105 -0.809 3.842 1.00 24.13 C ATOM 0 H PHE A 79 15.460 -1.671 4.013 1.00 40.14 H new ATOM 0 HA PHE A 79 15.157 -3.760 1.986 1.00 64.34 H new ATOM 0 HB2 PHE A 79 12.984 -4.326 2.431 1.00 2.32 H new ATOM 0 HB3 PHE A 79 13.556 -4.100 4.072 1.00 2.32 H new ATOM 0 HD1 PHE A 79 12.909 -2.028 5.365 1.00 75.40 H new ATOM 0 HD2 PHE A 79 11.282 -2.970 1.491 1.00 60.02 H new ATOM 0 HE1 PHE A 79 11.022 -0.454 5.762 1.00 32.24 H new ATOM 0 HE2 PHE A 79 9.433 -1.356 1.866 1.00 43.15 H new ATOM 0 HZ PHE A 79 9.289 -0.123 4.017 1.00 24.13 H new ATOM 1368 N PHE A 80 13.870 -2.015 0.494 1.00 22.01 N ATOM 1369 CA PHE A 80 13.563 -0.994 -0.506 1.00 22.04 C ATOM 1370 C PHE A 80 12.080 -1.094 -0.850 1.00 64.40 C ATOM 1371 O PHE A 80 11.513 -2.191 -0.831 1.00 52.55 O ATOM 1372 CB PHE A 80 14.470 -1.159 -1.741 1.00 34.33 C ATOM 1373 CG PHE A 80 15.924 -0.901 -1.404 1.00 32.22 C ATOM 1374 CD1 PHE A 80 16.723 -1.894 -0.806 1.00 55.20 C ATOM 1375 CD2 PHE A 80 16.465 0.375 -1.640 1.00 44.20 C ATOM 1376 CE1 PHE A 80 18.046 -1.600 -0.439 1.00 35.35 C ATOM 1377 CE2 PHE A 80 17.762 0.685 -1.207 1.00 23.14 C ATOM 1378 CZ PHE A 80 18.557 -0.305 -0.615 1.00 72.24 C ATOM 0 H PHE A 80 13.594 -2.950 0.193 1.00 22.01 H new ATOM 0 HA PHE A 80 13.762 0.003 -0.114 1.00 22.04 H new ATOM 0 HB2 PHE A 80 14.362 -2.167 -2.140 1.00 34.33 H new ATOM 0 HB3 PHE A 80 14.150 -0.471 -2.523 1.00 34.33 H new ATOM 0 HD1 PHE A 80 16.319 -2.880 -0.630 1.00 55.20 H new ATOM 0 HD2 PHE A 80 15.879 1.120 -2.157 1.00 44.20 H new ATOM 0 HE1 PHE A 80 18.673 -2.373 -0.020 1.00 35.35 H new ATOM 0 HE2 PHE A 80 18.148 1.686 -1.330 1.00 23.14 H new ATOM 0 HZ PHE A 80 19.562 -0.072 -0.295 1.00 72.24 H new ATOM 1388 N LEU A 81 11.444 0.053 -1.098 1.00 60.02 N ATOM 1389 CA LEU A 81 10.035 0.178 -1.460 1.00 72.30 C ATOM 1390 C LEU A 81 10.080 0.854 -2.825 1.00 11.21 C ATOM 1391 O LEU A 81 10.375 2.050 -2.942 1.00 55.23 O ATOM 1392 CB LEU A 81 9.237 0.948 -0.398 1.00 32.15 C ATOM 1393 CG LEU A 81 7.739 0.580 -0.308 1.00 60.35 C ATOM 1394 CD1 LEU A 81 6.947 1.776 0.231 1.00 20.11 C ATOM 1395 CD2 LEU A 81 7.086 0.112 -1.610 1.00 63.32 C ATOM 0 H LEU A 81 11.918 0.955 -1.050 1.00 60.02 H new ATOM 0 HA LEU A 81 9.508 -0.775 -1.509 1.00 72.30 H new ATOM 0 HB2 LEU A 81 9.697 0.775 0.575 1.00 32.15 H new ATOM 0 HB3 LEU A 81 9.321 2.015 -0.605 1.00 32.15 H new ATOM 0 HG LEU A 81 7.708 -0.278 0.363 1.00 60.35 H new ATOM 0 HD11 LEU A 81 5.891 1.514 0.294 1.00 20.11 H new ATOM 0 HD12 LEU A 81 7.315 2.039 1.223 1.00 20.11 H new ATOM 0 HD13 LEU A 81 7.071 2.626 -0.439 1.00 20.11 H new ATOM 0 HD21 LEU A 81 6.036 -0.119 -1.428 1.00 63.32 H new ATOM 0 HD22 LEU A 81 7.160 0.901 -2.358 1.00 63.32 H new ATOM 0 HD23 LEU A 81 7.596 -0.780 -1.973 1.00 63.32 H new ATOM 1407 N LEU A 82 9.822 0.049 -3.843 1.00 74.42 N ATOM 1408 CA LEU A 82 9.858 0.348 -5.253 1.00 12.54 C ATOM 1409 C LEU A 82 8.448 0.675 -5.754 1.00 44.52 C ATOM 1410 O LEU A 82 7.461 0.127 -5.260 1.00 43.14 O ATOM 1411 CB LEU A 82 10.462 -0.915 -5.926 1.00 2.55 C ATOM 1412 CG LEU A 82 11.685 -1.597 -5.233 1.00 51.23 C ATOM 1413 CD1 LEU A 82 12.682 -0.598 -4.671 1.00 20.31 C ATOM 1414 CD2 LEU A 82 11.321 -2.647 -4.180 1.00 2.24 C ATOM 0 H LEU A 82 9.557 -0.922 -3.679 1.00 74.42 H new ATOM 0 HA LEU A 82 10.462 1.224 -5.489 1.00 12.54 H new ATOM 0 HB2 LEU A 82 9.670 -1.658 -6.014 1.00 2.55 H new ATOM 0 HB3 LEU A 82 10.759 -0.645 -6.939 1.00 2.55 H new ATOM 0 HG LEU A 82 12.168 -2.138 -6.047 1.00 51.23 H new ATOM 0 HD11 LEU A 82 13.508 -1.133 -4.203 1.00 20.31 H new ATOM 0 HD12 LEU A 82 13.065 0.027 -5.478 1.00 20.31 H new ATOM 0 HD13 LEU A 82 12.189 0.030 -3.929 1.00 20.31 H new ATOM 0 HD21 LEU A 82 12.232 -3.066 -3.754 1.00 2.24 H new ATOM 0 HD22 LEU A 82 10.732 -2.181 -3.390 1.00 2.24 H new ATOM 0 HD23 LEU A 82 10.739 -3.443 -4.645 1.00 2.24 H new ATOM 1426 N VAL A 83 8.335 1.599 -6.706 1.00 1.14 N ATOM 1427 CA VAL A 83 7.047 2.010 -7.281 1.00 15.14 C ATOM 1428 C VAL A 83 6.922 1.248 -8.585 1.00 72.32 C ATOM 1429 O VAL A 83 7.874 1.252 -9.360 1.00 3.11 O ATOM 1430 CB VAL A 83 6.992 3.532 -7.495 1.00 51.14 C ATOM 1431 CG1 VAL A 83 5.673 3.951 -8.157 1.00 2.43 C ATOM 1432 CG2 VAL A 83 7.083 4.277 -6.162 1.00 35.25 C ATOM 0 H VAL A 83 9.136 2.089 -7.105 1.00 1.14 H new ATOM 0 HA VAL A 83 6.215 1.783 -6.614 1.00 15.14 H new ATOM 0 HB VAL A 83 7.837 3.786 -8.135 1.00 51.14 H new ATOM 0 HG11 VAL A 83 5.663 5.032 -8.296 1.00 2.43 H new ATOM 0 HG12 VAL A 83 5.580 3.460 -9.126 1.00 2.43 H new ATOM 0 HG13 VAL A 83 4.838 3.659 -7.521 1.00 2.43 H new ATOM 0 HG21 VAL A 83 7.042 5.351 -6.342 1.00 35.25 H new ATOM 0 HG22 VAL A 83 6.250 3.984 -5.524 1.00 35.25 H new ATOM 0 HG23 VAL A 83 8.023 4.027 -5.669 1.00 35.25 H new ATOM 1442 N ASN A 84 5.814 0.528 -8.809 1.00 44.11 N ATOM 1443 CA ASN A 84 5.601 -0.271 -10.027 1.00 4.41 C ATOM 1444 C ASN A 84 6.747 -1.279 -10.280 1.00 3.31 C ATOM 1445 O ASN A 84 6.841 -1.869 -11.354 1.00 12.10 O ATOM 1446 CB ASN A 84 5.337 0.647 -11.241 1.00 0.30 C ATOM 1447 CG ASN A 84 4.000 1.373 -11.133 1.00 55.41 C ATOM 1448 OD1 ASN A 84 2.980 0.723 -10.954 1.00 33.02 O ATOM 1449 ND2 ASN A 84 3.970 2.697 -11.235 1.00 12.43 N ATOM 0 H ASN A 84 5.037 0.482 -8.150 1.00 44.11 H new ATOM 0 HA ASN A 84 4.708 -0.878 -9.874 1.00 4.41 H new ATOM 0 HB2 ASN A 84 6.141 1.379 -11.323 1.00 0.30 H new ATOM 0 HB3 ASN A 84 5.353 0.053 -12.154 1.00 0.30 H new ATOM 0 HD21 ASN A 84 3.082 3.194 -11.164 1.00 12.43 H new ATOM 0 HD22 ASN A 84 4.835 3.217 -11.384 1.00 12.43 H new ATOM 1456 N GLY A 85 7.605 -1.534 -9.280 1.00 15.42 N ATOM 1457 CA GLY A 85 8.749 -2.433 -9.356 1.00 41.52 C ATOM 1458 C GLY A 85 10.069 -1.693 -9.615 1.00 43.41 C ATOM 1459 O GLY A 85 11.042 -2.347 -9.993 1.00 31.22 O ATOM 0 H GLY A 85 7.510 -1.098 -8.363 1.00 15.42 H new ATOM 0 HA2 GLY A 85 8.828 -2.993 -8.424 1.00 41.52 H new ATOM 0 HA3 GLY A 85 8.583 -3.160 -10.151 1.00 41.52 H new ATOM 1463 N HIS A 86 10.144 -0.373 -9.381 1.00 75.23 N ATOM 1464 CA HIS A 86 11.330 0.451 -9.597 1.00 1.32 C ATOM 1465 C HIS A 86 11.532 1.511 -8.499 1.00 2.52 C ATOM 1466 O HIS A 86 10.648 2.326 -8.238 1.00 73.44 O ATOM 1467 CB HIS A 86 11.185 1.171 -10.951 1.00 15.44 C ATOM 1468 CG HIS A 86 10.758 0.271 -12.083 1.00 40.30 C ATOM 1469 ND1 HIS A 86 11.572 -0.591 -12.781 1.00 72.20 N ATOM 1470 CD2 HIS A 86 9.473 0.088 -12.522 1.00 13.42 C ATOM 1471 CE1 HIS A 86 10.789 -1.293 -13.617 1.00 65.31 C ATOM 1472 NE2 HIS A 86 9.514 -0.888 -13.525 1.00 23.00 N ATOM 0 H HIS A 86 9.352 0.161 -9.025 1.00 75.23 H new ATOM 0 HA HIS A 86 12.196 -0.210 -9.577 1.00 1.32 H new ATOM 0 HB2 HIS A 86 10.457 1.976 -10.846 1.00 15.44 H new ATOM 0 HB3 HIS A 86 12.138 1.634 -11.208 1.00 15.44 H new ATOM 0 HD2 HIS A 86 8.593 0.601 -12.162 1.00 13.42 H new ATOM 0 HE1 HIS A 86 11.139 -2.076 -14.273 1.00 65.31 H new ATOM 0 HE2 HIS A 86 8.727 -1.226 -14.079 1.00 23.00 H new ATOM 1480 N SER A 87 12.693 1.521 -7.838 1.00 75.34 N ATOM 1481 CA SER A 87 13.065 2.491 -6.812 1.00 52.43 C ATOM 1482 C SER A 87 13.269 3.802 -7.577 1.00 22.04 C ATOM 1483 O SER A 87 14.299 3.984 -8.235 1.00 64.21 O ATOM 1484 CB SER A 87 14.342 2.103 -6.032 1.00 60.41 C ATOM 1485 OG SER A 87 14.264 2.584 -4.697 1.00 21.31 O ATOM 0 H SER A 87 13.422 0.829 -8.011 1.00 75.34 H new ATOM 0 HA SER A 87 12.292 2.556 -6.046 1.00 52.43 H new ATOM 0 HB2 SER A 87 14.461 1.020 -6.030 1.00 60.41 H new ATOM 0 HB3 SER A 87 15.220 2.519 -6.526 1.00 60.41 H new ATOM 0 HG SER A 87 15.076 2.332 -4.210 1.00 21.31 H new ATOM 1491 N MET A 88 12.283 4.691 -7.545 1.00 63.41 N ATOM 1492 CA MET A 88 12.308 5.972 -8.245 1.00 51.41 C ATOM 1493 C MET A 88 11.864 7.149 -7.376 1.00 44.23 C ATOM 1494 O MET A 88 11.694 8.258 -7.887 1.00 73.22 O ATOM 1495 CB MET A 88 11.458 5.828 -9.509 1.00 24.14 C ATOM 1496 CG MET A 88 9.963 5.739 -9.185 1.00 53.44 C ATOM 1497 SD MET A 88 8.975 5.061 -10.528 1.00 32.24 S ATOM 1498 CE MET A 88 9.441 6.200 -11.854 1.00 53.20 C ATOM 0 H MET A 88 11.423 4.538 -7.019 1.00 63.41 H new ATOM 0 HA MET A 88 13.338 6.213 -8.509 1.00 51.41 H new ATOM 0 HB2 MET A 88 11.637 6.679 -10.166 1.00 24.14 H new ATOM 0 HB3 MET A 88 11.765 4.935 -10.053 1.00 24.14 H new ATOM 0 HG2 MET A 88 9.828 5.121 -8.298 1.00 53.44 H new ATOM 0 HG3 MET A 88 9.593 6.734 -8.939 1.00 53.44 H new ATOM 0 HE1 MET A 88 8.748 6.091 -12.688 1.00 53.20 H new ATOM 0 HE2 MET A 88 9.404 7.224 -11.483 1.00 53.20 H new ATOM 0 HE3 MET A 88 10.452 5.972 -12.191 1.00 53.20 H new ATOM 1508 N VAL A 89 11.636 6.907 -6.086 1.00 21.14 N ATOM 1509 CA VAL A 89 11.220 7.909 -5.124 1.00 42.30 C ATOM 1510 C VAL A 89 12.138 7.773 -3.917 1.00 40.41 C ATOM 1511 O VAL A 89 12.248 6.694 -3.324 1.00 33.04 O ATOM 1512 CB VAL A 89 9.712 7.806 -4.808 1.00 54.20 C ATOM 1513 CG1 VAL A 89 9.214 6.403 -4.441 1.00 3.32 C ATOM 1514 CG2 VAL A 89 9.338 8.765 -3.676 1.00 35.14 C ATOM 0 H VAL A 89 11.741 5.979 -5.676 1.00 21.14 H new ATOM 0 HA VAL A 89 11.323 8.918 -5.522 1.00 42.30 H new ATOM 0 HB VAL A 89 9.220 8.073 -5.743 1.00 54.20 H new ATOM 0 HG11 VAL A 89 8.144 6.438 -4.238 1.00 3.32 H new ATOM 0 HG12 VAL A 89 9.403 5.721 -5.270 1.00 3.32 H new ATOM 0 HG13 VAL A 89 9.740 6.051 -3.554 1.00 3.32 H new ATOM 0 HG21 VAL A 89 8.272 8.681 -3.465 1.00 35.14 H new ATOM 0 HG22 VAL A 89 9.906 8.511 -2.781 1.00 35.14 H new ATOM 0 HG23 VAL A 89 9.569 9.788 -3.974 1.00 35.14 H new ATOM 1524 N SER A 90 12.847 8.848 -3.588 1.00 13.23 N ATOM 1525 CA SER A 90 13.751 8.871 -2.451 1.00 21.15 C ATOM 1526 C SER A 90 12.936 9.193 -1.196 1.00 35.04 C ATOM 1527 O SER A 90 11.875 9.822 -1.261 1.00 23.01 O ATOM 1528 CB SER A 90 14.876 9.867 -2.724 1.00 24.42 C ATOM 1529 OG SER A 90 15.499 9.491 -3.939 1.00 40.40 O ATOM 0 H SER A 90 12.809 9.727 -4.105 1.00 13.23 H new ATOM 0 HA SER A 90 14.228 7.904 -2.289 1.00 21.15 H new ATOM 0 HB2 SER A 90 14.481 10.880 -2.795 1.00 24.42 H new ATOM 0 HB3 SER A 90 15.597 9.862 -1.907 1.00 24.42 H new ATOM 0 HG SER A 90 16.226 10.116 -4.141 1.00 40.40 H new ATOM 1535 N VAL A 91 13.455 8.827 -0.026 1.00 73.00 N ATOM 1536 CA VAL A 91 12.774 9.038 1.249 1.00 33.23 C ATOM 1537 C VAL A 91 12.402 10.493 1.591 1.00 0.35 C ATOM 1538 O VAL A 91 11.528 10.697 2.441 1.00 20.42 O ATOM 1539 CB VAL A 91 13.564 8.352 2.376 1.00 13.44 C ATOM 1540 CG1 VAL A 91 13.505 6.826 2.218 1.00 60.13 C ATOM 1541 CG2 VAL A 91 15.008 8.861 2.506 1.00 34.22 C ATOM 0 H VAL A 91 14.364 8.374 0.064 1.00 73.00 H new ATOM 0 HA VAL A 91 11.796 8.569 1.140 1.00 33.23 H new ATOM 0 HB VAL A 91 13.080 8.623 3.314 1.00 13.44 H new ATOM 0 HG11 VAL A 91 14.069 6.355 3.023 1.00 60.13 H new ATOM 0 HG12 VAL A 91 12.467 6.496 2.260 1.00 60.13 H new ATOM 0 HG13 VAL A 91 13.937 6.543 1.258 1.00 60.13 H new ATOM 0 HG21 VAL A 91 15.507 8.335 3.320 1.00 34.22 H new ATOM 0 HG22 VAL A 91 15.543 8.679 1.574 1.00 34.22 H new ATOM 0 HG23 VAL A 91 14.999 9.930 2.717 1.00 34.22 H new ATOM 1551 N SER A 92 13.014 11.501 0.965 1.00 32.13 N ATOM 1552 CA SER A 92 12.747 12.920 1.216 1.00 33.24 C ATOM 1553 C SER A 92 11.688 13.534 0.289 1.00 61.41 C ATOM 1554 O SER A 92 11.408 14.727 0.409 1.00 63.01 O ATOM 1555 CB SER A 92 14.077 13.680 1.111 1.00 23.42 C ATOM 1556 OG SER A 92 14.907 13.312 2.202 1.00 63.02 O ATOM 0 H SER A 92 13.727 11.350 0.251 1.00 32.13 H new ATOM 0 HA SER A 92 12.322 13.007 2.216 1.00 33.24 H new ATOM 0 HB2 SER A 92 14.570 13.447 0.167 1.00 23.42 H new ATOM 0 HB3 SER A 92 13.898 14.755 1.120 1.00 23.42 H new ATOM 0 HG SER A 92 15.759 13.792 2.141 1.00 63.02 H new ATOM 1562 N THR A 93 11.079 12.763 -0.611 1.00 35.34 N ATOM 1563 CA THR A 93 10.078 13.257 -1.554 1.00 55.23 C ATOM 1564 C THR A 93 8.657 13.086 -0.974 1.00 2.33 C ATOM 1565 O THR A 93 8.402 12.074 -0.304 1.00 43.11 O ATOM 1566 CB THR A 93 10.267 12.486 -2.873 1.00 72.20 C ATOM 1567 OG1 THR A 93 11.639 12.473 -3.252 1.00 24.25 O ATOM 1568 CG2 THR A 93 9.465 13.073 -4.035 1.00 20.12 C ATOM 0 H THR A 93 11.270 11.766 -0.706 1.00 35.34 H new ATOM 0 HA THR A 93 10.204 14.324 -1.738 1.00 55.23 H new ATOM 0 HB THR A 93 9.902 11.478 -2.678 1.00 72.20 H new ATOM 0 HG1 THR A 93 11.742 11.978 -4.091 1.00 24.25 H new ATOM 0 HG21 THR A 93 9.643 12.483 -4.934 1.00 20.12 H new ATOM 0 HG22 THR A 93 8.403 13.052 -3.791 1.00 20.12 H new ATOM 0 HG23 THR A 93 9.777 14.103 -4.209 1.00 20.12 H new ATOM 1576 N PRO A 94 7.725 14.037 -1.198 1.00 2.45 N ATOM 1577 CA PRO A 94 6.370 13.922 -0.696 1.00 51.14 C ATOM 1578 C PRO A 94 5.544 12.936 -1.536 1.00 40.33 C ATOM 1579 O PRO A 94 5.495 12.966 -2.772 1.00 74.44 O ATOM 1580 CB PRO A 94 5.793 15.332 -0.726 1.00 54.20 C ATOM 1581 CG PRO A 94 6.546 16.031 -1.856 1.00 12.41 C ATOM 1582 CD PRO A 94 7.878 15.286 -1.946 1.00 31.31 C ATOM 0 HA PRO A 94 6.350 13.519 0.317 1.00 51.14 H new ATOM 0 HB2 PRO A 94 4.719 15.317 -0.914 1.00 54.20 H new ATOM 0 HB3 PRO A 94 5.943 15.842 0.226 1.00 54.20 H new ATOM 0 HG2 PRO A 94 5.995 15.974 -2.795 1.00 12.41 H new ATOM 0 HG3 PRO A 94 6.696 17.088 -1.638 1.00 12.41 H new ATOM 0 HD2 PRO A 94 8.136 15.083 -2.985 1.00 31.31 H new ATOM 0 HD3 PRO A 94 8.685 15.888 -1.529 1.00 31.31 H new ATOM 1590 N ILE A 95 4.843 12.051 -0.817 1.00 1.14 N ATOM 1591 CA ILE A 95 4.017 11.032 -1.425 1.00 2.15 C ATOM 1592 C ILE A 95 2.863 11.623 -2.249 1.00 44.51 C ATOM 1593 O ILE A 95 2.305 10.916 -3.086 1.00 15.21 O ATOM 1594 CB ILE A 95 3.552 10.049 -0.321 1.00 23.03 C ATOM 1595 CG1 ILE A 95 3.049 8.711 -0.875 1.00 34.33 C ATOM 1596 CG2 ILE A 95 2.489 10.672 0.599 1.00 12.12 C ATOM 1597 CD1 ILE A 95 4.142 7.846 -1.511 1.00 61.33 C ATOM 0 H ILE A 95 4.841 12.031 0.203 1.00 1.14 H new ATOM 0 HA ILE A 95 4.604 10.475 -2.155 1.00 2.15 H new ATOM 0 HB ILE A 95 4.445 9.842 0.269 1.00 23.03 H new ATOM 0 HG12 ILE A 95 2.580 8.149 -0.067 1.00 34.33 H new ATOM 0 HG13 ILE A 95 2.276 8.906 -1.619 1.00 34.33 H new ATOM 0 HG21 ILE A 95 2.193 9.947 1.357 1.00 12.12 H new ATOM 0 HG22 ILE A 95 2.901 11.557 1.085 1.00 12.12 H new ATOM 0 HG23 ILE A 95 1.618 10.955 0.009 1.00 12.12 H new ATOM 0 HD11 ILE A 95 3.704 6.918 -1.878 1.00 61.33 H new ATOM 0 HD12 ILE A 95 4.596 8.386 -2.342 1.00 61.33 H new ATOM 0 HD13 ILE A 95 4.905 7.618 -0.766 1.00 61.33 H new ATOM 1609 N SER A 96 2.494 12.884 -2.017 1.00 55.33 N ATOM 1610 CA SER A 96 1.443 13.561 -2.747 1.00 31.14 C ATOM 1611 C SER A 96 1.814 13.663 -4.223 1.00 31.33 C ATOM 1612 O SER A 96 1.060 13.213 -5.089 1.00 71.10 O ATOM 1613 CB SER A 96 1.205 14.938 -2.114 1.00 3.43 C ATOM 1614 OG SER A 96 2.398 15.518 -1.620 1.00 73.40 O ATOM 0 H SER A 96 2.931 13.466 -1.302 1.00 55.33 H new ATOM 0 HA SER A 96 0.514 12.994 -2.689 1.00 31.14 H new ATOM 0 HB2 SER A 96 0.760 15.603 -2.854 1.00 3.43 H new ATOM 0 HB3 SER A 96 0.487 14.841 -1.300 1.00 3.43 H new ATOM 0 HG SER A 96 2.198 16.394 -1.228 1.00 73.40 H new ATOM 1620 N GLU A 97 2.980 14.248 -4.496 1.00 60.43 N ATOM 1621 CA GLU A 97 3.432 14.394 -5.871 1.00 23.43 C ATOM 1622 C GLU A 97 3.781 13.019 -6.442 1.00 54.31 C ATOM 1623 O GLU A 97 3.406 12.735 -7.576 1.00 40.24 O ATOM 1624 CB GLU A 97 4.576 15.407 -5.985 1.00 1.12 C ATOM 1625 CG GLU A 97 5.979 14.884 -5.668 1.00 35.42 C ATOM 1626 CD GLU A 97 7.024 15.906 -6.093 1.00 71.24 C ATOM 1627 OE1 GLU A 97 7.446 15.862 -7.274 1.00 55.33 O ATOM 1628 OE2 GLU A 97 7.409 16.755 -5.266 1.00 55.10 O ATOM 0 H GLU A 97 3.617 14.622 -3.793 1.00 60.43 H new ATOM 0 HA GLU A 97 2.624 14.806 -6.476 1.00 23.43 H new ATOM 0 HB2 GLU A 97 4.581 15.805 -7.000 1.00 1.12 H new ATOM 0 HB3 GLU A 97 4.363 16.241 -5.316 1.00 1.12 H new ATOM 0 HG2 GLU A 97 6.068 14.683 -4.600 1.00 35.42 H new ATOM 0 HG3 GLU A 97 6.150 13.940 -6.186 1.00 35.42 H new ATOM 1635 N VAL A 98 4.411 12.147 -5.647 1.00 71.10 N ATOM 1636 CA VAL A 98 4.778 10.819 -6.147 1.00 53.42 C ATOM 1637 C VAL A 98 3.510 10.083 -6.613 1.00 2.22 C ATOM 1638 O VAL A 98 3.527 9.414 -7.650 1.00 72.01 O ATOM 1639 CB VAL A 98 5.605 10.068 -5.100 1.00 14.45 C ATOM 1640 CG1 VAL A 98 6.038 8.694 -5.637 1.00 52.33 C ATOM 1641 CG2 VAL A 98 6.880 10.851 -4.739 1.00 22.34 C ATOM 0 H VAL A 98 4.672 12.330 -4.678 1.00 71.10 H new ATOM 0 HA VAL A 98 5.425 10.895 -7.021 1.00 53.42 H new ATOM 0 HB VAL A 98 4.975 9.951 -4.218 1.00 14.45 H new ATOM 0 HG11 VAL A 98 6.625 8.175 -4.879 1.00 52.33 H new ATOM 0 HG12 VAL A 98 5.155 8.103 -5.879 1.00 52.33 H new ATOM 0 HG13 VAL A 98 6.642 8.828 -6.534 1.00 52.33 H new ATOM 0 HG21 VAL A 98 7.449 10.296 -3.994 1.00 22.34 H new ATOM 0 HG22 VAL A 98 7.489 10.987 -5.633 1.00 22.34 H new ATOM 0 HG23 VAL A 98 6.606 11.825 -4.335 1.00 22.34 H new ATOM 1651 N TYR A 99 2.408 10.219 -5.871 1.00 2.22 N ATOM 1652 CA TYR A 99 1.137 9.604 -6.200 1.00 75.31 C ATOM 1653 C TYR A 99 0.643 10.145 -7.527 1.00 33.24 C ATOM 1654 O TYR A 99 0.400 9.362 -8.439 1.00 20.25 O ATOM 1655 CB TYR A 99 0.110 9.919 -5.109 1.00 73.21 C ATOM 1656 CG TYR A 99 -1.340 9.637 -5.471 1.00 33.01 C ATOM 1657 CD1 TYR A 99 -1.775 8.317 -5.684 1.00 43.33 C ATOM 1658 CD2 TYR A 99 -2.257 10.700 -5.598 1.00 61.00 C ATOM 1659 CE1 TYR A 99 -3.118 8.050 -5.992 1.00 40.30 C ATOM 1660 CE2 TYR A 99 -3.607 10.445 -5.898 1.00 32.32 C ATOM 1661 CZ TYR A 99 -4.042 9.115 -6.094 1.00 54.12 C ATOM 1662 OH TYR A 99 -5.349 8.860 -6.371 1.00 40.20 O ATOM 0 H TYR A 99 2.382 10.770 -5.013 1.00 2.22 H new ATOM 0 HA TYR A 99 1.268 8.524 -6.270 1.00 75.31 H new ATOM 0 HB2 TYR A 99 0.363 9.342 -4.220 1.00 73.21 H new ATOM 0 HB3 TYR A 99 0.201 10.972 -4.842 1.00 73.21 H new ATOM 0 HD1 TYR A 99 -1.070 7.502 -5.610 1.00 43.33 H new ATOM 0 HD2 TYR A 99 -1.920 11.717 -5.464 1.00 61.00 H new ATOM 0 HE1 TYR A 99 -3.445 7.033 -6.151 1.00 40.30 H new ATOM 0 HE2 TYR A 99 -4.308 11.262 -5.978 1.00 32.32 H new ATOM 0 HH TYR A 99 -5.408 8.170 -7.064 1.00 40.20 H new ATOM 1672 N GLU A 100 0.478 11.462 -7.650 1.00 71.02 N ATOM 1673 CA GLU A 100 -0.019 12.007 -8.901 1.00 75.03 C ATOM 1674 C GLU A 100 0.934 11.836 -10.096 1.00 20.04 C ATOM 1675 O GLU A 100 0.487 12.049 -11.221 1.00 64.24 O ATOM 1676 CB GLU A 100 -0.583 13.419 -8.727 1.00 15.34 C ATOM 1677 CG GLU A 100 0.429 14.456 -8.228 1.00 0.15 C ATOM 1678 CD GLU A 100 0.103 15.851 -8.758 1.00 21.25 C ATOM 1679 OE1 GLU A 100 -1.078 16.263 -8.693 1.00 52.30 O ATOM 1680 OE2 GLU A 100 1.004 16.523 -9.312 1.00 23.02 O ATOM 0 H GLU A 100 0.675 12.148 -6.921 1.00 71.02 H new ATOM 0 HA GLU A 100 -0.867 11.384 -9.184 1.00 75.03 H new ATOM 0 HB2 GLU A 100 -0.986 13.755 -9.683 1.00 15.34 H new ATOM 0 HB3 GLU A 100 -1.417 13.379 -8.026 1.00 15.34 H new ATOM 0 HG2 GLU A 100 0.431 14.470 -7.138 1.00 0.15 H new ATOM 0 HG3 GLU A 100 1.432 14.170 -8.545 1.00 0.15 H new ATOM 1687 N SER A 101 2.203 11.464 -9.886 1.00 12.51 N ATOM 1688 CA SER A 101 3.155 11.261 -10.969 1.00 33.05 C ATOM 1689 C SER A 101 3.185 9.784 -11.415 1.00 1.51 C ATOM 1690 O SER A 101 3.247 9.527 -12.618 1.00 63.44 O ATOM 1691 CB SER A 101 4.545 11.748 -10.518 1.00 73.04 C ATOM 1692 OG SER A 101 5.332 12.192 -11.614 1.00 53.14 O ATOM 0 H SER A 101 2.592 11.297 -8.958 1.00 12.51 H new ATOM 0 HA SER A 101 2.844 11.843 -11.836 1.00 33.05 H new ATOM 0 HB2 SER A 101 4.430 12.561 -9.801 1.00 73.04 H new ATOM 0 HB3 SER A 101 5.063 10.939 -10.003 1.00 73.04 H new ATOM 0 HG SER A 101 6.205 12.495 -11.288 1.00 53.14 H new ATOM 1698 N GLU A 102 3.068 8.808 -10.502 1.00 12.42 N ATOM 1699 CA GLU A 102 3.117 7.369 -10.819 1.00 51.52 C ATOM 1700 C GLU A 102 1.759 6.656 -10.766 1.00 20.33 C ATOM 1701 O GLU A 102 1.715 5.455 -11.040 1.00 20.13 O ATOM 1702 CB GLU A 102 4.160 6.677 -9.924 1.00 1.51 C ATOM 1703 CG GLU A 102 5.600 7.133 -10.219 1.00 23.12 C ATOM 1704 CD GLU A 102 6.049 6.812 -11.653 1.00 22.04 C ATOM 1705 OE1 GLU A 102 6.087 5.634 -12.081 1.00 55.22 O ATOM 1706 OE2 GLU A 102 6.381 7.774 -12.381 1.00 21.15 O ATOM 0 H GLU A 102 2.935 8.997 -9.508 1.00 12.42 H new ATOM 0 HA GLU A 102 3.419 7.291 -11.863 1.00 51.52 H new ATOM 0 HB2 GLU A 102 3.927 6.881 -8.879 1.00 1.51 H new ATOM 0 HB3 GLU A 102 4.091 5.598 -10.062 1.00 1.51 H new ATOM 0 HG2 GLU A 102 5.676 8.207 -10.052 1.00 23.12 H new ATOM 0 HG3 GLU A 102 6.279 6.652 -9.515 1.00 23.12 H new ATOM 1713 N LYS A 103 0.671 7.374 -10.468 1.00 32.05 N ATOM 1714 CA LYS A 103 -0.700 6.857 -10.382 1.00 4.53 C ATOM 1715 C LYS A 103 -1.033 5.923 -11.543 1.00 14.43 C ATOM 1716 O LYS A 103 -0.765 6.245 -12.702 1.00 44.20 O ATOM 1717 CB LYS A 103 -1.733 8.011 -10.365 1.00 72.01 C ATOM 1718 CG LYS A 103 -1.475 9.092 -11.441 1.00 64.44 C ATOM 1719 CD LYS A 103 -2.702 9.925 -11.840 1.00 4.51 C ATOM 1720 CE LYS A 103 -2.760 11.250 -11.078 1.00 73.32 C ATOM 1721 NZ LYS A 103 -3.910 12.074 -11.501 1.00 1.32 N ATOM 0 H LYS A 103 0.723 8.374 -10.272 1.00 32.05 H new ATOM 0 HA LYS A 103 -0.757 6.296 -9.449 1.00 4.53 H new ATOM 0 HB2 LYS A 103 -2.730 7.596 -10.511 1.00 72.01 H new ATOM 0 HB3 LYS A 103 -1.724 8.481 -9.381 1.00 72.01 H new ATOM 0 HG2 LYS A 103 -0.701 9.767 -11.076 1.00 64.44 H new ATOM 0 HG3 LYS A 103 -1.080 8.606 -12.333 1.00 64.44 H new ATOM 0 HD2 LYS A 103 -2.675 10.123 -12.912 1.00 4.51 H new ATOM 0 HD3 LYS A 103 -3.609 9.353 -11.645 1.00 4.51 H new ATOM 0 HE2 LYS A 103 -2.828 11.052 -10.008 1.00 73.32 H new ATOM 0 HE3 LYS A 103 -1.836 11.804 -11.241 1.00 73.32 H new ATOM 0 HZ1 LYS A 103 -3.916 12.964 -10.963 1.00 1.32 H new ATOM 0 HZ2 LYS A 103 -3.832 12.284 -12.517 1.00 1.32 H new ATOM 0 HZ3 LYS A 103 -4.793 11.555 -11.322 1.00 1.32 H new ATOM 1735 N ASP A 104 -1.636 4.779 -11.250 1.00 1.31 N ATOM 1736 CA ASP A 104 -2.032 3.837 -12.285 1.00 64.44 C ATOM 1737 C ASP A 104 -3.278 4.420 -12.965 1.00 75.03 C ATOM 1738 O ASP A 104 -3.908 5.342 -12.433 1.00 12.44 O ATOM 1739 CB ASP A 104 -2.289 2.460 -11.660 1.00 53.54 C ATOM 1740 CG ASP A 104 -0.953 1.816 -11.284 1.00 2.54 C ATOM 1741 OD1 ASP A 104 -0.310 1.252 -12.205 1.00 40.54 O ATOM 1742 OD2 ASP A 104 -0.548 1.954 -10.109 1.00 51.52 O ATOM 0 H ASP A 104 -1.862 4.481 -10.301 1.00 1.31 H new ATOM 0 HA ASP A 104 -1.251 3.694 -13.032 1.00 64.44 H new ATOM 0 HB2 ASP A 104 -2.918 2.561 -10.776 1.00 53.54 H new ATOM 0 HB3 ASP A 104 -2.827 1.824 -12.363 1.00 53.54 H new ATOM 1747 N GLU A 105 -3.707 3.883 -14.112 1.00 72.45 N ATOM 1748 CA GLU A 105 -4.898 4.391 -14.807 1.00 62.44 C ATOM 1749 C GLU A 105 -6.168 4.246 -13.946 1.00 20.24 C ATOM 1750 O GLU A 105 -7.168 4.930 -14.180 1.00 74.04 O ATOM 1751 CB GLU A 105 -5.057 3.745 -16.191 1.00 4.42 C ATOM 1752 CG GLU A 105 -5.678 2.348 -16.150 1.00 54.55 C ATOM 1753 CD GLU A 105 -5.708 1.728 -17.541 1.00 43.22 C ATOM 1754 OE1 GLU A 105 -6.497 2.207 -18.395 1.00 61.23 O ATOM 1755 OE2 GLU A 105 -4.994 0.726 -17.761 1.00 25.31 O ATOM 0 H GLU A 105 -3.250 3.099 -14.579 1.00 72.45 H new ATOM 0 HA GLU A 105 -4.753 5.459 -14.969 1.00 62.44 H new ATOM 0 HB2 GLU A 105 -5.676 4.390 -16.814 1.00 4.42 H new ATOM 0 HB3 GLU A 105 -4.079 3.684 -16.668 1.00 4.42 H new ATOM 0 HG2 GLU A 105 -5.106 1.711 -15.475 1.00 54.55 H new ATOM 0 HG3 GLU A 105 -6.691 2.407 -15.751 1.00 54.55 H new ATOM 1762 N ASP A 106 -6.128 3.378 -12.931 1.00 61.34 N ATOM 1763 CA ASP A 106 -7.218 3.117 -11.991 1.00 3.22 C ATOM 1764 C ASP A 106 -7.298 4.273 -10.980 1.00 31.10 C ATOM 1765 O ASP A 106 -8.322 4.456 -10.322 1.00 40.55 O ATOM 1766 CB ASP A 106 -7.010 1.820 -11.162 1.00 55.45 C ATOM 1767 CG ASP A 106 -6.425 0.575 -11.826 1.00 61.21 C ATOM 1768 OD1 ASP A 106 -6.275 0.529 -13.063 1.00 55.42 O ATOM 1769 OD2 ASP A 106 -6.135 -0.386 -11.078 1.00 64.43 O ATOM 0 H ASP A 106 -5.300 2.815 -12.735 1.00 61.34 H new ATOM 0 HA ASP A 106 -8.122 3.013 -12.591 1.00 3.22 H new ATOM 0 HB2 ASP A 106 -6.364 2.073 -10.321 1.00 55.45 H new ATOM 0 HB3 ASP A 106 -7.979 1.541 -10.747 1.00 55.45 H new ATOM 1774 N GLY A 107 -6.220 5.050 -10.836 1.00 13.54 N ATOM 1775 CA GLY A 107 -6.094 6.170 -9.912 1.00 52.53 C ATOM 1776 C GLY A 107 -5.507 5.719 -8.567 1.00 43.51 C ATOM 1777 O GLY A 107 -5.486 6.506 -7.621 1.00 44.52 O ATOM 0 H GLY A 107 -5.375 4.904 -11.388 1.00 13.54 H new ATOM 0 HA2 GLY A 107 -5.456 6.937 -10.351 1.00 52.53 H new ATOM 0 HA3 GLY A 107 -7.072 6.623 -9.751 1.00 52.53 H new ATOM 1781 N PHE A 108 -5.149 4.439 -8.442 1.00 32.44 N ATOM 1782 CA PHE A 108 -4.554 3.796 -7.272 1.00 33.00 C ATOM 1783 C PHE A 108 -3.024 3.870 -7.390 1.00 15.22 C ATOM 1784 O PHE A 108 -2.535 4.078 -8.501 1.00 60.35 O ATOM 1785 CB PHE A 108 -5.010 2.318 -7.283 1.00 62.21 C ATOM 1786 CG PHE A 108 -5.276 1.587 -5.974 1.00 35.21 C ATOM 1787 CD1 PHE A 108 -5.291 2.230 -4.725 1.00 61.24 C ATOM 1788 CD2 PHE A 108 -5.649 0.233 -6.035 1.00 14.54 C ATOM 1789 CE1 PHE A 108 -5.707 1.542 -3.572 1.00 13.42 C ATOM 1790 CE2 PHE A 108 -6.103 -0.448 -4.895 1.00 60.14 C ATOM 1791 CZ PHE A 108 -6.136 0.211 -3.658 1.00 12.40 C ATOM 0 H PHE A 108 -5.277 3.780 -9.210 1.00 32.44 H new ATOM 0 HA PHE A 108 -4.861 4.285 -6.347 1.00 33.00 H new ATOM 0 HB2 PHE A 108 -5.925 2.267 -7.873 1.00 62.21 H new ATOM 0 HB3 PHE A 108 -4.251 1.750 -7.822 1.00 62.21 H new ATOM 0 HD1 PHE A 108 -4.980 3.262 -4.650 1.00 61.24 H new ATOM 0 HD2 PHE A 108 -5.585 -0.293 -6.976 1.00 14.54 H new ATOM 0 HE1 PHE A 108 -5.696 2.042 -2.615 1.00 13.42 H new ATOM 0 HE2 PHE A 108 -6.426 -1.476 -4.970 1.00 60.14 H new ATOM 0 HZ PHE A 108 -6.490 -0.304 -2.777 1.00 12.40 H new ATOM 1801 N LEU A 109 -2.270 3.708 -6.292 1.00 34.12 N ATOM 1802 CA LEU A 109 -0.801 3.722 -6.362 1.00 31.13 C ATOM 1803 C LEU A 109 -0.238 2.304 -6.185 1.00 1.24 C ATOM 1804 O LEU A 109 -0.260 1.813 -5.055 1.00 51.23 O ATOM 1805 CB LEU A 109 -0.202 4.670 -5.302 1.00 42.31 C ATOM 1806 CG LEU A 109 0.971 5.491 -5.849 1.00 24.12 C ATOM 1807 CD1 LEU A 109 1.611 6.294 -4.711 1.00 4.15 C ATOM 1808 CD2 LEU A 109 2.072 4.695 -6.564 1.00 53.41 C ATOM 0 H LEU A 109 -2.648 3.567 -5.355 1.00 34.12 H new ATOM 0 HA LEU A 109 -0.518 4.091 -7.348 1.00 31.13 H new ATOM 0 HB2 LEU A 109 -0.978 5.345 -4.942 1.00 42.31 H new ATOM 0 HB3 LEU A 109 0.135 4.086 -4.445 1.00 42.31 H new ATOM 0 HG LEU A 109 0.526 6.130 -6.612 1.00 24.12 H new ATOM 0 HD11 LEU A 109 2.445 6.877 -5.101 1.00 4.15 H new ATOM 0 HD12 LEU A 109 0.870 6.966 -4.278 1.00 4.15 H new ATOM 0 HD13 LEU A 109 1.974 5.611 -3.943 1.00 4.15 H new ATOM 0 HD21 LEU A 109 2.849 5.377 -6.909 1.00 53.41 H new ATOM 0 HD22 LEU A 109 2.505 3.971 -5.873 1.00 53.41 H new ATOM 0 HD23 LEU A 109 1.645 4.170 -7.419 1.00 53.41 H new ATOM 1820 N TYR A 110 0.277 1.632 -7.216 1.00 71.45 N ATOM 1821 CA TYR A 110 0.840 0.289 -7.052 1.00 31.01 C ATOM 1822 C TYR A 110 2.313 0.356 -6.615 1.00 43.31 C ATOM 1823 O TYR A 110 3.154 0.952 -7.294 1.00 51.24 O ATOM 1824 CB TYR A 110 0.736 -0.500 -8.358 1.00 64.02 C ATOM 1825 CG TYR A 110 -0.641 -0.902 -8.870 1.00 54.33 C ATOM 1826 CD1 TYR A 110 -1.807 -0.899 -8.071 1.00 62.21 C ATOM 1827 CD2 TYR A 110 -0.729 -1.331 -10.205 1.00 72.12 C ATOM 1828 CE1 TYR A 110 -3.038 -1.311 -8.621 1.00 2.21 C ATOM 1829 CE2 TYR A 110 -1.951 -1.727 -10.766 1.00 13.54 C ATOM 1830 CZ TYR A 110 -3.118 -1.700 -9.978 1.00 40.43 C ATOM 1831 OH TYR A 110 -4.291 -2.120 -10.524 1.00 32.13 O ATOM 0 H TYR A 110 0.316 1.993 -8.169 1.00 71.45 H new ATOM 0 HA TYR A 110 0.265 -0.216 -6.276 1.00 31.01 H new ATOM 0 HB2 TYR A 110 1.218 0.090 -9.138 1.00 64.02 H new ATOM 0 HB3 TYR A 110 1.322 -1.411 -8.239 1.00 64.02 H new ATOM 0 HD1 TYR A 110 -1.755 -0.581 -7.040 1.00 62.21 H new ATOM 0 HD2 TYR A 110 0.164 -1.356 -10.812 1.00 72.12 H new ATOM 0 HE1 TYR A 110 -3.924 -1.330 -8.003 1.00 2.21 H new ATOM 0 HE2 TYR A 110 -1.997 -2.051 -11.795 1.00 13.54 H new ATOM 0 HH TYR A 110 -4.930 -1.377 -10.539 1.00 32.13 H new ATOM 1841 N MET A 111 2.670 -0.282 -5.493 1.00 74.41 N ATOM 1842 CA MET A 111 4.038 -0.306 -4.974 1.00 34.43 C ATOM 1843 C MET A 111 4.394 -1.727 -4.529 1.00 35.30 C ATOM 1844 O MET A 111 3.529 -2.508 -4.107 1.00 4.21 O ATOM 1845 CB MET A 111 4.222 0.730 -3.857 1.00 1.50 C ATOM 1846 CG MET A 111 3.844 2.139 -4.330 1.00 3.40 C ATOM 1847 SD MET A 111 4.032 3.483 -3.133 1.00 3.23 S ATOM 1848 CE MET A 111 5.787 3.354 -2.728 1.00 35.32 C ATOM 0 H MET A 111 2.008 -0.801 -4.916 1.00 74.41 H new ATOM 0 HA MET A 111 4.732 -0.024 -5.765 1.00 34.43 H new ATOM 0 HB2 MET A 111 3.607 0.456 -3.000 1.00 1.50 H new ATOM 0 HB3 MET A 111 5.259 0.724 -3.521 1.00 1.50 H new ATOM 0 HG2 MET A 111 4.449 2.377 -5.205 1.00 3.40 H new ATOM 0 HG3 MET A 111 2.805 2.119 -4.657 1.00 3.40 H new ATOM 0 HE1 MET A 111 6.186 4.347 -2.520 1.00 35.32 H new ATOM 0 HE2 MET A 111 5.912 2.721 -1.849 1.00 35.32 H new ATOM 0 HE3 MET A 111 6.323 2.916 -3.570 1.00 35.32 H new ATOM 1858 N VAL A 112 5.680 -2.073 -4.618 1.00 11.24 N ATOM 1859 CA VAL A 112 6.194 -3.393 -4.274 1.00 60.44 C ATOM 1860 C VAL A 112 7.473 -3.241 -3.453 1.00 0.20 C ATOM 1861 O VAL A 112 8.241 -2.320 -3.715 1.00 51.11 O ATOM 1862 CB VAL A 112 6.454 -4.207 -5.568 1.00 63.21 C ATOM 1863 CG1 VAL A 112 6.365 -5.702 -5.264 1.00 64.44 C ATOM 1864 CG2 VAL A 112 5.491 -3.915 -6.736 1.00 14.12 C ATOM 0 H VAL A 112 6.404 -1.429 -4.937 1.00 11.24 H new ATOM 0 HA VAL A 112 5.461 -3.933 -3.675 1.00 60.44 H new ATOM 0 HB VAL A 112 7.448 -3.898 -5.890 1.00 63.21 H new ATOM 0 HG11 VAL A 112 6.548 -6.270 -6.176 1.00 64.44 H new ATOM 0 HG12 VAL A 112 7.112 -5.966 -4.515 1.00 64.44 H new ATOM 0 HG13 VAL A 112 5.371 -5.937 -4.883 1.00 64.44 H new ATOM 0 HG21 VAL A 112 5.758 -4.535 -7.592 1.00 14.12 H new ATOM 0 HG22 VAL A 112 4.469 -4.140 -6.430 1.00 14.12 H new ATOM 0 HG23 VAL A 112 5.564 -2.863 -7.013 1.00 14.12 H new ATOM 1874 N TYR A 113 7.744 -4.132 -2.493 1.00 0.44 N ATOM 1875 CA TYR A 113 8.953 -4.039 -1.662 1.00 12.24 C ATOM 1876 C TYR A 113 9.764 -5.334 -1.641 1.00 51.11 C ATOM 1877 O TYR A 113 9.189 -6.418 -1.794 1.00 0.23 O ATOM 1878 CB TYR A 113 8.570 -3.612 -0.244 1.00 2.13 C ATOM 1879 CG TYR A 113 7.854 -4.685 0.544 1.00 12.42 C ATOM 1880 CD1 TYR A 113 6.456 -4.786 0.454 1.00 43.54 C ATOM 1881 CD2 TYR A 113 8.585 -5.596 1.335 1.00 34.12 C ATOM 1882 CE1 TYR A 113 5.783 -5.776 1.178 1.00 74.32 C ATOM 1883 CE2 TYR A 113 7.913 -6.581 2.080 1.00 54.34 C ATOM 1884 CZ TYR A 113 6.505 -6.659 2.007 1.00 60.03 C ATOM 1885 OH TYR A 113 5.820 -7.579 2.721 1.00 54.53 O ATOM 0 H TYR A 113 7.144 -4.926 -2.271 1.00 0.44 H new ATOM 0 HA TYR A 113 9.600 -3.285 -2.110 1.00 12.24 H new ATOM 0 HB2 TYR A 113 9.472 -3.320 0.294 1.00 2.13 H new ATOM 0 HB3 TYR A 113 7.933 -2.729 -0.300 1.00 2.13 H new ATOM 0 HD1 TYR A 113 5.902 -4.102 -0.172 1.00 43.54 H new ATOM 0 HD2 TYR A 113 9.663 -5.537 1.368 1.00 34.12 H new ATOM 0 HE1 TYR A 113 4.709 -5.864 1.102 1.00 74.32 H new ATOM 0 HE2 TYR A 113 8.467 -7.270 2.701 1.00 54.34 H new ATOM 0 HH TYR A 113 6.409 -7.971 3.399 1.00 54.53 H new ATOM 1895 N ALA A 114 11.083 -5.214 -1.439 1.00 21.13 N ATOM 1896 CA ALA A 114 12.030 -6.328 -1.370 1.00 54.15 C ATOM 1897 C ALA A 114 13.362 -5.890 -0.741 1.00 44.31 C ATOM 1898 O ALA A 114 13.566 -4.710 -0.444 1.00 24.02 O ATOM 1899 CB ALA A 114 12.309 -6.852 -2.787 1.00 22.32 C ATOM 0 H ALA A 114 11.532 -4.307 -1.315 1.00 21.13 H new ATOM 0 HA ALA A 114 11.586 -7.107 -0.751 1.00 54.15 H new ATOM 0 HB1 ALA A 114 13.014 -7.682 -2.736 1.00 22.32 H new ATOM 0 HB2 ALA A 114 11.378 -7.195 -3.238 1.00 22.32 H new ATOM 0 HB3 ALA A 114 12.733 -6.052 -3.394 1.00 22.32 H new ATOM 1905 N SER A 115 14.288 -6.835 -0.577 1.00 64.33 N ATOM 1906 CA SER A 115 15.623 -6.641 -0.040 1.00 44.53 C ATOM 1907 C SER A 115 16.578 -6.692 -1.240 1.00 40.34 C ATOM 1908 O SER A 115 17.250 -7.702 -1.451 1.00 1.24 O ATOM 1909 CB SER A 115 15.905 -7.759 0.984 1.00 14.14 C ATOM 1910 OG SER A 115 17.232 -7.700 1.492 1.00 53.21 O ATOM 0 H SER A 115 14.111 -7.807 -0.831 1.00 64.33 H new ATOM 0 HA SER A 115 15.745 -5.691 0.480 1.00 44.53 H new ATOM 0 HB2 SER A 115 15.198 -7.680 1.810 1.00 14.14 H new ATOM 0 HB3 SER A 115 15.740 -8.729 0.515 1.00 14.14 H new ATOM 0 HG SER A 115 17.368 -8.424 2.138 1.00 53.21 H new ATOM 1916 N GLN A 116 16.649 -5.609 -2.012 1.00 11.34 N ATOM 1917 CA GLN A 116 17.485 -5.401 -3.192 1.00 24.22 C ATOM 1918 C GLN A 116 17.353 -3.910 -3.494 1.00 43.10 C ATOM 1919 O GLN A 116 16.239 -3.392 -3.428 1.00 54.31 O ATOM 1920 CB GLN A 116 16.974 -6.215 -4.406 1.00 64.03 C ATOM 1921 CG GLN A 116 17.731 -7.520 -4.687 1.00 34.02 C ATOM 1922 CD GLN A 116 19.183 -7.235 -5.025 1.00 71.25 C ATOM 1923 OE1 GLN A 116 20.093 -7.417 -4.221 1.00 15.42 O ATOM 1924 NE2 GLN A 116 19.455 -6.740 -6.215 1.00 21.34 N ATOM 0 H GLN A 116 16.077 -4.789 -1.812 1.00 11.34 H new ATOM 0 HA GLN A 116 18.511 -5.721 -3.011 1.00 24.22 H new ATOM 0 HB2 GLN A 116 15.922 -6.452 -4.247 1.00 64.03 H new ATOM 0 HB3 GLN A 116 17.028 -5.585 -5.294 1.00 64.03 H new ATOM 0 HG2 GLN A 116 17.676 -8.173 -3.816 1.00 34.02 H new ATOM 0 HG3 GLN A 116 17.257 -8.051 -5.513 1.00 34.02 H new ATOM 0 HE21 GLN A 116 18.704 -6.586 -6.887 1.00 21.34 H new ATOM 0 HE22 GLN A 116 20.417 -6.510 -6.464 1.00 21.34 H new ATOM 1933 N GLU A 117 18.440 -3.204 -3.794 1.00 44.42 N ATOM 1934 CA GLU A 117 18.358 -1.776 -4.097 1.00 20.33 C ATOM 1935 C GLU A 117 17.770 -1.585 -5.501 1.00 23.02 C ATOM 1936 O GLU A 117 17.071 -0.605 -5.768 1.00 35.23 O ATOM 1937 CB GLU A 117 19.740 -1.138 -3.895 1.00 43.40 C ATOM 1938 CG GLU A 117 19.714 0.407 -3.867 1.00 73.43 C ATOM 1939 CD GLU A 117 20.708 1.039 -2.869 1.00 21.15 C ATOM 1940 OE1 GLU A 117 21.705 0.391 -2.456 1.00 44.20 O ATOM 1941 OE2 GLU A 117 20.493 2.205 -2.458 1.00 53.10 O ATOM 0 H GLU A 117 19.382 -3.593 -3.834 1.00 44.42 H new ATOM 0 HA GLU A 117 17.681 -1.260 -3.416 1.00 20.33 H new ATOM 0 HB2 GLU A 117 20.165 -1.502 -2.960 1.00 43.40 H new ATOM 0 HB3 GLU A 117 20.403 -1.467 -4.696 1.00 43.40 H new ATOM 0 HG2 GLU A 117 19.933 0.781 -4.867 1.00 73.43 H new ATOM 0 HG3 GLU A 117 18.706 0.738 -3.617 1.00 73.43 H new ATOM 1948 N THR A 118 18.063 -2.506 -6.417 1.00 64.24 N ATOM 1949 CA THR A 118 17.586 -2.514 -7.792 1.00 32.45 C ATOM 1950 C THR A 118 17.403 -3.986 -8.192 1.00 75.10 C ATOM 1951 O THR A 118 18.087 -4.847 -7.636 1.00 55.14 O ATOM 1952 CB THR A 118 18.574 -1.695 -8.643 1.00 33.05 C ATOM 1953 OG1 THR A 118 18.012 -1.256 -9.861 1.00 75.24 O ATOM 1954 CG2 THR A 118 19.918 -2.373 -8.900 1.00 35.02 C ATOM 0 H THR A 118 18.667 -3.301 -6.208 1.00 64.24 H new ATOM 0 HA THR A 118 16.618 -2.035 -7.942 1.00 32.45 H new ATOM 0 HB THR A 118 18.783 -0.827 -8.018 1.00 33.05 H new ATOM 0 HG1 THR A 118 18.678 -0.741 -10.362 1.00 75.24 H new ATOM 0 HG21 THR A 118 20.545 -1.720 -9.507 1.00 35.02 H new ATOM 0 HG22 THR A 118 20.413 -2.571 -7.949 1.00 35.02 H new ATOM 0 HG23 THR A 118 19.756 -3.313 -9.427 1.00 35.02 H new ATOM 1962 N PHE A 119 16.479 -4.300 -9.101 1.00 0.55 N ATOM 1963 CA PHE A 119 16.261 -5.675 -9.540 1.00 71.41 C ATOM 1964 C PHE A 119 17.211 -5.938 -10.687 1.00 62.41 C ATOM 1965 O PHE A 119 16.959 -5.423 -11.800 1.00 22.40 O ATOM 1966 CB PHE A 119 14.797 -5.901 -9.933 1.00 63.05 C ATOM 1967 CG PHE A 119 13.837 -5.812 -8.765 1.00 33.32 C ATOM 1968 CD1 PHE A 119 13.917 -6.750 -7.719 1.00 15.42 C ATOM 1969 CD2 PHE A 119 12.888 -4.777 -8.698 1.00 14.52 C ATOM 1970 CE1 PHE A 119 13.049 -6.648 -6.619 1.00 35.14 C ATOM 1971 CE2 PHE A 119 11.998 -4.695 -7.613 1.00 61.33 C ATOM 1972 CZ PHE A 119 12.074 -5.637 -6.574 1.00 14.41 C ATOM 0 H PHE A 119 15.868 -3.616 -9.548 1.00 0.55 H new ATOM 0 HA PHE A 119 16.462 -6.378 -8.731 1.00 71.41 H new ATOM 0 HB2 PHE A 119 14.513 -5.164 -10.684 1.00 63.05 H new ATOM 0 HB3 PHE A 119 14.701 -6.882 -10.398 1.00 63.05 H new ATOM 0 HD1 PHE A 119 14.645 -7.547 -7.762 1.00 15.42 H new ATOM 0 HD2 PHE A 119 12.842 -4.040 -9.486 1.00 14.52 H new ATOM 0 HE1 PHE A 119 13.132 -7.351 -5.803 1.00 35.14 H new ATOM 0 HE2 PHE A 119 11.258 -3.910 -7.578 1.00 61.33 H new ATOM 0 HZ PHE A 119 11.386 -5.585 -5.743 1.00 14.41 H new ATOM 2101 N PHE B 178 -8.574 -1.139 4.385 1.00 1.33 N ATOM 2102 CA PHE B 178 -7.401 -0.284 4.340 1.00 2.23 C ATOM 2103 C PHE B 178 -6.771 -0.139 5.719 1.00 33.33 C ATOM 2104 O PHE B 178 -7.400 -0.456 6.729 1.00 63.24 O ATOM 2105 CB PHE B 178 -7.829 1.108 3.854 1.00 64.44 C ATOM 2106 CG PHE B 178 -8.373 1.143 2.447 1.00 4.43 C ATOM 2107 CD1 PHE B 178 -9.703 0.764 2.178 1.00 54.34 C ATOM 2108 CD2 PHE B 178 -7.522 1.533 1.401 1.00 34.02 C ATOM 2109 CE1 PHE B 178 -10.154 0.705 0.850 1.00 74.23 C ATOM 2110 CE2 PHE B 178 -7.983 1.502 0.080 1.00 63.35 C ATOM 2111 CZ PHE B 178 -9.287 1.069 -0.190 1.00 63.03 C ATOM 0 HA PHE B 178 -6.670 -0.733 3.667 1.00 2.23 H new ATOM 0 HB2 PHE B 178 -8.588 1.498 4.533 1.00 64.44 H new ATOM 0 HB3 PHE B 178 -6.972 1.779 3.915 1.00 64.44 H new ATOM 0 HD1 PHE B 178 -10.372 0.520 2.990 1.00 54.34 H new ATOM 0 HD2 PHE B 178 -6.514 1.856 1.615 1.00 34.02 H new ATOM 0 HE1 PHE B 178 -11.161 0.382 0.631 1.00 74.23 H new ATOM 0 HE2 PHE B 178 -7.336 1.811 -0.728 1.00 63.35 H new ATOM 0 HZ PHE B 178 -9.629 1.015 -1.213 1.00 63.03 H new ATOM 2121 N VAL B 179 -5.519 0.315 5.753 1.00 0.31 N ATOM 2122 CA VAL B 179 -4.779 0.556 6.977 1.00 55.01 C ATOM 2123 C VAL B 179 -4.139 1.941 6.927 1.00 75.25 C ATOM 2124 O VAL B 179 -3.245 2.198 6.118 1.00 73.45 O ATOM 2125 CB VAL B 179 -3.851 -0.617 7.326 1.00 63.25 C ATOM 2126 CG1 VAL B 179 -2.817 -1.007 6.272 1.00 11.41 C ATOM 2127 CG2 VAL B 179 -3.155 -0.371 8.665 1.00 73.33 C ATOM 0 H VAL B 179 -4.986 0.528 4.910 1.00 0.31 H new ATOM 0 HA VAL B 179 -5.455 0.586 7.832 1.00 55.01 H new ATOM 0 HB VAL B 179 -4.525 -1.472 7.379 1.00 63.25 H new ATOM 0 HG11 VAL B 179 -2.224 -1.846 6.637 1.00 11.41 H new ATOM 0 HG12 VAL B 179 -3.326 -1.295 5.352 1.00 11.41 H new ATOM 0 HG13 VAL B 179 -2.162 -0.159 6.074 1.00 11.41 H new ATOM 0 HG21 VAL B 179 -2.502 -1.213 8.896 1.00 73.33 H new ATOM 0 HG22 VAL B 179 -2.563 0.542 8.605 1.00 73.33 H new ATOM 0 HG23 VAL B 179 -3.904 -0.267 9.450 1.00 73.33 H new ATOM 2137 N GLU B 180 -4.639 2.883 7.720 1.00 42.41 N ATOM 2138 CA GLU B 180 -4.060 4.214 7.738 1.00 33.33 C ATOM 2139 C GLU B 180 -2.709 4.211 8.438 1.00 32.24 C ATOM 2140 O GLU B 180 -2.379 3.333 9.247 1.00 51.41 O ATOM 2141 CB GLU B 180 -4.991 5.302 8.300 1.00 34.32 C ATOM 2142 CG GLU B 180 -5.211 5.215 9.815 1.00 44.05 C ATOM 2143 CD GLU B 180 -5.931 6.434 10.416 1.00 55.35 C ATOM 2144 OE1 GLU B 180 -5.715 7.589 9.974 1.00 54.35 O ATOM 2145 OE2 GLU B 180 -6.686 6.220 11.390 1.00 32.21 O ATOM 0 H GLU B 180 -5.432 2.750 8.348 1.00 42.41 H new ATOM 0 HA GLU B 180 -3.911 4.486 6.693 1.00 33.33 H new ATOM 0 HB2 GLU B 180 -4.576 6.281 8.059 1.00 34.32 H new ATOM 0 HB3 GLU B 180 -5.956 5.234 7.799 1.00 34.32 H new ATOM 0 HG2 GLU B 180 -5.790 4.319 10.036 1.00 44.05 H new ATOM 0 HG3 GLU B 180 -4.245 5.099 10.306 1.00 44.05 H new ATOM 2152 N ILE B 181 -1.910 5.204 8.076 1.00 44.25 N ATOM 2153 CA ILE B 181 -0.605 5.398 8.666 1.00 3.00 C ATOM 2154 C ILE B 181 -0.877 6.029 10.046 1.00 62.10 C ATOM 2155 O ILE B 181 -1.959 6.542 10.333 1.00 23.10 O ATOM 2156 CB ILE B 181 0.235 6.260 7.690 1.00 13.21 C ATOM 2157 CG1 ILE B 181 1.185 5.335 6.905 1.00 75.33 C ATOM 2158 CG2 ILE B 181 0.993 7.431 8.322 1.00 0.13 C ATOM 2159 CD1 ILE B 181 2.119 6.107 5.971 1.00 40.20 C ATOM 0 H ILE B 181 -2.153 5.894 7.365 1.00 44.25 H new ATOM 0 HA ILE B 181 -0.019 4.492 8.822 1.00 3.00 H new ATOM 0 HB ILE B 181 -0.476 6.749 7.024 1.00 13.21 H new ATOM 0 HG12 ILE B 181 1.780 4.751 7.607 1.00 75.33 H new ATOM 0 HG13 ILE B 181 0.597 4.627 6.321 1.00 75.33 H new ATOM 0 HG21 ILE B 181 1.546 7.965 7.550 1.00 0.13 H new ATOM 0 HG22 ILE B 181 0.284 8.110 8.796 1.00 0.13 H new ATOM 0 HG23 ILE B 181 1.689 7.052 9.071 1.00 0.13 H new ATOM 0 HD11 ILE B 181 2.766 5.407 5.443 1.00 40.20 H new ATOM 0 HD12 ILE B 181 1.528 6.670 5.249 1.00 40.20 H new ATOM 0 HD13 ILE B 181 2.730 6.796 6.555 1.00 40.20 H new ATOM 2171 N ARG B 182 0.098 5.904 10.936 1.00 42.00 N ATOM 2172 CA ARG B 182 0.091 6.410 12.304 1.00 3.12 C ATOM 2173 C ARG B 182 1.315 7.301 12.446 1.00 74.50 C ATOM 2174 O ARG B 182 2.184 7.225 11.585 1.00 41.01 O ATOM 2175 CB ARG B 182 0.165 5.206 13.261 1.00 74.52 C ATOM 2176 CG ARG B 182 -1.113 4.342 13.291 1.00 54.12 C ATOM 2177 CD ARG B 182 -2.331 5.088 13.844 1.00 40.01 C ATOM 2178 NE ARG B 182 -2.093 5.537 15.227 1.00 2.20 N ATOM 2179 CZ ARG B 182 -2.279 4.856 16.364 1.00 40.15 C ATOM 2180 NH1 ARG B 182 -3.025 3.757 16.407 1.00 21.20 N ATOM 2181 NH2 ARG B 182 -1.688 5.284 17.469 1.00 42.35 N ATOM 0 H ARG B 182 0.966 5.418 10.710 1.00 42.00 H new ATOM 0 HA ARG B 182 -0.809 6.979 12.538 1.00 3.12 H new ATOM 0 HB2 ARG B 182 1.008 4.578 12.972 1.00 74.52 H new ATOM 0 HB3 ARG B 182 0.368 5.569 14.268 1.00 74.52 H new ATOM 0 HG2 ARG B 182 -1.334 3.996 12.281 1.00 54.12 H new ATOM 0 HG3 ARG B 182 -0.931 3.456 13.899 1.00 54.12 H new ATOM 0 HD2 ARG B 182 -2.553 5.948 13.212 1.00 40.01 H new ATOM 0 HD3 ARG B 182 -3.205 4.437 13.815 1.00 40.01 H new ATOM 0 HE ARG B 182 -1.741 6.489 15.331 1.00 2.20 H new ATOM 0 HH11 ARG B 182 -3.474 3.412 15.559 1.00 21.20 H new ATOM 0 HH12 ARG B 182 -3.149 3.259 17.288 1.00 21.20 H new ATOM 0 HH21 ARG B 182 -1.103 6.119 17.444 1.00 42.35 H new ATOM 0 HH22 ARG B 182 -1.818 4.778 18.345 1.00 42.35 H new